data_17918 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17918 _Entry.PDB_ID 2LJ4 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 17918 _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 SER N N 5 117.478 117.478 116.684 0.794 17918 2 1 1 . 1 1 2 2 SER HA H 5 4.393 4.393 4.329 0.064 17918 3 1 1 . 1 1 2 2 SER C C 5 175.466 175.466 175.486 -0.020 17918 4 1 1 . 1 1 2 2 SER CA C 5 59.622 59.622 59.853 -0.231 17918 5 1 1 . 1 1 2 2 SER CB C 5 64.896 64.896 63.469 1.427 17918 6 1 1 . 1 1 2 2 SER H H 5 8.317 8.317 8.246 0.071 17918 7 1 1 . 1 1 3 3 GLU N N 6 123.783 123.783 117.451 6.332 17918 8 1 1 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.533 -0.255 17918 9 1 1 . 1 1 3 3 GLU C C 6 177.189 177.189 175.939 1.250 17918 10 1 1 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.591 2.200 17918 11 1 1 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.718 0.850 17918 12 1 1 . 1 1 3 3 GLU H H 6 8.359 8.359 8.151 0.208 17918 13 1 1 . 1 1 4 4 LYS N N 7 122.875 122.875 122.267 0.608 17918 14 1 1 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.896 -0.382 17918 15 1 1 . 1 1 4 4 LYS C C 7 176.557 176.557 175.299 1.258 17918 16 1 1 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.824 0.002 17918 17 1 1 . 1 1 4 4 LYS CB C 7 35.393 35.393 33.242 2.151 17918 18 1 1 . 1 1 4 4 LYS H H 7 8.193 8.193 7.861 0.332 17918 19 1 1 . 1 1 5 5 LEU N N 8 123.258 123.258 121.794 1.464 17918 20 1 1 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.815 -0.421 17918 21 1 1 . 1 1 5 5 LEU C C 8 175.699 175.699 173.610 2.089 17918 22 1 1 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.819 0.723 17918 23 1 1 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.662 -0.150 17918 24 1 1 . 1 1 5 5 LEU H H 8 8.265 8.265 8.937 -0.672 17918 25 1 1 . 1 1 6 6 ARG N N 9 117.197 117.197 119.626 -2.429 17918 26 1 1 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.675 0.929 17918 27 1 1 . 1 1 6 6 ARG C C 9 175.633 175.633 173.567 2.066 17918 28 1 1 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.220 1.955 17918 29 1 1 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.046 2.374 17918 30 1 1 . 1 1 6 6 ARG H H 9 7.759 7.759 8.434 -0.675 17918 31 1 1 . 1 1 7 7 ALA N N 10 126.954 126.954 128.186 -1.232 17918 32 1 1 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.084 0.056 17918 33 1 1 . 1 1 7 7 ALA C C 10 174.004 174.004 175.053 -1.049 17918 34 1 1 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.582 0.285 17918 35 1 1 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.851 2.156 17918 36 1 1 . 1 1 7 7 ALA H H 10 7.637 7.637 8.568 -0.931 17918 37 1 1 . 1 1 8 8 ALA N N 11 122.081 122.081 125.170 -3.089 17918 38 1 1 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.623 1.167 17918 39 1 1 . 1 1 8 8 ALA C C 11 177.446 177.446 175.528 1.918 17918 40 1 1 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.472 -0.196 17918 41 1 1 . 1 1 8 8 ALA CB C 11 23.621 23.621 21.109 2.512 17918 42 1 1 . 1 1 8 8 ALA H H 11 8.991 8.991 8.237 0.754 17918 43 1 1 . 1 1 9 9 HIS N N 12 118.002 118.002 118.959 -0.957 17918 44 1 1 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.206 0.923 17918 45 1 1 . 1 1 9 9 HIS C C 12 172.689 172.689 172.673 0.016 17918 46 1 1 . 1 1 9 9 HIS CA C 12 55.096 55.096 54.201 0.895 17918 47 1 1 . 1 1 9 9 HIS CB C 12 38.732 38.732 32.910 5.822 17918 48 1 1 . 1 1 9 9 HIS H H 12 9.489 9.489 7.940 1.549 17918 49 1 1 . 1 1 10 10 LEU N N 13 126.276 126.276 120.032 6.244 17918 50 1 1 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.976 -1.070 17918 51 1 1 . 1 1 10 10 LEU C C 13 174.163 174.163 174.831 -0.668 17918 52 1 1 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.694 3.009 17918 53 1 1 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.476 -0.909 17918 54 1 1 . 1 1 10 10 LEU H H 13 8.866 8.866 9.263 -0.397 17918 55 1 1 . 1 1 11 11 LEU N N 14 127.134 127.134 125.708 1.426 17918 56 1 1 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.641 -0.903 17918 57 1 1 . 1 1 11 11 LEU C C 14 175.626 175.626 174.583 1.043 17918 58 1 1 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.398 0.205 17918 59 1 1 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.526 0.169 17918 60 1 1 . 1 1 11 11 LEU H H 14 7.762 7.762 8.582 -0.820 17918 61 1 1 . 1 1 12 12 VAL N N 15 129.450 129.450 128.265 1.185 17918 62 1 1 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.718 -0.308 17918 63 1 1 . 1 1 12 12 VAL C C 15 177.055 177.055 175.060 1.995 17918 64 1 1 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.850 1.991 17918 65 1 1 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.076 1.313 17918 66 1 1 . 1 1 12 12 VAL H H 15 9.667 9.667 9.139 0.528 17918 67 1 1 . 1 1 13 13 LYS N N 16 127.188 127.188 129.077 -1.889 17918 68 1 1 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.447 0.035 17918 69 1 1 . 1 1 13 13 LYS C C 16 176.034 176.034 175.759 0.275 17918 70 1 1 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.258 2.908 17918 71 1 1 . 1 1 13 13 LYS CB C 16 37.794 37.794 32.876 4.918 17918 72 1 1 . 1 1 13 13 LYS H H 16 9.138 9.138 9.823 -0.685 17918 73 1 1 . 1 1 14 14 PHE N N 17 117.138 117.138 122.454 -5.316 17918 74 1 1 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.962 0.292 17918 75 1 1 . 1 1 14 14 PHE C C 17 176.588 176.588 176.790 -0.202 17918 76 1 1 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.511 2.077 17918 77 1 1 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.735 0.624 17918 78 1 1 . 1 1 14 14 PHE H H 17 8.617 8.617 8.066 0.551 17918 79 1 1 . 1 1 15 15 SER N N 18 120.047 120.047 117.751 2.296 17918 80 1 1 . 1 1 15 15 SER HA H 18 4.019 4.019 4.420 -0.401 17918 81 1 1 . 1 1 15 15 SER C C 18 180.099 180.099 176.233 3.866 17918 82 1 1 . 1 1 15 15 SER CA C 18 62.865 62.865 61.094 1.771 17918 83 1 1 . 1 1 15 15 SER CB C 18 64.300 64.300 63.286 1.014 17918 84 1 1 . 1 1 15 15 SER H H 18 9.437 9.437 9.209 0.228 17918 85 1 1 . 1 1 16 16 GLY C C 19 175.458 175.458 174.623 0.835 17918 86 1 1 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.492 1.290 17918 87 1 1 . 1 1 17 17 SER N N 20 120.550 120.550 114.945 5.605 17918 88 1 1 . 1 1 17 17 SER HA H 20 3.839 3.839 3.837 0.002 17918 89 1 1 . 1 1 17 17 SER C C 20 174.702 174.702 175.180 -0.478 17918 90 1 1 . 1 1 17 17 SER CA C 20 62.099 62.099 58.431 3.668 17918 91 1 1 . 1 1 17 17 SER CB C 20 65.081 65.081 64.015 1.066 17918 92 1 1 . 1 1 17 17 SER H H 20 7.236 7.236 7.435 -0.199 17918 93 1 1 . 1 1 18 18 ARG N N 21 123.998 123.998 120.991 3.007 17918 94 1 1 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.060 0.003 17918 95 1 1 . 1 1 18 18 ARG C C 21 177.005 177.005 176.612 0.393 17918 96 1 1 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.193 1.402 17918 97 1 1 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.471 -0.365 17918 98 1 1 . 1 1 18 18 ARG H H 21 8.544 8.544 8.346 0.198 17918 99 1 1 . 1 1 19 19 ASN N N 22 116.403 116.403 116.565 -0.162 17918 100 1 1 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.064 0.200 17918 101 1 1 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.597 0.223 17918 102 1 1 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.162 1.334 17918 103 1 1 . 1 1 19 19 ASN H H 22 8.412 8.412 7.915 0.497 17918 104 1 1 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.636 -0.298 17918 105 1 1 . 1 1 20 20 PRO C C 23 176.381 176.381 175.588 0.793 17918 106 1 1 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.325 2.239 17918 107 1 1 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.122 -0.812 17918 108 1 1 . 1 1 21 21 VAL N N 24 126.905 126.905 116.228 10.677 17918 109 1 1 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.349 -0.001 17918 110 1 1 . 1 1 21 21 VAL C C 24 176.393 176.393 174.136 2.257 17918 111 1 1 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.940 2.899 17918 112 1 1 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.884 0.102 17918 113 1 1 . 1 1 21 21 VAL H H 24 8.810 8.810 7.653 1.157 17918 114 1 1 . 1 1 22 22 SER N N 25 121.164 121.164 118.551 2.613 17918 115 1 1 . 1 1 22 22 SER HA H 25 4.296 4.296 4.860 -0.564 17918 116 1 1 . 1 1 22 22 SER C C 25 178.264 178.264 175.293 2.971 17918 117 1 1 . 1 1 22 22 SER CA C 25 59.682 59.682 55.910 3.772 17918 118 1 1 . 1 1 22 22 SER CB C 25 64.553 64.553 65.328 -0.775 17918 119 1 1 . 1 1 22 22 SER H H 25 8.657 8.657 7.939 0.718 17918 120 1 1 . 1 1 23 23 ARG N N 26 129.578 129.578 125.578 4.000 17918 121 1 1 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.057 0.287 17918 122 1 1 . 1 1 23 23 ARG C C 26 176.541 176.541 177.850 -1.309 17918 123 1 1 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.725 0.534 17918 124 1 1 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.718 0.164 17918 125 1 1 . 1 1 23 23 ARG H H 26 8.837 8.837 9.573 -0.736 17918 126 1 1 . 1 1 24 24 ARG N N 27 119.514 119.514 115.904 3.610 17918 127 1 1 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.164 -0.374 17918 128 1 1 . 1 1 24 24 ARG C C 27 177.905 177.905 177.353 0.552 17918 129 1 1 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.383 0.434 17918 130 1 1 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.674 2.390 17918 131 1 1 . 1 1 24 24 ARG H H 27 7.439 7.439 7.899 -0.460 17918 132 1 1 . 1 1 25 25 THR N N 28 127.221 127.221 107.243 19.978 17918 133 1 1 . 1 1 25 25 THR HA H 28 4.258 4.258 4.372 -0.114 17918 134 1 1 . 1 1 25 25 THR C C 28 177.078 177.078 175.882 1.196 17918 135 1 1 . 1 1 25 25 THR CA C 28 62.291 62.291 62.228 0.063 17918 136 1 1 . 1 1 25 25 THR CB C 28 71.224 71.224 70.739 0.485 17918 137 1 1 . 1 1 25 25 THR H H 28 7.088 7.088 7.242 -0.154 17918 138 1 1 . 1 1 26 26 GLY N N 29 110.483 110.483 111.151 -0.668 17918 139 1 1 . 1 1 26 26 GLY C C 29 174.471 174.471 173.816 0.655 17918 140 1 1 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.684 0.785 17918 141 1 1 . 1 1 26 26 GLY H H 29 7.678 7.678 8.658 -0.980 17918 142 1 1 . 1 1 27 27 ASP N N 30 120.302 120.302 119.015 1.287 17918 143 1 1 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.866 -0.103 17918 144 1 1 . 1 1 27 27 ASP C C 30 177.147 177.147 174.850 2.297 17918 145 1 1 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.234 0.529 17918 146 1 1 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.420 0.529 17918 147 1 1 . 1 1 27 27 ASP H H 30 8.128 8.128 8.157 -0.029 17918 148 1 1 . 1 1 28 28 SER N N 31 113.726 113.726 113.622 0.104 17918 149 1 1 . 1 1 28 28 SER HA H 31 4.629 4.629 5.030 -0.401 17918 150 1 1 . 1 1 28 28 SER C C 31 178.127 178.127 173.054 5.073 17918 151 1 1 . 1 1 28 28 SER CA C 31 58.869 58.869 57.679 1.190 17918 152 1 1 . 1 1 28 28 SER CB C 31 64.796 64.796 66.942 -2.146 17918 153 1 1 . 1 1 28 28 SER H H 31 8.633 8.633 7.733 0.900 17918 154 1 1 . 1 1 29 29 THR N N 32 120.655 120.655 116.555 4.100 17918 155 1 1 . 1 1 29 29 THR HA H 32 4.589 4.589 4.602 -0.013 17918 156 1 1 . 1 1 29 29 THR C C 32 176.368 176.368 173.745 2.623 17918 157 1 1 . 1 1 29 29 THR CA C 32 62.892 62.892 61.182 1.710 17918 158 1 1 . 1 1 29 29 THR CB C 32 69.624 69.624 68.626 0.998 17918 159 1 1 . 1 1 29 29 THR H H 32 8.397 8.397 8.898 -0.501 17918 160 1 1 . 1 1 30 30 ALA N N 33 124.923 124.923 123.246 1.677 17918 161 1 1 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.358 -0.563 17918 162 1 1 . 1 1 30 30 ALA C C 33 177.708 177.708 176.127 1.581 17918 163 1 1 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.513 3.315 17918 164 1 1 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.984 1.865 17918 165 1 1 . 1 1 30 30 ALA H H 33 8.251 8.251 8.543 -0.292 17918 166 1 1 . 1 1 31 31 ASP N N 34 114.016 114.016 118.131 -4.115 17918 167 1 1 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.667 0.064 17918 168 1 1 . 1 1 31 31 ASP C C 34 176.973 176.973 176.377 0.596 17918 169 1 1 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.513 0.068 17918 170 1 1 . 1 1 31 31 ASP CB C 34 41.900 41.900 43.008 -1.107 17918 171 1 1 . 1 1 31 31 ASP H H 34 8.398 8.398 8.023 0.375 17918 172 1 1 . 1 1 32 32 VAL N N 35 123.637 123.637 120.131 3.506 17918 173 1 1 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.438 -0.178 17918 174 1 1 . 1 1 32 32 VAL C C 35 177.725 177.725 174.427 3.298 17918 175 1 1 . 1 1 32 32 VAL CA C 35 63.492 63.492 59.675 3.817 17918 176 1 1 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.447 -0.690 17918 177 1 1 . 1 1 32 32 VAL H H 35 7.323 7.323 7.467 -0.144 17918 178 1 1 . 1 1 33 33 THR N N 36 121.552 121.552 115.967 5.585 17918 179 1 1 . 1 1 33 33 THR HA H 36 4.642 4.642 4.710 -0.068 17918 180 1 1 . 1 1 33 33 THR C C 36 176.268 176.268 175.568 0.700 17918 181 1 1 . 1 1 33 33 THR CA C 36 62.597 62.597 59.708 2.889 17918 182 1 1 . 1 1 33 33 THR CB C 36 72.388 72.388 71.502 0.886 17918 183 1 1 . 1 1 33 33 THR H H 36 9.078 9.078 7.883 1.195 17918 184 1 1 . 1 1 34 34 TYR N N 37 122.486 122.486 120.169 2.317 17918 185 1 1 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.876 -0.442 17918 186 1 1 . 1 1 34 34 TYR C C 37 177.216 177.216 177.245 -0.029 17918 187 1 1 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.328 2.713 17918 188 1 1 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.389 3.104 17918 189 1 1 . 1 1 34 34 TYR H H 37 9.247 9.247 8.802 0.445 17918 190 1 1 . 1 1 35 35 GLU N N 38 116.626 116.626 119.964 -3.338 17918 191 1 1 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.570 0.109 17918 192 1 1 . 1 1 35 35 GLU C C 38 180.453 180.453 178.997 1.456 17918 193 1 1 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.548 1.897 17918 194 1 1 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.761 1.398 17918 195 1 1 . 1 1 35 35 GLU H H 38 8.782 8.782 7.868 0.914 17918 196 1 1 . 1 1 36 36 ASP N N 39 120.670 120.670 119.992 0.678 17918 197 1 1 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.353 0.019 17918 198 1 1 . 1 1 36 36 ASP C C 39 180.015 180.015 178.481 1.534 17918 199 1 1 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.285 0.934 17918 200 1 1 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.713 0.521 17918 201 1 1 . 1 1 36 36 ASP H H 39 7.916 7.916 8.128 -0.212 17918 202 1 1 . 1 1 37 37 ALA N N 40 126.126 126.126 123.100 3.026 17918 203 1 1 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.097 -0.257 17918 204 1 1 . 1 1 37 37 ALA C C 40 179.923 179.923 179.464 0.459 17918 205 1 1 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.249 1.096 17918 206 1 1 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.588 1.265 17918 207 1 1 . 1 1 37 37 ALA H H 40 8.318 8.318 8.270 0.048 17918 208 1 1 . 1 1 38 38 ILE N N 41 118.850 118.850 119.125 -0.275 17918 209 1 1 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.607 -0.139 17918 210 1 1 . 1 1 38 38 ILE C C 41 179.106 179.106 177.799 1.307 17918 211 1 1 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.185 -0.806 17918 212 1 1 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.836 -0.545 17918 213 1 1 . 1 1 38 38 ILE H H 41 8.151 8.151 8.227 -0.076 17918 214 1 1 . 1 1 39 39 LYS N N 42 120.585 120.585 119.597 0.988 17918 215 1 1 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.837 0.147 17918 216 1 1 . 1 1 39 39 LYS C C 42 180.883 180.883 178.405 2.478 17918 217 1 1 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.341 0.544 17918 218 1 1 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.144 1.397 17918 219 1 1 . 1 1 39 39 LYS H H 42 7.519 7.519 8.135 -0.616 17918 220 1 1 . 1 1 40 40 GLU N N 43 121.167 121.167 119.674 1.493 17918 221 1 1 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.035 0.281 17918 222 1 1 . 1 1 40 40 GLU C C 43 179.969 179.969 178.770 1.199 17918 223 1 1 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.289 0.717 17918 224 1 1 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.194 1.547 17918 225 1 1 . 1 1 40 40 GLU H H 43 7.911 7.911 7.426 0.485 17918 226 1 1 . 1 1 41 41 LEU N N 44 121.081 121.081 120.007 1.074 17918 227 1 1 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.161 0.030 17918 228 1 1 . 1 1 41 41 LEU C C 44 180.778 180.778 179.472 1.306 17918 229 1 1 . 1 1 41 41 LEU CA C 44 58.933 58.933 57.870 1.063 17918 230 1 1 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.441 1.444 17918 231 1 1 . 1 1 41 41 LEU H H 44 8.424 8.424 7.775 0.649 17918 232 1 1 . 1 1 42 42 GLN N N 45 121.129 121.129 119.126 2.003 17918 233 1 1 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.126 -0.097 17918 234 1 1 . 1 1 42 42 GLN C C 45 179.911 179.911 178.987 0.924 17918 235 1 1 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.722 1.637 17918 236 1 1 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.347 0.675 17918 237 1 1 . 1 1 42 42 GLN H H 45 8.971 8.971 8.554 0.417 17918 238 1 1 . 1 1 43 43 LYS N N 46 121.830 121.830 120.564 1.266 17918 239 1 1 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.922 0.085 17918 240 1 1 . 1 1 43 43 LYS C C 46 180.898 180.898 178.742 2.156 17918 241 1 1 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.256 1.388 17918 242 1 1 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.002 0.463 17918 243 1 1 . 1 1 43 43 LYS H H 46 7.769 7.769 7.542 0.227 17918 244 1 1 . 1 1 44 44 TRP N N 47 119.737 119.737 120.935 -1.198 17918 245 1 1 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.254 -0.298 17918 246 1 1 . 1 1 44 44 TRP C C 47 179.173 179.173 178.536 0.637 17918 247 1 1 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.840 3.206 17918 248 1 1 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.507 0.108 17918 249 1 1 . 1 1 44 44 TRP H H 47 8.002 8.002 8.112 -0.110 17918 250 1 1 . 1 1 45 45 SER N N 48 114.940 114.940 113.651 1.289 17918 251 1 1 . 1 1 45 45 SER HA H 48 4.072 4.072 4.048 0.024 17918 252 1 1 . 1 1 45 45 SER C C 48 178.249 178.249 177.007 1.242 17918 253 1 1 . 1 1 45 45 SER CA C 48 63.707 63.707 61.526 2.180 17918 254 1 1 . 1 1 45 45 SER H H 48 8.901 8.901 8.863 0.038 17918 255 1 1 . 1 1 46 46 GLN N N 49 121.411 121.411 122.501 -1.090 17918 256 1 1 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.049 0.148 17918 257 1 1 . 1 1 46 46 GLN C C 49 179.809 179.809 177.926 1.883 17918 258 1 1 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.876 0.983 17918 259 1 1 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.696 0.497 17918 260 1 1 . 1 1 46 46 GLN H H 49 7.950 7.950 7.621 0.329 17918 261 1 1 . 1 1 47 47 ARG N N 50 121.809 121.809 120.109 1.700 17918 262 1 1 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.368 -0.317 17918 263 1 1 . 1 1 47 47 ARG C C 50 179.464 179.464 179.301 0.163 17918 264 1 1 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.622 1.425 17918 265 1 1 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.484 1.509 17918 266 1 1 . 1 1 47 47 ARG H H 50 7.834 7.834 8.180 -0.346 17918 267 1 1 . 1 1 48 48 ILE N N 51 120.569 120.569 118.317 2.252 17918 268 1 1 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.294 0.194 17918 269 1 1 . 1 1 48 48 ILE C C 51 181.848 181.848 177.873 3.975 17918 270 1 1 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.490 0.073 17918 271 1 1 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.943 2.750 17918 272 1 1 . 1 1 48 48 ILE H H 51 8.127 8.127 8.740 -0.613 17918 273 1 1 . 1 1 49 49 ALA N N 52 124.538 124.538 120.942 3.596 17918 274 1 1 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.156 0.053 17918 275 1 1 . 1 1 49 49 ALA C C 52 181.120 181.120 178.793 2.327 17918 276 1 1 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.150 2.269 17918 277 1 1 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.029 0.387 17918 278 1 1 . 1 1 49 49 ALA H H 52 8.526 8.526 7.454 1.072 17918 279 1 1 . 1 1 50 50 SER N N 53 111.097 111.097 113.938 -2.841 17918 280 1 1 . 1 1 50 50 SER HA H 53 4.428 4.428 4.322 0.106 17918 281 1 1 . 1 1 50 50 SER C C 53 176.608 176.608 176.204 0.404 17918 282 1 1 . 1 1 50 50 SER CA C 53 60.248 60.248 59.416 0.832 17918 283 1 1 . 1 1 50 50 SER CB C 53 65.098 65.098 64.345 0.753 17918 284 1 1 . 1 1 50 50 SER H H 53 8.124 8.124 8.429 -0.305 17918 285 1 1 . 1 1 51 51 GLY N N 54 110.581 110.581 109.346 1.235 17918 286 1 1 . 1 1 51 51 GLY C C 54 175.699 175.699 174.832 0.867 17918 287 1 1 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.808 1.623 17918 288 1 1 . 1 1 51 51 GLY H H 54 7.904 7.904 8.298 -0.394 17918 289 1 1 . 1 1 52 52 GLU N N 55 122.231 122.231 120.115 2.116 17918 290 1 1 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.158 -0.155 17918 291 1 1 . 1 1 52 52 GLU C C 55 177.647 177.647 176.836 0.811 17918 292 1 1 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.409 1.679 17918 293 1 1 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.257 1.366 17918 294 1 1 . 1 1 52 52 GLU H H 55 8.204 8.204 7.947 0.257 17918 295 1 1 . 1 1 53 53 VAL N N 56 111.615 111.615 112.555 -0.940 17918 296 1 1 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.612 -0.033 17918 297 1 1 . 1 1 53 53 VAL C C 56 175.225 175.225 174.476 0.749 17918 298 1 1 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.757 -0.073 17918 299 1 1 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.891 0.642 17918 300 1 1 . 1 1 53 53 VAL H H 56 7.274 7.274 7.570 -0.296 17918 301 1 1 . 1 1 54 54 SER N N 57 119.532 119.532 114.443 5.089 17918 302 1 1 . 1 1 54 54 SER HA H 57 4.692 4.692 4.785 -0.093 17918 303 1 1 . 1 1 54 54 SER C C 57 176.092 176.092 175.458 0.634 17918 304 1 1 . 1 1 54 54 SER CA C 57 58.189 58.189 56.495 1.694 17918 305 1 1 . 1 1 54 54 SER CB C 57 66.447 66.447 65.263 1.183 17918 306 1 1 . 1 1 54 54 SER H H 57 8.637 8.637 8.217 0.420 17918 307 1 1 . 1 1 55 55 PHE N N 58 123.609 123.609 122.871 0.738 17918 308 1 1 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.109 -0.455 17918 309 1 1 . 1 1 55 55 PHE C C 58 177.469 177.469 176.643 0.826 17918 310 1 1 . 1 1 55 55 PHE CA C 58 63.857 63.857 62.225 1.632 17918 311 1 1 . 1 1 55 55 PHE CB C 58 40.966 40.966 39.099 1.867 17918 312 1 1 . 1 1 55 55 PHE H H 58 9.326 9.326 9.149 0.177 17918 313 1 1 . 1 1 56 56 GLU N N 59 116.994 116.994 118.560 -1.566 17918 314 1 1 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.143 0.062 17918 315 1 1 . 1 1 56 56 GLU C C 59 180.852 180.852 179.184 1.668 17918 316 1 1 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.212 1.155 17918 317 1 1 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.625 1.205 17918 318 1 1 . 1 1 56 56 GLU H H 59 9.464 9.464 8.650 0.814 17918 319 1 1 . 1 1 57 57 GLU N N 60 122.452 122.452 119.047 3.405 17918 320 1 1 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.001 0.022 17918 321 1 1 . 1 1 57 57 GLU C C 60 179.899 179.899 178.705 1.194 17918 322 1 1 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.931 1.082 17918 323 1 1 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.161 2.024 17918 324 1 1 . 1 1 57 57 GLU H H 60 7.978 7.978 7.579 0.399 17918 325 1 1 . 1 1 58 58 ALA N N 61 123.053 123.053 122.106 0.947 17918 326 1 1 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.134 0.447 17918 327 1 1 . 1 1 58 58 ALA C C 61 179.854 179.854 178.984 0.870 17918 328 1 1 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.605 1.276 17918 329 1 1 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.643 2.417 17918 330 1 1 . 1 1 58 58 ALA H H 61 8.157 8.157 7.403 0.754 17918 331 1 1 . 1 1 59 59 ALA N N 62 120.029 120.029 121.267 -1.238 17918 332 1 1 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.986 -0.434 17918 333 1 1 . 1 1 59 59 ALA C C 62 181.080 181.080 180.181 0.899 17918 334 1 1 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.984 1.434 17918 335 1 1 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.394 -0.352 17918 336 1 1 . 1 1 59 59 ALA H H 62 8.540 8.540 8.649 -0.109 17918 337 1 1 . 1 1 60 60 SER N N 63 113.010 113.010 111.696 1.314 17918 338 1 1 . 1 1 60 60 SER HA H 63 4.766 4.766 4.332 0.434 17918 339 1 1 . 1 1 60 60 SER C C 63 176.299 176.299 175.601 0.698 17918 340 1 1 . 1 1 60 60 SER CA C 63 62.414 62.414 61.473 0.941 17918 341 1 1 . 1 1 60 60 SER CB C 63 64.687 64.687 63.454 1.233 17918 342 1 1 . 1 1 60 60 SER H H 63 8.013 8.013 8.023 -0.010 17918 343 1 1 . 1 1 61 61 GLN N N 64 115.830 115.830 115.392 0.438 17918 344 1 1 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.418 -0.288 17918 345 1 1 . 1 1 61 61 GLN C C 64 178.579 178.579 177.088 1.491 17918 346 1 1 . 1 1 61 61 GLN CA C 64 58.366 58.366 56.994 1.372 17918 347 1 1 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.524 1.852 17918 348 1 1 . 1 1 61 61 GLN H H 64 7.496 7.496 7.478 0.018 17918 349 1 1 . 1 1 62 62 ARG N N 65 115.716 115.716 117.734 -2.018 17918 350 1 1 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.533 -0.072 17918 351 1 1 . 1 1 62 62 ARG C C 65 176.601 176.601 176.697 -0.096 17918 352 1 1 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.761 -2.130 17918 353 1 1 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.048 1.608 17918 354 1 1 . 1 1 62 62 ARG H H 65 7.693 7.693 8.544 -0.851 17918 355 1 1 . 1 1 63 63 SER N N 66 114.680 114.680 116.092 -1.412 17918 356 1 1 . 1 1 63 63 SER HA H 66 4.222 4.222 4.630 -0.408 17918 357 1 1 . 1 1 63 63 SER C C 66 177.034 177.034 175.289 1.745 17918 358 1 1 . 1 1 63 63 SER CA C 66 59.677 59.677 58.507 1.170 17918 359 1 1 . 1 1 63 63 SER CB C 66 65.786 65.786 62.847 2.939 17918 360 1 1 . 1 1 63 63 SER H H 66 8.528 8.528 7.722 0.806 17918 361 1 1 . 1 1 64 64 ASP N N 67 123.612 123.612 124.077 -0.465 17918 362 1 1 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.430 0.469 17918 363 1 1 . 1 1 64 64 ASP C C 67 176.674 176.674 176.480 0.194 17918 364 1 1 . 1 1 64 64 ASP CA C 67 55.991 55.991 55.800 0.191 17918 365 1 1 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.738 2.919 17918 366 1 1 . 1 1 64 64 ASP H H 67 9.645 9.645 9.056 0.589 17918 367 1 1 . 1 1 65 65 CYS N N 68 124.716 124.716 114.645 10.071 17918 368 1 1 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.823 -0.378 17918 369 1 1 . 1 1 65 65 CYS C C 68 177.747 177.747 176.901 0.846 17918 370 1 1 . 1 1 65 65 CYS CA C 68 60.118 60.118 57.096 3.022 17918 371 1 1 . 1 1 65 65 CYS CB C 68 30.459 30.459 30.063 0.396 17918 372 1 1 . 1 1 65 65 CYS H H 68 7.903 7.903 7.521 0.382 17918 373 1 1 . 1 1 66 66 GLY N N 69 118.503 118.503 109.193 9.310 17918 374 1 1 . 1 1 66 66 GLY C C 69 175.872 175.872 175.633 0.239 17918 375 1 1 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.282 1.660 17918 376 1 1 . 1 1 66 66 GLY H H 69 8.811 8.811 8.944 -0.133 17918 377 1 1 . 1 1 67 67 SER N N 70 120.316 120.316 117.209 3.107 17918 378 1 1 . 1 1 67 67 SER HA H 70 4.245 4.245 4.153 0.092 17918 379 1 1 . 1 1 67 67 SER C C 70 178.404 178.404 176.035 2.369 17918 380 1 1 . 1 1 67 67 SER CA C 70 61.611 61.611 60.178 1.433 17918 381 1 1 . 1 1 67 67 SER CB C 70 64.297 64.297 62.356 1.941 17918 382 1 1 . 1 1 67 67 SER H H 70 9.556 9.556 8.148 1.408 17918 383 1 1 . 1 1 68 68 TYR N N 71 129.376 129.376 121.794 7.582 17918 384 1 1 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.264 -0.233 17918 385 1 1 . 1 1 68 68 TYR C C 71 177.613 177.613 177.322 0.291 17918 386 1 1 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.594 2.798 17918 387 1 1 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.595 0.202 17918 388 1 1 . 1 1 68 68 TYR H H 71 8.584 8.584 8.332 0.252 17918 389 1 1 . 1 1 69 69 ALA N N 72 122.673 122.673 122.683 -0.010 17918 390 1 1 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.754 -0.109 17918 391 1 1 . 1 1 69 69 ALA C C 72 179.011 179.011 178.140 0.871 17918 392 1 1 . 1 1 69 69 ALA CA C 72 54.290 54.290 54.032 0.258 17918 393 1 1 . 1 1 69 69 ALA CB C 72 19.121 19.121 17.994 1.127 17918 394 1 1 . 1 1 69 69 ALA H H 72 5.645 5.645 6.939 -1.294 17918 395 1 1 . 1 1 70 70 SER N N 73 114.496 114.496 112.246 2.250 17918 396 1 1 . 1 1 70 70 SER HA H 73 4.782 4.782 4.388 0.394 17918 397 1 1 . 1 1 70 70 SER C C 73 177.320 177.320 175.266 2.054 17918 398 1 1 . 1 1 70 70 SER CA C 73 57.287 57.287 58.052 -0.765 17918 399 1 1 . 1 1 70 70 SER CB C 73 64.538 64.538 63.699 0.839 17918 400 1 1 . 1 1 70 70 SER H H 73 7.654 7.654 7.469 0.185 17918 401 1 1 . 1 1 71 71 GLY N N 74 112.182 112.182 110.777 1.405 17918 402 1 1 . 1 1 71 71 GLY C C 74 174.379 174.379 174.348 0.031 17918 403 1 1 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.735 3.699 17918 404 1 1 . 1 1 71 71 GLY H H 74 7.933 7.933 7.641 0.292 17918 405 1 1 . 1 1 72 72 GLY N N 75 126.463 126.463 109.156 17.307 17918 406 1 1 . 1 1 72 72 GLY C C 75 175.121 175.121 172.354 2.767 17918 407 1 1 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.607 0.465 17918 408 1 1 . 1 1 72 72 GLY H H 75 7.994 7.994 8.424 -0.430 17918 409 1 1 . 1 1 73 73 ASP N N 76 118.815 118.815 119.247 -0.432 17918 410 1 1 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.674 -0.260 17918 411 1 1 . 1 1 73 73 ASP C C 76 177.362 177.362 174.828 2.534 17918 412 1 1 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.634 2.489 17918 413 1 1 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.937 -0.486 17918 414 1 1 . 1 1 73 73 ASP H H 76 6.956 6.956 7.610 -0.654 17918 415 1 1 . 1 1 74 74 LEU N N 77 128.720 128.720 125.112 3.608 17918 416 1 1 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.630 -0.275 17918 417 1 1 . 1 1 74 74 LEU C C 77 179.412 179.412 177.450 1.962 17918 418 1 1 . 1 1 74 74 LEU CA C 77 56.134 56.134 54.546 1.588 17918 419 1 1 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.504 1.339 17918 420 1 1 . 1 1 74 74 LEU H H 77 8.694 8.694 8.626 0.069 17918 421 1 1 . 1 1 75 75 GLY N N 78 109.695 109.695 108.056 1.639 17918 422 1 1 . 1 1 75 75 GLY C C 78 173.473 173.473 173.684 -0.211 17918 423 1 1 . 1 1 75 75 GLY CA C 78 45.346 45.346 44.119 1.227 17918 424 1 1 . 1 1 75 75 GLY H H 78 8.682 8.682 7.473 1.209 17918 425 1 1 . 1 1 76 76 PHE N N 79 115.646 115.646 120.389 -4.743 17918 426 1 1 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.348 0.871 17918 427 1 1 . 1 1 76 76 PHE C C 79 178.904 178.904 174.623 4.281 17918 428 1 1 . 1 1 76 76 PHE CA C 79 59.456 59.456 56.268 3.188 17918 429 1 1 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.435 4.382 17918 430 1 1 . 1 1 76 76 PHE H H 79 8.203 8.203 8.138 0.065 17918 431 1 1 . 1 1 77 77 PHE N N 80 119.508 119.508 121.295 -1.787 17918 432 1 1 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.956 0.181 17918 433 1 1 . 1 1 77 77 PHE C C 80 174.331 174.331 174.534 -0.203 17918 434 1 1 . 1 1 77 77 PHE CA C 80 56.896 56.896 54.447 2.449 17918 435 1 1 . 1 1 77 77 PHE CB C 80 42.463 42.463 40.613 1.850 17918 436 1 1 . 1 1 77 77 PHE H H 80 9.112 9.112 8.043 1.069 17918 437 1 1 . 1 1 78 78 SER N N 81 116.578 116.578 115.753 0.825 17918 438 1 1 . 1 1 78 78 SER HA H 81 4.957 4.957 5.393 -0.436 17918 439 1 1 . 1 1 78 78 SER C C 81 176.191 176.191 176.870 -0.679 17918 440 1 1 . 1 1 78 78 SER CA C 81 58.065 58.065 56.361 1.704 17918 441 1 1 . 1 1 78 78 SER CB C 81 66.514 66.514 65.225 1.289 17918 442 1 1 . 1 1 78 78 SER H H 81 8.930 8.930 9.536 -0.606 17918 443 1 1 . 1 1 79 79 SER N N 82 118.715 118.715 121.614 -2.899 17918 444 1 1 . 1 1 79 79 SER HA H 82 4.420 4.420 4.185 0.235 17918 445 1 1 . 1 1 79 79 SER C C 82 176.946 176.946 176.509 0.437 17918 446 1 1 . 1 1 79 79 SER CA C 82 60.988 60.988 61.846 -0.859 17918 447 1 1 . 1 1 79 79 SER CB C 82 64.242 64.242 62.674 1.568 17918 448 1 1 . 1 1 79 79 SER H H 82 8.751 8.751 9.268 -0.516 17918 449 1 1 . 1 1 80 80 GLY N N 83 117.069 117.069 107.480 9.589 17918 450 1 1 . 1 1 80 80 GLY C C 83 175.628 175.628 173.977 1.651 17918 451 1 1 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.147 1.485 17918 452 1 1 . 1 1 80 80 GLY H H 83 10.009 10.009 8.828 1.181 17918 453 1 1 . 1 1 81 81 GLU N N 84 120.322 120.322 120.117 0.205 17918 454 1 1 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.361 -0.130 17918 455 1 1 . 1 1 81 81 GLU C C 84 178.456 178.456 176.549 1.907 17918 456 1 1 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.322 3.405 17918 457 1 1 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.295 2.426 17918 458 1 1 . 1 1 81 81 GLU H H 84 7.812 7.812 8.211 -0.399 17918 459 1 1 . 1 1 82 82 MET N N 85 117.156 117.156 116.850 0.306 17918 460 1 1 . 1 1 82 82 MET HA H 85 4.569 4.569 4.695 -0.126 17918 461 1 1 . 1 1 82 82 MET C C 85 176.991 176.991 175.292 1.699 17918 462 1 1 . 1 1 82 82 MET CA C 85 53.174 53.174 53.684 -0.510 17918 463 1 1 . 1 1 82 82 MET CB C 85 34.386 34.386 33.971 0.415 17918 464 1 1 . 1 1 82 82 MET H H 85 8.601 8.601 7.567 1.034 17918 465 1 1 . 1 1 83 83 MET N N 86 119.413 119.413 119.284 0.129 17918 466 1 1 . 1 1 83 83 MET HA H 86 4.273 4.273 4.472 -0.199 17918 467 1 1 . 1 1 83 83 MET C C 86 178.979 178.979 177.658 1.321 17918 468 1 1 . 1 1 83 83 MET CA C 86 58.320 58.320 55.239 3.080 17918 469 1 1 . 1 1 83 83 MET CB C 86 34.339 34.339 33.082 1.257 17918 470 1 1 . 1 1 83 83 MET H H 86 8.413 8.413 8.211 0.202 17918 471 1 1 . 1 1 84 84 LYS N N 87 126.834 126.834 123.810 3.024 17918 472 1 1 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.025 0.715 17918 473 1 1 . 1 1 84 84 LYS C C 87 175.267 175.267 176.149 -0.882 17918 474 1 1 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.521 0.940 17918 475 1 1 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.685 0.750 17918 476 1 1 . 1 1 84 84 LYS H H 87 9.099 9.099 8.882 0.217 17918 477 1 1 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.334 0.131 17918 478 1 1 . 1 1 85 85 PRO C C 88 180.671 180.671 178.987 1.684 17918 479 1 1 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.628 1.115 17918 480 1 1 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.511 0.745 17918 481 1 1 . 1 1 86 86 PHE N N 89 116.583 116.583 119.484 -2.901 17918 482 1 1 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.117 -0.470 17918 483 1 1 . 1 1 86 86 PHE C C 89 177.086 177.086 177.067 0.019 17918 484 1 1 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.110 0.374 17918 485 1 1 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.369 2.141 17918 486 1 1 . 1 1 86 86 PHE H H 89 7.102 7.102 7.910 -0.808 17918 487 1 1 . 1 1 87 87 GLU N N 90 120.506 120.506 120.309 0.197 17918 488 1 1 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.833 -0.109 17918 489 1 1 . 1 1 87 87 GLU C C 90 179.102 179.102 178.885 0.217 17918 490 1 1 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.546 2.311 17918 491 1 1 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.221 1.563 17918 492 1 1 . 1 1 87 87 GLU H H 90 8.126 8.126 8.880 -0.754 17918 493 1 1 . 1 1 88 88 ASP N N 91 118.355 118.355 119.353 -0.998 17918 494 1 1 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.395 -0.160 17918 495 1 1 . 1 1 88 88 ASP C C 91 180.067 180.067 178.569 1.498 17918 496 1 1 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.234 1.070 17918 497 1 1 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.406 0.620 17918 498 1 1 . 1 1 88 88 ASP H H 91 9.121 9.121 8.562 0.559 17918 499 1 1 . 1 1 89 89 ALA N N 92 121.718 121.718 122.131 -0.413 17918 500 1 1 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.125 -0.053 17918 501 1 1 . 1 1 89 89 ALA C C 92 181.131 181.131 179.567 1.564 17918 502 1 1 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.914 0.931 17918 503 1 1 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.441 1.658 17918 504 1 1 . 1 1 89 89 ALA H H 92 7.154 7.154 7.414 -0.260 17918 505 1 1 . 1 1 90 90 VAL N N 93 117.315 117.315 118.615 -1.300 17918 506 1 1 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.535 -0.120 17918 507 1 1 . 1 1 90 90 VAL C C 93 178.908 178.908 178.262 0.646 17918 508 1 1 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.560 1.194 17918 509 1 1 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.167 1.182 17918 510 1 1 . 1 1 90 90 VAL H H 93 7.797 7.797 7.581 0.216 17918 511 1 1 . 1 1 91 91 ARG N N 94 116.826 116.826 119.965 -3.139 17918 512 1 1 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.018 -0.164 17918 513 1 1 . 1 1 91 91 ARG C C 94 177.858 177.858 177.271 0.587 17918 514 1 1 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.829 1.637 17918 515 1 1 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.066 1.022 17918 516 1 1 . 1 1 91 91 ARG H H 94 8.154 8.154 8.257 -0.103 17918 517 1 1 . 1 1 92 92 ALA N N 95 118.849 118.849 119.886 -1.037 17918 518 1 1 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.178 0.115 17918 519 1 1 . 1 1 92 92 ALA C C 95 178.452 178.452 177.694 0.758 17918 520 1 1 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.404 0.073 17918 521 1 1 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.031 1.116 17918 522 1 1 . 1 1 92 92 ALA H H 95 7.067 7.067 7.508 -0.441 17918 523 1 1 . 1 1 93 93 LEU N N 96 120.871 120.871 113.898 6.973 17918 524 1 1 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.628 -0.114 17918 525 1 1 . 1 1 93 93 LEU C C 96 179.045 179.045 175.889 3.156 17918 526 1 1 . 1 1 93 93 LEU CA C 96 55.163 55.163 52.856 2.307 17918 527 1 1 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.226 1.706 17918 528 1 1 . 1 1 93 93 LEU H H 96 7.396 7.396 7.197 0.199 17918 529 1 1 . 1 1 94 94 LYS N N 97 121.289 121.289 120.603 0.686 17918 530 1 1 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.459 -0.051 17918 531 1 1 . 1 1 94 94 LYS C C 97 178.629 178.629 176.696 1.933 17918 532 1 1 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.497 1.797 17918 533 1 1 . 1 1 94 94 LYS CB C 97 33.395 33.395 33.739 -0.344 17918 534 1 1 . 1 1 94 94 LYS H H 97 8.274 8.274 8.278 -0.004 17918 535 1 1 . 1 1 95 95 ILE N N 98 122.343 122.343 124.130 -1.787 17918 536 1 1 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.696 -0.631 17918 537 1 1 . 1 1 95 95 ILE C C 98 178.406 178.406 176.854 1.552 17918 538 1 1 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.429 2.865 17918 539 1 1 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.849 1.313 17918 540 1 1 . 1 1 95 95 ILE H H 98 8.396 8.396 8.543 -0.147 17918 541 1 1 . 1 1 96 96 GLY N N 99 118.074 118.074 116.334 1.740 17918 542 1 1 . 1 1 96 96 GLY C C 99 174.605 174.605 174.378 0.227 17918 543 1 1 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.576 1.597 17918 544 1 1 . 1 1 96 96 GLY H H 99 8.988 8.988 8.806 0.182 17918 545 1 1 . 1 1 97 97 ASP N N 100 121.984 121.984 122.503 -0.519 17918 546 1 1 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.872 -0.077 17918 547 1 1 . 1 1 97 97 ASP C C 100 175.344 175.344 175.410 -0.066 17918 548 1 1 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.235 0.802 17918 549 1 1 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.381 1.572 17918 550 1 1 . 1 1 97 97 ASP H H 100 7.978 7.978 8.545 -0.567 17918 551 1 1 . 1 1 98 98 ILE N N 101 117.483 117.483 119.240 -1.757 17918 552 1 1 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.696 0.464 17918 553 1 1 . 1 1 98 98 ILE C C 101 178.147 178.147 175.877 2.270 17918 554 1 1 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.075 0.261 17918 555 1 1 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.699 -0.406 17918 556 1 1 . 1 1 98 98 ILE H H 101 8.048 8.048 8.168 -0.120 17918 557 1 1 . 1 1 99 99 SER N N 102 126.778 126.778 122.753 4.025 17918 558 1 1 . 1 1 99 99 SER HA H 102 4.526 4.526 4.937 -0.411 17918 559 1 1 . 1 1 99 99 SER C C 102 172.735 172.735 173.161 -0.426 17918 560 1 1 . 1 1 99 99 SER CA C 102 59.441 59.441 56.315 3.126 17918 561 1 1 . 1 1 99 99 SER CB C 102 64.572 64.572 63.384 1.188 17918 562 1 1 . 1 1 99 99 SER H H 102 9.722 9.722 9.199 0.523 17918 563 1 1 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.603 0.216 17918 564 1 1 . 1 1 100 100 PRO C C 103 176.647 176.647 176.862 -0.215 17918 565 1 1 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.491 0.637 17918 566 1 1 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.577 0.862 17918 567 1 1 . 1 1 101 101 ILE N N 104 120.048 120.048 118.981 1.067 17918 568 1 1 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.129 0.178 17918 569 1 1 . 1 1 101 101 ILE C C 104 178.021 178.021 176.503 1.518 17918 570 1 1 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.195 2.946 17918 571 1 1 . 1 1 101 101 ILE CB C 104 38.970 38.970 38.152 0.818 17918 572 1 1 . 1 1 101 101 ILE H H 104 8.199 8.199 8.248 -0.049 17918 573 1 1 . 1 1 102 102 VAL N N 105 130.676 130.676 127.980 2.696 17918 574 1 1 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.424 -0.067 17918 575 1 1 . 1 1 102 102 VAL C C 105 175.118 175.118 174.561 0.557 17918 576 1 1 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.341 0.466 17918 577 1 1 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.909 2.474 17918 578 1 1 . 1 1 102 102 VAL H H 105 9.285 9.285 8.690 0.595 17918 579 1 1 . 1 1 103 103 GLN N N 106 128.464 128.464 126.894 1.570 17918 580 1 1 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.788 0.661 17918 581 1 1 . 1 1 103 103 GLN C C 106 176.704 176.704 175.876 0.828 17918 582 1 1 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.826 -0.766 17918 583 1 1 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.291 1.741 17918 584 1 1 . 1 1 103 103 GLN H H 106 8.900 8.900 8.854 0.046 17918 585 1 1 . 1 1 104 104 THR N N 107 116.680 116.680 119.731 -3.051 17918 586 1 1 . 1 1 104 104 THR HA H 107 4.978 4.978 4.901 0.077 17918 587 1 1 . 1 1 104 104 THR C C 107 177.189 177.189 174.731 2.458 17918 588 1 1 . 1 1 104 104 THR CA C 107 61.836 61.836 59.556 2.280 17918 589 1 1 . 1 1 104 104 THR CB C 107 73.663 73.663 70.783 2.880 17918 590 1 1 . 1 1 104 104 THR H H 107 9.275 9.275 9.042 0.233 17918 591 1 1 . 1 1 105 105 ASP N N 108 119.651 119.651 120.634 -0.983 17918 592 1 1 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.379 0.199 17918 593 1 1 . 1 1 105 105 ASP C C 108 179.034 179.034 177.369 1.665 17918 594 1 1 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.791 1.165 17918 595 1 1 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.647 1.369 17918 596 1 1 . 1 1 105 105 ASP H H 108 8.945 8.945 8.874 0.071 17918 597 1 1 . 1 1 106 106 SER N N 109 114.257 114.257 114.052 0.205 17918 598 1 1 . 1 1 106 106 SER HA H 109 4.642 4.642 4.268 0.374 17918 599 1 1 . 1 1 106 106 SER C C 109 177.224 177.224 173.967 3.257 17918 600 1 1 . 1 1 106 106 SER CA C 109 62.788 62.788 59.492 3.296 17918 601 1 1 . 1 1 106 106 SER CB C 109 64.767 64.767 63.585 1.182 17918 602 1 1 . 1 1 106 106 SER H H 109 8.968 8.968 8.428 0.540 17918 603 1 1 . 1 1 107 107 GLY N N 110 111.288 111.288 106.081 5.207 17918 604 1 1 . 1 1 107 107 GLY C C 110 169.468 169.468 172.111 -2.643 17918 605 1 1 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.114 1.584 17918 606 1 1 . 1 1 107 107 GLY H H 110 7.829 7.829 7.628 0.201 17918 607 1 1 . 1 1 108 108 LEU N N 111 122.506 122.506 122.454 0.052 17918 608 1 1 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.165 0.206 17918 609 1 1 . 1 1 108 108 LEU C C 111 175.948 175.948 175.464 0.484 17918 610 1 1 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.115 0.161 17918 611 1 1 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.248 0.527 17918 612 1 1 . 1 1 108 108 LEU H H 111 8.143 8.143 8.447 -0.304 17918 613 1 1 . 1 1 109 109 HIS N N 112 119.518 119.518 123.464 -3.946 17918 614 1 1 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.832 0.263 17918 615 1 1 . 1 1 109 109 HIS C C 112 179.186 179.186 174.756 4.430 17918 616 1 1 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.587 0.793 17918 617 1 1 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.182 0.656 17918 618 1 1 . 1 1 109 109 HIS H H 112 9.764 9.764 9.366 0.398 17918 619 1 1 . 1 1 110 110 ILE N N 113 113.128 113.128 119.465 -6.337 17918 620 1 1 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.885 -0.426 17918 621 1 1 . 1 1 110 110 ILE C C 113 176.666 176.666 174.294 2.372 17918 622 1 1 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.278 4.159 17918 623 1 1 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.429 2.307 17918 624 1 1 . 1 1 110 110 ILE H H 113 8.117 8.117 8.457 -0.340 17918 625 1 1 . 1 1 111 111 ILE N N 114 125.121 125.121 123.542 1.579 17918 626 1 1 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.058 -0.288 17918 627 1 1 . 1 1 111 111 ILE C C 114 173.792 173.792 174.746 -0.954 17918 628 1 1 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.700 2.284 17918 629 1 1 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.056 1.627 17918 630 1 1 . 1 1 111 111 ILE H H 114 8.604 8.604 8.746 -0.142 17918 631 1 1 . 1 1 112 112 LYS N N 115 127.966 127.966 122.225 5.741 17918 632 1 1 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.317 -0.144 17918 633 1 1 . 1 1 112 112 LYS C C 115 177.267 177.267 174.796 2.471 17918 634 1 1 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.264 0.111 17918 635 1 1 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.855 -0.342 17918 636 1 1 . 1 1 112 112 LYS H H 115 9.075 9.075 9.029 0.046 17918 637 1 1 . 1 1 113 113 ARG N N 116 126.762 126.762 122.615 4.147 17918 638 1 1 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.280 0.055 17918 639 1 1 . 1 1 113 113 ARG C C 116 176.109 176.109 176.238 -0.129 17918 640 1 1 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.792 2.031 17918 641 1 1 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.165 0.692 17918 642 1 1 . 1 1 113 113 ARG H H 116 7.830 7.830 8.679 -0.849 17918 643 1 1 . 1 1 114 114 LEU N N 117 128.545 128.545 127.994 0.551 17918 644 1 1 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.700 -0.077 17918 645 1 1 . 1 1 114 114 LEU C C 117 176.857 176.857 175.833 1.024 17918 646 1 1 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.878 1.114 17918 647 1 1 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.548 1.591 17918 648 1 1 . 1 1 114 114 LEU H H 117 8.534 8.534 8.933 -0.399 17918 649 1 2 . 1 1 2 2 SER N N 5 117.478 117.478 115.689 1.789 17918 650 1 2 . 1 1 2 2 SER HA H 5 4.393 4.393 4.425 -0.032 17918 651 1 2 . 1 1 2 2 SER C C 5 175.466 175.466 174.885 0.581 17918 652 1 2 . 1 1 2 2 SER CA C 5 59.622 59.622 60.072 -0.450 17918 653 1 2 . 1 1 2 2 SER CB C 5 64.896 64.896 63.609 1.287 17918 654 1 2 . 1 1 2 2 SER H H 5 8.317 8.317 8.355 -0.038 17918 655 1 2 . 1 1 3 3 GLU N N 6 123.783 123.783 119.078 4.705 17918 656 1 2 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.490 -0.212 17918 657 1 2 . 1 1 3 3 GLU C C 6 177.189 177.189 175.334 1.855 17918 658 1 2 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.391 2.400 17918 659 1 2 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.467 1.101 17918 660 1 2 . 1 1 3 3 GLU H H 6 8.359 8.359 7.846 0.513 17918 661 1 2 . 1 1 4 4 LYS N N 7 122.875 122.875 119.012 3.863 17918 662 1 2 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.230 0.284 17918 663 1 2 . 1 1 4 4 LYS C C 7 176.557 176.557 174.987 1.570 17918 664 1 2 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.993 -0.167 17918 665 1 2 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.305 4.088 17918 666 1 2 . 1 1 4 4 LYS H H 7 8.193 8.193 8.453 -0.260 17918 667 1 2 . 1 1 5 5 LEU N N 8 123.258 123.258 122.690 0.568 17918 668 1 2 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.814 -0.420 17918 669 1 2 . 1 1 5 5 LEU C C 8 175.699 175.699 173.843 1.856 17918 670 1 2 . 1 1 5 5 LEU CA C 8 54.542 54.542 52.120 2.422 17918 671 1 2 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.620 -0.108 17918 672 1 2 . 1 1 5 5 LEU H H 8 8.265 8.265 8.633 -0.368 17918 673 1 2 . 1 1 6 6 ARG N N 9 117.197 117.197 120.947 -3.750 17918 674 1 2 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.516 1.088 17918 675 1 2 . 1 1 6 6 ARG C C 9 175.633 175.633 173.711 1.922 17918 676 1 2 . 1 1 6 6 ARG CA C 9 57.175 57.175 54.825 2.349 17918 677 1 2 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.419 2.001 17918 678 1 2 . 1 1 6 6 ARG H H 9 7.759 7.759 8.184 -0.425 17918 679 1 2 . 1 1 7 7 ALA N N 10 126.954 126.954 127.841 -0.887 17918 680 1 2 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.130 0.010 17918 681 1 2 . 1 1 7 7 ALA C C 10 174.004 174.004 174.810 -0.806 17918 682 1 2 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.362 0.505 17918 683 1 2 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.714 2.293 17918 684 1 2 . 1 1 7 7 ALA H H 10 7.637 7.637 8.639 -1.002 17918 685 1 2 . 1 1 8 8 ALA N N 11 122.081 122.081 124.541 -2.460 17918 686 1 2 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.617 1.173 17918 687 1 2 . 1 1 8 8 ALA C C 11 177.446 177.446 175.061 2.385 17918 688 1 2 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.211 0.065 17918 689 1 2 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.620 3.001 17918 690 1 2 . 1 1 8 8 ALA H H 11 8.991 8.991 8.564 0.427 17918 691 1 2 . 1 1 9 9 HIS N N 12 118.002 118.002 118.712 -0.710 17918 692 1 2 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.376 0.753 17918 693 1 2 . 1 1 9 9 HIS C C 12 172.689 172.689 172.851 -0.162 17918 694 1 2 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.829 1.267 17918 695 1 2 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.068 5.664 17918 696 1 2 . 1 1 9 9 HIS H H 12 9.489 9.489 7.857 1.632 17918 697 1 2 . 1 1 10 10 LEU N N 13 126.276 126.276 121.269 5.007 17918 698 1 2 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.985 -1.079 17918 699 1 2 . 1 1 10 10 LEU C C 13 174.163 174.163 174.928 -0.765 17918 700 1 2 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.507 3.196 17918 701 1 2 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.097 -0.530 17918 702 1 2 . 1 1 10 10 LEU H H 13 8.866 8.866 9.042 -0.176 17918 703 1 2 . 1 1 11 11 LEU N N 14 127.134 127.134 127.342 -0.208 17918 704 1 2 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.170 -0.432 17918 705 1 2 . 1 1 11 11 LEU C C 14 175.626 175.626 174.595 1.031 17918 706 1 2 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.414 0.189 17918 707 1 2 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.597 1.098 17918 708 1 2 . 1 1 11 11 LEU H H 14 7.762 7.762 8.660 -0.898 17918 709 1 2 . 1 1 12 12 VAL N N 15 129.450 129.450 128.619 0.831 17918 710 1 2 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.388 0.022 17918 711 1 2 . 1 1 12 12 VAL C C 15 177.055 177.055 175.021 2.034 17918 712 1 2 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.533 2.308 17918 713 1 2 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.090 1.299 17918 714 1 2 . 1 1 12 12 VAL H H 15 9.667 9.667 8.604 1.063 17918 715 1 2 . 1 1 13 13 LYS N N 16 127.188 127.188 128.562 -1.374 17918 716 1 2 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.474 0.008 17918 717 1 2 . 1 1 13 13 LYS C C 16 176.034 176.034 175.446 0.588 17918 718 1 2 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.509 2.657 17918 719 1 2 . 1 1 13 13 LYS CB C 16 37.794 37.794 32.878 4.916 17918 720 1 2 . 1 1 13 13 LYS H H 16 9.138 9.138 8.718 0.420 17918 721 1 2 . 1 1 14 14 PHE N N 17 117.138 117.138 121.525 -4.387 17918 722 1 2 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.887 0.367 17918 723 1 2 . 1 1 14 14 PHE C C 17 176.588 176.588 176.757 -0.169 17918 724 1 2 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.419 2.169 17918 725 1 2 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.680 0.679 17918 726 1 2 . 1 1 14 14 PHE H H 17 8.617 8.617 8.051 0.566 17918 727 1 2 . 1 1 15 15 SER N N 18 120.047 120.047 117.857 2.190 17918 728 1 2 . 1 1 15 15 SER HA H 18 4.019 4.019 4.316 -0.297 17918 729 1 2 . 1 1 15 15 SER C C 18 180.099 180.099 176.227 3.872 17918 730 1 2 . 1 1 15 15 SER CA C 18 62.865 62.865 61.393 1.472 17918 731 1 2 . 1 1 15 15 SER CB C 18 64.300 64.300 63.198 1.102 17918 732 1 2 . 1 1 15 15 SER H H 18 9.437 9.437 9.116 0.321 17918 733 1 2 . 1 1 16 16 GLY C C 19 175.458 175.458 174.664 0.794 17918 734 1 2 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.522 1.260 17918 735 1 2 . 1 1 17 17 SER N N 20 120.550 120.550 114.873 5.677 17918 736 1 2 . 1 1 17 17 SER HA H 20 3.839 3.839 3.818 0.021 17918 737 1 2 . 1 1 17 17 SER C C 20 174.702 174.702 174.995 -0.293 17918 738 1 2 . 1 1 17 17 SER CA C 20 62.099 62.099 57.742 4.357 17918 739 1 2 . 1 1 17 17 SER CB C 20 65.081 65.081 64.173 0.908 17918 740 1 2 . 1 1 17 17 SER H H 20 7.236 7.236 7.229 0.007 17918 741 1 2 . 1 1 18 18 ARG N N 21 123.998 123.998 118.604 5.394 17918 742 1 2 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.060 0.003 17918 743 1 2 . 1 1 18 18 ARG C C 21 177.005 177.005 176.270 0.735 17918 744 1 2 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.104 1.491 17918 745 1 2 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.521 -0.415 17918 746 1 2 . 1 1 18 18 ARG H H 21 8.544 8.544 8.095 0.449 17918 747 1 2 . 1 1 19 19 ASN N N 22 116.403 116.403 116.307 0.096 17918 748 1 2 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.993 0.271 17918 749 1 2 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.646 0.174 17918 750 1 2 . 1 1 19 19 ASN CB C 22 40.496 40.496 40.073 0.423 17918 751 1 2 . 1 1 19 19 ASN H H 22 8.412 8.412 7.498 0.914 17918 752 1 2 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.578 -0.240 17918 753 1 2 . 1 1 20 20 PRO C C 23 176.381 176.381 175.458 0.923 17918 754 1 2 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.337 2.227 17918 755 1 2 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.198 -0.888 17918 756 1 2 . 1 1 21 21 VAL N N 24 126.905 126.905 115.489 11.416 17918 757 1 2 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.517 -0.169 17918 758 1 2 . 1 1 21 21 VAL C C 24 176.393 176.393 174.399 1.994 17918 759 1 2 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.609 3.229 17918 760 1 2 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.966 0.020 17918 761 1 2 . 1 1 21 21 VAL H H 24 8.810 8.810 7.451 1.359 17918 762 1 2 . 1 1 22 22 SER N N 25 121.164 121.164 118.490 2.674 17918 763 1 2 . 1 1 22 22 SER HA H 25 4.296 4.296 5.087 -0.791 17918 764 1 2 . 1 1 22 22 SER C C 25 178.264 178.264 175.080 3.184 17918 765 1 2 . 1 1 22 22 SER CA C 25 59.682 59.682 56.126 3.556 17918 766 1 2 . 1 1 22 22 SER CB C 25 64.553 64.553 66.857 -2.304 17918 767 1 2 . 1 1 22 22 SER H H 25 8.657 8.657 7.962 0.695 17918 768 1 2 . 1 1 23 23 ARG N N 26 129.578 129.578 121.936 7.642 17918 769 1 2 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.950 0.394 17918 770 1 2 . 1 1 23 23 ARG C C 26 176.541 176.541 177.470 -0.929 17918 771 1 2 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.822 0.438 17918 772 1 2 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.824 1.058 17918 773 1 2 . 1 1 23 23 ARG H H 26 8.837 8.837 8.886 -0.049 17918 774 1 2 . 1 1 24 24 ARG N N 27 119.514 119.514 116.242 3.272 17918 775 1 2 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.198 -0.408 17918 776 1 2 . 1 1 24 24 ARG C C 27 177.905 177.905 177.795 0.110 17918 777 1 2 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.534 0.282 17918 778 1 2 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.361 2.703 17918 779 1 2 . 1 1 24 24 ARG H H 27 7.439 7.439 8.243 -0.804 17918 780 1 2 . 1 1 25 25 THR N N 28 127.221 127.221 109.045 18.176 17918 781 1 2 . 1 1 25 25 THR HA H 28 4.258 4.258 4.417 -0.159 17918 782 1 2 . 1 1 25 25 THR C C 28 177.078 177.078 176.387 0.691 17918 783 1 2 . 1 1 25 25 THR CA C 28 62.291 62.291 62.406 -0.115 17918 784 1 2 . 1 1 25 25 THR CB C 28 71.224 71.224 71.107 0.117 17918 785 1 2 . 1 1 25 25 THR H H 28 7.088 7.088 7.645 -0.557 17918 786 1 2 . 1 1 26 26 GLY N N 29 110.483 110.483 112.587 -2.104 17918 787 1 2 . 1 1 26 26 GLY C C 29 174.471 174.471 173.568 0.903 17918 788 1 2 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.870 0.599 17918 789 1 2 . 1 1 26 26 GLY H H 29 7.678 7.678 8.747 -1.069 17918 790 1 2 . 1 1 27 27 ASP N N 30 120.302 120.302 119.779 0.523 17918 791 1 2 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.854 -0.091 17918 792 1 2 . 1 1 27 27 ASP C C 30 177.147 177.147 174.856 2.291 17918 793 1 2 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.205 0.558 17918 794 1 2 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.714 0.236 17918 795 1 2 . 1 1 27 27 ASP H H 30 8.128 8.128 8.364 -0.236 17918 796 1 2 . 1 1 28 28 SER N N 31 113.726 113.726 113.413 0.313 17918 797 1 2 . 1 1 28 28 SER HA H 31 4.629 4.629 4.973 -0.344 17918 798 1 2 . 1 1 28 28 SER C C 31 178.127 178.127 173.248 4.879 17918 799 1 2 . 1 1 28 28 SER CA C 31 58.869 58.869 57.813 1.056 17918 800 1 2 . 1 1 28 28 SER CB C 31 64.796 64.796 66.798 -2.002 17918 801 1 2 . 1 1 28 28 SER H H 31 8.633 8.633 7.536 1.097 17918 802 1 2 . 1 1 29 29 THR N N 32 120.655 120.655 117.164 3.491 17918 803 1 2 . 1 1 29 29 THR HA H 32 4.589 4.589 4.580 0.009 17918 804 1 2 . 1 1 29 29 THR C C 32 176.368 176.368 173.723 2.645 17918 805 1 2 . 1 1 29 29 THR CA C 32 62.892 62.892 61.434 1.458 17918 806 1 2 . 1 1 29 29 THR CB C 32 69.624 69.624 68.697 0.927 17918 807 1 2 . 1 1 29 29 THR H H 32 8.397 8.397 9.036 -0.639 17918 808 1 2 . 1 1 30 30 ALA N N 33 124.923 124.923 123.340 1.583 17918 809 1 2 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.331 -0.536 17918 810 1 2 . 1 1 30 30 ALA C C 33 177.708 177.708 176.385 1.323 17918 811 1 2 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.593 3.235 17918 812 1 2 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.162 1.688 17918 813 1 2 . 1 1 30 30 ALA H H 33 8.251 8.251 8.506 -0.255 17918 814 1 2 . 1 1 31 31 ASP N N 34 114.016 114.016 117.681 -3.665 17918 815 1 2 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.662 0.069 17918 816 1 2 . 1 1 31 31 ASP C C 34 176.973 176.973 176.118 0.855 17918 817 1 2 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.478 0.103 17918 818 1 2 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.926 -1.026 17918 819 1 2 . 1 1 31 31 ASP H H 34 8.398 8.398 7.618 0.780 17918 820 1 2 . 1 1 32 32 VAL N N 35 123.637 123.637 120.391 3.246 17918 821 1 2 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.487 -0.227 17918 822 1 2 . 1 1 32 32 VAL C C 35 177.725 177.725 174.229 3.496 17918 823 1 2 . 1 1 32 32 VAL CA C 35 63.492 63.492 59.917 3.575 17918 824 1 2 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.399 -0.642 17918 825 1 2 . 1 1 32 32 VAL H H 35 7.323 7.323 7.410 -0.087 17918 826 1 2 . 1 1 33 33 THR N N 36 121.552 121.552 119.178 2.374 17918 827 1 2 . 1 1 33 33 THR HA H 36 4.642 4.642 4.917 -0.275 17918 828 1 2 . 1 1 33 33 THR C C 36 176.268 176.268 175.763 0.505 17918 829 1 2 . 1 1 33 33 THR CA C 36 62.597 62.597 59.786 2.811 17918 830 1 2 . 1 1 33 33 THR CB C 36 72.388 72.388 71.368 1.020 17918 831 1 2 . 1 1 33 33 THR H H 36 9.078 9.078 8.957 0.121 17918 832 1 2 . 1 1 34 34 TYR N N 37 122.486 122.486 120.805 1.681 17918 833 1 2 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.778 -0.344 17918 834 1 2 . 1 1 34 34 TYR C C 37 177.216 177.216 176.209 1.007 17918 835 1 2 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.070 1.971 17918 836 1 2 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.782 2.712 17918 837 1 2 . 1 1 34 34 TYR H H 37 9.247 9.247 8.923 0.324 17918 838 1 2 . 1 1 35 35 GLU N N 38 116.626 116.626 120.338 -3.712 17918 839 1 2 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.428 0.251 17918 840 1 2 . 1 1 35 35 GLU C C 38 180.453 180.453 178.337 2.116 17918 841 1 2 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.008 2.437 17918 842 1 2 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.782 1.377 17918 843 1 2 . 1 1 35 35 GLU H H 38 8.782 8.782 7.633 1.149 17918 844 1 2 . 1 1 36 36 ASP N N 39 120.670 120.670 120.071 0.599 17918 845 1 2 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.297 0.075 17918 846 1 2 . 1 1 36 36 ASP C C 39 180.015 180.015 178.436 1.579 17918 847 1 2 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.228 0.991 17918 848 1 2 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.564 0.670 17918 849 1 2 . 1 1 36 36 ASP H H 39 7.916 7.916 7.838 0.078 17918 850 1 2 . 1 1 37 37 ALA N N 40 126.126 126.126 122.768 3.358 17918 851 1 2 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.035 -0.195 17918 852 1 2 . 1 1 37 37 ALA C C 40 179.923 179.923 179.462 0.461 17918 853 1 2 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.243 1.102 17918 854 1 2 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.692 1.161 17918 855 1 2 . 1 1 37 37 ALA H H 40 8.318 8.318 8.124 0.194 17918 856 1 2 . 1 1 38 38 ILE N N 41 118.850 118.850 118.853 -0.003 17918 857 1 2 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.570 -0.102 17918 858 1 2 . 1 1 38 38 ILE C C 41 179.106 179.106 177.893 1.213 17918 859 1 2 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.022 -0.643 17918 860 1 2 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.660 -0.369 17918 861 1 2 . 1 1 38 38 ILE H H 41 8.151 8.151 8.200 -0.049 17918 862 1 2 . 1 1 39 39 LYS N N 42 120.585 120.585 119.337 1.248 17918 863 1 2 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.839 0.145 17918 864 1 2 . 1 1 39 39 LYS C C 42 180.883 180.883 178.583 2.300 17918 865 1 2 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.013 0.872 17918 866 1 2 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.057 1.484 17918 867 1 2 . 1 1 39 39 LYS H H 42 7.519 7.519 7.857 -0.338 17918 868 1 2 . 1 1 40 40 GLU N N 43 121.167 121.167 119.514 1.653 17918 869 1 2 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.031 0.285 17918 870 1 2 . 1 1 40 40 GLU C C 43 179.969 179.969 178.946 1.023 17918 871 1 2 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.204 0.802 17918 872 1 2 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.524 1.217 17918 873 1 2 . 1 1 40 40 GLU H H 43 7.911 7.911 7.577 0.334 17918 874 1 2 . 1 1 41 41 LEU N N 44 121.081 121.081 120.665 0.416 17918 875 1 2 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.204 -0.013 17918 876 1 2 . 1 1 41 41 LEU C C 44 180.778 180.778 179.773 1.005 17918 877 1 2 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.538 0.395 17918 878 1 2 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.566 1.319 17918 879 1 2 . 1 1 41 41 LEU H H 44 8.424 8.424 7.890 0.534 17918 880 1 2 . 1 1 42 42 GLN N N 45 121.129 121.129 118.572 2.557 17918 881 1 2 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.228 -0.199 17918 882 1 2 . 1 1 42 42 GLN C C 45 179.911 179.911 178.657 1.254 17918 883 1 2 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.316 2.043 17918 884 1 2 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.571 0.451 17918 885 1 2 . 1 1 42 42 GLN H H 45 8.971 8.971 7.982 0.989 17918 886 1 2 . 1 1 43 43 LYS N N 46 121.830 121.830 121.465 0.365 17918 887 1 2 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.027 -0.020 17918 888 1 2 . 1 1 43 43 LYS C C 46 180.898 180.898 178.647 2.251 17918 889 1 2 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.168 1.476 17918 890 1 2 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.076 0.388 17918 891 1 2 . 1 1 43 43 LYS H H 46 7.769 7.769 7.272 0.497 17918 892 1 2 . 1 1 44 44 TRP N N 47 119.737 119.737 121.574 -1.837 17918 893 1 2 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.223 -0.267 17918 894 1 2 . 1 1 44 44 TRP C C 47 179.173 179.173 178.430 0.743 17918 895 1 2 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.219 2.827 17918 896 1 2 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.591 0.024 17918 897 1 2 . 1 1 44 44 TRP H H 47 8.002 8.002 8.736 -0.734 17918 898 1 2 . 1 1 45 45 SER N N 48 114.940 114.940 113.232 1.708 17918 899 1 2 . 1 1 45 45 SER HA H 48 4.072 4.072 4.061 0.011 17918 900 1 2 . 1 1 45 45 SER C C 48 178.249 178.249 177.176 1.073 17918 901 1 2 . 1 1 45 45 SER CA C 48 63.707 63.707 61.639 2.068 17918 902 1 2 . 1 1 45 45 SER H H 48 8.901 8.901 8.438 0.463 17918 903 1 2 . 1 1 46 46 GLN N N 49 121.411 121.411 122.832 -1.421 17918 904 1 2 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.099 0.098 17918 905 1 2 . 1 1 46 46 GLN C C 49 179.809 179.809 178.015 1.794 17918 906 1 2 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.928 0.931 17918 907 1 2 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.704 0.489 17918 908 1 2 . 1 1 46 46 GLN H H 49 7.950 7.950 7.519 0.431 17918 909 1 2 . 1 1 47 47 ARG N N 50 121.809 121.809 120.190 1.619 17918 910 1 2 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.292 -0.241 17918 911 1 2 . 1 1 47 47 ARG C C 50 179.464 179.464 179.260 0.204 17918 912 1 2 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.579 1.468 17918 913 1 2 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.366 1.627 17918 914 1 2 . 1 1 47 47 ARG H H 50 7.834 7.834 8.271 -0.437 17918 915 1 2 . 1 1 48 48 ILE N N 51 120.569 120.569 118.358 2.211 17918 916 1 2 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.308 0.180 17918 917 1 2 . 1 1 48 48 ILE C C 51 181.848 181.848 178.080 3.768 17918 918 1 2 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.630 -0.067 17918 919 1 2 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.934 2.759 17918 920 1 2 . 1 1 48 48 ILE H H 51 8.127 8.127 8.735 -0.608 17918 921 1 2 . 1 1 49 49 ALA N N 52 124.538 124.538 121.164 3.374 17918 922 1 2 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.153 0.056 17918 923 1 2 . 1 1 49 49 ALA C C 52 181.120 181.120 178.583 2.537 17918 924 1 2 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.129 2.290 17918 925 1 2 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.042 0.374 17918 926 1 2 . 1 1 49 49 ALA H H 52 8.526 8.526 7.520 1.006 17918 927 1 2 . 1 1 50 50 SER N N 53 111.097 111.097 113.832 -2.735 17918 928 1 2 . 1 1 50 50 SER HA H 53 4.428 4.428 4.331 0.097 17918 929 1 2 . 1 1 50 50 SER C C 53 176.608 176.608 176.219 0.389 17918 930 1 2 . 1 1 50 50 SER CA C 53 60.248 60.248 59.423 0.825 17918 931 1 2 . 1 1 50 50 SER CB C 53 65.098 65.098 64.202 0.896 17918 932 1 2 . 1 1 50 50 SER H H 53 8.124 8.124 8.252 -0.128 17918 933 1 2 . 1 1 51 51 GLY N N 54 110.581 110.581 108.798 1.783 17918 934 1 2 . 1 1 51 51 GLY C C 54 175.699 175.699 174.885 0.814 17918 935 1 2 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.835 1.596 17918 936 1 2 . 1 1 51 51 GLY H H 54 7.904 7.904 8.284 -0.380 17918 937 1 2 . 1 1 52 52 GLU N N 55 122.231 122.231 120.519 1.712 17918 938 1 2 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.125 -0.122 17918 939 1 2 . 1 1 52 52 GLU C C 55 177.647 177.647 176.842 0.805 17918 940 1 2 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.394 1.694 17918 941 1 2 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.285 1.337 17918 942 1 2 . 1 1 52 52 GLU H H 55 8.204 8.204 7.996 0.208 17918 943 1 2 . 1 1 53 53 VAL N N 56 111.615 111.615 111.270 0.345 17918 944 1 2 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.635 -0.056 17918 945 1 2 . 1 1 53 53 VAL C C 56 175.225 175.225 174.514 0.711 17918 946 1 2 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.718 -0.034 17918 947 1 2 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.830 0.703 17918 948 1 2 . 1 1 53 53 VAL H H 56 7.274 7.274 7.510 -0.236 17918 949 1 2 . 1 1 54 54 SER N N 57 119.532 119.532 113.724 5.808 17918 950 1 2 . 1 1 54 54 SER HA H 57 4.692 4.692 4.830 -0.138 17918 951 1 2 . 1 1 54 54 SER C C 57 176.092 176.092 175.394 0.698 17918 952 1 2 . 1 1 54 54 SER CA C 57 58.189 58.189 56.596 1.593 17918 953 1 2 . 1 1 54 54 SER CB C 57 66.447 66.447 65.519 0.928 17918 954 1 2 . 1 1 54 54 SER H H 57 8.637 8.637 8.261 0.376 17918 955 1 2 . 1 1 55 55 PHE N N 58 123.609 123.609 122.656 0.953 17918 956 1 2 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.118 -0.464 17918 957 1 2 . 1 1 55 55 PHE C C 58 177.469 177.469 176.756 0.713 17918 958 1 2 . 1 1 55 55 PHE CA C 58 63.857 63.857 62.271 1.586 17918 959 1 2 . 1 1 55 55 PHE CB C 58 40.966 40.966 39.069 1.897 17918 960 1 2 . 1 1 55 55 PHE H H 58 9.326 9.326 9.110 0.216 17918 961 1 2 . 1 1 56 56 GLU N N 59 116.994 116.994 118.660 -1.666 17918 962 1 2 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.205 0.000 17918 963 1 2 . 1 1 56 56 GLU C C 59 180.852 180.852 179.114 1.738 17918 964 1 2 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.179 1.188 17918 965 1 2 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.645 1.185 17918 966 1 2 . 1 1 56 56 GLU H H 59 9.464 9.464 8.666 0.798 17918 967 1 2 . 1 1 57 57 GLU N N 60 122.452 122.452 118.991 3.461 17918 968 1 2 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.049 -0.026 17918 969 1 2 . 1 1 57 57 GLU C C 60 179.899 179.899 178.747 1.152 17918 970 1 2 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.852 1.161 17918 971 1 2 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.203 1.982 17918 972 1 2 . 1 1 57 57 GLU H H 60 7.978 7.978 7.558 0.420 17918 973 1 2 . 1 1 58 58 ALA N N 61 123.053 123.053 121.572 1.481 17918 974 1 2 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.165 0.416 17918 975 1 2 . 1 1 58 58 ALA C C 61 179.854 179.854 179.420 0.434 17918 976 1 2 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.451 1.430 17918 977 1 2 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.404 2.656 17918 978 1 2 . 1 1 58 58 ALA H H 61 8.157 8.157 7.579 0.578 17918 979 1 2 . 1 1 59 59 ALA N N 62 120.029 120.029 120.536 -0.507 17918 980 1 2 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.895 -0.343 17918 981 1 2 . 1 1 59 59 ALA C C 62 181.080 181.080 179.846 1.234 17918 982 1 2 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.917 1.501 17918 983 1 2 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.532 -0.490 17918 984 1 2 . 1 1 59 59 ALA H H 62 8.540 8.540 8.464 0.076 17918 985 1 2 . 1 1 60 60 SER N N 63 113.010 113.010 111.489 1.521 17918 986 1 2 . 1 1 60 60 SER HA H 63 4.766 4.766 4.362 0.404 17918 987 1 2 . 1 1 60 60 SER C C 63 176.299 176.299 175.695 0.604 17918 988 1 2 . 1 1 60 60 SER CA C 63 62.414 62.414 61.293 1.121 17918 989 1 2 . 1 1 60 60 SER CB C 63 64.687 64.687 63.411 1.276 17918 990 1 2 . 1 1 60 60 SER H H 63 8.013 8.013 7.767 0.246 17918 991 1 2 . 1 1 61 61 GLN N N 64 115.830 115.830 116.962 -1.132 17918 992 1 2 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.351 -0.221 17918 993 1 2 . 1 1 61 61 GLN C C 64 178.579 178.579 177.128 1.451 17918 994 1 2 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.782 0.584 17918 995 1 2 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.532 1.844 17918 996 1 2 . 1 1 61 61 GLN H H 64 7.496 7.496 7.431 0.065 17918 997 1 2 . 1 1 62 62 ARG N N 65 115.716 115.716 117.511 -1.795 17918 998 1 2 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.521 -0.060 17918 999 1 2 . 1 1 62 62 ARG C C 65 176.601 176.601 176.750 -0.149 17918 1000 1 2 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.932 -2.301 17918 1001 1 2 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.021 1.635 17918 1002 1 2 . 1 1 62 62 ARG H H 65 7.693 7.693 8.613 -0.920 17918 1003 1 2 . 1 1 63 63 SER N N 66 114.680 114.680 116.042 -1.362 17918 1004 1 2 . 1 1 63 63 SER HA H 66 4.222 4.222 4.625 -0.403 17918 1005 1 2 . 1 1 63 63 SER C C 66 177.034 177.034 175.020 2.014 17918 1006 1 2 . 1 1 63 63 SER CA C 66 59.677 59.677 58.354 1.323 17918 1007 1 2 . 1 1 63 63 SER CB C 66 65.786 65.786 63.394 2.392 17918 1008 1 2 . 1 1 63 63 SER H H 66 8.528 8.528 7.707 0.821 17918 1009 1 2 . 1 1 64 64 ASP N N 67 123.612 123.612 125.857 -2.245 17918 1010 1 2 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.384 0.515 17918 1011 1 2 . 1 1 64 64 ASP C C 67 176.674 176.674 176.583 0.091 17918 1012 1 2 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.833 -0.842 17918 1013 1 2 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.394 2.263 17918 1014 1 2 . 1 1 64 64 ASP H H 67 9.645 9.645 8.779 0.866 17918 1015 1 2 . 1 1 65 65 CYS N N 68 124.716 124.716 118.366 6.350 17918 1016 1 2 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.496 -0.051 17918 1017 1 2 . 1 1 65 65 CYS C C 68 177.747 177.747 177.102 0.645 17918 1018 1 2 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.995 0.123 17918 1019 1 2 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.631 0.828 17918 1020 1 2 . 1 1 65 65 CYS H H 68 7.903 7.903 7.708 0.195 17918 1021 1 2 . 1 1 66 66 GLY N N 69 118.503 118.503 112.863 5.640 17918 1022 1 2 . 1 1 66 66 GLY C C 69 175.872 175.872 175.245 0.627 17918 1023 1 2 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.508 1.434 17918 1024 1 2 . 1 1 66 66 GLY H H 69 8.811 8.811 9.077 -0.266 17918 1025 1 2 . 1 1 67 67 SER N N 70 120.316 120.316 117.979 2.337 17918 1026 1 2 . 1 1 67 67 SER HA H 70 4.245 4.245 4.078 0.167 17918 1027 1 2 . 1 1 67 67 SER C C 70 178.404 178.404 176.101 2.303 17918 1028 1 2 . 1 1 67 67 SER CA C 70 61.611 61.611 60.225 1.386 17918 1029 1 2 . 1 1 67 67 SER CB C 70 64.297 64.297 62.424 1.873 17918 1030 1 2 . 1 1 67 67 SER H H 70 9.556 9.556 7.773 1.783 17918 1031 1 2 . 1 1 68 68 TYR N N 71 129.376 129.376 121.665 7.711 17918 1032 1 2 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.422 -0.391 17918 1033 1 2 . 1 1 68 68 TYR C C 71 177.613 177.613 177.530 0.083 17918 1034 1 2 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.840 2.553 17918 1035 1 2 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.713 0.084 17918 1036 1 2 . 1 1 68 68 TYR H H 71 8.584 8.584 8.541 0.043 17918 1037 1 2 . 1 1 69 69 ALA N N 72 122.673 122.673 122.069 0.604 17918 1038 1 2 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.928 -0.283 17918 1039 1 2 . 1 1 69 69 ALA C C 72 179.011 179.011 178.671 0.340 17918 1040 1 2 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.716 0.574 17918 1041 1 2 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.206 0.915 17918 1042 1 2 . 1 1 69 69 ALA H H 72 5.645 5.645 6.984 -1.339 17918 1043 1 2 . 1 1 70 70 SER N N 73 114.496 114.496 113.247 1.249 17918 1044 1 2 . 1 1 70 70 SER HA H 73 4.782 4.782 4.302 0.480 17918 1045 1 2 . 1 1 70 70 SER C C 73 177.320 177.320 175.599 1.721 17918 1046 1 2 . 1 1 70 70 SER CA C 73 57.287 57.287 59.091 -1.804 17918 1047 1 2 . 1 1 70 70 SER CB C 73 64.538 64.538 63.900 0.638 17918 1048 1 2 . 1 1 70 70 SER H H 73 7.654 7.654 7.364 0.290 17918 1049 1 2 . 1 1 71 71 GLY N N 74 112.182 112.182 109.755 2.427 17918 1050 1 2 . 1 1 71 71 GLY C C 74 174.379 174.379 174.439 -0.060 17918 1051 1 2 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.846 3.588 17918 1052 1 2 . 1 1 71 71 GLY H H 74 7.933 7.933 7.874 0.059 17918 1053 1 2 . 1 1 72 72 GLY N N 75 126.463 126.463 108.560 17.903 17918 1054 1 2 . 1 1 72 72 GLY C C 75 175.121 175.121 172.289 2.832 17918 1055 1 2 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.878 0.194 17918 1056 1 2 . 1 1 72 72 GLY H H 75 7.994 7.994 8.466 -0.472 17918 1057 1 2 . 1 1 73 73 ASP N N 76 118.815 118.815 119.281 -0.466 17918 1058 1 2 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.448 -0.034 17918 1059 1 2 . 1 1 73 73 ASP C C 76 177.362 177.362 175.109 2.253 17918 1060 1 2 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.211 2.912 17918 1061 1 2 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.270 0.181 17918 1062 1 2 . 1 1 73 73 ASP H H 76 6.956 6.956 7.428 -0.472 17918 1063 1 2 . 1 1 74 74 LEU N N 77 128.720 128.720 122.026 6.694 17918 1064 1 2 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.550 -0.195 17918 1065 1 2 . 1 1 74 74 LEU C C 77 179.412 179.412 177.445 1.967 17918 1066 1 2 . 1 1 74 74 LEU CA C 77 56.134 56.134 54.237 1.897 17918 1067 1 2 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.154 1.688 17918 1068 1 2 . 1 1 74 74 LEU H H 77 8.694 8.694 8.331 0.363 17918 1069 1 2 . 1 1 75 75 GLY N N 78 109.695 109.695 107.796 1.899 17918 1070 1 2 . 1 1 75 75 GLY C C 78 173.473 173.473 174.751 -1.278 17918 1071 1 2 . 1 1 75 75 GLY CA C 78 45.346 45.346 44.931 0.416 17918 1072 1 2 . 1 1 75 75 GLY H H 78 8.682 8.682 7.604 1.078 17918 1073 1 2 . 1 1 76 76 PHE N N 79 115.646 115.646 115.101 0.545 17918 1074 1 2 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.860 1.359 17918 1075 1 2 . 1 1 76 76 PHE C C 79 178.904 178.904 174.957 3.947 17918 1076 1 2 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.520 -0.064 17918 1077 1 2 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.196 3.621 17918 1078 1 2 . 1 1 76 76 PHE H H 79 8.203 8.203 7.374 0.829 17918 1079 1 2 . 1 1 77 77 PHE N N 80 119.508 119.508 116.073 3.435 17918 1080 1 2 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.927 0.210 17918 1081 1 2 . 1 1 77 77 PHE C C 80 174.331 174.331 173.588 0.743 17918 1082 1 2 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.378 0.518 17918 1083 1 2 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.022 1.441 17918 1084 1 2 . 1 1 77 77 PHE H H 80 9.112 9.112 8.737 0.375 17918 1085 1 2 . 1 1 78 78 SER N N 81 116.578 116.578 115.767 0.811 17918 1086 1 2 . 1 1 78 78 SER HA H 81 4.957 4.957 4.923 0.034 17918 1087 1 2 . 1 1 78 78 SER C C 81 176.191 176.191 175.572 0.619 17918 1088 1 2 . 1 1 78 78 SER CA C 81 58.065 58.065 57.347 0.718 17918 1089 1 2 . 1 1 78 78 SER CB C 81 66.514 66.514 63.934 2.580 17918 1090 1 2 . 1 1 78 78 SER H H 81 8.930 8.930 9.540 -0.610 17918 1091 1 2 . 1 1 79 79 SER N N 82 118.715 118.715 117.568 1.147 17918 1092 1 2 . 1 1 79 79 SER HA H 82 4.420 4.420 4.393 0.027 17918 1093 1 2 . 1 1 79 79 SER C C 82 176.946 176.946 176.289 0.657 17918 1094 1 2 . 1 1 79 79 SER CA C 82 60.988 60.988 60.474 0.514 17918 1095 1 2 . 1 1 79 79 SER CB C 82 64.242 64.242 62.675 1.567 17918 1096 1 2 . 1 1 79 79 SER H H 82 8.751 8.751 8.690 0.061 17918 1097 1 2 . 1 1 80 80 GLY N N 83 117.069 117.069 108.664 8.405 17918 1098 1 2 . 1 1 80 80 GLY C C 83 175.628 175.628 173.946 1.682 17918 1099 1 2 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.632 2.000 17918 1100 1 2 . 1 1 80 80 GLY H H 83 10.009 10.009 8.264 1.745 17918 1101 1 2 . 1 1 81 81 GLU N N 84 120.322 120.322 120.916 -0.594 17918 1102 1 2 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.348 -0.117 17918 1103 1 2 . 1 1 81 81 GLU C C 84 178.456 178.456 176.706 1.750 17918 1104 1 2 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.949 2.779 17918 1105 1 2 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.499 2.222 17918 1106 1 2 . 1 1 81 81 GLU H H 84 7.812 7.812 8.008 -0.196 17918 1107 1 2 . 1 1 82 82 MET N N 85 117.156 117.156 116.334 0.822 17918 1108 1 2 . 1 1 82 82 MET HA H 85 4.569 4.569 4.712 -0.143 17918 1109 1 2 . 1 1 82 82 MET C C 85 176.991 176.991 175.539 1.452 17918 1110 1 2 . 1 1 82 82 MET CA C 85 53.174 53.174 53.752 -0.577 17918 1111 1 2 . 1 1 82 82 MET CB C 85 34.386 34.386 33.975 0.411 17918 1112 1 2 . 1 1 82 82 MET H H 85 8.601 8.601 7.547 1.054 17918 1113 1 2 . 1 1 83 83 MET N N 86 119.413 119.413 119.435 -0.022 17918 1114 1 2 . 1 1 83 83 MET HA H 86 4.273 4.273 4.591 -0.318 17918 1115 1 2 . 1 1 83 83 MET C C 86 178.979 178.979 177.388 1.591 17918 1116 1 2 . 1 1 83 83 MET CA C 86 58.320 58.320 53.822 4.498 17918 1117 1 2 . 1 1 83 83 MET CB C 86 34.339 34.339 33.128 1.211 17918 1118 1 2 . 1 1 83 83 MET H H 86 8.413 8.413 8.382 0.031 17918 1119 1 2 . 1 1 84 84 LYS N N 87 126.834 126.834 123.737 3.097 17918 1120 1 2 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.193 0.547 17918 1121 1 2 . 1 1 84 84 LYS C C 87 175.267 175.267 176.815 -1.548 17918 1122 1 2 . 1 1 84 84 LYS CA C 87 62.461 62.461 60.679 1.782 17918 1123 1 2 . 1 1 84 84 LYS CB C 87 31.435 31.435 29.927 1.508 17918 1124 1 2 . 1 1 84 84 LYS H H 87 9.099 9.099 8.924 0.175 17918 1125 1 2 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.339 0.126 17918 1126 1 2 . 1 1 85 85 PRO C C 88 180.671 180.671 178.669 2.002 17918 1127 1 2 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.530 1.213 17918 1128 1 2 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.427 0.829 17918 1129 1 2 . 1 1 86 86 PHE N N 89 116.583 116.583 120.601 -4.018 17918 1130 1 2 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.136 -0.489 17918 1131 1 2 . 1 1 86 86 PHE C C 89 177.086 177.086 177.096 -0.010 17918 1132 1 2 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.446 1.038 17918 1133 1 2 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.134 2.376 17918 1134 1 2 . 1 1 86 86 PHE H H 89 7.102 7.102 7.516 -0.414 17918 1135 1 2 . 1 1 87 87 GLU N N 90 120.506 120.506 119.906 0.600 17918 1136 1 2 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.638 0.086 17918 1137 1 2 . 1 1 87 87 GLU C C 90 179.102 179.102 178.482 0.620 17918 1138 1 2 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.702 2.155 17918 1139 1 2 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.253 1.531 17918 1140 1 2 . 1 1 87 87 GLU H H 90 8.126 8.126 8.821 -0.695 17918 1141 1 2 . 1 1 88 88 ASP N N 91 118.355 118.355 119.193 -0.838 17918 1142 1 2 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.345 -0.110 17918 1143 1 2 . 1 1 88 88 ASP C C 91 180.067 180.067 178.112 1.955 17918 1144 1 2 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.331 0.973 17918 1145 1 2 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.681 0.345 17918 1146 1 2 . 1 1 88 88 ASP H H 91 9.121 9.121 8.319 0.802 17918 1147 1 2 . 1 1 89 89 ALA N N 92 121.718 121.718 120.774 0.944 17918 1148 1 2 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.144 -0.072 17918 1149 1 2 . 1 1 89 89 ALA C C 92 181.131 181.131 179.509 1.622 17918 1150 1 2 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.483 1.361 17918 1151 1 2 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.456 1.643 17918 1152 1 2 . 1 1 89 89 ALA H H 92 7.154 7.154 7.251 -0.097 17918 1153 1 2 . 1 1 90 90 VAL N N 93 117.315 117.315 118.242 -0.927 17918 1154 1 2 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.474 -0.059 17918 1155 1 2 . 1 1 90 90 VAL C C 93 178.908 178.908 178.184 0.724 17918 1156 1 2 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.827 1.927 17918 1157 1 2 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.230 1.119 17918 1158 1 2 . 1 1 90 90 VAL H H 93 7.797 7.797 7.347 0.450 17918 1159 1 2 . 1 1 91 91 ARG N N 94 116.826 116.826 119.461 -2.635 17918 1160 1 2 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.085 -0.231 17918 1161 1 2 . 1 1 91 91 ARG C C 94 177.858 177.858 177.627 0.231 17918 1162 1 2 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.644 1.822 17918 1163 1 2 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.297 0.791 17918 1164 1 2 . 1 1 91 91 ARG H H 94 8.154 8.154 7.904 0.250 17918 1165 1 2 . 1 1 92 92 ALA N N 95 118.849 118.849 121.970 -3.121 17918 1166 1 2 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.196 0.097 17918 1167 1 2 . 1 1 92 92 ALA C C 95 178.452 178.452 177.379 1.073 17918 1168 1 2 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.540 -0.063 17918 1169 1 2 . 1 1 92 92 ALA CB C 95 20.147 20.147 18.905 1.242 17918 1170 1 2 . 1 1 92 92 ALA H H 95 7.067 7.067 7.450 -0.383 17918 1171 1 2 . 1 1 93 93 LEU N N 96 120.871 120.871 114.129 6.742 17918 1172 1 2 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.813 -0.299 17918 1173 1 2 . 1 1 93 93 LEU C C 96 179.045 179.045 175.662 3.383 17918 1174 1 2 . 1 1 93 93 LEU CA C 96 55.163 55.163 52.773 2.389 17918 1175 1 2 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.673 1.259 17918 1176 1 2 . 1 1 93 93 LEU H H 96 7.396 7.396 7.486 -0.090 17918 1177 1 2 . 1 1 94 94 LYS N N 97 121.289 121.289 120.484 0.805 17918 1178 1 2 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.361 0.047 17918 1179 1 2 . 1 1 94 94 LYS C C 97 178.629 178.629 176.156 2.473 17918 1180 1 2 . 1 1 94 94 LYS CA C 97 56.294 56.294 55.171 1.123 17918 1181 1 2 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.529 -1.133 17918 1182 1 2 . 1 1 94 94 LYS H H 97 8.274 8.274 7.984 0.290 17918 1183 1 2 . 1 1 95 95 ILE N N 98 122.343 122.343 121.523 0.820 17918 1184 1 2 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.694 -0.629 17918 1185 1 2 . 1 1 95 95 ILE C C 98 178.406 178.406 176.751 1.655 17918 1186 1 2 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.497 2.797 17918 1187 1 2 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.502 1.659 17918 1188 1 2 . 1 1 95 95 ILE H H 98 8.396 8.396 8.497 -0.101 17918 1189 1 2 . 1 1 96 96 GLY N N 99 118.074 118.074 116.211 1.863 17918 1190 1 2 . 1 1 96 96 GLY C C 99 174.605 174.605 174.417 0.188 17918 1191 1 2 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.646 1.527 17918 1192 1 2 . 1 1 96 96 GLY H H 99 8.988 8.988 8.663 0.325 17918 1193 1 2 . 1 1 97 97 ASP N N 100 121.984 121.984 122.427 -0.443 17918 1194 1 2 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.852 -0.057 17918 1195 1 2 . 1 1 97 97 ASP C C 100 175.344 175.344 175.143 0.201 17918 1196 1 2 . 1 1 97 97 ASP CA C 100 55.037 55.037 55.320 -0.283 17918 1197 1 2 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.380 1.573 17918 1198 1 2 . 1 1 97 97 ASP H H 100 7.978 7.978 8.297 -0.319 17918 1199 1 2 . 1 1 98 98 ILE N N 101 117.483 117.483 121.587 -4.104 17918 1200 1 2 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.647 0.513 17918 1201 1 2 . 1 1 98 98 ILE C C 101 178.147 178.147 175.777 2.370 17918 1202 1 2 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.544 -0.207 17918 1203 1 2 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.650 0.643 17918 1204 1 2 . 1 1 98 98 ILE H H 101 8.048 8.048 8.439 -0.391 17918 1205 1 2 . 1 1 99 99 SER N N 102 126.778 126.778 124.794 1.984 17918 1206 1 2 . 1 1 99 99 SER HA H 102 4.526 4.526 4.991 -0.465 17918 1207 1 2 . 1 1 99 99 SER C C 102 172.735 172.735 173.135 -0.400 17918 1208 1 2 . 1 1 99 99 SER CA C 102 59.441 59.441 56.493 2.948 17918 1209 1 2 . 1 1 99 99 SER CB C 102 64.572 64.572 63.105 1.467 17918 1210 1 2 . 1 1 99 99 SER H H 102 9.722 9.722 9.187 0.535 17918 1211 1 2 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.548 0.271 17918 1212 1 2 . 1 1 100 100 PRO C C 103 176.647 176.647 176.849 -0.202 17918 1213 1 2 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.385 0.743 17918 1214 1 2 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.429 1.010 17918 1215 1 2 . 1 1 101 101 ILE N N 104 120.048 120.048 119.314 0.734 17918 1216 1 2 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.494 -0.187 17918 1217 1 2 . 1 1 101 101 ILE C C 104 178.021 178.021 176.220 1.801 17918 1218 1 2 . 1 1 101 101 ILE CA C 104 65.141 65.141 60.722 4.418 17918 1219 1 2 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.097 1.873 17918 1220 1 2 . 1 1 101 101 ILE H H 104 8.199 8.199 8.262 -0.063 17918 1221 1 2 . 1 1 102 102 VAL N N 105 130.676 130.676 128.545 2.131 17918 1222 1 2 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.415 -0.058 17918 1223 1 2 . 1 1 102 102 VAL C C 105 175.118 175.118 174.769 0.349 17918 1224 1 2 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.220 0.587 17918 1225 1 2 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.786 3.597 17918 1226 1 2 . 1 1 102 102 VAL H H 105 9.285 9.285 9.262 0.023 17918 1227 1 2 . 1 1 103 103 GLN N N 106 128.464 128.464 127.397 1.067 17918 1228 1 2 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.814 0.635 17918 1229 1 2 . 1 1 103 103 GLN C C 106 176.704 176.704 175.947 0.757 17918 1230 1 2 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.805 -0.745 17918 1231 1 2 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.609 1.423 17918 1232 1 2 . 1 1 103 103 GLN H H 106 8.900 8.900 8.817 0.083 17918 1233 1 2 . 1 1 104 104 THR N N 107 116.680 116.680 118.397 -1.717 17918 1234 1 2 . 1 1 104 104 THR HA H 107 4.978 4.978 4.718 0.260 17918 1235 1 2 . 1 1 104 104 THR C C 107 177.189 177.189 174.907 2.282 17918 1236 1 2 . 1 1 104 104 THR CA C 107 61.836 61.836 59.937 1.899 17918 1237 1 2 . 1 1 104 104 THR CB C 107 73.663 73.663 69.858 3.805 17918 1238 1 2 . 1 1 104 104 THR H H 107 9.275 9.275 8.783 0.492 17918 1239 1 2 . 1 1 105 105 ASP N N 108 119.651 119.651 120.443 -0.792 17918 1240 1 2 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.472 0.106 17918 1241 1 2 . 1 1 105 105 ASP C C 108 179.034 179.034 177.301 1.733 17918 1242 1 2 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.447 0.508 17918 1243 1 2 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.963 1.053 17918 1244 1 2 . 1 1 105 105 ASP H H 108 8.945 8.945 8.621 0.324 17918 1245 1 2 . 1 1 106 106 SER N N 109 114.257 114.257 112.213 2.044 17918 1246 1 2 . 1 1 106 106 SER HA H 109 4.642 4.642 4.355 0.287 17918 1247 1 2 . 1 1 106 106 SER C C 109 177.224 177.224 174.685 2.539 17918 1248 1 2 . 1 1 106 106 SER CA C 109 62.788 62.788 59.996 2.792 17918 1249 1 2 . 1 1 106 106 SER CB C 109 64.767 64.767 63.658 1.109 17918 1250 1 2 . 1 1 106 106 SER H H 109 8.968 8.968 8.260 0.708 17918 1251 1 2 . 1 1 107 107 GLY N N 110 111.288 111.288 106.991 4.297 17918 1252 1 2 . 1 1 107 107 GLY C C 110 169.468 169.468 172.233 -2.765 17918 1253 1 2 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.510 1.188 17918 1254 1 2 . 1 1 107 107 GLY H H 110 7.829 7.829 7.308 0.521 17918 1255 1 2 . 1 1 108 108 LEU N N 111 122.506 122.506 121.562 0.944 17918 1256 1 2 . 1 1 108 108 LEU HA H 111 5.371 5.371 4.822 0.549 17918 1257 1 2 . 1 1 108 108 LEU C C 111 175.948 175.948 175.553 0.395 17918 1258 1 2 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.030 0.246 17918 1259 1 2 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.050 0.725 17918 1260 1 2 . 1 1 108 108 LEU H H 111 8.143 8.143 8.511 -0.368 17918 1261 1 2 . 1 1 109 109 HIS N N 112 119.518 119.518 121.241 -1.723 17918 1262 1 2 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.784 0.311 17918 1263 1 2 . 1 1 109 109 HIS C C 112 179.186 179.186 174.703 4.483 17918 1264 1 2 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.986 0.394 17918 1265 1 2 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.775 0.063 17918 1266 1 2 . 1 1 109 109 HIS H H 112 9.764 9.764 8.501 1.263 17918 1267 1 2 . 1 1 110 110 ILE N N 113 113.128 113.128 119.742 -6.614 17918 1268 1 2 . 1 1 110 110 ILE HA H 113 4.459 4.459 5.180 -0.721 17918 1269 1 2 . 1 1 110 110 ILE C C 113 176.666 176.666 174.365 2.301 17918 1270 1 2 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.955 4.482 17918 1271 1 2 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.201 2.535 17918 1272 1 2 . 1 1 110 110 ILE H H 113 8.117 8.117 8.386 -0.269 17918 1273 1 2 . 1 1 111 111 ILE N N 114 125.121 125.121 123.845 1.276 17918 1274 1 2 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.156 -0.386 17918 1275 1 2 . 1 1 111 111 ILE C C 114 173.792 173.792 174.331 -0.539 17918 1276 1 2 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.981 2.003 17918 1277 1 2 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.103 1.580 17918 1278 1 2 . 1 1 111 111 ILE H H 114 8.604 8.604 8.757 -0.153 17918 1279 1 2 . 1 1 112 112 LYS N N 115 127.966 127.966 123.808 4.158 17918 1280 1 2 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.534 -0.361 17918 1281 1 2 . 1 1 112 112 LYS C C 115 177.267 177.267 175.160 2.107 17918 1282 1 2 . 1 1 112 112 LYS CA C 115 54.375 54.375 53.937 0.438 17918 1283 1 2 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.489 0.024 17918 1284 1 2 . 1 1 112 112 LYS H H 115 9.075 9.075 8.996 0.079 17918 1285 1 2 . 1 1 113 113 ARG N N 116 126.762 126.762 123.249 3.513 17918 1286 1 2 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.205 0.130 17918 1287 1 2 . 1 1 113 113 ARG C C 116 176.109 176.109 176.254 -0.145 17918 1288 1 2 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.894 1.929 17918 1289 1 2 . 1 1 113 113 ARG CB C 116 31.857 31.857 30.983 0.874 17918 1290 1 2 . 1 1 113 113 ARG H H 116 7.830 7.830 8.696 -0.866 17918 1291 1 2 . 1 1 114 114 LEU N N 117 128.545 128.545 126.511 2.034 17918 1292 1 2 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.565 0.058 17918 1293 1 2 . 1 1 114 114 LEU C C 117 176.857 176.857 175.871 0.986 17918 1294 1 2 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.304 1.688 17918 1295 1 2 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.418 1.721 17918 1296 1 2 . 1 1 114 114 LEU H H 117 8.534 8.534 8.983 -0.449 17918 1297 1 3 . 1 1 2 2 SER N N 5 117.478 117.478 115.851 1.627 17918 1298 1 3 . 1 1 2 2 SER HA H 5 4.393 4.393 4.262 0.131 17918 1299 1 3 . 1 1 2 2 SER C C 5 175.466 175.466 175.745 -0.279 17918 1300 1 3 . 1 1 2 2 SER CA C 5 59.622 59.622 60.243 -0.621 17918 1301 1 3 . 1 1 2 2 SER CB C 5 64.896 64.896 63.494 1.402 17918 1302 1 3 . 1 1 2 2 SER H H 5 8.317 8.317 8.506 -0.189 17918 1303 1 3 . 1 1 3 3 GLU N N 6 123.783 123.783 117.241 6.542 17918 1304 1 3 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.420 -0.142 17918 1305 1 3 . 1 1 3 3 GLU C C 6 177.189 177.189 175.172 2.017 17918 1306 1 3 . 1 1 3 3 GLU CA C 6 57.791 57.791 56.338 1.453 17918 1307 1 3 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.515 1.053 17918 1308 1 3 . 1 1 3 3 GLU H H 6 8.359 8.359 8.084 0.275 17918 1309 1 3 . 1 1 4 4 LYS N N 7 122.875 122.875 121.758 1.117 17918 1310 1 3 . 1 1 4 4 LYS HA H 7 4.514 4.514 5.077 -0.563 17918 1311 1 3 . 1 1 4 4 LYS C C 7 176.557 176.557 175.648 0.909 17918 1312 1 3 . 1 1 4 4 LYS CA C 7 56.826 56.826 55.885 0.941 17918 1313 1 3 . 1 1 4 4 LYS CB C 7 35.393 35.393 32.487 2.906 17918 1314 1 3 . 1 1 4 4 LYS H H 7 8.193 8.193 7.897 0.296 17918 1315 1 3 . 1 1 5 5 LEU N N 8 123.258 123.258 124.104 -0.846 17918 1316 1 3 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.595 -0.201 17918 1317 1 3 . 1 1 5 5 LEU C C 8 175.699 175.699 174.125 1.574 17918 1318 1 3 . 1 1 5 5 LEU CA C 8 54.542 54.542 52.119 2.423 17918 1319 1 3 . 1 1 5 5 LEU CB C 8 46.512 46.512 45.739 0.774 17918 1320 1 3 . 1 1 5 5 LEU H H 8 8.265 8.265 8.599 -0.334 17918 1321 1 3 . 1 1 6 6 ARG N N 9 117.197 117.197 120.920 -3.723 17918 1322 1 3 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.668 -0.064 17918 1323 1 3 . 1 1 6 6 ARG C C 9 175.633 175.633 173.926 1.707 17918 1324 1 3 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.130 2.045 17918 1325 1 3 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.764 1.656 17918 1326 1 3 . 1 1 6 6 ARG H H 9 7.759 7.759 8.253 -0.494 17918 1327 1 3 . 1 1 7 7 ALA N N 10 126.954 126.954 126.636 0.318 17918 1328 1 3 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.019 0.121 17918 1329 1 3 . 1 1 7 7 ALA C C 10 174.004 174.004 174.471 -0.467 17918 1330 1 3 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.472 0.395 17918 1331 1 3 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.029 1.978 17918 1332 1 3 . 1 1 7 7 ALA H H 10 7.637 7.637 8.615 -0.978 17918 1333 1 3 . 1 1 8 8 ALA N N 11 122.081 122.081 122.834 -0.753 17918 1334 1 3 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.626 1.164 17918 1335 1 3 . 1 1 8 8 ALA C C 11 177.446 177.446 174.983 2.463 17918 1336 1 3 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.046 0.230 17918 1337 1 3 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.682 2.939 17918 1338 1 3 . 1 1 8 8 ALA H H 11 8.991 8.991 8.767 0.224 17918 1339 1 3 . 1 1 9 9 HIS N N 12 118.002 118.002 119.288 -1.286 17918 1340 1 3 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.602 0.527 17918 1341 1 3 . 1 1 9 9 HIS C C 12 172.689 172.689 172.948 -0.259 17918 1342 1 3 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.498 1.598 17918 1343 1 3 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.138 5.594 17918 1344 1 3 . 1 1 9 9 HIS H H 12 9.489 9.489 7.939 1.550 17918 1345 1 3 . 1 1 10 10 LEU N N 13 126.276 126.276 120.559 5.717 17918 1346 1 3 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.981 -1.075 17918 1347 1 3 . 1 1 10 10 LEU C C 13 174.163 174.163 174.710 -0.547 17918 1348 1 3 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.312 3.391 17918 1349 1 3 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.073 -0.506 17918 1350 1 3 . 1 1 10 10 LEU H H 13 8.866 8.866 9.291 -0.425 17918 1351 1 3 . 1 1 11 11 LEU N N 14 127.134 127.134 127.489 -0.355 17918 1352 1 3 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.171 -0.433 17918 1353 1 3 . 1 1 11 11 LEU C C 14 175.626 175.626 174.780 0.846 17918 1354 1 3 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.365 0.238 17918 1355 1 3 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.446 1.250 17918 1356 1 3 . 1 1 11 11 LEU H H 14 7.762 7.762 8.492 -0.730 17918 1357 1 3 . 1 1 12 12 VAL N N 15 129.450 129.450 127.875 1.575 17918 1358 1 3 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.389 0.021 17918 1359 1 3 . 1 1 12 12 VAL C C 15 177.055 177.055 174.755 2.300 17918 1360 1 3 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.299 1.542 17918 1361 1 3 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.593 -0.204 17918 1362 1 3 . 1 1 12 12 VAL H H 15 9.667 9.667 8.667 1.000 17918 1363 1 3 . 1 1 13 13 LYS N N 16 127.188 127.188 126.089 1.099 17918 1364 1 3 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.497 -0.015 17918 1365 1 3 . 1 1 13 13 LYS C C 16 176.034 176.034 175.633 0.401 17918 1366 1 3 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.102 3.063 17918 1367 1 3 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.820 2.974 17918 1368 1 3 . 1 1 13 13 LYS H H 16 9.138 9.138 8.487 0.651 17918 1369 1 3 . 1 1 14 14 PHE N N 17 117.138 117.138 120.960 -3.822 17918 1370 1 3 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.927 0.327 17918 1371 1 3 . 1 1 14 14 PHE C C 17 176.588 176.588 176.567 0.021 17918 1372 1 3 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.092 2.496 17918 1373 1 3 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.695 0.664 17918 1374 1 3 . 1 1 14 14 PHE H H 17 8.617 8.617 8.100 0.517 17918 1375 1 3 . 1 1 15 15 SER N N 18 120.047 120.047 116.289 3.758 17918 1376 1 3 . 1 1 15 15 SER HA H 18 4.019 4.019 4.133 -0.114 17918 1377 1 3 . 1 1 15 15 SER C C 18 180.099 180.099 175.982 4.117 17918 1378 1 3 . 1 1 15 15 SER CA C 18 62.865 62.865 61.777 1.088 17918 1379 1 3 . 1 1 15 15 SER CB C 18 64.300 64.300 63.204 1.096 17918 1380 1 3 . 1 1 15 15 SER H H 18 9.437 9.437 9.059 0.378 17918 1381 1 3 . 1 1 16 16 GLY C C 19 175.458 175.458 174.527 0.931 17918 1382 1 3 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.845 0.937 17918 1383 1 3 . 1 1 17 17 SER N N 20 120.550 120.550 114.657 5.893 17918 1384 1 3 . 1 1 17 17 SER HA H 20 3.839 3.839 4.011 -0.172 17918 1385 1 3 . 1 1 17 17 SER C C 20 174.702 174.702 175.322 -0.620 17918 1386 1 3 . 1 1 17 17 SER CA C 20 62.099 62.099 58.289 3.810 17918 1387 1 3 . 1 1 17 17 SER CB C 20 65.081 65.081 63.547 1.534 17918 1388 1 3 . 1 1 17 17 SER H H 20 7.236 7.236 7.258 -0.022 17918 1389 1 3 . 1 1 18 18 ARG N N 21 123.998 123.998 121.860 2.138 17918 1390 1 3 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.050 0.013 17918 1391 1 3 . 1 1 18 18 ARG C C 21 177.005 177.005 176.150 0.855 17918 1392 1 3 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.098 1.497 17918 1393 1 3 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.410 -0.304 17918 1394 1 3 . 1 1 18 18 ARG H H 21 8.544 8.544 8.433 0.111 17918 1395 1 3 . 1 1 19 19 ASN N N 22 116.403 116.403 115.998 0.405 17918 1396 1 3 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.994 0.270 17918 1397 1 3 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.876 -0.056 17918 1398 1 3 . 1 1 19 19 ASN CB C 22 40.496 40.496 40.273 0.223 17918 1399 1 3 . 1 1 19 19 ASN H H 22 8.412 8.412 7.732 0.680 17918 1400 1 3 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.746 -0.408 17918 1401 1 3 . 1 1 20 20 PRO C C 23 176.381 176.381 175.144 1.237 17918 1402 1 3 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.279 2.285 17918 1403 1 3 . 1 1 20 20 PRO CB C 23 29.310 29.310 29.967 -0.657 17918 1404 1 3 . 1 1 21 21 VAL N N 24 126.905 126.905 114.533 12.372 17918 1405 1 3 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.417 -0.069 17918 1406 1 3 . 1 1 21 21 VAL C C 24 176.393 176.393 174.132 2.261 17918 1407 1 3 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.366 3.473 17918 1408 1 3 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.321 0.665 17918 1409 1 3 . 1 1 21 21 VAL H H 24 8.810 8.810 7.322 1.488 17918 1410 1 3 . 1 1 22 22 SER N N 25 121.164 121.164 116.127 5.037 17918 1411 1 3 . 1 1 22 22 SER HA H 25 4.296 4.296 4.801 -0.505 17918 1412 1 3 . 1 1 22 22 SER C C 25 178.264 178.264 175.087 3.177 17918 1413 1 3 . 1 1 22 22 SER CA C 25 59.682 59.682 55.741 3.941 17918 1414 1 3 . 1 1 22 22 SER CB C 25 64.553 64.553 66.052 -1.500 17918 1415 1 3 . 1 1 22 22 SER H H 25 8.657 8.657 8.001 0.656 17918 1416 1 3 . 1 1 23 23 ARG N N 26 129.578 129.578 126.138 3.440 17918 1417 1 3 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.961 0.383 17918 1418 1 3 . 1 1 23 23 ARG C C 26 176.541 176.541 177.503 -0.962 17918 1419 1 3 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.716 0.544 17918 1420 1 3 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.034 0.848 17918 1421 1 3 . 1 1 23 23 ARG H H 26 8.837 8.837 8.943 -0.106 17918 1422 1 3 . 1 1 24 24 ARG N N 27 119.514 119.514 117.318 2.196 17918 1423 1 3 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.172 -0.382 17918 1424 1 3 . 1 1 24 24 ARG C C 27 177.905 177.905 177.769 0.136 17918 1425 1 3 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.593 0.223 17918 1426 1 3 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.343 2.721 17918 1427 1 3 . 1 1 24 24 ARG H H 27 7.439 7.439 7.398 0.041 17918 1428 1 3 . 1 1 25 25 THR N N 28 127.221 127.221 108.532 18.689 17918 1429 1 3 . 1 1 25 25 THR HA H 28 4.258 4.258 4.429 -0.171 17918 1430 1 3 . 1 1 25 25 THR C C 28 177.078 177.078 176.336 0.742 17918 1431 1 3 . 1 1 25 25 THR CA C 28 62.291 62.291 62.360 -0.069 17918 1432 1 3 . 1 1 25 25 THR CB C 28 71.224 71.224 71.450 -0.226 17918 1433 1 3 . 1 1 25 25 THR H H 28 7.088 7.088 7.914 -0.826 17918 1434 1 3 . 1 1 26 26 GLY N N 29 110.483 110.483 112.904 -2.421 17918 1435 1 3 . 1 1 26 26 GLY C C 29 174.471 174.471 173.608 0.863 17918 1436 1 3 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.870 0.599 17918 1437 1 3 . 1 1 26 26 GLY H H 29 7.678 7.678 8.771 -1.093 17918 1438 1 3 . 1 1 27 27 ASP N N 30 120.302 120.302 119.107 1.195 17918 1439 1 3 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.887 -0.124 17918 1440 1 3 . 1 1 27 27 ASP C C 30 177.147 177.147 175.280 1.867 17918 1441 1 3 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.356 0.407 17918 1442 1 3 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.984 -0.034 17918 1443 1 3 . 1 1 27 27 ASP H H 30 8.128 8.128 8.256 -0.128 17918 1444 1 3 . 1 1 28 28 SER N N 31 113.726 113.726 113.500 0.226 17918 1445 1 3 . 1 1 28 28 SER HA H 31 4.629 4.629 4.970 -0.341 17918 1446 1 3 . 1 1 28 28 SER C C 31 178.127 178.127 173.225 4.902 17918 1447 1 3 . 1 1 28 28 SER CA C 31 58.869 58.869 57.950 0.919 17918 1448 1 3 . 1 1 28 28 SER CB C 31 64.796 64.796 66.645 -1.849 17918 1449 1 3 . 1 1 28 28 SER H H 31 8.633 8.633 7.633 1.000 17918 1450 1 3 . 1 1 29 29 THR N N 32 120.655 120.655 116.529 4.126 17918 1451 1 3 . 1 1 29 29 THR HA H 32 4.589 4.589 4.536 0.053 17918 1452 1 3 . 1 1 29 29 THR C C 32 176.368 176.368 173.178 3.190 17918 1453 1 3 . 1 1 29 29 THR CA C 32 62.892 62.892 62.224 0.668 17918 1454 1 3 . 1 1 29 29 THR CB C 32 69.624 69.624 68.966 0.658 17918 1455 1 3 . 1 1 29 29 THR H H 32 8.397 8.397 8.752 -0.355 17918 1456 1 3 . 1 1 30 30 ALA N N 33 124.923 124.923 123.930 0.993 17918 1457 1 3 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.394 -0.599 17918 1458 1 3 . 1 1 30 30 ALA C C 33 177.708 177.708 176.876 0.832 17918 1459 1 3 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.106 3.722 17918 1460 1 3 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.599 2.250 17918 1461 1 3 . 1 1 30 30 ALA H H 33 8.251 8.251 8.593 -0.342 17918 1462 1 3 . 1 1 31 31 ASP N N 34 114.016 114.016 119.401 -5.385 17918 1463 1 3 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.704 0.027 17918 1464 1 3 . 1 1 31 31 ASP C C 34 176.973 176.973 175.995 0.978 17918 1465 1 3 . 1 1 31 31 ASP CA C 34 54.581 54.581 55.332 -0.751 17918 1466 1 3 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.674 -0.774 17918 1467 1 3 . 1 1 31 31 ASP H H 34 8.398 8.398 8.167 0.231 17918 1468 1 3 . 1 1 32 32 VAL N N 35 123.637 123.637 121.391 2.246 17918 1469 1 3 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.323 -0.063 17918 1470 1 3 . 1 1 32 32 VAL C C 35 177.725 177.725 174.726 2.999 17918 1471 1 3 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.813 2.679 17918 1472 1 3 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.337 0.419 17918 1473 1 3 . 1 1 32 32 VAL H H 35 7.323 7.323 7.474 -0.151 17918 1474 1 3 . 1 1 33 33 THR N N 36 121.552 121.552 118.762 2.790 17918 1475 1 3 . 1 1 33 33 THR HA H 36 4.642 4.642 4.554 0.088 17918 1476 1 3 . 1 1 33 33 THR C C 36 176.268 176.268 175.288 0.980 17918 1477 1 3 . 1 1 33 33 THR CA C 36 62.597 62.597 59.679 2.918 17918 1478 1 3 . 1 1 33 33 THR CB C 36 72.388 72.388 70.605 1.783 17918 1479 1 3 . 1 1 33 33 THR H H 36 9.078 9.078 8.025 1.053 17918 1480 1 3 . 1 1 34 34 TYR N N 37 122.486 122.486 119.095 3.391 17918 1481 1 3 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.633 -0.199 17918 1482 1 3 . 1 1 34 34 TYR C C 37 177.216 177.216 177.586 -0.370 17918 1483 1 3 . 1 1 34 34 TYR CA C 37 63.041 63.041 59.814 3.227 17918 1484 1 3 . 1 1 34 34 TYR CB C 37 39.494 39.494 35.904 3.590 17918 1485 1 3 . 1 1 34 34 TYR H H 37 9.247 9.247 7.652 1.595 17918 1486 1 3 . 1 1 35 35 GLU N N 38 116.626 116.626 120.212 -3.586 17918 1487 1 3 . 1 1 35 35 GLU HA H 38 3.679 3.679 4.042 -0.363 17918 1488 1 3 . 1 1 35 35 GLU C C 38 180.453 180.453 179.217 1.236 17918 1489 1 3 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.845 1.600 17918 1490 1 3 . 1 1 35 35 GLU CB C 38 30.159 30.159 29.167 0.992 17918 1491 1 3 . 1 1 35 35 GLU H H 38 8.782 8.782 8.568 0.214 17918 1492 1 3 . 1 1 36 36 ASP N N 39 120.670 120.670 120.229 0.441 17918 1493 1 3 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.364 0.008 17918 1494 1 3 . 1 1 36 36 ASP C C 39 180.015 180.015 178.460 1.555 17918 1495 1 3 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.296 0.923 17918 1496 1 3 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.667 0.567 17918 1497 1 3 . 1 1 36 36 ASP H H 39 7.916 7.916 7.912 0.004 17918 1498 1 3 . 1 1 37 37 ALA N N 40 126.126 126.126 122.981 3.145 17918 1499 1 3 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.050 -0.210 17918 1500 1 3 . 1 1 37 37 ALA C C 40 179.923 179.923 179.493 0.430 17918 1501 1 3 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.248 1.097 17918 1502 1 3 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.667 1.186 17918 1503 1 3 . 1 1 37 37 ALA H H 40 8.318 8.318 8.215 0.103 17918 1504 1 3 . 1 1 38 38 ILE N N 41 118.850 118.850 118.918 -0.068 17918 1505 1 3 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.600 -0.132 17918 1506 1 3 . 1 1 38 38 ILE C C 41 179.106 179.106 177.853 1.253 17918 1507 1 3 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.107 -0.728 17918 1508 1 3 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.797 -0.506 17918 1509 1 3 . 1 1 38 38 ILE H H 41 8.151 8.151 8.403 -0.252 17918 1510 1 3 . 1 1 39 39 LYS N N 42 120.585 120.585 119.486 1.099 17918 1511 1 3 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.883 0.101 17918 1512 1 3 . 1 1 39 39 LYS C C 42 180.883 180.883 178.542 2.341 17918 1513 1 3 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.016 0.869 17918 1514 1 3 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.152 1.389 17918 1515 1 3 . 1 1 39 39 LYS H H 42 7.519 7.519 7.761 -0.242 17918 1516 1 3 . 1 1 40 40 GLU N N 43 121.167 121.167 119.834 1.333 17918 1517 1 3 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.026 0.290 17918 1518 1 3 . 1 1 40 40 GLU C C 43 179.969 179.969 178.867 1.102 17918 1519 1 3 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.134 0.872 17918 1520 1 3 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.312 1.429 17918 1521 1 3 . 1 1 40 40 GLU H H 43 7.911 7.911 7.715 0.196 17918 1522 1 3 . 1 1 41 41 LEU N N 44 121.081 121.081 120.249 0.832 17918 1523 1 3 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.223 -0.032 17918 1524 1 3 . 1 1 41 41 LEU C C 44 180.778 180.778 179.763 1.015 17918 1525 1 3 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.433 0.500 17918 1526 1 3 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.481 1.404 17918 1527 1 3 . 1 1 41 41 LEU H H 44 8.424 8.424 7.755 0.669 17918 1528 1 3 . 1 1 42 42 GLN N N 45 121.129 121.129 119.336 1.793 17918 1529 1 3 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.130 -0.101 17918 1530 1 3 . 1 1 42 42 GLN C C 45 179.911 179.911 178.785 1.126 17918 1531 1 3 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.552 1.807 17918 1532 1 3 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.361 0.661 17918 1533 1 3 . 1 1 42 42 GLN H H 45 8.971 8.971 8.142 0.829 17918 1534 1 3 . 1 1 43 43 LYS N N 46 121.830 121.830 121.008 0.822 17918 1535 1 3 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.943 0.064 17918 1536 1 3 . 1 1 43 43 LYS C C 46 180.898 180.898 178.726 2.172 17918 1537 1 3 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.345 1.299 17918 1538 1 3 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.066 0.399 17918 1539 1 3 . 1 1 43 43 LYS H H 46 7.769 7.769 7.508 0.261 17918 1540 1 3 . 1 1 44 44 TRP N N 47 119.737 119.737 120.923 -1.186 17918 1541 1 3 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.226 -0.270 17918 1542 1 3 . 1 1 44 44 TRP C C 47 179.173 179.173 178.546 0.627 17918 1543 1 3 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.839 3.207 17918 1544 1 3 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.512 0.103 17918 1545 1 3 . 1 1 44 44 TRP H H 47 8.002 8.002 8.438 -0.436 17918 1546 1 3 . 1 1 45 45 SER N N 48 114.940 114.940 113.632 1.308 17918 1547 1 3 . 1 1 45 45 SER HA H 48 4.072 4.072 4.027 0.045 17918 1548 1 3 . 1 1 45 45 SER C C 48 178.249 178.249 177.084 1.165 17918 1549 1 3 . 1 1 45 45 SER CA C 48 63.707 63.707 61.654 2.054 17918 1550 1 3 . 1 1 45 45 SER H H 48 8.901 8.901 8.515 0.386 17918 1551 1 3 . 1 1 46 46 GLN N N 49 121.411 121.411 122.746 -1.335 17918 1552 1 3 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.055 0.142 17918 1553 1 3 . 1 1 46 46 GLN C C 49 179.809 179.809 178.118 1.691 17918 1554 1 3 . 1 1 46 46 GLN CA C 49 59.859 59.859 59.018 0.841 17918 1555 1 3 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.698 0.495 17918 1556 1 3 . 1 1 46 46 GLN H H 49 7.950 7.950 7.589 0.361 17918 1557 1 3 . 1 1 47 47 ARG N N 50 121.809 121.809 119.931 1.878 17918 1558 1 3 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.130 -0.079 17918 1559 1 3 . 1 1 47 47 ARG C C 50 179.464 179.464 179.285 0.179 17918 1560 1 3 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.612 1.435 17918 1561 1 3 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.448 1.546 17918 1562 1 3 . 1 1 47 47 ARG H H 50 7.834 7.834 8.149 -0.315 17918 1563 1 3 . 1 1 48 48 ILE N N 51 120.569 120.569 118.569 2.000 17918 1564 1 3 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.206 0.282 17918 1565 1 3 . 1 1 48 48 ILE C C 51 181.848 181.848 178.013 3.835 17918 1566 1 3 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.561 0.002 17918 1567 1 3 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.957 2.736 17918 1568 1 3 . 1 1 48 48 ILE H H 51 8.127 8.127 8.664 -0.537 17918 1569 1 3 . 1 1 49 49 ALA N N 52 124.538 124.538 121.073 3.465 17918 1570 1 3 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.125 0.084 17918 1571 1 3 . 1 1 49 49 ALA C C 52 181.120 181.120 178.712 2.408 17918 1572 1 3 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.293 2.126 17918 1573 1 3 . 1 1 49 49 ALA CB C 52 19.416 19.416 18.984 0.432 17918 1574 1 3 . 1 1 49 49 ALA H H 52 8.526 8.526 7.492 1.034 17918 1575 1 3 . 1 1 50 50 SER N N 53 111.097 111.097 113.834 -2.737 17918 1576 1 3 . 1 1 50 50 SER HA H 53 4.428 4.428 4.360 0.068 17918 1577 1 3 . 1 1 50 50 SER C C 53 176.608 176.608 176.252 0.356 17918 1578 1 3 . 1 1 50 50 SER CA C 53 60.248 60.248 59.454 0.794 17918 1579 1 3 . 1 1 50 50 SER CB C 53 65.098 65.098 64.274 0.824 17918 1580 1 3 . 1 1 50 50 SER H H 53 8.124 8.124 8.304 -0.180 17918 1581 1 3 . 1 1 51 51 GLY N N 54 110.581 110.581 108.361 2.220 17918 1582 1 3 . 1 1 51 51 GLY C C 54 175.699 175.699 174.670 1.029 17918 1583 1 3 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.786 1.645 17918 1584 1 3 . 1 1 51 51 GLY H H 54 7.904 7.904 8.352 -0.448 17918 1585 1 3 . 1 1 52 52 GLU N N 55 122.231 122.231 121.015 1.216 17918 1586 1 3 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.106 -0.103 17918 1587 1 3 . 1 1 52 52 GLU C C 55 177.647 177.647 176.776 0.871 17918 1588 1 3 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.840 1.248 17918 1589 1 3 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.300 1.323 17918 1590 1 3 . 1 1 52 52 GLU H H 55 8.204 8.204 7.972 0.232 17918 1591 1 3 . 1 1 53 53 VAL N N 56 111.615 111.615 110.227 1.388 17918 1592 1 3 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.626 -0.047 17918 1593 1 3 . 1 1 53 53 VAL C C 56 175.225 175.225 174.457 0.768 17918 1594 1 3 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.932 -0.249 17918 1595 1 3 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.852 0.681 17918 1596 1 3 . 1 1 53 53 VAL H H 56 7.274 7.274 7.476 -0.202 17918 1597 1 3 . 1 1 54 54 SER N N 57 119.532 119.532 112.833 6.699 17918 1598 1 3 . 1 1 54 54 SER HA H 57 4.692 4.692 4.830 -0.138 17918 1599 1 3 . 1 1 54 54 SER C C 57 176.092 176.092 175.246 0.846 17918 1600 1 3 . 1 1 54 54 SER CA C 57 58.189 58.189 56.394 1.795 17918 1601 1 3 . 1 1 54 54 SER CB C 57 66.447 66.447 65.418 1.029 17918 1602 1 3 . 1 1 54 54 SER H H 57 8.637 8.637 8.248 0.389 17918 1603 1 3 . 1 1 55 55 PHE N N 58 123.609 123.609 123.112 0.497 17918 1604 1 3 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.179 -0.525 17918 1605 1 3 . 1 1 55 55 PHE C C 58 177.469 177.469 176.630 0.839 17918 1606 1 3 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.012 2.845 17918 1607 1 3 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.647 2.319 17918 1608 1 3 . 1 1 55 55 PHE H H 58 9.326 9.326 9.113 0.213 17918 1609 1 3 . 1 1 56 56 GLU N N 59 116.994 116.994 118.303 -1.309 17918 1610 1 3 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.456 -0.251 17918 1611 1 3 . 1 1 56 56 GLU C C 59 180.852 180.852 179.516 1.336 17918 1612 1 3 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.726 1.641 17918 1613 1 3 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.854 0.976 17918 1614 1 3 . 1 1 56 56 GLU H H 59 9.464 9.464 8.889 0.575 17918 1615 1 3 . 1 1 57 57 GLU N N 60 122.452 122.452 118.975 3.477 17918 1616 1 3 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.126 -0.103 17918 1617 1 3 . 1 1 57 57 GLU C C 60 179.899 179.899 178.354 1.545 17918 1618 1 3 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.588 1.425 17918 1619 1 3 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.469 1.716 17918 1620 1 3 . 1 1 57 57 GLU H H 60 7.978 7.978 7.627 0.351 17918 1621 1 3 . 1 1 58 58 ALA N N 61 123.053 123.053 122.370 0.683 17918 1622 1 3 . 1 1 58 58 ALA HA H 61 3.581 3.581 2.927 0.654 17918 1623 1 3 . 1 1 58 58 ALA C C 61 179.854 179.854 178.873 0.981 17918 1624 1 3 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.562 1.319 17918 1625 1 3 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.528 2.532 17918 1626 1 3 . 1 1 58 58 ALA H H 61 8.157 8.157 7.378 0.779 17918 1627 1 3 . 1 1 59 59 ALA N N 62 120.029 120.029 119.938 0.091 17918 1628 1 3 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.947 -0.395 17918 1629 1 3 . 1 1 59 59 ALA C C 62 181.080 181.080 179.539 1.541 17918 1630 1 3 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.122 1.296 17918 1631 1 3 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.360 -0.318 17918 1632 1 3 . 1 1 59 59 ALA H H 62 8.540 8.540 8.470 0.070 17918 1633 1 3 . 1 1 60 60 SER N N 63 113.010 113.010 111.563 1.447 17918 1634 1 3 . 1 1 60 60 SER HA H 63 4.766 4.766 4.382 0.384 17918 1635 1 3 . 1 1 60 60 SER C C 63 176.299 176.299 175.913 0.386 17918 1636 1 3 . 1 1 60 60 SER CA C 63 62.414 62.414 60.696 1.718 17918 1637 1 3 . 1 1 60 60 SER CB C 63 64.687 64.687 63.199 1.488 17918 1638 1 3 . 1 1 60 60 SER H H 63 8.013 8.013 7.887 0.126 17918 1639 1 3 . 1 1 61 61 GLN N N 64 115.830 115.830 117.241 -1.411 17918 1640 1 3 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.403 -0.273 17918 1641 1 3 . 1 1 61 61 GLN C C 64 178.579 178.579 177.203 1.376 17918 1642 1 3 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.676 0.690 17918 1643 1 3 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.407 1.969 17918 1644 1 3 . 1 1 61 61 GLN H H 64 7.496 7.496 7.474 0.022 17918 1645 1 3 . 1 1 62 62 ARG N N 65 115.716 115.716 116.380 -0.664 17918 1646 1 3 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.501 -0.040 17918 1647 1 3 . 1 1 62 62 ARG C C 65 176.601 176.601 176.642 -0.041 17918 1648 1 3 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.263 -2.632 17918 1649 1 3 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.233 1.423 17918 1650 1 3 . 1 1 62 62 ARG H H 65 7.693 7.693 8.339 -0.646 17918 1651 1 3 . 1 1 63 63 SER N N 66 114.680 114.680 115.220 -0.540 17918 1652 1 3 . 1 1 63 63 SER HA H 66 4.222 4.222 4.602 -0.380 17918 1653 1 3 . 1 1 63 63 SER C C 66 177.034 177.034 175.061 1.973 17918 1654 1 3 . 1 1 63 63 SER CA C 66 59.677 59.677 58.415 1.262 17918 1655 1 3 . 1 1 63 63 SER CB C 66 65.786 65.786 63.418 2.368 17918 1656 1 3 . 1 1 63 63 SER H H 66 8.528 8.528 7.685 0.843 17918 1657 1 3 . 1 1 64 64 ASP N N 67 123.612 123.612 125.967 -2.355 17918 1658 1 3 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.399 0.500 17918 1659 1 3 . 1 1 64 64 ASP C C 67 176.674 176.674 176.819 -0.145 17918 1660 1 3 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.526 -0.535 17918 1661 1 3 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.400 2.257 17918 1662 1 3 . 1 1 64 64 ASP H H 67 9.645 9.645 8.842 0.803 17918 1663 1 3 . 1 1 65 65 CYS N N 68 124.716 124.716 118.042 6.674 17918 1664 1 3 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.492 -0.047 17918 1665 1 3 . 1 1 65 65 CYS C C 68 177.747 177.747 176.760 0.987 17918 1666 1 3 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.994 0.124 17918 1667 1 3 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.355 1.104 17918 1668 1 3 . 1 1 65 65 CYS H H 68 7.903 7.903 7.752 0.151 17918 1669 1 3 . 1 1 66 66 GLY N N 69 118.503 118.503 112.544 5.959 17918 1670 1 3 . 1 1 66 66 GLY C C 69 175.872 175.872 175.396 0.476 17918 1671 1 3 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.453 1.489 17918 1672 1 3 . 1 1 66 66 GLY H H 69 8.811 8.811 9.035 -0.224 17918 1673 1 3 . 1 1 67 67 SER N N 70 120.316 120.316 118.266 2.050 17918 1674 1 3 . 1 1 67 67 SER HA H 70 4.245 4.245 4.132 0.113 17918 1675 1 3 . 1 1 67 67 SER C C 70 178.404 178.404 176.018 2.386 17918 1676 1 3 . 1 1 67 67 SER CA C 70 61.611 61.611 60.399 1.212 17918 1677 1 3 . 1 1 67 67 SER CB C 70 64.297 64.297 62.631 1.666 17918 1678 1 3 . 1 1 67 67 SER H H 70 9.556 9.556 7.790 1.766 17918 1679 1 3 . 1 1 68 68 TYR N N 71 129.376 129.376 121.788 7.588 17918 1680 1 3 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.268 -0.237 17918 1681 1 3 . 1 1 68 68 TYR C C 71 177.613 177.613 176.864 0.749 17918 1682 1 3 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.372 3.020 17918 1683 1 3 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.419 0.378 17918 1684 1 3 . 1 1 68 68 TYR H H 71 8.584 8.584 8.345 0.239 17918 1685 1 3 . 1 1 69 69 ALA N N 72 122.673 122.673 122.112 0.561 17918 1686 1 3 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.536 0.109 17918 1687 1 3 . 1 1 69 69 ALA C C 72 179.011 179.011 179.011 0.000 17918 1688 1 3 . 1 1 69 69 ALA CA C 72 54.290 54.290 54.246 0.044 17918 1689 1 3 . 1 1 69 69 ALA CB C 72 19.121 19.121 17.929 1.192 17918 1690 1 3 . 1 1 69 69 ALA H H 72 5.645 5.645 7.272 -1.627 17918 1691 1 3 . 1 1 70 70 SER N N 73 114.496 114.496 112.951 1.545 17918 1692 1 3 . 1 1 70 70 SER HA H 73 4.782 4.782 4.380 0.402 17918 1693 1 3 . 1 1 70 70 SER C C 73 177.320 177.320 175.674 1.646 17918 1694 1 3 . 1 1 70 70 SER CA C 73 57.287 57.287 58.970 -1.683 17918 1695 1 3 . 1 1 70 70 SER CB C 73 64.538 64.538 64.141 0.397 17918 1696 1 3 . 1 1 70 70 SER H H 73 7.654 7.654 7.674 -0.020 17918 1697 1 3 . 1 1 71 71 GLY N N 74 112.182 112.182 108.143 4.039 17918 1698 1 3 . 1 1 71 71 GLY C C 74 174.379 174.379 173.650 0.729 17918 1699 1 3 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.879 3.555 17918 1700 1 3 . 1 1 71 71 GLY H H 74 7.933 7.933 8.150 -0.217 17918 1701 1 3 . 1 1 72 72 GLY N N 75 126.463 126.463 108.565 17.898 17918 1702 1 3 . 1 1 72 72 GLY C C 75 175.121 175.121 172.030 3.091 17918 1703 1 3 . 1 1 72 72 GLY CA C 75 46.072 46.072 44.954 1.118 17918 1704 1 3 . 1 1 72 72 GLY H H 75 7.994 7.994 8.352 -0.358 17918 1705 1 3 . 1 1 73 73 ASP N N 76 118.815 118.815 121.081 -2.266 17918 1706 1 3 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.463 -0.049 17918 1707 1 3 . 1 1 73 73 ASP C C 76 177.362 177.362 174.624 2.738 17918 1708 1 3 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.802 2.321 17918 1709 1 3 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.887 -0.436 17918 1710 1 3 . 1 1 73 73 ASP H H 76 6.956 6.956 7.657 -0.701 17918 1711 1 3 . 1 1 74 74 LEU N N 77 128.720 128.720 123.643 5.077 17918 1712 1 3 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.499 -0.144 17918 1713 1 3 . 1 1 74 74 LEU C C 77 179.412 179.412 177.467 1.945 17918 1714 1 3 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.678 2.456 17918 1715 1 3 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.348 1.494 17918 1716 1 3 . 1 1 74 74 LEU H H 77 8.694 8.694 8.170 0.524 17918 1717 1 3 . 1 1 75 75 GLY N N 78 109.695 109.695 107.883 1.812 17918 1718 1 3 . 1 1 75 75 GLY C C 78 173.473 173.473 174.796 -1.323 17918 1719 1 3 . 1 1 75 75 GLY CA C 78 45.346 45.346 44.981 0.365 17918 1720 1 3 . 1 1 75 75 GLY H H 78 8.682 8.682 7.573 1.109 17918 1721 1 3 . 1 1 76 76 PHE N N 79 115.646 115.646 115.052 0.594 17918 1722 1 3 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.339 0.880 17918 1723 1 3 . 1 1 76 76 PHE C C 79 178.904 178.904 175.276 3.628 17918 1724 1 3 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.538 -0.082 17918 1725 1 3 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.259 3.558 17918 1726 1 3 . 1 1 76 76 PHE H H 79 8.203 8.203 7.498 0.705 17918 1727 1 3 . 1 1 77 77 PHE N N 80 119.508 119.508 116.163 3.345 17918 1728 1 3 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.961 0.176 17918 1729 1 3 . 1 1 77 77 PHE C C 80 174.331 174.331 173.457 0.874 17918 1730 1 3 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.406 0.490 17918 1731 1 3 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.710 0.753 17918 1732 1 3 . 1 1 77 77 PHE H H 80 9.112 9.112 8.891 0.221 17918 1733 1 3 . 1 1 78 78 SER N N 81 116.578 116.578 117.646 -1.068 17918 1734 1 3 . 1 1 78 78 SER HA H 81 4.957 4.957 5.143 -0.186 17918 1735 1 3 . 1 1 78 78 SER C C 81 176.191 176.191 175.795 0.396 17918 1736 1 3 . 1 1 78 78 SER CA C 81 58.065 58.065 56.764 1.301 17918 1737 1 3 . 1 1 78 78 SER CB C 81 66.514 66.514 63.834 2.680 17918 1738 1 3 . 1 1 78 78 SER H H 81 8.930 8.930 8.910 0.020 17918 1739 1 3 . 1 1 79 79 SER N N 82 118.715 118.715 121.134 -2.419 17918 1740 1 3 . 1 1 79 79 SER HA H 82 4.420 4.420 4.178 0.242 17918 1741 1 3 . 1 1 79 79 SER C C 82 176.946 176.946 176.610 0.336 17918 1742 1 3 . 1 1 79 79 SER CA C 82 60.988 60.988 60.355 0.633 17918 1743 1 3 . 1 1 79 79 SER CB C 82 64.242 64.242 61.990 2.252 17918 1744 1 3 . 1 1 79 79 SER H H 82 8.751 8.751 9.000 -0.249 17918 1745 1 3 . 1 1 80 80 GLY N N 83 117.069 117.069 109.782 7.287 17918 1746 1 3 . 1 1 80 80 GLY C C 83 175.628 175.628 173.767 1.861 17918 1747 1 3 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.997 1.635 17918 1748 1 3 . 1 1 80 80 GLY H H 83 10.009 10.009 8.513 1.496 17918 1749 1 3 . 1 1 81 81 GLU N N 84 120.322 120.322 121.756 -1.434 17918 1750 1 3 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.447 -0.216 17918 1751 1 3 . 1 1 81 81 GLU C C 84 178.456 178.456 176.384 2.072 17918 1752 1 3 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.339 3.388 17918 1753 1 3 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.766 1.955 17918 1754 1 3 . 1 1 81 81 GLU H H 84 7.812 7.812 8.552 -0.740 17918 1755 1 3 . 1 1 82 82 MET N N 85 117.156 117.156 116.528 0.628 17918 1756 1 3 . 1 1 82 82 MET HA H 85 4.569 4.569 4.792 -0.223 17918 1757 1 3 . 1 1 82 82 MET C C 85 176.991 176.991 175.573 1.418 17918 1758 1 3 . 1 1 82 82 MET CA C 85 53.174 53.174 53.713 -0.539 17918 1759 1 3 . 1 1 82 82 MET CB C 85 34.386 34.386 33.857 0.529 17918 1760 1 3 . 1 1 82 82 MET H H 85 8.601 8.601 7.593 1.008 17918 1761 1 3 . 1 1 83 83 MET N N 86 119.413 119.413 119.348 0.065 17918 1762 1 3 . 1 1 83 83 MET HA H 86 4.273 4.273 4.603 -0.330 17918 1763 1 3 . 1 1 83 83 MET C C 86 178.979 178.979 177.760 1.219 17918 1764 1 3 . 1 1 83 83 MET CA C 86 58.320 58.320 54.351 3.969 17918 1765 1 3 . 1 1 83 83 MET CB C 86 34.339 34.339 32.586 1.753 17918 1766 1 3 . 1 1 83 83 MET H H 86 8.413 8.413 8.433 -0.020 17918 1767 1 3 . 1 1 84 84 LYS N N 87 126.834 126.834 124.296 2.538 17918 1768 1 3 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.089 0.651 17918 1769 1 3 . 1 1 84 84 LYS C C 87 175.267 175.267 176.580 -1.313 17918 1770 1 3 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.597 0.864 17918 1771 1 3 . 1 1 84 84 LYS CB C 87 31.435 31.435 31.150 0.285 17918 1772 1 3 . 1 1 84 84 LYS H H 87 9.099 9.099 8.925 0.174 17918 1773 1 3 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.321 0.144 17918 1774 1 3 . 1 1 85 85 PRO C C 88 180.671 180.671 178.511 2.160 17918 1775 1 3 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.501 1.242 17918 1776 1 3 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.113 1.143 17918 1777 1 3 . 1 1 86 86 PHE N N 89 116.583 116.583 120.457 -3.874 17918 1778 1 3 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.211 -0.564 17918 1779 1 3 . 1 1 86 86 PHE C C 89 177.086 177.086 176.917 0.169 17918 1780 1 3 . 1 1 86 86 PHE CA C 89 61.484 61.484 59.504 1.980 17918 1781 1 3 . 1 1 86 86 PHE CB C 89 41.510 41.510 38.743 2.767 17918 1782 1 3 . 1 1 86 86 PHE H H 89 7.102 7.102 7.837 -0.735 17918 1783 1 3 . 1 1 87 87 GLU N N 90 120.506 120.506 120.043 0.463 17918 1784 1 3 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.611 0.113 17918 1785 1 3 . 1 1 87 87 GLU C C 90 179.102 179.102 178.619 0.483 17918 1786 1 3 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.506 2.351 17918 1787 1 3 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.213 1.571 17918 1788 1 3 . 1 1 87 87 GLU H H 90 8.126 8.126 8.753 -0.627 17918 1789 1 3 . 1 1 88 88 ASP N N 91 118.355 118.355 119.287 -0.932 17918 1790 1 3 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.350 -0.115 17918 1791 1 3 . 1 1 88 88 ASP C C 91 180.067 180.067 178.128 1.939 17918 1792 1 3 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.541 0.763 17918 1793 1 3 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.709 0.317 17918 1794 1 3 . 1 1 88 88 ASP H H 91 9.121 9.121 8.385 0.736 17918 1795 1 3 . 1 1 89 89 ALA N N 92 121.718 121.718 121.504 0.214 17918 1796 1 3 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.125 -0.053 17918 1797 1 3 . 1 1 89 89 ALA C C 92 181.131 181.131 179.745 1.386 17918 1798 1 3 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.747 1.098 17918 1799 1 3 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.397 1.702 17918 1800 1 3 . 1 1 89 89 ALA H H 92 7.154 7.154 7.300 -0.146 17918 1801 1 3 . 1 1 90 90 VAL N N 93 117.315 117.315 117.847 -0.532 17918 1802 1 3 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.490 -0.075 17918 1803 1 3 . 1 1 90 90 VAL C C 93 178.908 178.908 178.169 0.739 17918 1804 1 3 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.642 1.112 17918 1805 1 3 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.221 1.129 17918 1806 1 3 . 1 1 90 90 VAL H H 93 7.797 7.797 7.403 0.394 17918 1807 1 3 . 1 1 91 91 ARG N N 94 116.826 116.826 117.869 -1.043 17918 1808 1 3 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.054 -0.200 17918 1809 1 3 . 1 1 91 91 ARG C C 94 177.858 177.858 177.393 0.465 17918 1810 1 3 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.699 1.767 17918 1811 1 3 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.983 1.105 17918 1812 1 3 . 1 1 91 91 ARG H H 94 8.154 8.154 7.807 0.347 17918 1813 1 3 . 1 1 92 92 ALA N N 95 118.849 118.849 121.541 -2.692 17918 1814 1 3 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.277 0.016 17918 1815 1 3 . 1 1 92 92 ALA C C 95 178.452 178.452 177.634 0.818 17918 1816 1 3 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.457 0.020 17918 1817 1 3 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.204 0.943 17918 1818 1 3 . 1 1 92 92 ALA H H 95 7.067 7.067 7.463 -0.396 17918 1819 1 3 . 1 1 93 93 LEU N N 96 120.871 120.871 113.927 6.944 17918 1820 1 3 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.670 -0.156 17918 1821 1 3 . 1 1 93 93 LEU C C 96 179.045 179.045 175.628 3.417 17918 1822 1 3 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.012 2.151 17918 1823 1 3 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.916 2.016 17918 1824 1 3 . 1 1 93 93 LEU H H 96 7.396 7.396 7.377 0.019 17918 1825 1 3 . 1 1 94 94 LYS N N 97 121.289 121.289 119.712 1.577 17918 1826 1 3 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.419 -0.011 17918 1827 1 3 . 1 1 94 94 LYS C C 97 178.629 178.629 176.873 1.756 17918 1828 1 3 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.465 1.829 17918 1829 1 3 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.327 -0.932 17918 1830 1 3 . 1 1 94 94 LYS H H 97 8.274 8.274 8.295 -0.021 17918 1831 1 3 . 1 1 95 95 ILE N N 98 122.343 122.343 124.501 -2.158 17918 1832 1 3 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.657 -0.592 17918 1833 1 3 . 1 1 95 95 ILE C C 98 178.406 178.406 177.041 1.365 17918 1834 1 3 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.607 2.687 17918 1835 1 3 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.955 1.208 17918 1836 1 3 . 1 1 95 95 ILE H H 98 8.396 8.396 8.575 -0.179 17918 1837 1 3 . 1 1 96 96 GLY N N 99 118.074 118.074 116.172 1.902 17918 1838 1 3 . 1 1 96 96 GLY C C 99 174.605 174.605 174.196 0.409 17918 1839 1 3 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.480 1.693 17918 1840 1 3 . 1 1 96 96 GLY H H 99 8.988 8.988 8.811 0.177 17918 1841 1 3 . 1 1 97 97 ASP N N 100 121.984 121.984 122.264 -0.280 17918 1842 1 3 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.851 -0.056 17918 1843 1 3 . 1 1 97 97 ASP C C 100 175.344 175.344 175.173 0.171 17918 1844 1 3 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.127 0.910 17918 1845 1 3 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.718 1.235 17918 1846 1 3 . 1 1 97 97 ASP H H 100 7.978 7.978 8.561 -0.583 17918 1847 1 3 . 1 1 98 98 ILE N N 101 117.483 117.483 120.190 -2.707 17918 1848 1 3 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.533 0.627 17918 1849 1 3 . 1 1 98 98 ILE C C 101 178.147 178.147 175.868 2.279 17918 1850 1 3 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.339 -0.003 17918 1851 1 3 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.042 0.251 17918 1852 1 3 . 1 1 98 98 ILE H H 101 8.048 8.048 8.277 -0.229 17918 1853 1 3 . 1 1 99 99 SER N N 102 126.778 126.778 124.677 2.101 17918 1854 1 3 . 1 1 99 99 SER HA H 102 4.526 4.526 4.877 -0.351 17918 1855 1 3 . 1 1 99 99 SER C C 102 172.735 172.735 173.249 -0.514 17918 1856 1 3 . 1 1 99 99 SER CA C 102 59.441 59.441 56.584 2.857 17918 1857 1 3 . 1 1 99 99 SER CB C 102 64.572 64.572 63.512 1.060 17918 1858 1 3 . 1 1 99 99 SER H H 102 9.722 9.722 8.732 0.990 17918 1859 1 3 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.544 0.275 17918 1860 1 3 . 1 1 100 100 PRO C C 103 176.647 176.647 176.766 -0.119 17918 1861 1 3 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.434 0.694 17918 1862 1 3 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.659 0.780 17918 1863 1 3 . 1 1 101 101 ILE N N 104 120.048 120.048 119.052 0.996 17918 1864 1 3 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.307 0.000 17918 1865 1 3 . 1 1 101 101 ILE C C 104 178.021 178.021 176.417 1.604 17918 1866 1 3 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.686 3.455 17918 1867 1 3 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.969 1.001 17918 1868 1 3 . 1 1 101 101 ILE H H 104 8.199 8.199 8.205 -0.006 17918 1869 1 3 . 1 1 102 102 VAL N N 105 130.676 130.676 129.087 1.589 17918 1870 1 3 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.408 -0.051 17918 1871 1 3 . 1 1 102 102 VAL C C 105 175.118 175.118 174.702 0.416 17918 1872 1 3 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.174 0.633 17918 1873 1 3 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.041 3.342 17918 1874 1 3 . 1 1 102 102 VAL H H 105 9.285 9.285 9.018 0.267 17918 1875 1 3 . 1 1 103 103 GLN N N 106 128.464 128.464 126.855 1.609 17918 1876 1 3 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.599 0.850 17918 1877 1 3 . 1 1 103 103 GLN C C 106 176.704 176.704 175.863 0.841 17918 1878 1 3 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.952 -0.892 17918 1879 1 3 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.375 1.657 17918 1880 1 3 . 1 1 103 103 GLN H H 106 8.900 8.900 8.894 0.006 17918 1881 1 3 . 1 1 104 104 THR N N 107 116.680 116.680 119.434 -2.754 17918 1882 1 3 . 1 1 104 104 THR HA H 107 4.978 4.978 4.612 0.366 17918 1883 1 3 . 1 1 104 104 THR C C 107 177.189 177.189 174.391 2.798 17918 1884 1 3 . 1 1 104 104 THR CA C 107 61.836 61.836 59.798 2.038 17918 1885 1 3 . 1 1 104 104 THR CB C 107 73.663 73.663 70.301 3.362 17918 1886 1 3 . 1 1 104 104 THR H H 107 9.275 9.275 9.034 0.241 17918 1887 1 3 . 1 1 105 105 ASP N N 108 119.651 119.651 120.271 -0.620 17918 1888 1 3 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.431 0.147 17918 1889 1 3 . 1 1 105 105 ASP C C 108 179.034 179.034 176.938 2.096 17918 1890 1 3 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.906 1.049 17918 1891 1 3 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.426 1.589 17918 1892 1 3 . 1 1 105 105 ASP H H 108 8.945 8.945 8.684 0.261 17918 1893 1 3 . 1 1 106 106 SER N N 109 114.257 114.257 114.985 -0.728 17918 1894 1 3 . 1 1 106 106 SER HA H 109 4.642 4.642 4.292 0.350 17918 1895 1 3 . 1 1 106 106 SER C C 109 177.224 177.224 174.192 3.032 17918 1896 1 3 . 1 1 106 106 SER CA C 109 62.788 62.788 59.964 2.824 17918 1897 1 3 . 1 1 106 106 SER CB C 109 64.767 64.767 63.481 1.286 17918 1898 1 3 . 1 1 106 106 SER H H 109 8.968 8.968 8.280 0.688 17918 1899 1 3 . 1 1 107 107 GLY N N 110 111.288 111.288 106.576 4.712 17918 1900 1 3 . 1 1 107 107 GLY C C 110 169.468 169.468 172.233 -2.765 17918 1901 1 3 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.033 1.665 17918 1902 1 3 . 1 1 107 107 GLY H H 110 7.829 7.829 7.647 0.182 17918 1903 1 3 . 1 1 108 108 LEU N N 111 122.506 122.506 121.014 1.492 17918 1904 1 3 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.160 0.211 17918 1905 1 3 . 1 1 108 108 LEU C C 111 175.948 175.948 175.478 0.470 17918 1906 1 3 . 1 1 108 108 LEU CA C 111 54.276 54.276 53.951 0.325 17918 1907 1 3 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.678 0.097 17918 1908 1 3 . 1 1 108 108 LEU H H 111 8.143 8.143 8.674 -0.531 17918 1909 1 3 . 1 1 109 109 HIS N N 112 119.518 119.518 121.491 -1.973 17918 1910 1 3 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.761 0.334 17918 1911 1 3 . 1 1 109 109 HIS C C 112 179.186 179.186 174.690 4.496 17918 1912 1 3 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.859 0.521 17918 1913 1 3 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.656 0.182 17918 1914 1 3 . 1 1 109 109 HIS H H 112 9.764 9.764 9.171 0.593 17918 1915 1 3 . 1 1 110 110 ILE N N 113 113.128 113.128 119.595 -6.467 17918 1916 1 3 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.983 -0.524 17918 1917 1 3 . 1 1 110 110 ILE C C 113 176.666 176.666 174.276 2.390 17918 1918 1 3 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.943 4.494 17918 1919 1 3 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.631 2.105 17918 1920 1 3 . 1 1 110 110 ILE H H 113 8.117 8.117 8.471 -0.354 17918 1921 1 3 . 1 1 111 111 ILE N N 114 125.121 125.121 123.503 1.618 17918 1922 1 3 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.192 -0.422 17918 1923 1 3 . 1 1 111 111 ILE C C 114 173.792 173.792 174.618 -0.826 17918 1924 1 3 . 1 1 111 111 ILE CA C 114 61.984 61.984 60.117 1.867 17918 1925 1 3 . 1 1 111 111 ILE CB C 114 43.683 43.683 41.983 1.700 17918 1926 1 3 . 1 1 111 111 ILE H H 114 8.604 8.604 9.415 -0.811 17918 1927 1 3 . 1 1 112 112 LYS N N 115 127.966 127.966 125.464 2.502 17918 1928 1 3 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.453 -0.280 17918 1929 1 3 . 1 1 112 112 LYS C C 115 177.267 177.267 175.186 2.081 17918 1930 1 3 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.155 0.220 17918 1931 1 3 . 1 1 112 112 LYS CB C 115 36.513 36.513 35.789 0.723 17918 1932 1 3 . 1 1 112 112 LYS H H 115 9.075 9.075 9.153 -0.078 17918 1933 1 3 . 1 1 113 113 ARG N N 116 126.762 126.762 124.197 2.565 17918 1934 1 3 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.216 0.119 17918 1935 1 3 . 1 1 113 113 ARG C C 116 176.109 176.109 175.977 0.132 17918 1936 1 3 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.020 1.803 17918 1937 1 3 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.210 0.647 17918 1938 1 3 . 1 1 113 113 ARG H H 116 7.830 7.830 8.555 -0.725 17918 1939 1 3 . 1 1 114 114 LEU N N 117 128.545 128.545 126.331 2.214 17918 1940 1 3 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.511 0.112 17918 1941 1 3 . 1 1 114 114 LEU C C 117 176.857 176.857 175.755 1.102 17918 1942 1 3 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.370 1.622 17918 1943 1 3 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.273 1.866 17918 1944 1 3 . 1 1 114 114 LEU H H 117 8.534 8.534 8.978 -0.444 17918 1945 1 4 . 1 1 2 2 SER N N 5 117.478 117.478 117.518 -0.040 17918 1946 1 4 . 1 1 2 2 SER HA H 5 4.393 4.393 4.425 -0.032 17918 1947 1 4 . 1 1 2 2 SER C C 5 175.466 175.466 175.000 0.466 17918 1948 1 4 . 1 1 2 2 SER CA C 5 59.622 59.622 60.057 -0.435 17918 1949 1 4 . 1 1 2 2 SER CB C 5 64.896 64.896 63.672 1.224 17918 1950 1 4 . 1 1 2 2 SER H H 5 8.317 8.317 8.416 -0.099 17918 1951 1 4 . 1 1 3 3 GLU N N 6 123.783 123.783 119.293 4.490 17918 1952 1 4 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.542 -0.264 17918 1953 1 4 . 1 1 3 3 GLU C C 6 177.189 177.189 175.335 1.854 17918 1954 1 4 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.436 2.355 17918 1955 1 4 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.737 0.831 17918 1956 1 4 . 1 1 3 3 GLU H H 6 8.359 8.359 7.627 0.732 17918 1957 1 4 . 1 1 4 4 LYS N N 7 122.875 122.875 118.957 3.918 17918 1958 1 4 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.255 0.259 17918 1959 1 4 . 1 1 4 4 LYS C C 7 176.557 176.557 174.544 2.013 17918 1960 1 4 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.042 -0.216 17918 1961 1 4 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.221 4.172 17918 1962 1 4 . 1 1 4 4 LYS H H 7 8.193 8.193 8.459 -0.266 17918 1963 1 4 . 1 1 5 5 LEU N N 8 123.258 123.258 122.159 1.099 17918 1964 1 4 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.818 -0.424 17918 1965 1 4 . 1 1 5 5 LEU C C 8 175.699 175.699 173.680 2.019 17918 1966 1 4 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.236 1.306 17918 1967 1 4 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.842 -0.330 17918 1968 1 4 . 1 1 5 5 LEU H H 8 8.265 8.265 8.747 -0.482 17918 1969 1 4 . 1 1 6 6 ARG N N 9 117.197 117.197 119.147 -1.950 17918 1970 1 4 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.640 0.964 17918 1971 1 4 . 1 1 6 6 ARG C C 9 175.633 175.633 173.554 2.079 17918 1972 1 4 . 1 1 6 6 ARG CA C 9 57.175 57.175 54.842 2.333 17918 1973 1 4 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.920 2.500 17918 1974 1 4 . 1 1 6 6 ARG H H 9 7.759 7.759 8.480 -0.721 17918 1975 1 4 . 1 1 7 7 ALA N N 10 126.954 126.954 127.277 -0.323 17918 1976 1 4 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.055 0.085 17918 1977 1 4 . 1 1 7 7 ALA C C 10 174.004 174.004 174.839 -0.835 17918 1978 1 4 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.561 0.306 17918 1979 1 4 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.043 1.964 17918 1980 1 4 . 1 1 7 7 ALA H H 10 7.637 7.637 8.631 -0.994 17918 1981 1 4 . 1 1 8 8 ALA N N 11 122.081 122.081 123.325 -1.244 17918 1982 1 4 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.664 1.126 17918 1983 1 4 . 1 1 8 8 ALA C C 11 177.446 177.446 175.180 2.266 17918 1984 1 4 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.042 0.234 17918 1985 1 4 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.598 3.023 17918 1986 1 4 . 1 1 8 8 ALA H H 11 8.991 8.991 8.737 0.254 17918 1987 1 4 . 1 1 9 9 HIS N N 12 118.002 118.002 119.845 -1.843 17918 1988 1 4 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.637 0.492 17918 1989 1 4 . 1 1 9 9 HIS C C 12 172.689 172.689 172.987 -0.298 17918 1990 1 4 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.507 1.589 17918 1991 1 4 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.141 5.591 17918 1992 1 4 . 1 1 9 9 HIS H H 12 9.489 9.489 8.028 1.461 17918 1993 1 4 . 1 1 10 10 LEU N N 13 126.276 126.276 120.450 5.826 17918 1994 1 4 . 1 1 10 10 LEU HA H 13 3.906 3.906 5.036 -1.130 17918 1995 1 4 . 1 1 10 10 LEU C C 13 174.163 174.163 174.722 -0.559 17918 1996 1 4 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.651 3.052 17918 1997 1 4 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.101 -0.534 17918 1998 1 4 . 1 1 10 10 LEU H H 13 8.866 8.866 9.249 -0.383 17918 1999 1 4 . 1 1 11 11 LEU N N 14 127.134 127.134 126.389 0.745 17918 2000 1 4 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.587 -0.849 17918 2001 1 4 . 1 1 11 11 LEU C C 14 175.626 175.626 174.705 0.921 17918 2002 1 4 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.348 0.255 17918 2003 1 4 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.499 0.196 17918 2004 1 4 . 1 1 11 11 LEU H H 14 7.762 7.762 8.572 -0.810 17918 2005 1 4 . 1 1 12 12 VAL N N 15 129.450 129.450 128.526 0.924 17918 2006 1 4 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.737 -0.327 17918 2007 1 4 . 1 1 12 12 VAL C C 15 177.055 177.055 174.842 2.213 17918 2008 1 4 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.394 1.447 17918 2009 1 4 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.002 0.387 17918 2010 1 4 . 1 1 12 12 VAL H H 15 9.667 9.667 9.078 0.589 17918 2011 1 4 . 1 1 13 13 LYS N N 16 127.188 127.188 128.638 -1.450 17918 2012 1 4 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.716 -0.234 17918 2013 1 4 . 1 1 13 13 LYS C C 16 176.034 176.034 175.304 0.730 17918 2014 1 4 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.164 3.002 17918 2015 1 4 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.112 4.682 17918 2016 1 4 . 1 1 13 13 LYS H H 16 9.138 9.138 9.609 -0.471 17918 2017 1 4 . 1 1 14 14 PHE N N 17 117.138 117.138 121.566 -4.428 17918 2018 1 4 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.100 0.154 17918 2019 1 4 . 1 1 14 14 PHE C C 17 176.588 176.588 176.923 -0.335 17918 2020 1 4 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.273 2.315 17918 2021 1 4 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.739 0.620 17918 2022 1 4 . 1 1 14 14 PHE H H 17 8.617 8.617 8.061 0.556 17918 2023 1 4 . 1 1 15 15 SER N N 18 120.047 120.047 116.880 3.167 17918 2024 1 4 . 1 1 15 15 SER HA H 18 4.019 4.019 4.171 -0.152 17918 2025 1 4 . 1 1 15 15 SER C C 18 180.099 180.099 175.797 4.302 17918 2026 1 4 . 1 1 15 15 SER CA C 18 62.865 62.865 61.833 1.032 17918 2027 1 4 . 1 1 15 15 SER CB C 18 64.300 64.300 63.247 1.053 17918 2028 1 4 . 1 1 15 15 SER H H 18 9.437 9.437 9.081 0.356 17918 2029 1 4 . 1 1 16 16 GLY C C 19 175.458 175.458 174.686 0.772 17918 2030 1 4 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.519 1.263 17918 2031 1 4 . 1 1 17 17 SER N N 20 120.550 120.550 114.766 5.784 17918 2032 1 4 . 1 1 17 17 SER HA H 20 3.839 3.839 3.906 -0.067 17918 2033 1 4 . 1 1 17 17 SER C C 20 174.702 174.702 174.931 -0.229 17918 2034 1 4 . 1 1 17 17 SER CA C 20 62.099 62.099 57.860 4.239 17918 2035 1 4 . 1 1 17 17 SER CB C 20 65.081 65.081 64.563 0.518 17918 2036 1 4 . 1 1 17 17 SER H H 20 7.236 7.236 7.083 0.153 17918 2037 1 4 . 1 1 18 18 ARG N N 21 123.998 123.998 119.366 4.632 17918 2038 1 4 . 1 1 18 18 ARG HA H 21 4.063 4.063 3.994 0.069 17918 2039 1 4 . 1 1 18 18 ARG C C 21 177.005 177.005 176.373 0.632 17918 2040 1 4 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.509 1.086 17918 2041 1 4 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.661 -0.555 17918 2042 1 4 . 1 1 18 18 ARG H H 21 8.544 8.544 8.070 0.474 17918 2043 1 4 . 1 1 19 19 ASN N N 22 116.403 116.403 113.901 2.502 17918 2044 1 4 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.997 0.267 17918 2045 1 4 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.648 0.172 17918 2046 1 4 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.937 0.559 17918 2047 1 4 . 1 1 19 19 ASN H H 22 8.412 8.412 7.743 0.669 17918 2048 1 4 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.691 -0.353 17918 2049 1 4 . 1 1 20 20 PRO C C 23 176.381 176.381 175.425 0.956 17918 2050 1 4 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.092 2.473 17918 2051 1 4 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.313 -1.003 17918 2052 1 4 . 1 1 21 21 VAL N N 24 126.905 126.905 118.208 8.697 17918 2053 1 4 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.443 -0.095 17918 2054 1 4 . 1 1 21 21 VAL C C 24 176.393 176.393 173.735 2.658 17918 2055 1 4 . 1 1 21 21 VAL CA C 24 62.839 62.839 60.248 2.591 17918 2056 1 4 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.837 0.149 17918 2057 1 4 . 1 1 21 21 VAL H H 24 8.810 8.810 7.498 1.312 17918 2058 1 4 . 1 1 22 22 SER N N 25 121.164 121.164 117.724 3.440 17918 2059 1 4 . 1 1 22 22 SER HA H 25 4.296 4.296 4.997 -0.701 17918 2060 1 4 . 1 1 22 22 SER C C 25 178.264 178.264 175.340 2.924 17918 2061 1 4 . 1 1 22 22 SER CA C 25 59.682 59.682 55.805 3.877 17918 2062 1 4 . 1 1 22 22 SER CB C 25 64.553 64.553 65.378 -0.825 17918 2063 1 4 . 1 1 22 22 SER H H 25 8.657 8.657 7.896 0.761 17918 2064 1 4 . 1 1 23 23 ARG N N 26 129.578 129.578 124.943 4.635 17918 2065 1 4 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.030 0.314 17918 2066 1 4 . 1 1 23 23 ARG C C 26 176.541 176.541 177.681 -1.140 17918 2067 1 4 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.417 0.843 17918 2068 1 4 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.400 0.482 17918 2069 1 4 . 1 1 23 23 ARG H H 26 8.837 8.837 9.409 -0.572 17918 2070 1 4 . 1 1 24 24 ARG N N 27 119.514 119.514 115.570 3.944 17918 2071 1 4 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.204 -0.414 17918 2072 1 4 . 1 1 24 24 ARG C C 27 177.905 177.905 177.307 0.598 17918 2073 1 4 . 1 1 24 24 ARG CA C 27 58.816 58.816 57.925 0.891 17918 2074 1 4 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.721 2.343 17918 2075 1 4 . 1 1 24 24 ARG H H 27 7.439 7.439 7.750 -0.311 17918 2076 1 4 . 1 1 25 25 THR N N 28 127.221 127.221 107.816 19.405 17918 2077 1 4 . 1 1 25 25 THR HA H 28 4.258 4.258 4.457 -0.199 17918 2078 1 4 . 1 1 25 25 THR C C 28 177.078 177.078 175.767 1.311 17918 2079 1 4 . 1 1 25 25 THR CA C 28 62.291 62.291 62.134 0.157 17918 2080 1 4 . 1 1 25 25 THR CB C 28 71.224 71.224 71.771 -0.547 17918 2081 1 4 . 1 1 25 25 THR H H 28 7.088 7.088 7.536 -0.448 17918 2082 1 4 . 1 1 26 26 GLY N N 29 110.483 110.483 110.958 -0.475 17918 2083 1 4 . 1 1 26 26 GLY C C 29 174.471 174.471 173.820 0.651 17918 2084 1 4 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.657 0.812 17918 2085 1 4 . 1 1 26 26 GLY H H 29 7.678 7.678 8.714 -1.036 17918 2086 1 4 . 1 1 27 27 ASP N N 30 120.302 120.302 119.463 0.839 17918 2087 1 4 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.867 -0.104 17918 2088 1 4 . 1 1 27 27 ASP C C 30 177.147 177.147 174.996 2.151 17918 2089 1 4 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.245 0.518 17918 2090 1 4 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.407 0.542 17918 2091 1 4 . 1 1 27 27 ASP H H 30 8.128 8.128 8.093 0.035 17918 2092 1 4 . 1 1 28 28 SER N N 31 113.726 113.726 113.528 0.198 17918 2093 1 4 . 1 1 28 28 SER HA H 31 4.629 4.629 5.070 -0.441 17918 2094 1 4 . 1 1 28 28 SER C C 31 178.127 178.127 173.074 5.053 17918 2095 1 4 . 1 1 28 28 SER CA C 31 58.869 58.869 57.694 1.175 17918 2096 1 4 . 1 1 28 28 SER CB C 31 64.796 64.796 66.960 -2.164 17918 2097 1 4 . 1 1 28 28 SER H H 31 8.633 8.633 7.729 0.904 17918 2098 1 4 . 1 1 29 29 THR N N 32 120.655 120.655 117.237 3.418 17918 2099 1 4 . 1 1 29 29 THR HA H 32 4.589 4.589 4.802 -0.213 17918 2100 1 4 . 1 1 29 29 THR C C 32 176.368 176.368 173.650 2.718 17918 2101 1 4 . 1 1 29 29 THR CA C 32 62.892 62.892 61.257 1.635 17918 2102 1 4 . 1 1 29 29 THR CB C 32 69.624 69.624 68.934 0.690 17918 2103 1 4 . 1 1 29 29 THR H H 32 8.397 8.397 8.787 -0.390 17918 2104 1 4 . 1 1 30 30 ALA N N 33 124.923 124.923 124.075 0.848 17918 2105 1 4 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.394 -0.599 17918 2106 1 4 . 1 1 30 30 ALA C C 33 177.708 177.708 176.654 1.054 17918 2107 1 4 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.673 3.155 17918 2108 1 4 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.304 1.545 17918 2109 1 4 . 1 1 30 30 ALA H H 33 8.251 8.251 8.270 -0.019 17918 2110 1 4 . 1 1 31 31 ASP N N 34 114.016 114.016 116.317 -2.301 17918 2111 1 4 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.618 0.113 17918 2112 1 4 . 1 1 31 31 ASP C C 34 176.973 176.973 176.122 0.851 17918 2113 1 4 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.671 0.910 17918 2114 1 4 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.694 0.206 17918 2115 1 4 . 1 1 31 31 ASP H H 34 8.398 8.398 7.934 0.464 17918 2116 1 4 . 1 1 32 32 VAL N N 35 123.637 123.637 120.171 3.466 17918 2117 1 4 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.606 -0.346 17918 2118 1 4 . 1 1 32 32 VAL C C 35 177.725 177.725 174.201 3.524 17918 2119 1 4 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.155 3.337 17918 2120 1 4 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.111 -0.354 17918 2121 1 4 . 1 1 32 32 VAL H H 35 7.323 7.323 7.368 -0.045 17918 2122 1 4 . 1 1 33 33 THR N N 36 121.552 121.552 116.732 4.820 17918 2123 1 4 . 1 1 33 33 THR HA H 36 4.642 4.642 4.769 -0.127 17918 2124 1 4 . 1 1 33 33 THR C C 36 176.268 176.268 175.689 0.579 17918 2125 1 4 . 1 1 33 33 THR CA C 36 62.597 62.597 59.902 2.695 17918 2126 1 4 . 1 1 33 33 THR CB C 36 72.388 72.388 71.586 0.802 17918 2127 1 4 . 1 1 33 33 THR H H 36 9.078 9.078 8.137 0.941 17918 2128 1 4 . 1 1 34 34 TYR N N 37 122.486 122.486 121.382 1.104 17918 2129 1 4 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.675 -0.241 17918 2130 1 4 . 1 1 34 34 TYR C C 37 177.216 177.216 176.369 0.847 17918 2131 1 4 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.138 1.903 17918 2132 1 4 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.665 2.829 17918 2133 1 4 . 1 1 34 34 TYR H H 37 9.247 9.247 8.832 0.415 17918 2134 1 4 . 1 1 35 35 GLU N N 38 116.626 116.626 120.050 -3.424 17918 2135 1 4 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.518 0.161 17918 2136 1 4 . 1 1 35 35 GLU C C 38 180.453 180.453 178.297 2.156 17918 2137 1 4 . 1 1 35 35 GLU CA C 38 61.445 61.445 58.989 2.455 17918 2138 1 4 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.626 1.533 17918 2139 1 4 . 1 1 35 35 GLU H H 38 8.782 8.782 7.406 1.376 17918 2140 1 4 . 1 1 36 36 ASP N N 39 120.670 120.670 119.790 0.880 17918 2141 1 4 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.386 -0.014 17918 2142 1 4 . 1 1 36 36 ASP C C 39 180.015 180.015 178.374 1.641 17918 2143 1 4 . 1 1 36 36 ASP CA C 39 58.219 58.219 56.955 1.264 17918 2144 1 4 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.811 0.423 17918 2145 1 4 . 1 1 36 36 ASP H H 39 7.916 7.916 7.519 0.397 17918 2146 1 4 . 1 1 37 37 ALA N N 40 126.126 126.126 123.125 3.001 17918 2147 1 4 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.045 -0.205 17918 2148 1 4 . 1 1 37 37 ALA C C 40 179.923 179.923 179.359 0.564 17918 2149 1 4 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.307 1.038 17918 2150 1 4 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.613 1.240 17918 2151 1 4 . 1 1 37 37 ALA H H 40 8.318 8.318 8.276 0.042 17918 2152 1 4 . 1 1 38 38 ILE N N 41 118.850 118.850 118.952 -0.102 17918 2153 1 4 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.584 -0.116 17918 2154 1 4 . 1 1 38 38 ILE C C 41 179.106 179.106 177.826 1.280 17918 2155 1 4 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.069 -0.690 17918 2156 1 4 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.782 -0.491 17918 2157 1 4 . 1 1 38 38 ILE H H 41 8.151 8.151 8.089 0.062 17918 2158 1 4 . 1 1 39 39 LYS N N 42 120.585 120.585 119.361 1.224 17918 2159 1 4 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.847 0.137 17918 2160 1 4 . 1 1 39 39 LYS C C 42 180.883 180.883 178.479 2.404 17918 2161 1 4 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.013 0.872 17918 2162 1 4 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.094 1.446 17918 2163 1 4 . 1 1 39 39 LYS H H 42 7.519 7.519 7.745 -0.226 17918 2164 1 4 . 1 1 40 40 GLU N N 43 121.167 121.167 119.972 1.195 17918 2165 1 4 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.013 0.303 17918 2166 1 4 . 1 1 40 40 GLU C C 43 179.969 179.969 178.872 1.097 17918 2167 1 4 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.275 0.731 17918 2168 1 4 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.298 1.443 17918 2169 1 4 . 1 1 40 40 GLU H H 43 7.911 7.911 7.670 0.241 17918 2170 1 4 . 1 1 41 41 LEU N N 44 121.081 121.081 120.025 1.056 17918 2171 1 4 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.192 -0.001 17918 2172 1 4 . 1 1 41 41 LEU C C 44 180.778 180.778 179.775 1.003 17918 2173 1 4 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.450 0.482 17918 2174 1 4 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.465 1.419 17918 2175 1 4 . 1 1 41 41 LEU H H 44 8.424 8.424 7.728 0.696 17918 2176 1 4 . 1 1 42 42 GLN N N 45 121.129 121.129 119.576 1.553 17918 2177 1 4 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.125 -0.096 17918 2178 1 4 . 1 1 42 42 GLN C C 45 179.911 179.911 178.837 1.074 17918 2179 1 4 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.415 1.944 17918 2180 1 4 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.303 0.719 17918 2181 1 4 . 1 1 42 42 GLN H H 45 8.971 8.971 8.327 0.644 17918 2182 1 4 . 1 1 43 43 LYS N N 46 121.830 121.830 120.999 0.831 17918 2183 1 4 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.884 0.123 17918 2184 1 4 . 1 1 43 43 LYS C C 46 180.898 180.898 178.797 2.101 17918 2185 1 4 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.942 0.702 17918 2186 1 4 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.124 0.340 17918 2187 1 4 . 1 1 43 43 LYS H H 46 7.769 7.769 7.758 0.011 17918 2188 1 4 . 1 1 44 44 TRP N N 47 119.737 119.737 120.634 -0.897 17918 2189 1 4 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.280 -0.324 17918 2190 1 4 . 1 1 44 44 TRP C C 47 179.173 179.173 178.577 0.596 17918 2191 1 4 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.709 3.337 17918 2192 1 4 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.572 0.043 17918 2193 1 4 . 1 1 44 44 TRP H H 47 8.002 8.002 8.324 -0.322 17918 2194 1 4 . 1 1 45 45 SER N N 48 114.940 114.940 113.855 1.085 17918 2195 1 4 . 1 1 45 45 SER HA H 48 4.072 4.072 4.044 0.028 17918 2196 1 4 . 1 1 45 45 SER C C 48 178.249 178.249 177.141 1.108 17918 2197 1 4 . 1 1 45 45 SER CA C 48 63.707 63.707 61.714 1.993 17918 2198 1 4 . 1 1 45 45 SER H H 48 8.901 8.901 8.586 0.315 17918 2199 1 4 . 1 1 46 46 GLN N N 49 121.411 121.411 122.632 -1.221 17918 2200 1 4 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.066 0.131 17918 2201 1 4 . 1 1 46 46 GLN C C 49 179.809 179.809 178.067 1.742 17918 2202 1 4 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.971 0.888 17918 2203 1 4 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.703 0.490 17918 2204 1 4 . 1 1 46 46 GLN H H 49 7.950 7.950 7.626 0.324 17918 2205 1 4 . 1 1 47 47 ARG N N 50 121.809 121.809 120.225 1.584 17918 2206 1 4 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.114 -0.063 17918 2207 1 4 . 1 1 47 47 ARG C C 50 179.464 179.464 179.275 0.189 17918 2208 1 4 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.689 1.358 17918 2209 1 4 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.415 1.579 17918 2210 1 4 . 1 1 47 47 ARG H H 50 7.834 7.834 8.257 -0.423 17918 2211 1 4 . 1 1 48 48 ILE N N 51 120.569 120.569 118.508 2.061 17918 2212 1 4 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.274 0.214 17918 2213 1 4 . 1 1 48 48 ILE C C 51 181.848 181.848 178.052 3.796 17918 2214 1 4 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.553 0.010 17918 2215 1 4 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.967 2.726 17918 2216 1 4 . 1 1 48 48 ILE H H 51 8.127 8.127 8.640 -0.513 17918 2217 1 4 . 1 1 49 49 ALA N N 52 124.538 124.538 120.882 3.656 17918 2218 1 4 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.154 0.055 17918 2219 1 4 . 1 1 49 49 ALA C C 52 181.120 181.120 178.955 2.165 17918 2220 1 4 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.210 2.209 17918 2221 1 4 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.088 0.328 17918 2222 1 4 . 1 1 49 49 ALA H H 52 8.526 8.526 7.421 1.105 17918 2223 1 4 . 1 1 50 50 SER N N 53 111.097 111.097 114.172 -3.075 17918 2224 1 4 . 1 1 50 50 SER HA H 53 4.428 4.428 4.302 0.126 17918 2225 1 4 . 1 1 50 50 SER C C 53 176.608 176.608 176.235 0.373 17918 2226 1 4 . 1 1 50 50 SER CA C 53 60.248 60.248 59.730 0.518 17918 2227 1 4 . 1 1 50 50 SER CB C 53 65.098 65.098 64.540 0.558 17918 2228 1 4 . 1 1 50 50 SER H H 53 8.124 8.124 8.408 -0.284 17918 2229 1 4 . 1 1 51 51 GLY N N 54 110.581 110.581 109.406 1.175 17918 2230 1 4 . 1 1 51 51 GLY C C 54 175.699 175.699 174.621 1.078 17918 2231 1 4 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.768 1.663 17918 2232 1 4 . 1 1 51 51 GLY H H 54 7.904 7.904 8.313 -0.409 17918 2233 1 4 . 1 1 52 52 GLU N N 55 122.231 122.231 119.988 2.243 17918 2234 1 4 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.176 -0.173 17918 2235 1 4 . 1 1 52 52 GLU C C 55 177.647 177.647 176.776 0.871 17918 2236 1 4 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.423 1.665 17918 2237 1 4 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.299 1.325 17918 2238 1 4 . 1 1 52 52 GLU H H 55 8.204 8.204 7.992 0.212 17918 2239 1 4 . 1 1 53 53 VAL N N 56 111.615 111.615 112.115 -0.500 17918 2240 1 4 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.601 -0.022 17918 2241 1 4 . 1 1 53 53 VAL C C 56 175.225 175.225 174.461 0.764 17918 2242 1 4 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.790 -0.106 17918 2243 1 4 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.895 0.638 17918 2244 1 4 . 1 1 53 53 VAL H H 56 7.274 7.274 7.471 -0.197 17918 2245 1 4 . 1 1 54 54 SER N N 57 119.532 119.532 114.547 4.985 17918 2246 1 4 . 1 1 54 54 SER HA H 57 4.692 4.692 4.762 -0.070 17918 2247 1 4 . 1 1 54 54 SER C C 57 176.092 176.092 175.492 0.600 17918 2248 1 4 . 1 1 54 54 SER CA C 57 58.189 58.189 56.564 1.625 17918 2249 1 4 . 1 1 54 54 SER CB C 57 66.447 66.447 65.329 1.118 17918 2250 1 4 . 1 1 54 54 SER H H 57 8.637 8.637 8.215 0.422 17918 2251 1 4 . 1 1 55 55 PHE N N 58 123.609 123.609 122.594 1.015 17918 2252 1 4 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.179 -0.525 17918 2253 1 4 . 1 1 55 55 PHE C C 58 177.469 177.469 176.844 0.625 17918 2254 1 4 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.115 2.742 17918 2255 1 4 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.750 2.216 17918 2256 1 4 . 1 1 55 55 PHE H H 58 9.326 9.326 9.103 0.223 17918 2257 1 4 . 1 1 56 56 GLU N N 59 116.994 116.994 118.683 -1.689 17918 2258 1 4 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.317 -0.112 17918 2259 1 4 . 1 1 56 56 GLU C C 59 180.852 180.852 179.345 1.507 17918 2260 1 4 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.661 1.706 17918 2261 1 4 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.226 0.604 17918 2262 1 4 . 1 1 56 56 GLU H H 59 9.464 9.464 8.755 0.709 17918 2263 1 4 . 1 1 57 57 GLU N N 60 122.452 122.452 118.733 3.719 17918 2264 1 4 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.067 -0.044 17918 2265 1 4 . 1 1 57 57 GLU C C 60 179.899 179.899 178.602 1.297 17918 2266 1 4 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.705 1.308 17918 2267 1 4 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.152 2.033 17918 2268 1 4 . 1 1 57 57 GLU H H 60 7.978 7.978 7.503 0.475 17918 2269 1 4 . 1 1 58 58 ALA N N 61 123.053 123.053 122.230 0.823 17918 2270 1 4 . 1 1 58 58 ALA HA H 61 3.581 3.581 2.999 0.582 17918 2271 1 4 . 1 1 58 58 ALA C C 61 179.854 179.854 178.867 0.987 17918 2272 1 4 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.494 1.387 17918 2273 1 4 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.648 2.412 17918 2274 1 4 . 1 1 58 58 ALA H H 61 8.157 8.157 7.423 0.734 17918 2275 1 4 . 1 1 59 59 ALA N N 62 120.029 120.029 120.844 -0.815 17918 2276 1 4 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.978 -0.426 17918 2277 1 4 . 1 1 59 59 ALA C C 62 181.080 181.080 179.580 1.500 17918 2278 1 4 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.060 1.358 17918 2279 1 4 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.408 -0.366 17918 2280 1 4 . 1 1 59 59 ALA H H 62 8.540 8.540 8.538 0.002 17918 2281 1 4 . 1 1 60 60 SER N N 63 113.010 113.010 111.584 1.426 17918 2282 1 4 . 1 1 60 60 SER HA H 63 4.766 4.766 4.353 0.413 17918 2283 1 4 . 1 1 60 60 SER C C 63 176.299 176.299 176.016 0.283 17918 2284 1 4 . 1 1 60 60 SER CA C 63 62.414 62.414 60.921 1.493 17918 2285 1 4 . 1 1 60 60 SER CB C 63 64.687 64.687 63.379 1.308 17918 2286 1 4 . 1 1 60 60 SER H H 63 8.013 8.013 7.756 0.257 17918 2287 1 4 . 1 1 61 61 GLN N N 64 115.830 115.830 116.603 -0.773 17918 2288 1 4 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.376 -0.246 17918 2289 1 4 . 1 1 61 61 GLN C C 64 178.579 178.579 176.965 1.614 17918 2290 1 4 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.526 0.840 17918 2291 1 4 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.606 1.770 17918 2292 1 4 . 1 1 61 61 GLN H H 64 7.496 7.496 7.492 0.004 17918 2293 1 4 . 1 1 62 62 ARG N N 65 115.716 115.716 116.341 -0.625 17918 2294 1 4 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.523 -0.062 17918 2295 1 4 . 1 1 62 62 ARG C C 65 176.601 176.601 176.708 -0.107 17918 2296 1 4 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.777 -2.146 17918 2297 1 4 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.163 1.493 17918 2298 1 4 . 1 1 62 62 ARG H H 65 7.693 7.693 8.369 -0.676 17918 2299 1 4 . 1 1 63 63 SER N N 66 114.680 114.680 115.863 -1.183 17918 2300 1 4 . 1 1 63 63 SER HA H 66 4.222 4.222 4.704 -0.482 17918 2301 1 4 . 1 1 63 63 SER C C 66 177.034 177.034 175.339 1.695 17918 2302 1 4 . 1 1 63 63 SER CA C 66 59.677 59.677 58.389 1.288 17918 2303 1 4 . 1 1 63 63 SER CB C 66 65.786 65.786 63.017 2.769 17918 2304 1 4 . 1 1 63 63 SER H H 66 8.528 8.528 7.751 0.777 17918 2305 1 4 . 1 1 64 64 ASP N N 67 123.612 123.612 124.364 -0.752 17918 2306 1 4 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.388 0.511 17918 2307 1 4 . 1 1 64 64 ASP C C 67 176.674 176.674 176.609 0.065 17918 2308 1 4 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.065 -0.074 17918 2309 1 4 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.757 2.900 17918 2310 1 4 . 1 1 64 64 ASP H H 67 9.645 9.645 9.063 0.582 17918 2311 1 4 . 1 1 65 65 CYS N N 68 124.716 124.716 116.995 7.721 17918 2312 1 4 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.585 -0.140 17918 2313 1 4 . 1 1 65 65 CYS C C 68 177.747 177.747 177.116 0.631 17918 2314 1 4 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.570 1.548 17918 2315 1 4 . 1 1 65 65 CYS CB C 68 30.459 30.459 30.558 -0.100 17918 2316 1 4 . 1 1 65 65 CYS H H 68 7.903 7.903 7.649 0.254 17918 2317 1 4 . 1 1 66 66 GLY N N 69 118.503 118.503 111.746 6.757 17918 2318 1 4 . 1 1 66 66 GLY C C 69 175.872 175.872 175.626 0.246 17918 2319 1 4 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.097 1.845 17918 2320 1 4 . 1 1 66 66 GLY H H 69 8.811 8.811 9.006 -0.195 17918 2321 1 4 . 1 1 67 67 SER N N 70 120.316 120.316 117.700 2.616 17918 2322 1 4 . 1 1 67 67 SER HA H 70 4.245 4.245 4.114 0.131 17918 2323 1 4 . 1 1 67 67 SER C C 70 178.404 178.404 175.992 2.412 17918 2324 1 4 . 1 1 67 67 SER CA C 70 61.611 61.611 60.361 1.250 17918 2325 1 4 . 1 1 67 67 SER CB C 70 64.297 64.297 62.524 1.773 17918 2326 1 4 . 1 1 67 67 SER H H 70 9.556 9.556 7.797 1.759 17918 2327 1 4 . 1 1 68 68 TYR N N 71 129.376 129.376 122.161 7.215 17918 2328 1 4 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.290 -0.259 17918 2329 1 4 . 1 1 68 68 TYR C C 71 177.613 177.613 177.554 0.059 17918 2330 1 4 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.413 2.978 17918 2331 1 4 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.627 0.170 17918 2332 1 4 . 1 1 68 68 TYR H H 71 8.584 8.584 8.243 0.341 17918 2333 1 4 . 1 1 69 69 ALA N N 72 122.673 122.673 121.339 1.334 17918 2334 1 4 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.776 -0.131 17918 2335 1 4 . 1 1 69 69 ALA C C 72 179.011 179.011 177.949 1.062 17918 2336 1 4 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.439 0.851 17918 2337 1 4 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.303 0.818 17918 2338 1 4 . 1 1 69 69 ALA H H 72 5.645 5.645 6.918 -1.273 17918 2339 1 4 . 1 1 70 70 SER N N 73 114.496 114.496 112.428 2.068 17918 2340 1 4 . 1 1 70 70 SER HA H 73 4.782 4.782 4.538 0.244 17918 2341 1 4 . 1 1 70 70 SER C C 73 177.320 177.320 174.570 2.750 17918 2342 1 4 . 1 1 70 70 SER CA C 73 57.287 57.287 57.120 0.167 17918 2343 1 4 . 1 1 70 70 SER CB C 73 64.538 64.538 64.320 0.218 17918 2344 1 4 . 1 1 70 70 SER H H 73 7.654 7.654 7.467 0.187 17918 2345 1 4 . 1 1 71 71 GLY N N 74 112.182 112.182 108.361 3.821 17918 2346 1 4 . 1 1 71 71 GLY C C 74 174.379 174.379 175.012 -0.633 17918 2347 1 4 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.275 3.159 17918 2348 1 4 . 1 1 71 71 GLY H H 74 7.933 7.933 7.501 0.432 17918 2349 1 4 . 1 1 72 72 GLY N N 75 126.463 126.463 108.517 17.946 17918 2350 1 4 . 1 1 72 72 GLY C C 75 175.121 175.121 172.007 3.114 17918 2351 1 4 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.464 0.608 17918 2352 1 4 . 1 1 72 72 GLY H H 75 7.994 7.994 8.388 -0.394 17918 2353 1 4 . 1 1 73 73 ASP N N 76 118.815 118.815 120.721 -1.906 17918 2354 1 4 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.475 -0.061 17918 2355 1 4 . 1 1 73 73 ASP C C 76 177.362 177.362 174.843 2.519 17918 2356 1 4 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.449 2.674 17918 2357 1 4 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.992 -0.541 17918 2358 1 4 . 1 1 73 73 ASP H H 76 6.956 6.956 7.639 -0.683 17918 2359 1 4 . 1 1 74 74 LEU N N 77 128.720 128.720 123.030 5.690 17918 2360 1 4 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.618 -0.263 17918 2361 1 4 . 1 1 74 74 LEU C C 77 179.412 179.412 177.549 1.863 17918 2362 1 4 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.544 2.590 17918 2363 1 4 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.292 1.550 17918 2364 1 4 . 1 1 74 74 LEU H H 77 8.694 8.694 8.293 0.401 17918 2365 1 4 . 1 1 75 75 GLY N N 78 109.695 109.695 107.889 1.806 17918 2366 1 4 . 1 1 75 75 GLY C C 78 173.473 173.473 174.805 -1.332 17918 2367 1 4 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.133 0.213 17918 2368 1 4 . 1 1 75 75 GLY H H 78 8.682 8.682 7.616 1.066 17918 2369 1 4 . 1 1 76 76 PHE N N 79 115.646 115.646 114.828 0.818 17918 2370 1 4 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.884 1.335 17918 2371 1 4 . 1 1 76 76 PHE C C 79 178.904 178.904 175.050 3.854 17918 2372 1 4 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.420 0.036 17918 2373 1 4 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.941 3.876 17918 2374 1 4 . 1 1 76 76 PHE H H 79 8.203 8.203 7.352 0.851 17918 2375 1 4 . 1 1 77 77 PHE N N 80 119.508 119.508 117.858 1.650 17918 2376 1 4 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.041 0.096 17918 2377 1 4 . 1 1 77 77 PHE C C 80 174.331 174.331 174.004 0.327 17918 2378 1 4 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.091 0.805 17918 2379 1 4 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.229 1.234 17918 2380 1 4 . 1 1 77 77 PHE H H 80 9.112 9.112 8.600 0.512 17918 2381 1 4 . 1 1 78 78 SER N N 81 116.578 116.578 115.782 0.796 17918 2382 1 4 . 1 1 78 78 SER HA H 81 4.957 4.957 4.850 0.107 17918 2383 1 4 . 1 1 78 78 SER C C 81 176.191 176.191 175.437 0.754 17918 2384 1 4 . 1 1 78 78 SER CA C 81 58.065 58.065 58.198 -0.133 17918 2385 1 4 . 1 1 78 78 SER CB C 81 66.514 66.514 64.217 2.297 17918 2386 1 4 . 1 1 78 78 SER H H 81 8.930 8.930 9.569 -0.639 17918 2387 1 4 . 1 1 79 79 SER N N 82 118.715 118.715 116.089 2.626 17918 2388 1 4 . 1 1 79 79 SER HA H 82 4.420 4.420 4.447 -0.027 17918 2389 1 4 . 1 1 79 79 SER C C 82 176.946 176.946 175.787 1.159 17918 2390 1 4 . 1 1 79 79 SER CA C 82 60.988 60.988 60.092 0.896 17918 2391 1 4 . 1 1 79 79 SER CB C 82 64.242 64.242 62.861 1.381 17918 2392 1 4 . 1 1 79 79 SER H H 82 8.751 8.751 8.561 0.190 17918 2393 1 4 . 1 1 80 80 GLY N N 83 117.069 117.069 109.058 8.011 17918 2394 1 4 . 1 1 80 80 GLY C C 83 175.628 175.628 173.639 1.989 17918 2395 1 4 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.697 1.935 17918 2396 1 4 . 1 1 80 80 GLY H H 83 10.009 10.009 8.233 1.776 17918 2397 1 4 . 1 1 81 81 GLU N N 84 120.322 120.322 122.335 -2.013 17918 2398 1 4 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.409 -0.178 17918 2399 1 4 . 1 1 81 81 GLU C C 84 178.456 178.456 176.110 2.346 17918 2400 1 4 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.174 3.553 17918 2401 1 4 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.571 2.150 17918 2402 1 4 . 1 1 81 81 GLU H H 84 7.812 7.812 7.876 -0.064 17918 2403 1 4 . 1 1 82 82 MET N N 85 117.156 117.156 118.205 -1.049 17918 2404 1 4 . 1 1 82 82 MET HA H 85 4.569 4.569 4.436 0.133 17918 2405 1 4 . 1 1 82 82 MET C C 85 176.991 176.991 175.833 1.158 17918 2406 1 4 . 1 1 82 82 MET CA C 85 53.174 53.174 53.869 -0.695 17918 2407 1 4 . 1 1 82 82 MET CB C 85 34.386 34.386 33.097 1.289 17918 2408 1 4 . 1 1 82 82 MET H H 85 8.601 8.601 7.954 0.647 17918 2409 1 4 . 1 1 83 83 MET N N 86 119.413 119.413 119.391 0.022 17918 2410 1 4 . 1 1 83 83 MET HA H 86 4.273 4.273 4.594 -0.321 17918 2411 1 4 . 1 1 83 83 MET C C 86 178.979 178.979 177.370 1.609 17918 2412 1 4 . 1 1 83 83 MET CA C 86 58.320 58.320 52.713 5.607 17918 2413 1 4 . 1 1 83 83 MET CB C 86 34.339 34.339 33.450 0.889 17918 2414 1 4 . 1 1 83 83 MET H H 86 8.413 8.413 7.980 0.433 17918 2415 1 4 . 1 1 84 84 LYS N N 87 126.834 126.834 124.982 1.852 17918 2416 1 4 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.462 0.278 17918 2417 1 4 . 1 1 84 84 LYS C C 87 175.267 175.267 176.685 -1.418 17918 2418 1 4 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.105 1.356 17918 2419 1 4 . 1 1 84 84 LYS CB C 87 31.435 31.435 29.919 1.516 17918 2420 1 4 . 1 1 84 84 LYS H H 87 9.099 9.099 8.967 0.132 17918 2421 1 4 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.300 0.165 17918 2422 1 4 . 1 1 85 85 PRO C C 88 180.671 180.671 178.724 1.947 17918 2423 1 4 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.592 1.151 17918 2424 1 4 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.494 0.762 17918 2425 1 4 . 1 1 86 86 PHE N N 89 116.583 116.583 119.670 -3.087 17918 2426 1 4 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.099 -0.452 17918 2427 1 4 . 1 1 86 86 PHE C C 89 177.086 177.086 176.684 0.402 17918 2428 1 4 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.463 0.021 17918 2429 1 4 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.093 2.417 17918 2430 1 4 . 1 1 86 86 PHE H H 89 7.102 7.102 7.622 -0.520 17918 2431 1 4 . 1 1 87 87 GLU N N 90 120.506 120.506 118.406 2.100 17918 2432 1 4 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.895 -0.171 17918 2433 1 4 . 1 1 87 87 GLU C C 90 179.102 179.102 178.762 0.340 17918 2434 1 4 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.482 2.375 17918 2435 1 4 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.159 1.625 17918 2436 1 4 . 1 1 87 87 GLU H H 90 8.126 8.126 8.755 -0.629 17918 2437 1 4 . 1 1 88 88 ASP N N 91 118.355 118.355 119.964 -1.609 17918 2438 1 4 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.372 -0.137 17918 2439 1 4 . 1 1 88 88 ASP C C 91 180.067 180.067 178.587 1.480 17918 2440 1 4 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.218 1.086 17918 2441 1 4 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.866 0.160 17918 2442 1 4 . 1 1 88 88 ASP H H 91 9.121 9.121 8.207 0.914 17918 2443 1 4 . 1 1 89 89 ALA N N 92 121.718 121.718 122.562 -0.844 17918 2444 1 4 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.107 -0.035 17918 2445 1 4 . 1 1 89 89 ALA C C 92 181.131 181.131 179.526 1.605 17918 2446 1 4 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.775 1.070 17918 2447 1 4 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.412 1.687 17918 2448 1 4 . 1 1 89 89 ALA H H 92 7.154 7.154 7.449 -0.295 17918 2449 1 4 . 1 1 90 90 VAL N N 93 117.315 117.315 117.107 0.208 17918 2450 1 4 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.559 -0.144 17918 2451 1 4 . 1 1 90 90 VAL C C 93 178.908 178.908 177.155 1.753 17918 2452 1 4 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.832 1.922 17918 2453 1 4 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.491 0.859 17918 2454 1 4 . 1 1 90 90 VAL H H 93 7.797 7.797 7.314 0.483 17918 2455 1 4 . 1 1 91 91 ARG N N 94 116.826 116.826 117.056 -0.230 17918 2456 1 4 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.130 -0.276 17918 2457 1 4 . 1 1 91 91 ARG C C 94 177.858 177.858 177.896 -0.038 17918 2458 1 4 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.191 2.275 17918 2459 1 4 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.137 0.951 17918 2460 1 4 . 1 1 91 91 ARG H H 94 8.154 8.154 7.513 0.641 17918 2461 1 4 . 1 1 92 92 ALA N N 95 118.849 118.849 121.109 -2.260 17918 2462 1 4 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.207 0.086 17918 2463 1 4 . 1 1 92 92 ALA C C 95 178.452 178.452 177.988 0.464 17918 2464 1 4 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.779 -0.302 17918 2465 1 4 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.122 1.025 17918 2466 1 4 . 1 1 92 92 ALA H H 95 7.067 7.067 7.411 -0.344 17918 2467 1 4 . 1 1 93 93 LEU N N 96 120.871 120.871 115.065 5.806 17918 2468 1 4 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.618 -0.104 17918 2469 1 4 . 1 1 93 93 LEU C C 96 179.045 179.045 176.002 3.043 17918 2470 1 4 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.340 1.823 17918 2471 1 4 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.153 1.779 17918 2472 1 4 . 1 1 93 93 LEU H H 96 7.396 7.396 7.343 0.053 17918 2473 1 4 . 1 1 94 94 LYS N N 97 121.289 121.289 120.544 0.745 17918 2474 1 4 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.382 0.026 17918 2475 1 4 . 1 1 94 94 LYS C C 97 178.629 178.629 176.717 1.912 17918 2476 1 4 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.542 1.752 17918 2477 1 4 . 1 1 94 94 LYS CB C 97 33.395 33.395 33.929 -0.534 17918 2478 1 4 . 1 1 94 94 LYS H H 97 8.274 8.274 8.464 -0.190 17918 2479 1 4 . 1 1 95 95 ILE N N 98 122.343 122.343 123.402 -1.059 17918 2480 1 4 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.686 -0.621 17918 2481 1 4 . 1 1 95 95 ILE C C 98 178.406 178.406 176.859 1.547 17918 2482 1 4 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.535 2.759 17918 2483 1 4 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.919 1.243 17918 2484 1 4 . 1 1 95 95 ILE H H 98 8.396 8.396 8.548 -0.152 17918 2485 1 4 . 1 1 96 96 GLY N N 99 118.074 118.074 116.025 2.049 17918 2486 1 4 . 1 1 96 96 GLY C C 99 174.605 174.605 174.432 0.173 17918 2487 1 4 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.601 1.572 17918 2488 1 4 . 1 1 96 96 GLY H H 99 8.988 8.988 8.982 0.006 17918 2489 1 4 . 1 1 97 97 ASP N N 100 121.984 121.984 122.678 -0.694 17918 2490 1 4 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.840 -0.045 17918 2491 1 4 . 1 1 97 97 ASP C C 100 175.344 175.344 175.124 0.220 17918 2492 1 4 . 1 1 97 97 ASP CA C 100 55.037 55.037 55.158 -0.121 17918 2493 1 4 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.298 1.655 17918 2494 1 4 . 1 1 97 97 ASP H H 100 7.978 7.978 8.386 -0.408 17918 2495 1 4 . 1 1 98 98 ILE N N 101 117.483 117.483 120.564 -3.081 17918 2496 1 4 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.718 0.442 17918 2497 1 4 . 1 1 98 98 ILE C C 101 178.147 178.147 176.004 2.143 17918 2498 1 4 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.235 0.101 17918 2499 1 4 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.921 0.372 17918 2500 1 4 . 1 1 98 98 ILE H H 101 8.048 8.048 8.359 -0.311 17918 2501 1 4 . 1 1 99 99 SER N N 102 126.778 126.778 124.385 2.393 17918 2502 1 4 . 1 1 99 99 SER HA H 102 4.526 4.526 4.799 -0.273 17918 2503 1 4 . 1 1 99 99 SER C C 102 172.735 172.735 173.153 -0.418 17918 2504 1 4 . 1 1 99 99 SER CA C 102 59.441 59.441 56.813 2.628 17918 2505 1 4 . 1 1 99 99 SER CB C 102 64.572 64.572 63.260 1.312 17918 2506 1 4 . 1 1 99 99 SER H H 102 9.722 9.722 8.945 0.777 17918 2507 1 4 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.508 0.311 17918 2508 1 4 . 1 1 100 100 PRO C C 103 176.647 176.647 176.752 -0.105 17918 2509 1 4 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.397 0.731 17918 2510 1 4 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.420 1.019 17918 2511 1 4 . 1 1 101 101 ILE N N 104 120.048 120.048 119.012 1.036 17918 2512 1 4 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.082 0.225 17918 2513 1 4 . 1 1 101 101 ILE C C 104 178.021 178.021 176.333 1.688 17918 2514 1 4 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.931 3.210 17918 2515 1 4 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.930 1.040 17918 2516 1 4 . 1 1 101 101 ILE H H 104 8.199 8.199 8.221 -0.022 17918 2517 1 4 . 1 1 102 102 VAL N N 105 130.676 130.676 128.451 2.225 17918 2518 1 4 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.367 -0.010 17918 2519 1 4 . 1 1 102 102 VAL C C 105 175.118 175.118 174.758 0.360 17918 2520 1 4 . 1 1 102 102 VAL CA C 105 61.807 61.807 60.853 0.954 17918 2521 1 4 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.119 4.264 17918 2522 1 4 . 1 1 102 102 VAL H H 105 9.285 9.285 8.923 0.362 17918 2523 1 4 . 1 1 103 103 GLN N N 106 128.464 128.464 127.281 1.183 17918 2524 1 4 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.778 0.671 17918 2525 1 4 . 1 1 103 103 GLN C C 106 176.704 176.704 175.834 0.870 17918 2526 1 4 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.881 -0.821 17918 2527 1 4 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.381 1.651 17918 2528 1 4 . 1 1 103 103 GLN H H 106 8.900 8.900 8.885 0.015 17918 2529 1 4 . 1 1 104 104 THR N N 107 116.680 116.680 119.391 -2.711 17918 2530 1 4 . 1 1 104 104 THR HA H 107 4.978 4.978 4.705 0.273 17918 2531 1 4 . 1 1 104 104 THR C C 107 177.189 177.189 174.537 2.652 17918 2532 1 4 . 1 1 104 104 THR CA C 107 61.836 61.836 59.693 2.143 17918 2533 1 4 . 1 1 104 104 THR CB C 107 73.663 73.663 70.328 3.335 17918 2534 1 4 . 1 1 104 104 THR H H 107 9.275 9.275 8.986 0.289 17918 2535 1 4 . 1 1 105 105 ASP N N 108 119.651 119.651 121.463 -1.812 17918 2536 1 4 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.501 0.077 17918 2537 1 4 . 1 1 105 105 ASP C C 108 179.034 179.034 177.427 1.607 17918 2538 1 4 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.500 0.455 17918 2539 1 4 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.615 1.401 17918 2540 1 4 . 1 1 105 105 ASP H H 108 8.945 8.945 8.683 0.262 17918 2541 1 4 . 1 1 106 106 SER N N 109 114.257 114.257 113.056 1.201 17918 2542 1 4 . 1 1 106 106 SER HA H 109 4.642 4.642 4.333 0.309 17918 2543 1 4 . 1 1 106 106 SER C C 109 177.224 177.224 174.549 2.675 17918 2544 1 4 . 1 1 106 106 SER CA C 109 62.788 62.788 60.346 2.442 17918 2545 1 4 . 1 1 106 106 SER CB C 109 64.767 64.767 63.432 1.335 17918 2546 1 4 . 1 1 106 106 SER H H 109 8.968 8.968 8.420 0.548 17918 2547 1 4 . 1 1 107 107 GLY N N 110 111.288 111.288 106.857 4.431 17918 2548 1 4 . 1 1 107 107 GLY C C 110 169.468 169.468 172.226 -2.758 17918 2549 1 4 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.299 1.399 17918 2550 1 4 . 1 1 107 107 GLY H H 110 7.829 7.829 7.757 0.072 17918 2551 1 4 . 1 1 108 108 LEU N N 111 122.506 122.506 122.128 0.378 17918 2552 1 4 . 1 1 108 108 LEU HA H 111 5.371 5.371 4.986 0.385 17918 2553 1 4 . 1 1 108 108 LEU C C 111 175.948 175.948 175.553 0.395 17918 2554 1 4 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.203 0.073 17918 2555 1 4 . 1 1 108 108 LEU CB C 111 45.775 45.775 43.971 1.804 17918 2556 1 4 . 1 1 108 108 LEU H H 111 8.143 8.143 8.458 -0.315 17918 2557 1 4 . 1 1 109 109 HIS N N 112 119.518 119.518 123.621 -4.103 17918 2558 1 4 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.823 0.272 17918 2559 1 4 . 1 1 109 109 HIS C C 112 179.186 179.186 174.853 4.333 17918 2560 1 4 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.643 0.737 17918 2561 1 4 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.315 0.523 17918 2562 1 4 . 1 1 109 109 HIS H H 112 9.764 9.764 9.202 0.562 17918 2563 1 4 . 1 1 110 110 ILE N N 113 113.128 113.128 119.375 -6.247 17918 2564 1 4 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.957 -0.498 17918 2565 1 4 . 1 1 110 110 ILE C C 113 176.666 176.666 174.181 2.485 17918 2566 1 4 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.833 4.604 17918 2567 1 4 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.970 1.766 17918 2568 1 4 . 1 1 110 110 ILE H H 113 8.117 8.117 8.449 -0.332 17918 2569 1 4 . 1 1 111 111 ILE N N 114 125.121 125.121 121.966 3.155 17918 2570 1 4 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.217 -0.447 17918 2571 1 4 . 1 1 111 111 ILE C C 114 173.792 173.792 174.326 -0.534 17918 2572 1 4 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.720 2.264 17918 2573 1 4 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.014 1.669 17918 2574 1 4 . 1 1 111 111 ILE H H 114 8.604 8.604 9.164 -0.560 17918 2575 1 4 . 1 1 112 112 LYS N N 115 127.966 127.966 122.719 5.247 17918 2576 1 4 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.500 -0.327 17918 2577 1 4 . 1 1 112 112 LYS C C 115 177.267 177.267 175.163 2.104 17918 2578 1 4 . 1 1 112 112 LYS CA C 115 54.375 54.375 53.947 0.428 17918 2579 1 4 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.470 0.043 17918 2580 1 4 . 1 1 112 112 LYS H H 115 9.075 9.075 9.101 -0.026 17918 2581 1 4 . 1 1 113 113 ARG N N 116 126.762 126.762 123.939 2.823 17918 2582 1 4 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.259 0.076 17918 2583 1 4 . 1 1 113 113 ARG C C 116 176.109 176.109 176.079 0.030 17918 2584 1 4 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.938 1.885 17918 2585 1 4 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.069 0.788 17918 2586 1 4 . 1 1 113 113 ARG H H 116 7.830 7.830 8.562 -0.732 17918 2587 1 4 . 1 1 114 114 LEU N N 117 128.545 128.545 128.245 0.300 17918 2588 1 4 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.627 -0.004 17918 2589 1 4 . 1 1 114 114 LEU C C 117 176.857 176.857 175.818 1.039 17918 2590 1 4 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.950 1.042 17918 2591 1 4 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.247 1.892 17918 2592 1 4 . 1 1 114 114 LEU H H 117 8.534 8.534 8.833 -0.299 17918 2593 1 5 . 1 1 2 2 SER N N 5 117.478 117.478 116.954 0.524 17918 2594 1 5 . 1 1 2 2 SER HA H 5 4.393 4.393 4.384 0.009 17918 2595 1 5 . 1 1 2 2 SER C C 5 175.466 175.466 174.954 0.512 17918 2596 1 5 . 1 1 2 2 SER CA C 5 59.622 59.622 60.031 -0.409 17918 2597 1 5 . 1 1 2 2 SER CB C 5 64.896 64.896 62.919 1.977 17918 2598 1 5 . 1 1 2 2 SER H H 5 8.317 8.317 8.391 -0.074 17918 2599 1 5 . 1 1 3 3 GLU N N 6 123.783 123.783 120.601 3.182 17918 2600 1 5 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.389 -0.111 17918 2601 1 5 . 1 1 3 3 GLU C C 6 177.189 177.189 175.826 1.363 17918 2602 1 5 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.788 2.003 17918 2603 1 5 . 1 1 3 3 GLU CB C 6 31.568 31.568 31.059 0.509 17918 2604 1 5 . 1 1 3 3 GLU H H 6 8.359 8.359 7.822 0.537 17918 2605 1 5 . 1 1 4 4 LYS N N 7 122.875 122.875 118.508 4.367 17918 2606 1 5 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.357 0.157 17918 2607 1 5 . 1 1 4 4 LYS C C 7 176.557 176.557 175.130 1.427 17918 2608 1 5 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.081 -0.255 17918 2609 1 5 . 1 1 4 4 LYS CB C 7 35.393 35.393 32.205 3.188 17918 2610 1 5 . 1 1 4 4 LYS H H 7 8.193 8.193 8.566 -0.373 17918 2611 1 5 . 1 1 5 5 LEU N N 8 123.258 123.258 123.175 0.083 17918 2612 1 5 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.719 -0.325 17918 2613 1 5 . 1 1 5 5 LEU C C 8 175.699 175.699 173.238 2.461 17918 2614 1 5 . 1 1 5 5 LEU CA C 8 54.542 54.542 54.076 0.466 17918 2615 1 5 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.810 -0.298 17918 2616 1 5 . 1 1 5 5 LEU H H 8 8.265 8.265 9.035 -0.770 17918 2617 1 5 . 1 1 6 6 ARG N N 9 117.197 117.197 119.824 -2.627 17918 2618 1 5 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.551 1.053 17918 2619 1 5 . 1 1 6 6 ARG C C 9 175.633 175.633 173.327 2.306 17918 2620 1 5 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.007 2.168 17918 2621 1 5 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.213 2.207 17918 2622 1 5 . 1 1 6 6 ARG H H 9 7.759 7.759 8.218 -0.459 17918 2623 1 5 . 1 1 7 7 ALA N N 10 126.954 126.954 127.609 -0.655 17918 2624 1 5 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.030 0.110 17918 2625 1 5 . 1 1 7 7 ALA C C 10 174.004 174.004 175.157 -1.153 17918 2626 1 5 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.729 0.138 17918 2627 1 5 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.723 2.284 17918 2628 1 5 . 1 1 7 7 ALA H H 10 7.637 7.637 8.446 -0.809 17918 2629 1 5 . 1 1 8 8 ALA N N 11 122.081 122.081 124.897 -2.816 17918 2630 1 5 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.959 0.831 17918 2631 1 5 . 1 1 8 8 ALA C C 11 177.446 177.446 175.923 1.523 17918 2632 1 5 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.687 -0.411 17918 2633 1 5 . 1 1 8 8 ALA CB C 11 23.621 23.621 21.255 2.366 17918 2634 1 5 . 1 1 8 8 ALA H H 11 8.991 8.991 8.841 0.150 17918 2635 1 5 . 1 1 9 9 HIS N N 12 118.002 118.002 120.107 -2.105 17918 2636 1 5 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.824 0.305 17918 2637 1 5 . 1 1 9 9 HIS C C 12 172.689 172.689 173.150 -0.461 17918 2638 1 5 . 1 1 9 9 HIS CA C 12 55.096 55.096 54.077 1.019 17918 2639 1 5 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.195 5.537 17918 2640 1 5 . 1 1 9 9 HIS H H 12 9.489 9.489 8.375 1.114 17918 2641 1 5 . 1 1 10 10 LEU N N 13 126.276 126.276 121.415 4.861 17918 2642 1 5 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.864 -0.958 17918 2643 1 5 . 1 1 10 10 LEU C C 13 174.163 174.163 174.751 -0.588 17918 2644 1 5 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.381 3.322 17918 2645 1 5 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.184 -0.617 17918 2646 1 5 . 1 1 10 10 LEU H H 13 8.866 8.866 9.389 -0.523 17918 2647 1 5 . 1 1 11 11 LEU N N 14 127.134 127.134 125.785 1.349 17918 2648 1 5 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.355 -0.617 17918 2649 1 5 . 1 1 11 11 LEU C C 14 175.626 175.626 174.671 0.955 17918 2650 1 5 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.219 0.384 17918 2651 1 5 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.713 0.982 17918 2652 1 5 . 1 1 11 11 LEU H H 14 7.762 7.762 8.511 -0.749 17918 2653 1 5 . 1 1 12 12 VAL N N 15 129.450 129.450 128.619 0.831 17918 2654 1 5 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.465 -0.055 17918 2655 1 5 . 1 1 12 12 VAL C C 15 177.055 177.055 174.900 2.155 17918 2656 1 5 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.074 1.767 17918 2657 1 5 . 1 1 12 12 VAL CB C 15 34.389 34.389 35.023 -0.634 17918 2658 1 5 . 1 1 12 12 VAL H H 15 9.667 9.667 8.990 0.677 17918 2659 1 5 . 1 1 13 13 LYS N N 16 127.188 127.188 126.959 0.229 17918 2660 1 5 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.596 -0.114 17918 2661 1 5 . 1 1 13 13 LYS C C 16 176.034 176.034 175.625 0.409 17918 2662 1 5 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.235 2.931 17918 2663 1 5 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.735 3.059 17918 2664 1 5 . 1 1 13 13 LYS H H 16 9.138 9.138 8.388 0.750 17918 2665 1 5 . 1 1 14 14 PHE N N 17 117.138 117.138 121.417 -4.279 17918 2666 1 5 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.929 0.325 17918 2667 1 5 . 1 1 14 14 PHE C C 17 176.588 176.588 177.186 -0.598 17918 2668 1 5 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.394 2.194 17918 2669 1 5 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.414 -0.055 17918 2670 1 5 . 1 1 14 14 PHE H H 17 8.617 8.617 8.405 0.212 17918 2671 1 5 . 1 1 15 15 SER N N 18 120.047 120.047 116.994 3.053 17918 2672 1 5 . 1 1 15 15 SER HA H 18 4.019 4.019 4.181 -0.162 17918 2673 1 5 . 1 1 15 15 SER C C 18 180.099 180.099 175.841 4.258 17918 2674 1 5 . 1 1 15 15 SER CA C 18 62.865 62.865 61.783 1.082 17918 2675 1 5 . 1 1 15 15 SER CB C 18 64.300 64.300 62.810 1.490 17918 2676 1 5 . 1 1 15 15 SER H H 18 9.437 9.437 9.305 0.132 17918 2677 1 5 . 1 1 16 16 GLY C C 19 175.458 175.458 174.222 1.236 17918 2678 1 5 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.693 1.089 17918 2679 1 5 . 1 1 17 17 SER N N 20 120.550 120.550 114.577 5.973 17918 2680 1 5 . 1 1 17 17 SER HA H 20 3.839 3.839 4.060 -0.221 17918 2681 1 5 . 1 1 17 17 SER C C 20 174.702 174.702 175.272 -0.570 17918 2682 1 5 . 1 1 17 17 SER CA C 20 62.099 62.099 57.970 4.129 17918 2683 1 5 . 1 1 17 17 SER CB C 20 65.081 65.081 63.786 1.295 17918 2684 1 5 . 1 1 17 17 SER H H 20 7.236 7.236 7.243 -0.007 17918 2685 1 5 . 1 1 18 18 ARG N N 21 123.998 123.998 122.338 1.660 17918 2686 1 5 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.035 0.028 17918 2687 1 5 . 1 1 18 18 ARG C C 21 177.005 177.005 176.328 0.677 17918 2688 1 5 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.302 1.293 17918 2689 1 5 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.426 -0.320 17918 2690 1 5 . 1 1 18 18 ARG H H 21 8.544 8.544 8.333 0.211 17918 2691 1 5 . 1 1 19 19 ASN N N 22 116.403 116.403 116.298 0.105 17918 2692 1 5 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.048 0.216 17918 2693 1 5 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.562 0.258 17918 2694 1 5 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.640 0.856 17918 2695 1 5 . 1 1 19 19 ASN H H 22 8.412 8.412 7.843 0.569 17918 2696 1 5 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.529 -0.191 17918 2697 1 5 . 1 1 20 20 PRO C C 23 176.381 176.381 175.222 1.159 17918 2698 1 5 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.534 2.030 17918 2699 1 5 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.256 -0.946 17918 2700 1 5 . 1 1 21 21 VAL N N 24 126.905 126.905 114.327 12.578 17918 2701 1 5 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.540 -0.192 17918 2702 1 5 . 1 1 21 21 VAL C C 24 176.393 176.393 173.908 2.485 17918 2703 1 5 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.399 3.440 17918 2704 1 5 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.692 0.294 17918 2705 1 5 . 1 1 21 21 VAL H H 24 8.810 8.810 7.572 1.238 17918 2706 1 5 . 1 1 22 22 SER N N 25 121.164 121.164 117.211 3.953 17918 2707 1 5 . 1 1 22 22 SER HA H 25 4.296 4.296 4.834 -0.538 17918 2708 1 5 . 1 1 22 22 SER C C 25 178.264 178.264 175.345 2.919 17918 2709 1 5 . 1 1 22 22 SER CA C 25 59.682 59.682 55.811 3.871 17918 2710 1 5 . 1 1 22 22 SER CB C 25 64.553 64.553 65.709 -1.155 17918 2711 1 5 . 1 1 22 22 SER H H 25 8.657 8.657 7.813 0.844 17918 2712 1 5 . 1 1 23 23 ARG N N 26 129.578 129.578 124.664 4.914 17918 2713 1 5 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.943 0.401 17918 2714 1 5 . 1 1 23 23 ARG C C 26 176.541 176.541 177.407 -0.866 17918 2715 1 5 . 1 1 23 23 ARG CA C 26 57.260 57.260 57.088 0.172 17918 2716 1 5 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.108 0.774 17918 2717 1 5 . 1 1 23 23 ARG H H 26 8.837 8.837 8.921 -0.084 17918 2718 1 5 . 1 1 24 24 ARG N N 27 119.514 119.514 116.997 2.517 17918 2719 1 5 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.247 -0.457 17918 2720 1 5 . 1 1 24 24 ARG C C 27 177.905 177.905 177.661 0.244 17918 2721 1 5 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.442 0.374 17918 2722 1 5 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.531 2.533 17918 2723 1 5 . 1 1 24 24 ARG H H 27 7.439 7.439 7.484 -0.045 17918 2724 1 5 . 1 1 25 25 THR N N 28 127.221 127.221 107.484 19.737 17918 2725 1 5 . 1 1 25 25 THR HA H 28 4.258 4.258 4.474 -0.216 17918 2726 1 5 . 1 1 25 25 THR C C 28 177.078 177.078 175.951 1.127 17918 2727 1 5 . 1 1 25 25 THR CA C 28 62.291 62.291 62.177 0.114 17918 2728 1 5 . 1 1 25 25 THR CB C 28 71.224 71.224 71.172 0.052 17918 2729 1 5 . 1 1 25 25 THR H H 28 7.088 7.088 7.863 -0.775 17918 2730 1 5 . 1 1 26 26 GLY N N 29 110.483 110.483 112.077 -1.594 17918 2731 1 5 . 1 1 26 26 GLY C C 29 174.471 174.471 173.577 0.894 17918 2732 1 5 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.807 0.662 17918 2733 1 5 . 1 1 26 26 GLY H H 29 7.678 7.678 8.738 -1.060 17918 2734 1 5 . 1 1 27 27 ASP N N 30 120.302 120.302 119.277 1.025 17918 2735 1 5 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.805 -0.042 17918 2736 1 5 . 1 1 27 27 ASP C C 30 177.147 177.147 174.660 2.487 17918 2737 1 5 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.455 0.308 17918 2738 1 5 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.585 0.365 17918 2739 1 5 . 1 1 27 27 ASP H H 30 8.128 8.128 8.112 0.016 17918 2740 1 5 . 1 1 28 28 SER N N 31 113.726 113.726 114.034 -0.308 17918 2741 1 5 . 1 1 28 28 SER HA H 31 4.629 4.629 5.089 -0.460 17918 2742 1 5 . 1 1 28 28 SER C C 31 178.127 178.127 173.703 4.424 17918 2743 1 5 . 1 1 28 28 SER CA C 31 58.869 58.869 57.978 0.890 17918 2744 1 5 . 1 1 28 28 SER CB C 31 64.796 64.796 66.328 -1.532 17918 2745 1 5 . 1 1 28 28 SER H H 31 8.633 8.633 7.672 0.961 17918 2746 1 5 . 1 1 29 29 THR N N 32 120.655 120.655 117.441 3.214 17918 2747 1 5 . 1 1 29 29 THR HA H 32 4.589 4.589 4.760 -0.171 17918 2748 1 5 . 1 1 29 29 THR C C 32 176.368 176.368 173.610 2.758 17918 2749 1 5 . 1 1 29 29 THR CA C 32 62.892 62.892 61.632 1.260 17918 2750 1 5 . 1 1 29 29 THR CB C 32 69.624 69.624 69.013 0.611 17918 2751 1 5 . 1 1 29 29 THR H H 32 8.397 8.397 8.789 -0.392 17918 2752 1 5 . 1 1 30 30 ALA N N 33 124.923 124.923 124.391 0.532 17918 2753 1 5 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.367 -0.572 17918 2754 1 5 . 1 1 30 30 ALA C C 33 177.708 177.708 176.628 1.080 17918 2755 1 5 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.581 3.247 17918 2756 1 5 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.285 2.564 17918 2757 1 5 . 1 1 30 30 ALA H H 33 8.251 8.251 8.620 -0.369 17918 2758 1 5 . 1 1 31 31 ASP N N 34 114.016 114.016 117.343 -3.327 17918 2759 1 5 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.674 0.057 17918 2760 1 5 . 1 1 31 31 ASP C C 34 176.973 176.973 176.535 0.438 17918 2761 1 5 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.860 0.721 17918 2762 1 5 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.068 -0.168 17918 2763 1 5 . 1 1 31 31 ASP H H 34 8.398 8.398 7.971 0.427 17918 2764 1 5 . 1 1 32 32 VAL N N 35 123.637 123.637 120.796 2.841 17918 2765 1 5 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.509 -0.249 17918 2766 1 5 . 1 1 32 32 VAL C C 35 177.725 177.725 174.044 3.681 17918 2767 1 5 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.477 3.015 17918 2768 1 5 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.948 -1.191 17918 2769 1 5 . 1 1 32 32 VAL H H 35 7.323 7.323 7.453 -0.130 17918 2770 1 5 . 1 1 33 33 THR N N 36 121.552 121.552 118.279 3.273 17918 2771 1 5 . 1 1 33 33 THR HA H 36 4.642 4.642 4.866 -0.224 17918 2772 1 5 . 1 1 33 33 THR C C 36 176.268 176.268 175.388 0.880 17918 2773 1 5 . 1 1 33 33 THR CA C 36 62.597 62.597 59.453 3.144 17918 2774 1 5 . 1 1 33 33 THR CB C 36 72.388 72.388 71.527 0.861 17918 2775 1 5 . 1 1 33 33 THR H H 36 9.078 9.078 8.066 1.012 17918 2776 1 5 . 1 1 34 34 TYR N N 37 122.486 122.486 121.438 1.048 17918 2777 1 5 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.551 -0.117 17918 2778 1 5 . 1 1 34 34 TYR C C 37 177.216 177.216 176.498 0.718 17918 2779 1 5 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.323 1.718 17918 2780 1 5 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.700 2.794 17918 2781 1 5 . 1 1 34 34 TYR H H 37 9.247 9.247 8.760 0.487 17918 2782 1 5 . 1 1 35 35 GLU N N 38 116.626 116.626 120.048 -3.422 17918 2783 1 5 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.462 0.217 17918 2784 1 5 . 1 1 35 35 GLU C C 38 180.453 180.453 178.381 2.072 17918 2785 1 5 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.039 2.406 17918 2786 1 5 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.619 1.540 17918 2787 1 5 . 1 1 35 35 GLU H H 38 8.782 8.782 7.428 1.354 17918 2788 1 5 . 1 1 36 36 ASP N N 39 120.670 120.670 119.664 1.006 17918 2789 1 5 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.375 -0.003 17918 2790 1 5 . 1 1 36 36 ASP C C 39 180.015 180.015 178.359 1.656 17918 2791 1 5 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.006 1.213 17918 2792 1 5 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.779 0.455 17918 2793 1 5 . 1 1 36 36 ASP H H 39 7.916 7.916 7.627 0.289 17918 2794 1 5 . 1 1 37 37 ALA N N 40 126.126 126.126 123.430 2.696 17918 2795 1 5 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.100 -0.260 17918 2796 1 5 . 1 1 37 37 ALA C C 40 179.923 179.923 179.271 0.652 17918 2797 1 5 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.214 1.131 17918 2798 1 5 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.634 1.219 17918 2799 1 5 . 1 1 37 37 ALA H H 40 8.318 8.318 8.190 0.128 17918 2800 1 5 . 1 1 38 38 ILE N N 41 118.850 118.850 119.165 -0.315 17918 2801 1 5 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.585 -0.117 17918 2802 1 5 . 1 1 38 38 ILE C C 41 179.106 179.106 177.810 1.296 17918 2803 1 5 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.120 -0.741 17918 2804 1 5 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.789 -0.498 17918 2805 1 5 . 1 1 38 38 ILE H H 41 8.151 8.151 8.211 -0.060 17918 2806 1 5 . 1 1 39 39 LYS N N 42 120.585 120.585 119.439 1.146 17918 2807 1 5 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.838 0.146 17918 2808 1 5 . 1 1 39 39 LYS C C 42 180.883 180.883 178.286 2.597 17918 2809 1 5 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.046 0.839 17918 2810 1 5 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.088 1.453 17918 2811 1 5 . 1 1 39 39 LYS H H 42 7.519 7.519 8.070 -0.551 17918 2812 1 5 . 1 1 40 40 GLU N N 43 121.167 121.167 119.798 1.369 17918 2813 1 5 . 1 1 40 40 GLU HA H 43 4.316 4.316 3.978 0.338 17918 2814 1 5 . 1 1 40 40 GLU C C 43 179.969 179.969 178.862 1.107 17918 2815 1 5 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.307 0.699 17918 2816 1 5 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.387 1.354 17918 2817 1 5 . 1 1 40 40 GLU H H 43 7.911 7.911 7.716 0.195 17918 2818 1 5 . 1 1 41 41 LEU N N 44 121.081 121.081 120.640 0.441 17918 2819 1 5 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.314 -0.123 17918 2820 1 5 . 1 1 41 41 LEU C C 44 180.778 180.778 179.857 0.921 17918 2821 1 5 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.440 0.493 17918 2822 1 5 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.529 1.356 17918 2823 1 5 . 1 1 41 41 LEU H H 44 8.424 8.424 7.849 0.575 17918 2824 1 5 . 1 1 42 42 GLN N N 45 121.129 121.129 119.777 1.352 17918 2825 1 5 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.161 -0.132 17918 2826 1 5 . 1 1 42 42 GLN C C 45 179.911 179.911 178.860 1.051 17918 2827 1 5 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.464 1.895 17918 2828 1 5 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.331 0.691 17918 2829 1 5 . 1 1 42 42 GLN H H 45 8.971 8.971 8.420 0.551 17918 2830 1 5 . 1 1 43 43 LYS N N 46 121.830 121.830 120.976 0.854 17918 2831 1 5 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.964 0.043 17918 2832 1 5 . 1 1 43 43 LYS C C 46 180.898 180.898 178.959 1.939 17918 2833 1 5 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.757 0.887 17918 2834 1 5 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.052 0.412 17918 2835 1 5 . 1 1 43 43 LYS H H 46 7.769 7.769 7.648 0.121 17918 2836 1 5 . 1 1 44 44 TRP N N 47 119.737 119.737 120.994 -1.257 17918 2837 1 5 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.340 -0.384 17918 2838 1 5 . 1 1 44 44 TRP C C 47 179.173 179.173 178.669 0.504 17918 2839 1 5 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.740 3.306 17918 2840 1 5 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.704 -0.089 17918 2841 1 5 . 1 1 44 44 TRP H H 47 8.002 8.002 8.348 -0.346 17918 2842 1 5 . 1 1 45 45 SER N N 48 114.940 114.940 113.670 1.270 17918 2843 1 5 . 1 1 45 45 SER HA H 48 4.072 4.072 4.137 -0.065 17918 2844 1 5 . 1 1 45 45 SER C C 48 178.249 178.249 177.353 0.896 17918 2845 1 5 . 1 1 45 45 SER CA C 48 63.707 63.707 61.760 1.947 17918 2846 1 5 . 1 1 45 45 SER H H 48 8.901 8.901 8.558 0.343 17918 2847 1 5 . 1 1 46 46 GLN N N 49 121.411 121.411 122.764 -1.353 17918 2848 1 5 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.119 0.078 17918 2849 1 5 . 1 1 46 46 GLN C C 49 179.809 179.809 178.084 1.725 17918 2850 1 5 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.991 0.868 17918 2851 1 5 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.765 0.428 17918 2852 1 5 . 1 1 46 46 GLN H H 49 7.950 7.950 7.890 0.060 17918 2853 1 5 . 1 1 47 47 ARG N N 50 121.809 121.809 120.175 1.634 17918 2854 1 5 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.373 -0.322 17918 2855 1 5 . 1 1 47 47 ARG C C 50 179.464 179.464 179.293 0.171 17918 2856 1 5 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.712 1.335 17918 2857 1 5 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.522 1.471 17918 2858 1 5 . 1 1 47 47 ARG H H 50 7.834 7.834 8.285 -0.451 17918 2859 1 5 . 1 1 48 48 ILE N N 51 120.569 120.569 119.049 1.520 17918 2860 1 5 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.381 0.107 17918 2861 1 5 . 1 1 48 48 ILE C C 51 181.848 181.848 178.255 3.593 17918 2862 1 5 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.692 -0.129 17918 2863 1 5 . 1 1 48 48 ILE CB C 51 40.693 40.693 38.085 2.608 17918 2864 1 5 . 1 1 48 48 ILE H H 51 8.127 8.127 8.835 -0.708 17918 2865 1 5 . 1 1 49 49 ALA N N 52 124.538 124.538 121.187 3.351 17918 2866 1 5 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.095 0.114 17918 2867 1 5 . 1 1 49 49 ALA C C 52 181.120 181.120 178.826 2.294 17918 2868 1 5 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.429 1.990 17918 2869 1 5 . 1 1 49 49 ALA CB C 52 19.416 19.416 18.812 0.604 17918 2870 1 5 . 1 1 49 49 ALA H H 52 8.526 8.526 7.497 1.029 17918 2871 1 5 . 1 1 50 50 SER N N 53 111.097 111.097 113.765 -2.668 17918 2872 1 5 . 1 1 50 50 SER HA H 53 4.428 4.428 4.329 0.099 17918 2873 1 5 . 1 1 50 50 SER C C 53 176.608 176.608 176.245 0.363 17918 2874 1 5 . 1 1 50 50 SER CA C 53 60.248 60.248 59.312 0.936 17918 2875 1 5 . 1 1 50 50 SER CB C 53 65.098 65.098 64.242 0.856 17918 2876 1 5 . 1 1 50 50 SER H H 53 8.124 8.124 8.243 -0.119 17918 2877 1 5 . 1 1 51 51 GLY N N 54 110.581 110.581 109.001 1.580 17918 2878 1 5 . 1 1 51 51 GLY C C 54 175.699 175.699 174.811 0.888 17918 2879 1 5 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.840 1.591 17918 2880 1 5 . 1 1 51 51 GLY H H 54 7.904 7.904 8.394 -0.490 17918 2881 1 5 . 1 1 52 52 GLU N N 55 122.231 122.231 120.361 1.870 17918 2882 1 5 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.141 -0.138 17918 2883 1 5 . 1 1 52 52 GLU C C 55 177.647 177.647 176.620 1.027 17918 2884 1 5 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.847 1.241 17918 2885 1 5 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.287 1.336 17918 2886 1 5 . 1 1 52 52 GLU H H 55 8.204 8.204 7.879 0.325 17918 2887 1 5 . 1 1 53 53 VAL N N 56 111.615 111.615 112.655 -1.040 17918 2888 1 5 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.558 0.021 17918 2889 1 5 . 1 1 53 53 VAL C C 56 175.225 175.225 174.442 0.783 17918 2890 1 5 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.837 -0.153 17918 2891 1 5 . 1 1 53 53 VAL CB C 56 36.533 36.533 34.971 1.562 17918 2892 1 5 . 1 1 53 53 VAL H H 56 7.274 7.274 7.673 -0.399 17918 2893 1 5 . 1 1 54 54 SER N N 57 119.532 119.532 117.235 2.297 17918 2894 1 5 . 1 1 54 54 SER HA H 57 4.692 4.692 4.641 0.051 17918 2895 1 5 . 1 1 54 54 SER C C 57 176.092 176.092 175.463 0.629 17918 2896 1 5 . 1 1 54 54 SER CA C 57 58.189 58.189 57.151 1.038 17918 2897 1 5 . 1 1 54 54 SER CB C 57 66.447 66.447 65.358 1.089 17918 2898 1 5 . 1 1 54 54 SER H H 57 8.637 8.637 8.256 0.381 17918 2899 1 5 . 1 1 55 55 PHE N N 58 123.609 123.609 122.326 1.283 17918 2900 1 5 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.174 -0.520 17918 2901 1 5 . 1 1 55 55 PHE C C 58 177.469 177.469 176.849 0.620 17918 2902 1 5 . 1 1 55 55 PHE CA C 58 63.857 63.857 59.915 3.942 17918 2903 1 5 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.670 2.296 17918 2904 1 5 . 1 1 55 55 PHE H H 58 9.326 9.326 9.022 0.304 17918 2905 1 5 . 1 1 56 56 GLU N N 59 116.994 116.994 118.779 -1.785 17918 2906 1 5 . 1 1 56 56 GLU HA H 59 4.205 4.205 3.995 0.210 17918 2907 1 5 . 1 1 56 56 GLU C C 59 180.852 180.852 179.124 1.728 17918 2908 1 5 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.921 1.446 17918 2909 1 5 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.090 0.740 17918 2910 1 5 . 1 1 56 56 GLU H H 59 9.464 9.464 8.805 0.659 17918 2911 1 5 . 1 1 57 57 GLU N N 60 122.452 122.452 118.708 3.744 17918 2912 1 5 . 1 1 57 57 GLU HA H 60 4.023 4.023 3.969 0.054 17918 2913 1 5 . 1 1 57 57 GLU C C 60 179.899 179.899 178.505 1.394 17918 2914 1 5 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.891 1.122 17918 2915 1 5 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.100 2.085 17918 2916 1 5 . 1 1 57 57 GLU H H 60 7.978 7.978 7.466 0.512 17918 2917 1 5 . 1 1 58 58 ALA N N 61 123.053 123.053 121.341 1.712 17918 2918 1 5 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.038 0.543 17918 2919 1 5 . 1 1 58 58 ALA C C 61 179.854 179.854 179.190 0.664 17918 2920 1 5 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.237 1.644 17918 2921 1 5 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.515 2.545 17918 2922 1 5 . 1 1 58 58 ALA H H 61 8.157 8.157 7.195 0.962 17918 2923 1 5 . 1 1 59 59 ALA N N 62 120.029 120.029 120.425 -0.396 17918 2924 1 5 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.607 -0.056 17918 2925 1 5 . 1 1 59 59 ALA C C 62 181.080 181.080 179.950 1.130 17918 2926 1 5 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.681 1.737 17918 2927 1 5 . 1 1 59 59 ALA CB C 62 18.042 18.042 17.815 0.227 17918 2928 1 5 . 1 1 59 59 ALA H H 62 8.540 8.540 8.015 0.525 17918 2929 1 5 . 1 1 60 60 SER N N 63 113.010 113.010 112.562 0.448 17918 2930 1 5 . 1 1 60 60 SER HA H 63 4.766 4.766 4.346 0.420 17918 2931 1 5 . 1 1 60 60 SER C C 63 176.299 176.299 176.067 0.232 17918 2932 1 5 . 1 1 60 60 SER CA C 63 62.414 62.414 61.218 1.196 17918 2933 1 5 . 1 1 60 60 SER CB C 63 64.687 64.687 63.321 1.366 17918 2934 1 5 . 1 1 60 60 SER H H 63 8.013 8.013 7.620 0.393 17918 2935 1 5 . 1 1 61 61 GLN N N 64 115.830 115.830 117.385 -1.555 17918 2936 1 5 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.293 -0.163 17918 2937 1 5 . 1 1 61 61 GLN C C 64 178.579 178.579 177.019 1.560 17918 2938 1 5 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.907 0.459 17918 2939 1 5 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.351 2.025 17918 2940 1 5 . 1 1 61 61 GLN H H 64 7.496 7.496 7.389 0.107 17918 2941 1 5 . 1 1 62 62 ARG N N 65 115.716 115.716 116.787 -1.071 17918 2942 1 5 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.497 -0.036 17918 2943 1 5 . 1 1 62 62 ARG C C 65 176.601 176.601 176.326 0.275 17918 2944 1 5 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.975 -2.344 17918 2945 1 5 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.118 1.538 17918 2946 1 5 . 1 1 62 62 ARG H H 65 7.693 7.693 8.446 -0.753 17918 2947 1 5 . 1 1 63 63 SER N N 66 114.680 114.680 115.374 -0.694 17918 2948 1 5 . 1 1 63 63 SER HA H 66 4.222 4.222 4.660 -0.438 17918 2949 1 5 . 1 1 63 63 SER C C 66 177.034 177.034 175.122 1.912 17918 2950 1 5 . 1 1 63 63 SER CA C 66 59.677 59.677 58.207 1.470 17918 2951 1 5 . 1 1 63 63 SER CB C 66 65.786 65.786 63.238 2.548 17918 2952 1 5 . 1 1 63 63 SER H H 66 8.528 8.528 7.616 0.912 17918 2953 1 5 . 1 1 64 64 ASP N N 67 123.612 123.612 125.490 -1.878 17918 2954 1 5 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.396 0.503 17918 2955 1 5 . 1 1 64 64 ASP C C 67 176.674 176.674 176.621 0.053 17918 2956 1 5 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.485 -0.494 17918 2957 1 5 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.359 2.298 17918 2958 1 5 . 1 1 64 64 ASP H H 67 9.645 9.645 8.804 0.841 17918 2959 1 5 . 1 1 65 65 CYS N N 68 124.716 124.716 118.502 6.214 17918 2960 1 5 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.522 -0.077 17918 2961 1 5 . 1 1 65 65 CYS C C 68 177.747 177.747 177.083 0.664 17918 2962 1 5 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.634 0.484 17918 2963 1 5 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.412 1.047 17918 2964 1 5 . 1 1 65 65 CYS H H 68 7.903 7.903 7.739 0.164 17918 2965 1 5 . 1 1 66 66 GLY N N 69 118.503 118.503 112.331 6.172 17918 2966 1 5 . 1 1 66 66 GLY C C 69 175.872 175.872 175.203 0.669 17918 2967 1 5 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.279 1.663 17918 2968 1 5 . 1 1 66 66 GLY H H 69 8.811 8.811 8.978 -0.167 17918 2969 1 5 . 1 1 67 67 SER N N 70 120.316 120.316 117.964 2.352 17918 2970 1 5 . 1 1 67 67 SER HA H 70 4.245 4.245 4.101 0.144 17918 2971 1 5 . 1 1 67 67 SER C C 70 178.404 178.404 175.860 2.544 17918 2972 1 5 . 1 1 67 67 SER CA C 70 61.611 61.611 60.252 1.359 17918 2973 1 5 . 1 1 67 67 SER CB C 70 64.297 64.297 62.611 1.686 17918 2974 1 5 . 1 1 67 67 SER H H 70 9.556 9.556 7.653 1.903 17918 2975 1 5 . 1 1 68 68 TYR N N 71 129.376 129.376 121.794 7.582 17918 2976 1 5 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.249 -0.218 17918 2977 1 5 . 1 1 68 68 TYR C C 71 177.613 177.613 177.309 0.304 17918 2978 1 5 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.440 2.952 17918 2979 1 5 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.660 0.137 17918 2980 1 5 . 1 1 68 68 TYR H H 71 8.584 8.584 8.323 0.261 17918 2981 1 5 . 1 1 69 69 ALA N N 72 122.673 122.673 120.794 1.879 17918 2982 1 5 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.891 -0.246 17918 2983 1 5 . 1 1 69 69 ALA C C 72 179.011 179.011 177.809 1.202 17918 2984 1 5 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.313 0.977 17918 2985 1 5 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.107 1.014 17918 2986 1 5 . 1 1 69 69 ALA H H 72 5.645 5.645 7.054 -1.409 17918 2987 1 5 . 1 1 70 70 SER N N 73 114.496 114.496 112.972 1.524 17918 2988 1 5 . 1 1 70 70 SER HA H 73 4.782 4.782 4.499 0.283 17918 2989 1 5 . 1 1 70 70 SER C C 73 177.320 177.320 174.114 3.206 17918 2990 1 5 . 1 1 70 70 SER CA C 73 57.287 57.287 57.501 -0.214 17918 2991 1 5 . 1 1 70 70 SER CB C 73 64.538 64.538 63.770 0.768 17918 2992 1 5 . 1 1 70 70 SER H H 73 7.654 7.654 7.776 -0.122 17918 2993 1 5 . 1 1 71 71 GLY N N 74 112.182 112.182 109.699 2.483 17918 2994 1 5 . 1 1 71 71 GLY C C 74 174.379 174.379 174.311 0.068 17918 2995 1 5 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.852 3.582 17918 2996 1 5 . 1 1 71 71 GLY H H 74 7.933 7.933 7.270 0.663 17918 2997 1 5 . 1 1 72 72 GLY N N 75 126.463 126.463 107.215 19.248 17918 2998 1 5 . 1 1 72 72 GLY C C 75 175.121 175.121 172.635 2.486 17918 2999 1 5 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.349 0.723 17918 3000 1 5 . 1 1 72 72 GLY H H 75 7.994 7.994 8.130 -0.136 17918 3001 1 5 . 1 1 73 73 ASP N N 76 118.815 118.815 120.281 -1.466 17918 3002 1 5 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.611 -0.197 17918 3003 1 5 . 1 1 73 73 ASP C C 76 177.362 177.362 174.589 2.773 17918 3004 1 5 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.586 2.537 17918 3005 1 5 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.817 -0.366 17918 3006 1 5 . 1 1 73 73 ASP H H 76 6.956 6.956 7.785 -0.829 17918 3007 1 5 . 1 1 74 74 LEU N N 77 128.720 128.720 123.798 4.922 17918 3008 1 5 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.572 -0.217 17918 3009 1 5 . 1 1 74 74 LEU C C 77 179.412 179.412 177.358 2.054 17918 3010 1 5 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.633 2.501 17918 3011 1 5 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.454 1.388 17918 3012 1 5 . 1 1 74 74 LEU H H 77 8.694 8.694 8.409 0.285 17918 3013 1 5 . 1 1 75 75 GLY N N 78 109.695 109.695 108.073 1.622 17918 3014 1 5 . 1 1 75 75 GLY C C 78 173.473 173.473 174.879 -1.406 17918 3015 1 5 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.102 0.244 17918 3016 1 5 . 1 1 75 75 GLY H H 78 8.682 8.682 7.648 1.034 17918 3017 1 5 . 1 1 76 76 PHE N N 79 115.646 115.646 115.823 -0.177 17918 3018 1 5 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.893 1.326 17918 3019 1 5 . 1 1 76 76 PHE C C 79 178.904 178.904 174.593 4.311 17918 3020 1 5 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.996 -0.540 17918 3021 1 5 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.125 3.692 17918 3022 1 5 . 1 1 76 76 PHE H H 79 8.203 8.203 7.454 0.749 17918 3023 1 5 . 1 1 77 77 PHE N N 80 119.508 119.508 118.521 0.987 17918 3024 1 5 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.014 0.123 17918 3025 1 5 . 1 1 77 77 PHE C C 80 174.331 174.331 173.902 0.429 17918 3026 1 5 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.706 1.190 17918 3027 1 5 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.062 1.401 17918 3028 1 5 . 1 1 77 77 PHE H H 80 9.112 9.112 8.734 0.378 17918 3029 1 5 . 1 1 78 78 SER N N 81 116.578 116.578 116.023 0.555 17918 3030 1 5 . 1 1 78 78 SER HA H 81 4.957 4.957 5.013 -0.056 17918 3031 1 5 . 1 1 78 78 SER C C 81 176.191 176.191 175.948 0.243 17918 3032 1 5 . 1 1 78 78 SER CA C 81 58.065 58.065 57.695 0.370 17918 3033 1 5 . 1 1 78 78 SER CB C 81 66.514 66.514 65.153 1.361 17918 3034 1 5 . 1 1 78 78 SER H H 81 8.930 8.930 8.602 0.328 17918 3035 1 5 . 1 1 79 79 SER N N 82 118.715 118.715 120.357 -1.642 17918 3036 1 5 . 1 1 79 79 SER HA H 82 4.420 4.420 4.399 0.021 17918 3037 1 5 . 1 1 79 79 SER C C 82 176.946 176.946 176.235 0.711 17918 3038 1 5 . 1 1 79 79 SER CA C 82 60.988 60.988 60.589 0.399 17918 3039 1 5 . 1 1 79 79 SER CB C 82 64.242 64.242 62.647 1.595 17918 3040 1 5 . 1 1 79 79 SER H H 82 8.751 8.751 8.907 -0.156 17918 3041 1 5 . 1 1 80 80 GLY N N 83 117.069 117.069 109.406 7.663 17918 3042 1 5 . 1 1 80 80 GLY C C 83 175.628 175.628 173.641 1.987 17918 3043 1 5 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.979 1.653 17918 3044 1 5 . 1 1 80 80 GLY H H 83 10.009 10.009 8.446 1.563 17918 3045 1 5 . 1 1 81 81 GLU N N 84 120.322 120.322 121.007 -0.685 17918 3046 1 5 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.361 -0.130 17918 3047 1 5 . 1 1 81 81 GLU C C 84 178.456 178.456 176.188 2.268 17918 3048 1 5 . 1 1 81 81 GLU CA C 84 59.727 59.727 55.978 3.748 17918 3049 1 5 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.313 2.408 17918 3050 1 5 . 1 1 81 81 GLU H H 84 7.812 7.812 8.003 -0.191 17918 3051 1 5 . 1 1 82 82 MET N N 85 117.156 117.156 118.284 -1.128 17918 3052 1 5 . 1 1 82 82 MET HA H 85 4.569 4.569 4.460 0.109 17918 3053 1 5 . 1 1 82 82 MET C C 85 176.991 176.991 175.849 1.142 17918 3054 1 5 . 1 1 82 82 MET CA C 85 53.174 53.174 53.549 -0.375 17918 3055 1 5 . 1 1 82 82 MET CB C 85 34.386 34.386 33.275 1.111 17918 3056 1 5 . 1 1 82 82 MET H H 85 8.601 8.601 7.950 0.651 17918 3057 1 5 . 1 1 83 83 MET N N 86 119.413 119.413 119.404 0.009 17918 3058 1 5 . 1 1 83 83 MET HA H 86 4.273 4.273 4.640 -0.367 17918 3059 1 5 . 1 1 83 83 MET C C 86 178.979 178.979 177.944 1.035 17918 3060 1 5 . 1 1 83 83 MET CA C 86 58.320 58.320 53.196 5.124 17918 3061 1 5 . 1 1 83 83 MET CB C 86 34.339 34.339 33.139 1.200 17918 3062 1 5 . 1 1 83 83 MET H H 86 8.413 8.413 7.918 0.495 17918 3063 1 5 . 1 1 84 84 LYS N N 87 126.834 126.834 125.364 1.470 17918 3064 1 5 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.299 0.441 17918 3065 1 5 . 1 1 84 84 LYS C C 87 175.267 175.267 176.606 -1.339 17918 3066 1 5 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.466 0.995 17918 3067 1 5 . 1 1 84 84 LYS CB C 87 31.435 31.435 31.066 0.369 17918 3068 1 5 . 1 1 84 84 LYS H H 87 9.099 9.099 8.917 0.182 17918 3069 1 5 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.318 0.147 17918 3070 1 5 . 1 1 85 85 PRO C C 88 180.671 180.671 178.454 2.217 17918 3071 1 5 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.265 1.478 17918 3072 1 5 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.432 0.824 17918 3073 1 5 . 1 1 86 86 PHE N N 89 116.583 116.583 120.861 -4.278 17918 3074 1 5 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.102 -0.455 17918 3075 1 5 . 1 1 86 86 PHE C C 89 177.086 177.086 176.728 0.358 17918 3076 1 5 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.489 -0.005 17918 3077 1 5 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.239 2.271 17918 3078 1 5 . 1 1 86 86 PHE H H 89 7.102 7.102 7.655 -0.553 17918 3079 1 5 . 1 1 87 87 GLU N N 90 120.506 120.506 118.513 1.993 17918 3080 1 5 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.883 -0.159 17918 3081 1 5 . 1 1 87 87 GLU C C 90 179.102 179.102 178.639 0.463 17918 3082 1 5 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.434 2.423 17918 3083 1 5 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.118 1.666 17918 3084 1 5 . 1 1 87 87 GLU H H 90 8.126 8.126 8.759 -0.633 17918 3085 1 5 . 1 1 88 88 ASP N N 91 118.355 118.355 119.575 -1.220 17918 3086 1 5 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.329 -0.094 17918 3087 1 5 . 1 1 88 88 ASP C C 91 180.067 180.067 177.872 2.195 17918 3088 1 5 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.292 1.012 17918 3089 1 5 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.778 0.248 17918 3090 1 5 . 1 1 88 88 ASP H H 91 9.121 9.121 8.068 1.053 17918 3091 1 5 . 1 1 89 89 ALA N N 92 121.718 121.718 120.925 0.793 17918 3092 1 5 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.137 -0.065 17918 3093 1 5 . 1 1 89 89 ALA C C 92 181.131 181.131 179.473 1.658 17918 3094 1 5 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.542 1.302 17918 3095 1 5 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.461 1.638 17918 3096 1 5 . 1 1 89 89 ALA H H 92 7.154 7.154 7.331 -0.177 17918 3097 1 5 . 1 1 90 90 VAL N N 93 117.315 117.315 117.874 -0.559 17918 3098 1 5 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.597 -0.182 17918 3099 1 5 . 1 1 90 90 VAL C C 93 178.908 178.908 178.102 0.806 17918 3100 1 5 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.862 1.892 17918 3101 1 5 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.575 0.774 17918 3102 1 5 . 1 1 90 90 VAL H H 93 7.797 7.797 7.288 0.509 17918 3103 1 5 . 1 1 91 91 ARG N N 94 116.826 116.826 117.849 -1.023 17918 3104 1 5 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.188 -0.334 17918 3105 1 5 . 1 1 91 91 ARG C C 94 177.858 177.858 177.359 0.499 17918 3106 1 5 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.288 2.178 17918 3107 1 5 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.848 1.240 17918 3108 1 5 . 1 1 91 91 ARG H H 94 8.154 8.154 8.003 0.151 17918 3109 1 5 . 1 1 92 92 ALA N N 95 118.849 118.849 122.068 -3.219 17918 3110 1 5 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.188 0.105 17918 3111 1 5 . 1 1 92 92 ALA C C 95 178.452 178.452 177.540 0.912 17918 3112 1 5 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.840 -0.363 17918 3113 1 5 . 1 1 92 92 ALA CB C 95 20.147 20.147 18.957 1.190 17918 3114 1 5 . 1 1 92 92 ALA H H 95 7.067 7.067 7.552 -0.485 17918 3115 1 5 . 1 1 93 93 LEU N N 96 120.871 120.871 113.389 7.482 17918 3116 1 5 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.693 -0.179 17918 3117 1 5 . 1 1 93 93 LEU C C 96 179.045 179.045 175.559 3.486 17918 3118 1 5 . 1 1 93 93 LEU CA C 96 55.163 55.163 52.383 2.780 17918 3119 1 5 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.221 1.712 17918 3120 1 5 . 1 1 93 93 LEU H H 96 7.396 7.396 7.316 0.080 17918 3121 1 5 . 1 1 94 94 LYS N N 97 121.289 121.289 119.588 1.701 17918 3122 1 5 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.539 -0.131 17918 3123 1 5 . 1 1 94 94 LYS C C 97 178.629 178.629 176.474 2.155 17918 3124 1 5 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.070 2.224 17918 3125 1 5 . 1 1 94 94 LYS CB C 97 33.395 33.395 33.976 -0.581 17918 3126 1 5 . 1 1 94 94 LYS H H 97 8.274 8.274 8.123 0.151 17918 3127 1 5 . 1 1 95 95 ILE N N 98 122.343 122.343 124.313 -1.970 17918 3128 1 5 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.666 -0.601 17918 3129 1 5 . 1 1 95 95 ILE C C 98 178.406 178.406 176.817 1.589 17918 3130 1 5 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.488 2.806 17918 3131 1 5 . 1 1 95 95 ILE CB C 98 38.162 38.162 37.072 1.090 17918 3132 1 5 . 1 1 95 95 ILE H H 98 8.396 8.396 8.589 -0.193 17918 3133 1 5 . 1 1 96 96 GLY N N 99 118.074 118.074 116.088 1.986 17918 3134 1 5 . 1 1 96 96 GLY C C 99 174.605 174.605 174.007 0.598 17918 3135 1 5 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.468 1.705 17918 3136 1 5 . 1 1 96 96 GLY H H 99 8.988 8.988 8.779 0.209 17918 3137 1 5 . 1 1 97 97 ASP N N 100 121.984 121.984 121.854 0.130 17918 3138 1 5 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.910 -0.115 17918 3139 1 5 . 1 1 97 97 ASP C C 100 175.344 175.344 174.924 0.420 17918 3140 1 5 . 1 1 97 97 ASP CA C 100 55.037 55.037 53.843 1.194 17918 3141 1 5 . 1 1 97 97 ASP CB C 100 43.953 43.953 43.122 0.831 17918 3142 1 5 . 1 1 97 97 ASP H H 100 7.978 7.978 8.527 -0.549 17918 3143 1 5 . 1 1 98 98 ILE N N 101 117.483 117.483 119.397 -1.914 17918 3144 1 5 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.431 0.729 17918 3145 1 5 . 1 1 98 98 ILE C C 101 178.147 178.147 175.948 2.199 17918 3146 1 5 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.727 0.609 17918 3147 1 5 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.671 0.622 17918 3148 1 5 . 1 1 98 98 ILE H H 101 8.048 8.048 8.246 -0.198 17918 3149 1 5 . 1 1 99 99 SER N N 102 126.778 126.778 123.493 3.285 17918 3150 1 5 . 1 1 99 99 SER HA H 102 4.526 4.526 4.767 -0.241 17918 3151 1 5 . 1 1 99 99 SER C C 102 172.735 172.735 173.351 -0.616 17918 3152 1 5 . 1 1 99 99 SER CA C 102 59.441 59.441 56.594 2.846 17918 3153 1 5 . 1 1 99 99 SER CB C 102 64.572 64.572 62.918 1.654 17918 3154 1 5 . 1 1 99 99 SER H H 102 9.722 9.722 8.889 0.833 17918 3155 1 5 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.497 0.322 17918 3156 1 5 . 1 1 100 100 PRO C C 103 176.647 176.647 176.780 -0.133 17918 3157 1 5 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.624 0.504 17918 3158 1 5 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.410 1.029 17918 3159 1 5 . 1 1 101 101 ILE N N 104 120.048 120.048 119.055 0.993 17918 3160 1 5 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.025 0.282 17918 3161 1 5 . 1 1 101 101 ILE C C 104 178.021 178.021 176.443 1.578 17918 3162 1 5 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.031 3.110 17918 3163 1 5 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.595 1.375 17918 3164 1 5 . 1 1 101 101 ILE H H 104 8.199 8.199 8.270 -0.071 17918 3165 1 5 . 1 1 102 102 VAL N N 105 130.676 130.676 129.055 1.621 17918 3166 1 5 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.357 0.000 17918 3167 1 5 . 1 1 102 102 VAL C C 105 175.118 175.118 174.808 0.310 17918 3168 1 5 . 1 1 102 102 VAL CA C 105 61.807 61.807 60.821 0.986 17918 3169 1 5 . 1 1 102 102 VAL CB C 105 37.383 37.383 32.698 4.685 17918 3170 1 5 . 1 1 102 102 VAL H H 105 9.285 9.285 8.994 0.291 17918 3171 1 5 . 1 1 103 103 GLN N N 106 128.464 128.464 126.934 1.530 17918 3172 1 5 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.768 0.681 17918 3173 1 5 . 1 1 103 103 GLN C C 106 176.704 176.704 175.914 0.790 17918 3174 1 5 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.888 -0.828 17918 3175 1 5 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.186 1.846 17918 3176 1 5 . 1 1 103 103 GLN H H 106 8.900 8.900 8.924 -0.024 17918 3177 1 5 . 1 1 104 104 THR N N 107 116.680 116.680 119.134 -2.454 17918 3178 1 5 . 1 1 104 104 THR HA H 107 4.978 4.978 4.673 0.305 17918 3179 1 5 . 1 1 104 104 THR C C 107 177.189 177.189 174.348 2.841 17918 3180 1 5 . 1 1 104 104 THR CA C 107 61.836 61.836 59.431 2.405 17918 3181 1 5 . 1 1 104 104 THR CB C 107 73.663 73.663 70.547 3.116 17918 3182 1 5 . 1 1 104 104 THR H H 107 9.275 9.275 8.891 0.384 17918 3183 1 5 . 1 1 105 105 ASP N N 108 119.651 119.651 121.184 -1.533 17918 3184 1 5 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.471 0.107 17918 3185 1 5 . 1 1 105 105 ASP C C 108 179.034 179.034 177.157 1.877 17918 3186 1 5 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.780 0.175 17918 3187 1 5 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.806 1.210 17918 3188 1 5 . 1 1 105 105 ASP H H 108 8.945 8.945 8.680 0.265 17918 3189 1 5 . 1 1 106 106 SER N N 109 114.257 114.257 112.840 1.417 17918 3190 1 5 . 1 1 106 106 SER HA H 109 4.642 4.642 4.328 0.314 17918 3191 1 5 . 1 1 106 106 SER C C 109 177.224 177.224 174.371 2.853 17918 3192 1 5 . 1 1 106 106 SER CA C 109 62.788 62.788 60.338 2.450 17918 3193 1 5 . 1 1 106 106 SER CB C 109 64.767 64.767 63.505 1.262 17918 3194 1 5 . 1 1 106 106 SER H H 109 8.968 8.968 8.394 0.574 17918 3195 1 5 . 1 1 107 107 GLY N N 110 111.288 111.288 106.953 4.335 17918 3196 1 5 . 1 1 107 107 GLY C C 110 169.468 169.468 172.228 -2.760 17918 3197 1 5 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.358 1.340 17918 3198 1 5 . 1 1 107 107 GLY H H 110 7.829 7.829 7.813 0.016 17918 3199 1 5 . 1 1 108 108 LEU N N 111 122.506 122.506 122.017 0.489 17918 3200 1 5 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.027 0.344 17918 3201 1 5 . 1 1 108 108 LEU C C 111 175.948 175.948 175.354 0.594 17918 3202 1 5 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.221 0.055 17918 3203 1 5 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.456 1.319 17918 3204 1 5 . 1 1 108 108 LEU H H 111 8.143 8.143 8.760 -0.617 17918 3205 1 5 . 1 1 109 109 HIS N N 112 119.518 119.518 123.627 -4.109 17918 3206 1 5 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.823 0.272 17918 3207 1 5 . 1 1 109 109 HIS C C 112 179.186 179.186 174.734 4.452 17918 3208 1 5 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.720 0.660 17918 3209 1 5 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.252 0.586 17918 3210 1 5 . 1 1 109 109 HIS H H 112 9.764 9.764 9.276 0.488 17918 3211 1 5 . 1 1 110 110 ILE N N 113 113.128 113.128 119.425 -6.297 17918 3212 1 5 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.672 -0.213 17918 3213 1 5 . 1 1 110 110 ILE C C 113 176.666 176.666 173.931 2.735 17918 3214 1 5 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.018 4.419 17918 3215 1 5 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.306 2.430 17918 3216 1 5 . 1 1 110 110 ILE H H 113 8.117 8.117 8.473 -0.356 17918 3217 1 5 . 1 1 111 111 ILE N N 114 125.121 125.121 123.860 1.261 17918 3218 1 5 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.064 -0.294 17918 3219 1 5 . 1 1 111 111 ILE C C 114 173.792 173.792 174.697 -0.905 17918 3220 1 5 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.595 2.389 17918 3221 1 5 . 1 1 111 111 ILE CB C 114 43.683 43.683 41.475 2.208 17918 3222 1 5 . 1 1 111 111 ILE H H 114 8.604 8.604 8.548 0.056 17918 3223 1 5 . 1 1 112 112 LYS N N 115 127.966 127.966 124.415 3.551 17918 3224 1 5 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.197 -0.024 17918 3225 1 5 . 1 1 112 112 LYS C C 115 177.267 177.267 175.058 2.209 17918 3226 1 5 . 1 1 112 112 LYS CA C 115 54.375 54.375 53.983 0.392 17918 3227 1 5 . 1 1 112 112 LYS CB C 115 36.513 36.513 35.797 0.716 17918 3228 1 5 . 1 1 112 112 LYS H H 115 9.075 9.075 9.130 -0.055 17918 3229 1 5 . 1 1 113 113 ARG N N 116 126.762 126.762 123.635 3.127 17918 3230 1 5 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.243 0.092 17918 3231 1 5 . 1 1 113 113 ARG C C 116 176.109 176.109 176.068 0.041 17918 3232 1 5 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.962 1.861 17918 3233 1 5 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.083 0.774 17918 3234 1 5 . 1 1 113 113 ARG H H 116 7.830 7.830 8.654 -0.824 17918 3235 1 5 . 1 1 114 114 LEU N N 117 128.545 128.545 128.010 0.535 17918 3236 1 5 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.647 -0.024 17918 3237 1 5 . 1 1 114 114 LEU C C 117 176.857 176.857 175.781 1.076 17918 3238 1 5 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.847 1.145 17918 3239 1 5 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.418 1.721 17918 3240 1 5 . 1 1 114 114 LEU H H 117 8.534 8.534 8.825 -0.291 17918 3241 1 6 . 1 1 2 2 SER N N 5 117.478 117.478 117.495 -0.017 17918 3242 1 6 . 1 1 2 2 SER HA H 5 4.393 4.393 4.374 0.019 17918 3243 1 6 . 1 1 2 2 SER C C 5 175.466 175.466 175.133 0.333 17918 3244 1 6 . 1 1 2 2 SER CA C 5 59.622 59.622 59.069 0.553 17918 3245 1 6 . 1 1 2 2 SER CB C 5 64.896 64.896 63.189 1.707 17918 3246 1 6 . 1 1 2 2 SER H H 5 8.317 8.317 8.126 0.191 17918 3247 1 6 . 1 1 3 3 GLU N N 6 123.783 123.783 122.617 1.166 17918 3248 1 6 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.328 -0.050 17918 3249 1 6 . 1 1 3 3 GLU C C 6 177.189 177.189 175.298 1.891 17918 3250 1 6 . 1 1 3 3 GLU CA C 6 57.791 57.791 56.579 1.212 17918 3251 1 6 . 1 1 3 3 GLU CB C 6 31.568 31.568 29.349 2.220 17918 3252 1 6 . 1 1 3 3 GLU H H 6 8.359 8.359 8.262 0.097 17918 3253 1 6 . 1 1 4 4 LYS N N 7 122.875 122.875 123.926 -1.051 17918 3254 1 6 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.853 -0.339 17918 3255 1 6 . 1 1 4 4 LYS C C 7 176.557 176.557 174.661 1.896 17918 3256 1 6 . 1 1 4 4 LYS CA C 7 56.826 56.826 55.972 0.854 17918 3257 1 6 . 1 1 4 4 LYS CB C 7 35.393 35.393 34.337 1.056 17918 3258 1 6 . 1 1 4 4 LYS H H 7 8.193 8.193 8.317 -0.124 17918 3259 1 6 . 1 1 5 5 LEU N N 8 123.258 123.258 123.960 -0.702 17918 3260 1 6 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.770 -0.376 17918 3261 1 6 . 1 1 5 5 LEU C C 8 175.699 175.699 174.112 1.587 17918 3262 1 6 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.438 1.104 17918 3263 1 6 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.866 -0.354 17918 3264 1 6 . 1 1 5 5 LEU H H 8 8.265 8.265 9.298 -1.033 17918 3265 1 6 . 1 1 6 6 ARG N N 9 117.197 117.197 119.916 -2.719 17918 3266 1 6 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.411 1.193 17918 3267 1 6 . 1 1 6 6 ARG C C 9 175.633 175.633 173.417 2.216 17918 3268 1 6 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.500 1.675 17918 3269 1 6 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.856 2.564 17918 3270 1 6 . 1 1 6 6 ARG H H 9 7.759 7.759 8.252 -0.493 17918 3271 1 6 . 1 1 7 7 ALA N N 10 126.954 126.954 126.520 0.434 17918 3272 1 6 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.063 0.077 17918 3273 1 6 . 1 1 7 7 ALA C C 10 174.004 174.004 174.811 -0.807 17918 3274 1 6 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.507 0.360 17918 3275 1 6 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.482 1.525 17918 3276 1 6 . 1 1 7 7 ALA H H 10 7.637 7.637 8.344 -0.707 17918 3277 1 6 . 1 1 8 8 ALA N N 11 122.081 122.081 122.823 -0.742 17918 3278 1 6 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.581 1.209 17918 3279 1 6 . 1 1 8 8 ALA C C 11 177.446 177.446 174.787 2.659 17918 3280 1 6 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.138 0.138 17918 3281 1 6 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.727 2.894 17918 3282 1 6 . 1 1 8 8 ALA H H 11 8.991 8.991 8.486 0.505 17918 3283 1 6 . 1 1 9 9 HIS N N 12 118.002 118.002 118.237 -0.235 17918 3284 1 6 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.495 0.634 17918 3285 1 6 . 1 1 9 9 HIS C C 12 172.689 172.689 172.555 0.134 17918 3286 1 6 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.620 1.476 17918 3287 1 6 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.432 5.300 17918 3288 1 6 . 1 1 9 9 HIS H H 12 9.489 9.489 7.531 1.958 17918 3289 1 6 . 1 1 10 10 LEU N N 13 126.276 126.276 120.788 5.488 17918 3290 1 6 . 1 1 10 10 LEU HA H 13 3.906 3.906 5.043 -1.137 17918 3291 1 6 . 1 1 10 10 LEU C C 13 174.163 174.163 174.733 -0.570 17918 3292 1 6 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.729 2.974 17918 3293 1 6 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.496 -0.929 17918 3294 1 6 . 1 1 10 10 LEU H H 13 8.866 8.866 9.122 -0.256 17918 3295 1 6 . 1 1 11 11 LEU N N 14 127.134 127.134 127.246 -0.112 17918 3296 1 6 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.393 -0.655 17918 3297 1 6 . 1 1 11 11 LEU C C 14 175.626 175.626 174.407 1.219 17918 3298 1 6 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.385 0.218 17918 3299 1 6 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.123 0.572 17918 3300 1 6 . 1 1 11 11 LEU H H 14 7.762 7.762 8.695 -0.933 17918 3301 1 6 . 1 1 12 12 VAL N N 15 129.450 129.450 128.390 1.060 17918 3302 1 6 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.428 -0.018 17918 3303 1 6 . 1 1 12 12 VAL C C 15 177.055 177.055 174.919 2.136 17918 3304 1 6 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.486 2.355 17918 3305 1 6 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.242 0.147 17918 3306 1 6 . 1 1 12 12 VAL H H 15 9.667 9.667 8.873 0.794 17918 3307 1 6 . 1 1 13 13 LYS N N 16 127.188 127.188 126.643 0.545 17918 3308 1 6 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.603 -0.121 17918 3309 1 6 . 1 1 13 13 LYS C C 16 176.034 176.034 174.944 1.090 17918 3310 1 6 . 1 1 13 13 LYS CA C 16 58.166 58.166 54.981 3.185 17918 3311 1 6 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.750 3.044 17918 3312 1 6 . 1 1 13 13 LYS H H 16 9.138 9.138 8.559 0.579 17918 3313 1 6 . 1 1 14 14 PHE N N 17 117.138 117.138 119.139 -2.001 17918 3314 1 6 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.939 0.315 17918 3315 1 6 . 1 1 14 14 PHE C C 17 176.588 176.588 176.676 -0.088 17918 3316 1 6 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.371 2.217 17918 3317 1 6 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.160 0.199 17918 3318 1 6 . 1 1 14 14 PHE H H 17 8.617 8.617 7.795 0.822 17918 3319 1 6 . 1 1 15 15 SER N N 18 120.047 120.047 118.096 1.951 17918 3320 1 6 . 1 1 15 15 SER HA H 18 4.019 4.019 4.327 -0.308 17918 3321 1 6 . 1 1 15 15 SER C C 18 180.099 180.099 176.225 3.874 17918 3322 1 6 . 1 1 15 15 SER CA C 18 62.865 62.865 61.462 1.403 17918 3323 1 6 . 1 1 15 15 SER CB C 18 64.300 64.300 63.187 1.113 17918 3324 1 6 . 1 1 15 15 SER H H 18 9.437 9.437 9.160 0.277 17918 3325 1 6 . 1 1 16 16 GLY C C 19 175.458 175.458 174.608 0.850 17918 3326 1 6 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.516 1.266 17918 3327 1 6 . 1 1 17 17 SER N N 20 120.550 120.550 114.900 5.650 17918 3328 1 6 . 1 1 17 17 SER HA H 20 3.839 3.839 3.871 -0.032 17918 3329 1 6 . 1 1 17 17 SER C C 20 174.702 174.702 174.640 0.062 17918 3330 1 6 . 1 1 17 17 SER CA C 20 62.099 62.099 57.828 4.271 17918 3331 1 6 . 1 1 17 17 SER CB C 20 65.081 65.081 64.344 0.737 17918 3332 1 6 . 1 1 17 17 SER H H 20 7.236 7.236 7.229 0.007 17918 3333 1 6 . 1 1 18 18 ARG N N 21 123.998 123.998 119.147 4.851 17918 3334 1 6 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.010 0.053 17918 3335 1 6 . 1 1 18 18 ARG C C 21 177.005 177.005 176.351 0.654 17918 3336 1 6 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.387 1.208 17918 3337 1 6 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.518 -0.412 17918 3338 1 6 . 1 1 18 18 ARG H H 21 8.544 8.544 8.016 0.528 17918 3339 1 6 . 1 1 19 19 ASN N N 22 116.403 116.403 115.257 1.146 17918 3340 1 6 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.051 0.213 17918 3341 1 6 . 1 1 19 19 ASN CA C 22 50.820 50.820 51.034 -0.214 17918 3342 1 6 . 1 1 19 19 ASN CB C 22 40.496 40.496 40.147 0.349 17918 3343 1 6 . 1 1 19 19 ASN H H 22 8.412 8.412 7.808 0.604 17918 3344 1 6 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.695 -0.357 17918 3345 1 6 . 1 1 20 20 PRO C C 23 176.381 176.381 175.446 0.935 17918 3346 1 6 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.816 1.748 17918 3347 1 6 . 1 1 20 20 PRO CB C 23 29.310 29.310 29.745 -0.435 17918 3348 1 6 . 1 1 21 21 VAL N N 24 126.905 126.905 113.554 13.351 17918 3349 1 6 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.529 -0.181 17918 3350 1 6 . 1 1 21 21 VAL C C 24 176.393 176.393 174.413 1.980 17918 3351 1 6 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.566 3.273 17918 3352 1 6 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.763 0.223 17918 3353 1 6 . 1 1 21 21 VAL H H 24 8.810 8.810 7.823 0.987 17918 3354 1 6 . 1 1 22 22 SER N N 25 121.164 121.164 117.823 3.341 17918 3355 1 6 . 1 1 22 22 SER HA H 25 4.296 4.296 4.918 -0.622 17918 3356 1 6 . 1 1 22 22 SER C C 25 178.264 178.264 174.817 3.447 17918 3357 1 6 . 1 1 22 22 SER CA C 25 59.682 59.682 56.422 3.260 17918 3358 1 6 . 1 1 22 22 SER CB C 25 64.553 64.553 66.937 -2.384 17918 3359 1 6 . 1 1 22 22 SER H H 25 8.657 8.657 7.940 0.717 17918 3360 1 6 . 1 1 23 23 ARG N N 26 129.578 129.578 121.790 7.788 17918 3361 1 6 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.006 0.338 17918 3362 1 6 . 1 1 23 23 ARG C C 26 176.541 176.541 177.369 -0.828 17918 3363 1 6 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.571 0.689 17918 3364 1 6 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.793 1.089 17918 3365 1 6 . 1 1 23 23 ARG H H 26 8.837 8.837 8.877 -0.040 17918 3366 1 6 . 1 1 24 24 ARG N N 27 119.514 119.514 115.414 4.100 17918 3367 1 6 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.173 -0.383 17918 3368 1 6 . 1 1 24 24 ARG C C 27 177.905 177.905 177.319 0.586 17918 3369 1 6 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.233 0.583 17918 3370 1 6 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.434 2.630 17918 3371 1 6 . 1 1 24 24 ARG H H 27 7.439 7.439 8.361 -0.922 17918 3372 1 6 . 1 1 25 25 THR N N 28 127.221 127.221 107.763 19.458 17918 3373 1 6 . 1 1 25 25 THR HA H 28 4.258 4.258 4.392 -0.134 17918 3374 1 6 . 1 1 25 25 THR C C 28 177.078 177.078 175.716 1.362 17918 3375 1 6 . 1 1 25 25 THR CA C 28 62.291 62.291 62.097 0.194 17918 3376 1 6 . 1 1 25 25 THR CB C 28 71.224 71.224 72.074 -0.850 17918 3377 1 6 . 1 1 25 25 THR H H 28 7.088 7.088 7.741 -0.653 17918 3378 1 6 . 1 1 26 26 GLY N N 29 110.483 110.483 112.953 -2.470 17918 3379 1 6 . 1 1 26 26 GLY C C 29 174.471 174.471 173.560 0.911 17918 3380 1 6 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.903 0.566 17918 3381 1 6 . 1 1 26 26 GLY H H 29 7.678 7.678 8.766 -1.088 17918 3382 1 6 . 1 1 27 27 ASP N N 30 120.302 120.302 119.258 1.044 17918 3383 1 6 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.860 -0.097 17918 3384 1 6 . 1 1 27 27 ASP C C 30 177.147 177.147 175.020 2.127 17918 3385 1 6 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.286 0.477 17918 3386 1 6 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.799 0.151 17918 3387 1 6 . 1 1 27 27 ASP H H 30 8.128 8.128 8.206 -0.077 17918 3388 1 6 . 1 1 28 28 SER N N 31 113.726 113.726 113.345 0.381 17918 3389 1 6 . 1 1 28 28 SER HA H 31 4.629 4.629 4.869 -0.240 17918 3390 1 6 . 1 1 28 28 SER C C 31 178.127 178.127 173.138 4.989 17918 3391 1 6 . 1 1 28 28 SER CA C 31 58.869 58.869 58.209 0.660 17918 3392 1 6 . 1 1 28 28 SER CB C 31 64.796 64.796 66.453 -1.657 17918 3393 1 6 . 1 1 28 28 SER H H 31 8.633 8.633 7.516 1.117 17918 3394 1 6 . 1 1 29 29 THR N N 32 120.655 120.655 116.302 4.353 17918 3395 1 6 . 1 1 29 29 THR HA H 32 4.589 4.589 4.486 0.103 17918 3396 1 6 . 1 1 29 29 THR C C 32 176.368 176.368 173.377 2.991 17918 3397 1 6 . 1 1 29 29 THR CA C 32 62.892 62.892 62.131 0.761 17918 3398 1 6 . 1 1 29 29 THR CB C 32 69.624 69.624 68.942 0.682 17918 3399 1 6 . 1 1 29 29 THR H H 32 8.397 8.397 9.050 -0.653 17918 3400 1 6 . 1 1 30 30 ALA N N 33 124.923 124.923 123.449 1.474 17918 3401 1 6 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.361 -0.566 17918 3402 1 6 . 1 1 30 30 ALA C C 33 177.708 177.708 176.166 1.542 17918 3403 1 6 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.244 3.584 17918 3404 1 6 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.864 1.985 17918 3405 1 6 . 1 1 30 30 ALA H H 33 8.251 8.251 8.413 -0.162 17918 3406 1 6 . 1 1 31 31 ASP N N 34 114.016 114.016 118.271 -4.255 17918 3407 1 6 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.698 0.033 17918 3408 1 6 . 1 1 31 31 ASP C C 34 176.973 176.973 176.224 0.749 17918 3409 1 6 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.129 0.452 17918 3410 1 6 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.988 -1.088 17918 3411 1 6 . 1 1 31 31 ASP H H 34 8.398 8.398 8.021 0.377 17918 3412 1 6 . 1 1 32 32 VAL N N 35 123.637 123.637 119.054 4.583 17918 3413 1 6 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.611 -0.351 17918 3414 1 6 . 1 1 32 32 VAL C C 35 177.725 177.725 174.297 3.428 17918 3415 1 6 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.371 3.121 17918 3416 1 6 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.148 -0.391 17918 3417 1 6 . 1 1 32 32 VAL H H 35 7.323 7.323 7.335 -0.012 17918 3418 1 6 . 1 1 33 33 THR N N 36 121.552 121.552 117.294 4.258 17918 3419 1 6 . 1 1 33 33 THR HA H 36 4.642 4.642 4.767 -0.125 17918 3420 1 6 . 1 1 33 33 THR C C 36 176.268 176.268 175.140 1.128 17918 3421 1 6 . 1 1 33 33 THR CA C 36 62.597 62.597 59.868 2.729 17918 3422 1 6 . 1 1 33 33 THR CB C 36 72.388 72.388 71.439 0.949 17918 3423 1 6 . 1 1 33 33 THR H H 36 9.078 9.078 8.175 0.903 17918 3424 1 6 . 1 1 34 34 TYR N N 37 122.486 122.486 119.440 3.046 17918 3425 1 6 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.777 -0.343 17918 3426 1 6 . 1 1 34 34 TYR C C 37 177.216 177.216 177.310 -0.094 17918 3427 1 6 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.295 2.746 17918 3428 1 6 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.593 2.901 17918 3429 1 6 . 1 1 34 34 TYR H H 37 9.247 9.247 8.583 0.664 17918 3430 1 6 . 1 1 35 35 GLU N N 38 116.626 116.626 119.680 -3.054 17918 3431 1 6 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.582 0.097 17918 3432 1 6 . 1 1 35 35 GLU C C 38 180.453 180.453 178.712 1.741 17918 3433 1 6 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.379 2.066 17918 3434 1 6 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.643 1.516 17918 3435 1 6 . 1 1 35 35 GLU H H 38 8.782 8.782 7.896 0.886 17918 3436 1 6 . 1 1 36 36 ASP N N 39 120.670 120.670 119.958 0.712 17918 3437 1 6 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.345 0.027 17918 3438 1 6 . 1 1 36 36 ASP C C 39 180.015 180.015 178.305 1.710 17918 3439 1 6 . 1 1 36 36 ASP CA C 39 58.219 58.219 56.810 1.409 17918 3440 1 6 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.789 0.445 17918 3441 1 6 . 1 1 36 36 ASP H H 39 7.916 7.916 7.444 0.472 17918 3442 1 6 . 1 1 37 37 ALA N N 40 126.126 126.126 122.660 3.466 17918 3443 1 6 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.084 -0.244 17918 3444 1 6 . 1 1 37 37 ALA C C 40 179.923 179.923 179.612 0.311 17918 3445 1 6 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.114 1.231 17918 3446 1 6 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.720 1.133 17918 3447 1 6 . 1 1 37 37 ALA H H 40 8.318 8.318 8.153 0.165 17918 3448 1 6 . 1 1 38 38 ILE N N 41 118.850 118.850 119.114 -0.264 17918 3449 1 6 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.588 -0.120 17918 3450 1 6 . 1 1 38 38 ILE C C 41 179.106 179.106 177.834 1.272 17918 3451 1 6 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.082 -0.703 17918 3452 1 6 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.783 -0.492 17918 3453 1 6 . 1 1 38 38 ILE H H 41 8.151 8.151 8.299 -0.148 17918 3454 1 6 . 1 1 39 39 LYS N N 42 120.585 120.585 119.345 1.240 17918 3455 1 6 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.845 0.139 17918 3456 1 6 . 1 1 39 39 LYS C C 42 180.883 180.883 178.488 2.395 17918 3457 1 6 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.004 0.881 17918 3458 1 6 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.040 1.501 17918 3459 1 6 . 1 1 39 39 LYS H H 42 7.519 7.519 8.043 -0.524 17918 3460 1 6 . 1 1 40 40 GLU N N 43 121.167 121.167 119.613 1.554 17918 3461 1 6 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.032 0.284 17918 3462 1 6 . 1 1 40 40 GLU C C 43 179.969 179.969 178.931 1.038 17918 3463 1 6 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.357 0.649 17918 3464 1 6 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.600 1.141 17918 3465 1 6 . 1 1 40 40 GLU H H 43 7.911 7.911 7.639 0.272 17918 3466 1 6 . 1 1 41 41 LEU N N 44 121.081 121.081 120.652 0.429 17918 3467 1 6 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.204 -0.013 17918 3468 1 6 . 1 1 41 41 LEU C C 44 180.778 180.778 179.667 1.111 17918 3469 1 6 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.469 0.464 17918 3470 1 6 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.559 1.325 17918 3471 1 6 . 1 1 41 41 LEU H H 44 8.424 8.424 7.800 0.624 17918 3472 1 6 . 1 1 42 42 GLN N N 45 121.129 121.129 118.959 2.170 17918 3473 1 6 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.146 -0.117 17918 3474 1 6 . 1 1 42 42 GLN C C 45 179.911 179.911 178.817 1.094 17918 3475 1 6 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.612 1.747 17918 3476 1 6 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.373 0.649 17918 3477 1 6 . 1 1 42 42 GLN H H 45 8.971 8.971 8.422 0.549 17918 3478 1 6 . 1 1 43 43 LYS N N 46 121.830 121.830 120.962 0.868 17918 3479 1 6 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.002 0.005 17918 3480 1 6 . 1 1 43 43 LYS C C 46 180.898 180.898 178.806 2.092 17918 3481 1 6 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.463 1.181 17918 3482 1 6 . 1 1 43 43 LYS CB C 46 32.464 32.464 31.940 0.524 17918 3483 1 6 . 1 1 43 43 LYS H H 46 7.769 7.769 7.339 0.430 17918 3484 1 6 . 1 1 44 44 TRP N N 47 119.737 119.737 121.286 -1.549 17918 3485 1 6 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.241 -0.285 17918 3486 1 6 . 1 1 44 44 TRP C C 47 179.173 179.173 178.519 0.654 17918 3487 1 6 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.901 3.145 17918 3488 1 6 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.636 -0.021 17918 3489 1 6 . 1 1 44 44 TRP H H 47 8.002 8.002 8.537 -0.535 17918 3490 1 6 . 1 1 45 45 SER N N 48 114.940 114.940 113.428 1.512 17918 3491 1 6 . 1 1 45 45 SER HA H 48 4.072 4.072 4.059 0.013 17918 3492 1 6 . 1 1 45 45 SER C C 48 178.249 178.249 177.161 1.088 17918 3493 1 6 . 1 1 45 45 SER CA C 48 63.707 63.707 61.645 2.062 17918 3494 1 6 . 1 1 45 45 SER H H 48 8.901 8.901 8.799 0.102 17918 3495 1 6 . 1 1 46 46 GLN N N 49 121.411 121.411 122.764 -1.353 17918 3496 1 6 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.078 0.119 17918 3497 1 6 . 1 1 46 46 GLN C C 49 179.809 179.809 177.961 1.848 17918 3498 1 6 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.991 0.868 17918 3499 1 6 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.697 0.496 17918 3500 1 6 . 1 1 46 46 GLN H H 49 7.950 7.950 7.571 0.379 17918 3501 1 6 . 1 1 47 47 ARG N N 50 121.809 121.809 119.627 2.182 17918 3502 1 6 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.321 -0.270 17918 3503 1 6 . 1 1 47 47 ARG C C 50 179.464 179.464 179.253 0.211 17918 3504 1 6 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.571 1.476 17918 3505 1 6 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.403 1.590 17918 3506 1 6 . 1 1 47 47 ARG H H 50 7.834 7.834 8.192 -0.358 17918 3507 1 6 . 1 1 48 48 ILE N N 51 120.569 120.569 118.416 2.153 17918 3508 1 6 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.289 0.199 17918 3509 1 6 . 1 1 48 48 ILE C C 51 181.848 181.848 178.018 3.830 17918 3510 1 6 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.481 0.083 17918 3511 1 6 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.901 2.792 17918 3512 1 6 . 1 1 48 48 ILE H H 51 8.127 8.127 8.671 -0.544 17918 3513 1 6 . 1 1 49 49 ALA N N 52 124.538 124.538 120.712 3.826 17918 3514 1 6 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.153 0.056 17918 3515 1 6 . 1 1 49 49 ALA C C 52 181.120 181.120 178.862 2.258 17918 3516 1 6 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.243 2.176 17918 3517 1 6 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.046 0.370 17918 3518 1 6 . 1 1 49 49 ALA H H 52 8.526 8.526 7.419 1.107 17918 3519 1 6 . 1 1 50 50 SER N N 53 111.097 111.097 113.810 -2.713 17918 3520 1 6 . 1 1 50 50 SER HA H 53 4.428 4.428 4.324 0.104 17918 3521 1 6 . 1 1 50 50 SER C C 53 176.608 176.608 176.222 0.386 17918 3522 1 6 . 1 1 50 50 SER CA C 53 60.248 60.248 59.510 0.738 17918 3523 1 6 . 1 1 50 50 SER CB C 53 65.098 65.098 64.395 0.702 17918 3524 1 6 . 1 1 50 50 SER H H 53 8.124 8.124 8.416 -0.292 17918 3525 1 6 . 1 1 51 51 GLY N N 54 110.581 110.581 108.999 1.582 17918 3526 1 6 . 1 1 51 51 GLY C C 54 175.699 175.699 174.986 0.713 17918 3527 1 6 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.825 1.605 17918 3528 1 6 . 1 1 51 51 GLY H H 54 7.904 7.904 8.249 -0.345 17918 3529 1 6 . 1 1 52 52 GLU N N 55 122.231 122.231 120.497 1.734 17918 3530 1 6 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.106 -0.103 17918 3531 1 6 . 1 1 52 52 GLU C C 55 177.647 177.647 176.845 0.802 17918 3532 1 6 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.663 1.425 17918 3533 1 6 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.170 1.453 17918 3534 1 6 . 1 1 52 52 GLU H H 55 8.204 8.204 7.906 0.298 17918 3535 1 6 . 1 1 53 53 VAL N N 56 111.615 111.615 112.936 -1.321 17918 3536 1 6 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.570 0.009 17918 3537 1 6 . 1 1 53 53 VAL C C 56 175.225 175.225 174.765 0.460 17918 3538 1 6 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.973 -0.289 17918 3539 1 6 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.615 0.918 17918 3540 1 6 . 1 1 53 53 VAL H H 56 7.274 7.274 7.343 -0.069 17918 3541 1 6 . 1 1 54 54 SER N N 57 119.532 119.532 116.200 3.332 17918 3542 1 6 . 1 1 54 54 SER HA H 57 4.692 4.692 4.643 0.049 17918 3543 1 6 . 1 1 54 54 SER C C 57 176.092 176.092 175.461 0.631 17918 3544 1 6 . 1 1 54 54 SER CA C 57 58.189 58.189 56.982 1.207 17918 3545 1 6 . 1 1 54 54 SER CB C 57 66.447 66.447 65.354 1.093 17918 3546 1 6 . 1 1 54 54 SER H H 57 8.637 8.637 8.093 0.544 17918 3547 1 6 . 1 1 55 55 PHE N N 58 123.609 123.609 122.284 1.325 17918 3548 1 6 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.164 -0.510 17918 3549 1 6 . 1 1 55 55 PHE C C 58 177.469 177.469 177.020 0.449 17918 3550 1 6 . 1 1 55 55 PHE CA C 58 63.857 63.857 60.766 3.091 17918 3551 1 6 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.752 2.214 17918 3552 1 6 . 1 1 55 55 PHE H H 58 9.326 9.326 9.106 0.220 17918 3553 1 6 . 1 1 56 56 GLU N N 59 116.994 116.994 119.068 -2.074 17918 3554 1 6 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.249 -0.044 17918 3555 1 6 . 1 1 56 56 GLU C C 59 180.852 180.852 179.377 1.475 17918 3556 1 6 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.879 1.488 17918 3557 1 6 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.142 0.688 17918 3558 1 6 . 1 1 56 56 GLU H H 59 9.464 9.464 8.899 0.565 17918 3559 1 6 . 1 1 57 57 GLU N N 60 122.452 122.452 118.850 3.602 17918 3560 1 6 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.049 -0.026 17918 3561 1 6 . 1 1 57 57 GLU C C 60 179.899 179.899 178.524 1.375 17918 3562 1 6 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.858 1.155 17918 3563 1 6 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.105 2.080 17918 3564 1 6 . 1 1 57 57 GLU H H 60 7.978 7.978 7.708 0.270 17918 3565 1 6 . 1 1 58 58 ALA N N 61 123.053 123.053 121.896 1.157 17918 3566 1 6 . 1 1 58 58 ALA HA H 61 3.581 3.581 2.969 0.612 17918 3567 1 6 . 1 1 58 58 ALA C C 61 179.854 179.854 178.791 1.063 17918 3568 1 6 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.498 1.383 17918 3569 1 6 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.596 2.464 17918 3570 1 6 . 1 1 58 58 ALA H H 61 8.157 8.157 7.174 0.983 17918 3571 1 6 . 1 1 59 59 ALA N N 62 120.029 120.029 120.899 -0.870 17918 3572 1 6 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.942 -0.390 17918 3573 1 6 . 1 1 59 59 ALA C C 62 181.080 181.080 179.867 1.213 17918 3574 1 6 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.947 1.471 17918 3575 1 6 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.600 -0.558 17918 3576 1 6 . 1 1 59 59 ALA H H 62 8.540 8.540 8.389 0.151 17918 3577 1 6 . 1 1 60 60 SER N N 63 113.010 113.010 111.576 1.434 17918 3578 1 6 . 1 1 60 60 SER HA H 63 4.766 4.766 4.383 0.383 17918 3579 1 6 . 1 1 60 60 SER C C 63 176.299 176.299 175.686 0.613 17918 3580 1 6 . 1 1 60 60 SER CA C 63 62.414 62.414 61.380 1.034 17918 3581 1 6 . 1 1 60 60 SER CB C 63 64.687 64.687 63.432 1.255 17918 3582 1 6 . 1 1 60 60 SER H H 63 8.013 8.013 7.880 0.133 17918 3583 1 6 . 1 1 61 61 GLN N N 64 115.830 115.830 116.377 -0.547 17918 3584 1 6 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.384 -0.254 17918 3585 1 6 . 1 1 61 61 GLN C C 64 178.579 178.579 177.026 1.553 17918 3586 1 6 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.328 1.038 17918 3587 1 6 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.638 1.738 17918 3588 1 6 . 1 1 61 61 GLN H H 64 7.496 7.496 7.434 0.062 17918 3589 1 6 . 1 1 62 62 ARG N N 65 115.716 115.716 117.684 -1.968 17918 3590 1 6 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.428 0.033 17918 3591 1 6 . 1 1 62 62 ARG C C 65 176.601 176.601 176.777 -0.176 17918 3592 1 6 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.226 -2.595 17918 3593 1 6 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.839 1.817 17918 3594 1 6 . 1 1 62 62 ARG H H 65 7.693 7.693 8.521 -0.828 17918 3595 1 6 . 1 1 63 63 SER N N 66 114.680 114.680 115.625 -0.945 17918 3596 1 6 . 1 1 63 63 SER HA H 66 4.222 4.222 4.620 -0.398 17918 3597 1 6 . 1 1 63 63 SER C C 66 177.034 177.034 175.029 2.005 17918 3598 1 6 . 1 1 63 63 SER CA C 66 59.677 59.677 58.389 1.288 17918 3599 1 6 . 1 1 63 63 SER CB C 66 65.786 65.786 63.478 2.308 17918 3600 1 6 . 1 1 63 63 SER H H 66 8.528 8.528 7.605 0.923 17918 3601 1 6 . 1 1 64 64 ASP N N 67 123.612 123.612 125.999 -2.387 17918 3602 1 6 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.437 0.462 17918 3603 1 6 . 1 1 64 64 ASP C C 67 176.674 176.674 176.732 -0.058 17918 3604 1 6 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.489 -0.498 17918 3605 1 6 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.590 2.067 17918 3606 1 6 . 1 1 64 64 ASP H H 67 9.645 9.645 8.852 0.793 17918 3607 1 6 . 1 1 65 65 CYS N N 68 124.716 124.716 116.573 8.143 17918 3608 1 6 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.622 -0.177 17918 3609 1 6 . 1 1 65 65 CYS C C 68 177.747 177.747 177.330 0.417 17918 3610 1 6 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.886 1.232 17918 3611 1 6 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.741 0.719 17918 3612 1 6 . 1 1 65 65 CYS H H 68 7.903 7.903 7.488 0.415 17918 3613 1 6 . 1 1 66 66 GLY N N 69 118.503 118.503 110.969 7.534 17918 3614 1 6 . 1 1 66 66 GLY C C 69 175.872 175.872 175.421 0.451 17918 3615 1 6 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.368 1.574 17918 3616 1 6 . 1 1 66 66 GLY H H 69 8.811 8.811 9.075 -0.264 17918 3617 1 6 . 1 1 67 67 SER N N 70 120.316 120.316 118.105 2.211 17918 3618 1 6 . 1 1 67 67 SER HA H 70 4.245 4.245 4.047 0.198 17918 3619 1 6 . 1 1 67 67 SER C C 70 178.404 178.404 176.081 2.323 17918 3620 1 6 . 1 1 67 67 SER CA C 70 61.611 61.611 60.351 1.260 17918 3621 1 6 . 1 1 67 67 SER CB C 70 64.297 64.297 62.179 2.118 17918 3622 1 6 . 1 1 67 67 SER H H 70 9.556 9.556 8.305 1.251 17918 3623 1 6 . 1 1 68 68 TYR N N 71 129.376 129.376 121.718 7.658 17918 3624 1 6 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.374 -0.343 17918 3625 1 6 . 1 1 68 68 TYR C C 71 177.613 177.613 177.549 0.064 17918 3626 1 6 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.816 2.575 17918 3627 1 6 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.772 0.025 17918 3628 1 6 . 1 1 68 68 TYR H H 71 8.584 8.584 8.433 0.151 17918 3629 1 6 . 1 1 69 69 ALA N N 72 122.673 122.673 120.578 2.095 17918 3630 1 6 . 1 1 69 69 ALA HA H 72 3.645 3.645 4.005 -0.360 17918 3631 1 6 . 1 1 69 69 ALA C C 72 179.011 179.011 178.087 0.924 17918 3632 1 6 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.426 0.864 17918 3633 1 6 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.059 1.062 17918 3634 1 6 . 1 1 69 69 ALA H H 72 5.645 5.645 7.171 -1.526 17918 3635 1 6 . 1 1 70 70 SER N N 73 114.496 114.496 113.105 1.391 17918 3636 1 6 . 1 1 70 70 SER HA H 73 4.782 4.782 4.425 0.357 17918 3637 1 6 . 1 1 70 70 SER C C 73 177.320 177.320 175.385 1.935 17918 3638 1 6 . 1 1 70 70 SER CA C 73 57.287 57.287 58.351 -1.064 17918 3639 1 6 . 1 1 70 70 SER CB C 73 64.538 64.538 64.015 0.523 17918 3640 1 6 . 1 1 70 70 SER H H 73 7.654 7.654 7.494 0.160 17918 3641 1 6 . 1 1 71 71 GLY N N 74 112.182 112.182 109.983 2.199 17918 3642 1 6 . 1 1 71 71 GLY C C 74 174.379 174.379 174.460 -0.081 17918 3643 1 6 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.957 3.477 17918 3644 1 6 . 1 1 71 71 GLY H H 74 7.933 7.933 7.700 0.233 17918 3645 1 6 . 1 1 72 72 GLY N N 75 126.463 126.463 108.703 17.760 17918 3646 1 6 . 1 1 72 72 GLY C C 75 175.121 175.121 172.487 2.634 17918 3647 1 6 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.504 0.568 17918 3648 1 6 . 1 1 72 72 GLY H H 75 7.994 7.994 8.507 -0.513 17918 3649 1 6 . 1 1 73 73 ASP N N 76 118.815 118.815 120.697 -1.882 17918 3650 1 6 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.461 -0.047 17918 3651 1 6 . 1 1 73 73 ASP C C 76 177.362 177.362 174.651 2.711 17918 3652 1 6 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.608 2.515 17918 3653 1 6 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.751 -0.300 17918 3654 1 6 . 1 1 73 73 ASP H H 76 6.956 6.956 7.596 -0.640 17918 3655 1 6 . 1 1 74 74 LEU N N 77 128.720 128.720 122.975 5.745 17918 3656 1 6 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.501 -0.146 17918 3657 1 6 . 1 1 74 74 LEU C C 77 179.412 179.412 177.340 2.072 17918 3658 1 6 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.618 2.516 17918 3659 1 6 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.488 1.354 17918 3660 1 6 . 1 1 74 74 LEU H H 77 8.694 8.694 8.218 0.476 17918 3661 1 6 . 1 1 75 75 GLY N N 78 109.695 109.695 107.977 1.718 17918 3662 1 6 . 1 1 75 75 GLY C C 78 173.473 173.473 174.738 -1.265 17918 3663 1 6 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.124 0.222 17918 3664 1 6 . 1 1 75 75 GLY H H 78 8.682 8.682 7.715 0.967 17918 3665 1 6 . 1 1 76 76 PHE N N 79 115.646 115.646 115.785 -0.139 17918 3666 1 6 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.944 1.275 17918 3667 1 6 . 1 1 76 76 PHE C C 79 178.904 178.904 174.423 4.481 17918 3668 1 6 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.727 -0.271 17918 3669 1 6 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.976 3.841 17918 3670 1 6 . 1 1 76 76 PHE H H 79 8.203 8.203 7.397 0.806 17918 3671 1 6 . 1 1 77 77 PHE N N 80 119.508 119.508 115.480 4.028 17918 3672 1 6 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.096 0.041 17918 3673 1 6 . 1 1 77 77 PHE C C 80 174.331 174.331 173.705 0.626 17918 3674 1 6 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.814 1.082 17918 3675 1 6 . 1 1 77 77 PHE CB C 80 42.463 42.463 40.875 1.588 17918 3676 1 6 . 1 1 77 77 PHE H H 80 9.112 9.112 8.924 0.188 17918 3677 1 6 . 1 1 78 78 SER N N 81 116.578 116.578 117.569 -0.991 17918 3678 1 6 . 1 1 78 78 SER HA H 81 4.957 4.957 4.829 0.128 17918 3679 1 6 . 1 1 78 78 SER C C 81 176.191 176.191 176.051 0.140 17918 3680 1 6 . 1 1 78 78 SER CA C 81 58.065 58.065 58.158 -0.093 17918 3681 1 6 . 1 1 78 78 SER CB C 81 66.514 66.514 64.686 1.828 17918 3682 1 6 . 1 1 78 78 SER H H 81 8.930 8.930 8.693 0.237 17918 3683 1 6 . 1 1 79 79 SER N N 82 118.715 118.715 123.241 -4.526 17918 3684 1 6 . 1 1 79 79 SER HA H 82 4.420 4.420 4.300 0.120 17918 3685 1 6 . 1 1 79 79 SER C C 82 176.946 176.946 176.584 0.362 17918 3686 1 6 . 1 1 79 79 SER CA C 82 60.988 60.988 61.084 -0.096 17918 3687 1 6 . 1 1 79 79 SER CB C 82 64.242 64.242 62.618 1.624 17918 3688 1 6 . 1 1 79 79 SER H H 82 8.751 8.751 9.384 -0.633 17918 3689 1 6 . 1 1 80 80 GLY N N 83 117.069 117.069 109.372 7.697 17918 3690 1 6 . 1 1 80 80 GLY C C 83 175.628 175.628 173.812 1.816 17918 3691 1 6 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.100 1.532 17918 3692 1 6 . 1 1 80 80 GLY H H 83 10.009 10.009 8.493 1.516 17918 3693 1 6 . 1 1 81 81 GLU N N 84 120.322 120.322 120.553 -0.231 17918 3694 1 6 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.370 -0.139 17918 3695 1 6 . 1 1 81 81 GLU C C 84 178.456 178.456 176.315 2.141 17918 3696 1 6 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.056 3.671 17918 3697 1 6 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.282 2.439 17918 3698 1 6 . 1 1 81 81 GLU H H 84 7.812 7.812 8.188 -0.376 17918 3699 1 6 . 1 1 82 82 MET N N 85 117.156 117.156 116.385 0.771 17918 3700 1 6 . 1 1 82 82 MET HA H 85 4.569 4.569 4.752 -0.183 17918 3701 1 6 . 1 1 82 82 MET C C 85 176.991 176.991 175.411 1.580 17918 3702 1 6 . 1 1 82 82 MET CA C 85 53.174 53.174 53.643 -0.469 17918 3703 1 6 . 1 1 82 82 MET CB C 85 34.386 34.386 33.600 0.786 17918 3704 1 6 . 1 1 82 82 MET H H 85 8.601 8.601 7.471 1.130 17918 3705 1 6 . 1 1 83 83 MET N N 86 119.413 119.413 119.389 0.024 17918 3706 1 6 . 1 1 83 83 MET HA H 86 4.273 4.273 4.548 -0.275 17918 3707 1 6 . 1 1 83 83 MET C C 86 178.979 178.979 177.343 1.636 17918 3708 1 6 . 1 1 83 83 MET CA C 86 58.320 58.320 54.609 3.711 17918 3709 1 6 . 1 1 83 83 MET CB C 86 34.339 34.339 32.388 1.951 17918 3710 1 6 . 1 1 83 83 MET H H 86 8.413 8.413 8.359 0.054 17918 3711 1 6 . 1 1 84 84 LYS N N 87 126.834 126.834 124.217 2.617 17918 3712 1 6 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.153 0.587 17918 3713 1 6 . 1 1 84 84 LYS C C 87 175.267 175.267 177.062 -1.795 17918 3714 1 6 . 1 1 84 84 LYS CA C 87 62.461 62.461 60.761 1.700 17918 3715 1 6 . 1 1 84 84 LYS CB C 87 31.435 31.435 29.621 1.814 17918 3716 1 6 . 1 1 84 84 LYS H H 87 9.099 9.099 8.803 0.296 17918 3717 1 6 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.372 0.093 17918 3718 1 6 . 1 1 85 85 PRO C C 88 180.671 180.671 178.902 1.769 17918 3719 1 6 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.511 1.232 17918 3720 1 6 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.684 0.572 17918 3721 1 6 . 1 1 86 86 PHE N N 89 116.583 116.583 119.133 -2.550 17918 3722 1 6 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.164 -0.517 17918 3723 1 6 . 1 1 86 86 PHE C C 89 177.086 177.086 176.954 0.132 17918 3724 1 6 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.368 1.116 17918 3725 1 6 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.356 2.154 17918 3726 1 6 . 1 1 86 86 PHE H H 89 7.102 7.102 7.861 -0.759 17918 3727 1 6 . 1 1 87 87 GLU N N 90 120.506 120.506 120.083 0.423 17918 3728 1 6 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.645 0.079 17918 3729 1 6 . 1 1 87 87 GLU C C 90 179.102 179.102 178.555 0.547 17918 3730 1 6 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.438 2.419 17918 3731 1 6 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.143 1.641 17918 3732 1 6 . 1 1 87 87 GLU H H 90 8.126 8.126 8.791 -0.665 17918 3733 1 6 . 1 1 88 88 ASP N N 91 118.355 118.355 118.724 -0.369 17918 3734 1 6 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.392 -0.157 17918 3735 1 6 . 1 1 88 88 ASP C C 91 180.067 180.067 178.569 1.498 17918 3736 1 6 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.299 1.005 17918 3737 1 6 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.721 0.305 17918 3738 1 6 . 1 1 88 88 ASP H H 91 9.121 9.121 8.378 0.743 17918 3739 1 6 . 1 1 89 89 ALA N N 92 121.718 121.718 122.394 -0.676 17918 3740 1 6 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.140 -0.068 17918 3741 1 6 . 1 1 89 89 ALA C C 92 181.131 181.131 179.259 1.872 17918 3742 1 6 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.893 0.952 17918 3743 1 6 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.465 1.633 17918 3744 1 6 . 1 1 89 89 ALA H H 92 7.154 7.154 7.454 -0.300 17918 3745 1 6 . 1 1 90 90 VAL N N 93 117.315 117.315 117.676 -0.361 17918 3746 1 6 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.448 -0.033 17918 3747 1 6 . 1 1 90 90 VAL C C 93 178.908 178.908 177.939 0.969 17918 3748 1 6 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.778 1.976 17918 3749 1 6 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.398 0.951 17918 3750 1 6 . 1 1 90 90 VAL H H 93 7.797 7.797 6.972 0.825 17918 3751 1 6 . 1 1 91 91 ARG N N 94 116.826 116.826 118.505 -1.679 17918 3752 1 6 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.143 -0.289 17918 3753 1 6 . 1 1 91 91 ARG C C 94 177.858 177.858 178.587 -0.729 17918 3754 1 6 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.774 1.692 17918 3755 1 6 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.617 1.471 17918 3756 1 6 . 1 1 91 91 ARG H H 94 8.154 8.154 7.798 0.356 17918 3757 1 6 . 1 1 92 92 ALA N N 95 118.849 118.849 121.998 -3.149 17918 3758 1 6 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.200 0.093 17918 3759 1 6 . 1 1 92 92 ALA C C 95 178.452 178.452 177.980 0.472 17918 3760 1 6 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.885 -0.408 17918 3761 1 6 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.018 1.129 17918 3762 1 6 . 1 1 92 92 ALA H H 95 7.067 7.067 7.431 -0.364 17918 3763 1 6 . 1 1 93 93 LEU N N 96 120.871 120.871 114.349 6.522 17918 3764 1 6 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.532 -0.018 17918 3765 1 6 . 1 1 93 93 LEU C C 96 179.045 179.045 176.279 2.766 17918 3766 1 6 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.365 1.798 17918 3767 1 6 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.862 2.070 17918 3768 1 6 . 1 1 93 93 LEU H H 96 7.396 7.396 7.337 0.059 17918 3769 1 6 . 1 1 94 94 LYS N N 97 121.289 121.289 119.800 1.489 17918 3770 1 6 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.429 -0.021 17918 3771 1 6 . 1 1 94 94 LYS C C 97 178.629 178.629 176.983 1.646 17918 3772 1 6 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.700 1.594 17918 3773 1 6 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.331 -0.936 17918 3774 1 6 . 1 1 94 94 LYS H H 97 8.274 8.274 8.673 -0.399 17918 3775 1 6 . 1 1 95 95 ILE N N 98 122.343 122.343 124.493 -2.150 17918 3776 1 6 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.682 -0.617 17918 3777 1 6 . 1 1 95 95 ILE C C 98 178.406 178.406 177.001 1.405 17918 3778 1 6 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.615 2.679 17918 3779 1 6 . 1 1 95 95 ILE CB C 98 38.162 38.162 37.054 1.108 17918 3780 1 6 . 1 1 95 95 ILE H H 98 8.396 8.396 8.582 -0.186 17918 3781 1 6 . 1 1 96 96 GLY N N 99 118.074 118.074 116.100 1.974 17918 3782 1 6 . 1 1 96 96 GLY C C 99 174.605 174.605 174.166 0.439 17918 3783 1 6 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.447 1.726 17918 3784 1 6 . 1 1 96 96 GLY H H 99 8.988 8.988 8.776 0.212 17918 3785 1 6 . 1 1 97 97 ASP N N 100 121.984 121.984 121.587 0.397 17918 3786 1 6 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.874 -0.079 17918 3787 1 6 . 1 1 97 97 ASP C C 100 175.344 175.344 175.184 0.160 17918 3788 1 6 . 1 1 97 97 ASP CA C 100 55.037 55.037 53.656 1.381 17918 3789 1 6 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.413 1.540 17918 3790 1 6 . 1 1 97 97 ASP H H 100 7.978 7.978 8.587 -0.609 17918 3791 1 6 . 1 1 98 98 ILE N N 101 117.483 117.483 121.008 -3.525 17918 3792 1 6 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.524 0.636 17918 3793 1 6 . 1 1 98 98 ILE C C 101 178.147 178.147 175.846 2.301 17918 3794 1 6 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.673 0.662 17918 3795 1 6 . 1 1 98 98 ILE CB C 101 41.293 41.293 39.765 1.528 17918 3796 1 6 . 1 1 98 98 ILE H H 101 8.048 8.048 8.309 -0.261 17918 3797 1 6 . 1 1 99 99 SER N N 102 126.778 126.778 125.789 0.989 17918 3798 1 6 . 1 1 99 99 SER HA H 102 4.526 4.526 4.928 -0.402 17918 3799 1 6 . 1 1 99 99 SER C C 102 172.735 172.735 173.431 -0.696 17918 3800 1 6 . 1 1 99 99 SER CA C 102 59.441 59.441 56.629 2.812 17918 3801 1 6 . 1 1 99 99 SER CB C 102 64.572 64.572 62.875 1.697 17918 3802 1 6 . 1 1 99 99 SER H H 102 9.722 9.722 9.083 0.639 17918 3803 1 6 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.540 0.279 17918 3804 1 6 . 1 1 100 100 PRO C C 103 176.647 176.647 177.176 -0.529 17918 3805 1 6 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.649 0.479 17918 3806 1 6 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.362 1.077 17918 3807 1 6 . 1 1 101 101 ILE N N 104 120.048 120.048 118.944 1.104 17918 3808 1 6 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.491 -0.184 17918 3809 1 6 . 1 1 101 101 ILE C C 104 178.021 178.021 176.302 1.719 17918 3810 1 6 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.918 3.223 17918 3811 1 6 . 1 1 101 101 ILE CB C 104 38.970 38.970 38.004 0.966 17918 3812 1 6 . 1 1 101 101 ILE H H 104 8.199 8.199 8.278 -0.079 17918 3813 1 6 . 1 1 102 102 VAL N N 105 130.676 130.676 128.273 2.403 17918 3814 1 6 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.572 -0.215 17918 3815 1 6 . 1 1 102 102 VAL C C 105 175.118 175.118 174.313 0.805 17918 3816 1 6 . 1 1 102 102 VAL CA C 105 61.807 61.807 60.009 1.798 17918 3817 1 6 . 1 1 102 102 VAL CB C 105 37.383 37.383 35.337 2.046 17918 3818 1 6 . 1 1 102 102 VAL H H 105 9.285 9.285 9.104 0.181 17918 3819 1 6 . 1 1 103 103 GLN N N 106 128.464 128.464 128.257 0.207 17918 3820 1 6 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.990 0.459 17918 3821 1 6 . 1 1 103 103 GLN C C 106 176.704 176.704 175.791 0.913 17918 3822 1 6 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.340 -0.280 17918 3823 1 6 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.666 1.366 17918 3824 1 6 . 1 1 103 103 GLN H H 106 8.900 8.900 8.874 0.026 17918 3825 1 6 . 1 1 104 104 THR N N 107 116.680 116.680 117.652 -0.972 17918 3826 1 6 . 1 1 104 104 THR HA H 107 4.978 4.978 4.637 0.341 17918 3827 1 6 . 1 1 104 104 THR C C 107 177.189 177.189 174.495 2.694 17918 3828 1 6 . 1 1 104 104 THR CA C 107 61.836 61.836 59.496 2.340 17918 3829 1 6 . 1 1 104 104 THR CB C 107 73.663 73.663 70.566 3.097 17918 3830 1 6 . 1 1 104 104 THR H H 107 9.275 9.275 9.003 0.272 17918 3831 1 6 . 1 1 105 105 ASP N N 108 119.651 119.651 119.338 0.313 17918 3832 1 6 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.364 0.214 17918 3833 1 6 . 1 1 105 105 ASP C C 108 179.034 179.034 176.513 2.521 17918 3834 1 6 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.684 1.271 17918 3835 1 6 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.447 1.569 17918 3836 1 6 . 1 1 105 105 ASP H H 108 8.945 8.945 8.694 0.251 17918 3837 1 6 . 1 1 106 106 SER N N 109 114.257 114.257 114.523 -0.266 17918 3838 1 6 . 1 1 106 106 SER HA H 109 4.642 4.642 4.376 0.266 17918 3839 1 6 . 1 1 106 106 SER C C 109 177.224 177.224 174.278 2.946 17918 3840 1 6 . 1 1 106 106 SER CA C 109 62.788 62.788 59.251 3.537 17918 3841 1 6 . 1 1 106 106 SER CB C 109 64.767 64.767 64.154 0.613 17918 3842 1 6 . 1 1 106 106 SER H H 109 8.968 8.968 8.154 0.814 17918 3843 1 6 . 1 1 107 107 GLY N N 110 111.288 111.288 107.148 4.140 17918 3844 1 6 . 1 1 107 107 GLY C C 110 169.468 169.468 172.277 -2.809 17918 3845 1 6 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.433 1.265 17918 3846 1 6 . 1 1 107 107 GLY H H 110 7.829 7.829 7.319 0.510 17918 3847 1 6 . 1 1 108 108 LEU N N 111 122.506 122.506 121.712 0.794 17918 3848 1 6 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.042 0.329 17918 3849 1 6 . 1 1 108 108 LEU C C 111 175.948 175.948 175.580 0.368 17918 3850 1 6 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.068 0.208 17918 3851 1 6 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.561 1.214 17918 3852 1 6 . 1 1 108 108 LEU H H 111 8.143 8.143 8.731 -0.588 17918 3853 1 6 . 1 1 109 109 HIS N N 112 119.518 119.518 122.407 -2.889 17918 3854 1 6 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.895 0.200 17918 3855 1 6 . 1 1 109 109 HIS C C 112 179.186 179.186 174.752 4.434 17918 3856 1 6 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.589 0.791 17918 3857 1 6 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.946 -0.108 17918 3858 1 6 . 1 1 109 109 HIS H H 112 9.764 9.764 9.043 0.721 17918 3859 1 6 . 1 1 110 110 ILE N N 113 113.128 113.128 118.348 -5.220 17918 3860 1 6 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.772 -0.313 17918 3861 1 6 . 1 1 110 110 ILE C C 113 176.666 176.666 174.060 2.606 17918 3862 1 6 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.233 4.204 17918 3863 1 6 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.509 2.227 17918 3864 1 6 . 1 1 110 110 ILE H H 113 8.117 8.117 8.571 -0.454 17918 3865 1 6 . 1 1 111 111 ILE N N 114 125.121 125.121 122.799 2.322 17918 3866 1 6 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.316 -0.546 17918 3867 1 6 . 1 1 111 111 ILE C C 114 173.792 173.792 174.910 -1.118 17918 3868 1 6 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.832 2.152 17918 3869 1 6 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.100 1.583 17918 3870 1 6 . 1 1 111 111 ILE H H 114 8.604 8.604 8.621 -0.017 17918 3871 1 6 . 1 1 112 112 LYS N N 115 127.966 127.966 123.608 4.358 17918 3872 1 6 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.370 -0.197 17918 3873 1 6 . 1 1 112 112 LYS C C 115 177.267 177.267 174.917 2.350 17918 3874 1 6 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.357 0.018 17918 3875 1 6 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.834 -0.321 17918 3876 1 6 . 1 1 112 112 LYS H H 115 9.075 9.075 9.236 -0.161 17918 3877 1 6 . 1 1 113 113 ARG N N 116 126.762 126.762 123.710 3.052 17918 3878 1 6 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.228 0.107 17918 3879 1 6 . 1 1 113 113 ARG C C 116 176.109 176.109 175.847 0.262 17918 3880 1 6 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.170 1.653 17918 3881 1 6 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.293 0.564 17918 3882 1 6 . 1 1 113 113 ARG H H 116 7.830 7.830 8.429 -0.599 17918 3883 1 6 . 1 1 114 114 LEU N N 117 128.545 128.545 126.066 2.479 17918 3884 1 6 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.529 0.094 17918 3885 1 6 . 1 1 114 114 LEU C C 117 176.857 176.857 175.636 1.221 17918 3886 1 6 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.294 1.698 17918 3887 1 6 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.562 1.577 17918 3888 1 6 . 1 1 114 114 LEU H H 117 8.534 8.534 9.055 -0.521 17918 3889 1 7 . 1 1 2 2 SER N N 5 117.478 117.478 116.569 0.909 17918 3890 1 7 . 1 1 2 2 SER HA H 5 4.393 4.393 4.434 -0.041 17918 3891 1 7 . 1 1 2 2 SER C C 5 175.466 175.466 175.303 0.163 17918 3892 1 7 . 1 1 2 2 SER CA C 5 59.622 59.622 59.778 -0.156 17918 3893 1 7 . 1 1 2 2 SER CB C 5 64.896 64.896 63.651 1.245 17918 3894 1 7 . 1 1 2 2 SER H H 5 8.317 8.317 8.387 -0.070 17918 3895 1 7 . 1 1 3 3 GLU N N 6 123.783 123.783 119.968 3.815 17918 3896 1 7 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.516 -0.238 17918 3897 1 7 . 1 1 3 3 GLU C C 6 177.189 177.189 175.074 2.115 17918 3898 1 7 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.314 2.477 17918 3899 1 7 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.957 0.611 17918 3900 1 7 . 1 1 3 3 GLU H H 6 8.359 8.359 7.783 0.576 17918 3901 1 7 . 1 1 4 4 LYS N N 7 122.875 122.875 119.081 3.794 17918 3902 1 7 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.376 0.138 17918 3903 1 7 . 1 1 4 4 LYS C C 7 176.557 176.557 174.728 1.829 17918 3904 1 7 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.097 -0.271 17918 3905 1 7 . 1 1 4 4 LYS CB C 7 35.393 35.393 32.460 2.933 17918 3906 1 7 . 1 1 4 4 LYS H H 7 8.193 8.193 8.492 -0.299 17918 3907 1 7 . 1 1 5 5 LEU N N 8 123.258 123.258 120.616 2.642 17918 3908 1 7 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.765 -0.371 17918 3909 1 7 . 1 1 5 5 LEU C C 8 175.699 175.699 173.361 2.338 17918 3910 1 7 . 1 1 5 5 LEU CA C 8 54.542 54.542 54.269 0.273 17918 3911 1 7 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.631 -0.119 17918 3912 1 7 . 1 1 5 5 LEU H H 8 8.265 8.265 8.889 -0.624 17918 3913 1 7 . 1 1 6 6 ARG N N 9 117.197 117.197 118.932 -1.735 17918 3914 1 7 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.433 1.171 17918 3915 1 7 . 1 1 6 6 ARG C C 9 175.633 175.633 173.265 2.368 17918 3916 1 7 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.157 2.018 17918 3917 1 7 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.845 2.575 17918 3918 1 7 . 1 1 6 6 ARG H H 9 7.759 7.759 8.355 -0.596 17918 3919 1 7 . 1 1 7 7 ALA N N 10 126.954 126.954 127.258 -0.304 17918 3920 1 7 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.085 0.055 17918 3921 1 7 . 1 1 7 7 ALA C C 10 174.004 174.004 174.954 -0.950 17918 3922 1 7 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.493 0.374 17918 3923 1 7 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.067 1.940 17918 3924 1 7 . 1 1 7 7 ALA H H 10 7.637 7.637 8.496 -0.859 17918 3925 1 7 . 1 1 8 8 ALA N N 11 122.081 122.081 124.064 -1.983 17918 3926 1 7 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.516 1.274 17918 3927 1 7 . 1 1 8 8 ALA C C 11 177.446 177.446 175.240 2.206 17918 3928 1 7 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.380 -0.104 17918 3929 1 7 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.827 2.794 17918 3930 1 7 . 1 1 8 8 ALA H H 11 8.991 8.991 8.436 0.555 17918 3931 1 7 . 1 1 9 9 HIS N N 12 118.002 118.002 119.187 -1.185 17918 3932 1 7 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.416 0.713 17918 3933 1 7 . 1 1 9 9 HIS C C 12 172.689 172.689 172.814 -0.125 17918 3934 1 7 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.569 1.527 17918 3935 1 7 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.100 5.631 17918 3936 1 7 . 1 1 9 9 HIS H H 12 9.489 9.489 7.914 1.575 17918 3937 1 7 . 1 1 10 10 LEU N N 13 126.276 126.276 120.705 5.571 17918 3938 1 7 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.992 -1.086 17918 3939 1 7 . 1 1 10 10 LEU C C 13 174.163 174.163 174.892 -0.729 17918 3940 1 7 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.649 3.054 17918 3941 1 7 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.186 -0.619 17918 3942 1 7 . 1 1 10 10 LEU H H 13 8.866 8.866 9.268 -0.402 17918 3943 1 7 . 1 1 11 11 LEU N N 14 127.134 127.134 127.560 -0.426 17918 3944 1 7 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.463 -0.725 17918 3945 1 7 . 1 1 11 11 LEU C C 14 175.626 175.626 174.636 0.990 17918 3946 1 7 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.298 0.305 17918 3947 1 7 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.007 0.688 17918 3948 1 7 . 1 1 11 11 LEU H H 14 7.762 7.762 8.713 -0.951 17918 3949 1 7 . 1 1 12 12 VAL N N 15 129.450 129.450 128.557 0.893 17918 3950 1 7 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.475 -0.065 17918 3951 1 7 . 1 1 12 12 VAL C C 15 177.055 177.055 174.985 2.070 17918 3952 1 7 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.083 1.758 17918 3953 1 7 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.844 -0.455 17918 3954 1 7 . 1 1 12 12 VAL H H 15 9.667 9.667 8.874 0.793 17918 3955 1 7 . 1 1 13 13 LYS N N 16 127.188 127.188 126.943 0.245 17918 3956 1 7 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.704 -0.222 17918 3957 1 7 . 1 1 13 13 LYS C C 16 176.034 176.034 175.266 0.768 17918 3958 1 7 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.055 3.111 17918 3959 1 7 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.969 2.825 17918 3960 1 7 . 1 1 13 13 LYS H H 16 9.138 9.138 8.513 0.625 17918 3961 1 7 . 1 1 14 14 PHE N N 17 117.138 117.138 120.211 -3.073 17918 3962 1 7 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.945 0.309 17918 3963 1 7 . 1 1 14 14 PHE C C 17 176.588 176.588 176.731 -0.143 17918 3964 1 7 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.404 2.184 17918 3965 1 7 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.410 -0.051 17918 3966 1 7 . 1 1 14 14 PHE H H 17 8.617 8.617 7.983 0.634 17918 3967 1 7 . 1 1 15 15 SER N N 18 120.047 120.047 117.232 2.815 17918 3968 1 7 . 1 1 15 15 SER HA H 18 4.019 4.019 4.158 -0.139 17918 3969 1 7 . 1 1 15 15 SER C C 18 180.099 180.099 176.095 4.004 17918 3970 1 7 . 1 1 15 15 SER CA C 18 62.865 62.865 61.805 1.060 17918 3971 1 7 . 1 1 15 15 SER CB C 18 64.300 64.300 62.873 1.427 17918 3972 1 7 . 1 1 15 15 SER H H 18 9.437 9.437 9.175 0.262 17918 3973 1 7 . 1 1 16 16 GLY C C 19 175.458 175.458 174.183 1.275 17918 3974 1 7 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.416 1.366 17918 3975 1 7 . 1 1 17 17 SER N N 20 120.550 120.550 114.661 5.889 17918 3976 1 7 . 1 1 17 17 SER HA H 20 3.839 3.839 3.899 -0.060 17918 3977 1 7 . 1 1 17 17 SER C C 20 174.702 174.702 174.847 -0.145 17918 3978 1 7 . 1 1 17 17 SER CA C 20 62.099 62.099 57.630 4.469 17918 3979 1 7 . 1 1 17 17 SER CB C 20 65.081 65.081 64.439 0.642 17918 3980 1 7 . 1 1 17 17 SER H H 20 7.236 7.236 7.115 0.121 17918 3981 1 7 . 1 1 18 18 ARG N N 21 123.998 123.998 118.606 5.392 17918 3982 1 7 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.133 -0.070 17918 3983 1 7 . 1 1 18 18 ARG C C 21 177.005 177.005 176.274 0.731 17918 3984 1 7 . 1 1 18 18 ARG CA C 21 59.595 59.595 57.737 1.857 17918 3985 1 7 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.607 -0.501 17918 3986 1 7 . 1 1 18 18 ARG H H 21 8.544 8.544 8.029 0.515 17918 3987 1 7 . 1 1 19 19 ASN N N 22 116.403 116.403 116.118 0.285 17918 3988 1 7 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.028 0.236 17918 3989 1 7 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.896 -0.076 17918 3990 1 7 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.911 0.585 17918 3991 1 7 . 1 1 19 19 ASN H H 22 8.412 8.412 7.869 0.543 17918 3992 1 7 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.625 -0.287 17918 3993 1 7 . 1 1 20 20 PRO C C 23 176.381 176.381 175.161 1.220 17918 3994 1 7 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.786 1.778 17918 3995 1 7 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.108 -0.798 17918 3996 1 7 . 1 1 21 21 VAL N N 24 126.905 126.905 115.338 11.567 17918 3997 1 7 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.458 -0.110 17918 3998 1 7 . 1 1 21 21 VAL C C 24 176.393 176.393 174.270 2.123 17918 3999 1 7 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.492 3.347 17918 4000 1 7 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.761 0.225 17918 4001 1 7 . 1 1 21 21 VAL H H 24 8.810 8.810 7.782 1.028 17918 4002 1 7 . 1 1 22 22 SER N N 25 121.164 121.164 117.349 3.815 17918 4003 1 7 . 1 1 22 22 SER HA H 25 4.296 4.296 4.821 -0.525 17918 4004 1 7 . 1 1 22 22 SER C C 25 178.264 178.264 175.151 3.113 17918 4005 1 7 . 1 1 22 22 SER CA C 25 59.682 59.682 56.088 3.594 17918 4006 1 7 . 1 1 22 22 SER CB C 25 64.553 64.553 66.061 -1.508 17918 4007 1 7 . 1 1 22 22 SER H H 25 8.657 8.657 8.008 0.649 17918 4008 1 7 . 1 1 23 23 ARG N N 26 129.578 129.578 125.441 4.137 17918 4009 1 7 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.043 0.300 17918 4010 1 7 . 1 1 23 23 ARG C C 26 176.541 176.541 177.465 -0.924 17918 4011 1 7 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.431 0.829 17918 4012 1 7 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.094 0.788 17918 4013 1 7 . 1 1 23 23 ARG H H 26 8.837 8.837 8.989 -0.152 17918 4014 1 7 . 1 1 24 24 ARG N N 27 119.514 119.514 115.881 3.633 17918 4015 1 7 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.243 -0.453 17918 4016 1 7 . 1 1 24 24 ARG C C 27 177.905 177.905 177.412 0.493 17918 4017 1 7 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.257 0.559 17918 4018 1 7 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.532 2.532 17918 4019 1 7 . 1 1 24 24 ARG H H 27 7.439 7.439 7.594 -0.155 17918 4020 1 7 . 1 1 25 25 THR N N 28 127.221 127.221 106.583 20.638 17918 4021 1 7 . 1 1 25 25 THR HA H 28 4.258 4.258 4.471 -0.213 17918 4022 1 7 . 1 1 25 25 THR C C 28 177.078 177.078 175.832 1.246 17918 4023 1 7 . 1 1 25 25 THR CA C 28 62.291 62.291 61.915 0.376 17918 4024 1 7 . 1 1 25 25 THR CB C 28 71.224 71.224 71.990 -0.767 17918 4025 1 7 . 1 1 25 25 THR H H 28 7.088 7.088 7.733 -0.645 17918 4026 1 7 . 1 1 26 26 GLY N N 29 110.483 110.483 112.297 -1.814 17918 4027 1 7 . 1 1 26 26 GLY C C 29 174.471 174.471 173.475 0.996 17918 4028 1 7 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.874 0.595 17918 4029 1 7 . 1 1 26 26 GLY H H 29 7.678 7.678 8.732 -1.054 17918 4030 1 7 . 1 1 27 27 ASP N N 30 120.302 120.302 119.020 1.282 17918 4031 1 7 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.863 -0.100 17918 4032 1 7 . 1 1 27 27 ASP C C 30 177.147 177.147 174.871 2.276 17918 4033 1 7 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.250 0.513 17918 4034 1 7 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.633 0.317 17918 4035 1 7 . 1 1 27 27 ASP H H 30 8.128 8.128 8.226 -0.098 17918 4036 1 7 . 1 1 28 28 SER N N 31 113.726 113.726 113.346 0.380 17918 4037 1 7 . 1 1 28 28 SER HA H 31 4.629 4.629 4.871 -0.242 17918 4038 1 7 . 1 1 28 28 SER C C 31 178.127 178.127 172.984 5.143 17918 4039 1 7 . 1 1 28 28 SER CA C 31 58.869 58.869 57.874 0.995 17918 4040 1 7 . 1 1 28 28 SER CB C 31 64.796 64.796 66.511 -1.715 17918 4041 1 7 . 1 1 28 28 SER H H 31 8.633 8.633 7.496 1.137 17918 4042 1 7 . 1 1 29 29 THR N N 32 120.655 120.655 115.770 4.885 17918 4043 1 7 . 1 1 29 29 THR HA H 32 4.589 4.589 4.519 0.070 17918 4044 1 7 . 1 1 29 29 THR C C 32 176.368 176.368 173.390 2.978 17918 4045 1 7 . 1 1 29 29 THR CA C 32 62.892 62.892 61.944 0.948 17918 4046 1 7 . 1 1 29 29 THR CB C 32 69.624 69.624 68.697 0.927 17918 4047 1 7 . 1 1 29 29 THR H H 32 8.397 8.397 8.982 -0.585 17918 4048 1 7 . 1 1 30 30 ALA N N 33 124.923 124.923 124.110 0.813 17918 4049 1 7 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.345 -0.550 17918 4050 1 7 . 1 1 30 30 ALA C C 33 177.708 177.708 176.411 1.297 17918 4051 1 7 . 1 1 30 30 ALA CA C 33 55.828 55.828 53.130 2.698 17918 4052 1 7 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.554 2.295 17918 4053 1 7 . 1 1 30 30 ALA H H 33 8.251 8.251 8.562 -0.311 17918 4054 1 7 . 1 1 31 31 ASP N N 34 114.016 114.016 118.960 -4.944 17918 4055 1 7 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.665 0.066 17918 4056 1 7 . 1 1 31 31 ASP C C 34 176.973 176.973 176.613 0.360 17918 4057 1 7 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.241 0.340 17918 4058 1 7 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.555 -0.655 17918 4059 1 7 . 1 1 31 31 ASP H H 34 8.398 8.398 7.727 0.671 17918 4060 1 7 . 1 1 32 32 VAL N N 35 123.637 123.637 121.405 2.232 17918 4061 1 7 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.299 -0.039 17918 4062 1 7 . 1 1 32 32 VAL C C 35 177.725 177.725 174.844 2.881 17918 4063 1 7 . 1 1 32 32 VAL CA C 35 63.492 63.492 61.197 2.295 17918 4064 1 7 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.691 0.066 17918 4065 1 7 . 1 1 32 32 VAL H H 35 7.323 7.323 7.480 -0.157 17918 4066 1 7 . 1 1 33 33 THR N N 36 121.552 121.552 119.203 2.349 17918 4067 1 7 . 1 1 33 33 THR HA H 36 4.642 4.642 4.671 -0.029 17918 4068 1 7 . 1 1 33 33 THR C C 36 176.268 176.268 175.828 0.440 17918 4069 1 7 . 1 1 33 33 THR CA C 36 62.597 62.597 59.439 3.158 17918 4070 1 7 . 1 1 33 33 THR CB C 36 72.388 72.388 71.282 1.106 17918 4071 1 7 . 1 1 33 33 THR H H 36 9.078 9.078 8.042 1.036 17918 4072 1 7 . 1 1 34 34 TYR N N 37 122.486 122.486 119.780 2.706 17918 4073 1 7 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.653 -0.219 17918 4074 1 7 . 1 1 34 34 TYR C C 37 177.216 177.216 177.086 0.130 17918 4075 1 7 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.679 2.362 17918 4076 1 7 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.096 3.398 17918 4077 1 7 . 1 1 34 34 TYR H H 37 9.247 9.247 8.008 1.239 17918 4078 1 7 . 1 1 35 35 GLU N N 38 116.626 116.626 121.079 -4.453 17918 4079 1 7 . 1 1 35 35 GLU HA H 38 3.679 3.679 4.056 -0.377 17918 4080 1 7 . 1 1 35 35 GLU C C 38 180.453 180.453 178.619 1.834 17918 4081 1 7 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.501 1.944 17918 4082 1 7 . 1 1 35 35 GLU CB C 38 30.159 30.159 29.099 1.060 17918 4083 1 7 . 1 1 35 35 GLU H H 38 8.782 8.782 7.820 0.962 17918 4084 1 7 . 1 1 36 36 ASP N N 39 120.670 120.670 120.046 0.624 17918 4085 1 7 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.359 0.013 17918 4086 1 7 . 1 1 36 36 ASP C C 39 180.015 180.015 178.507 1.508 17918 4087 1 7 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.353 0.866 17918 4088 1 7 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.642 0.592 17918 4089 1 7 . 1 1 36 36 ASP H H 39 7.916 7.916 8.120 -0.204 17918 4090 1 7 . 1 1 37 37 ALA N N 40 126.126 126.126 123.118 3.008 17918 4091 1 7 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.118 -0.278 17918 4092 1 7 . 1 1 37 37 ALA C C 40 179.923 179.923 179.400 0.523 17918 4093 1 7 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.169 1.176 17918 4094 1 7 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.667 1.186 17918 4095 1 7 . 1 1 37 37 ALA H H 40 8.318 8.318 8.180 0.138 17918 4096 1 7 . 1 1 38 38 ILE N N 41 118.850 118.850 119.305 -0.455 17918 4097 1 7 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.589 -0.121 17918 4098 1 7 . 1 1 38 38 ILE C C 41 179.106 179.106 177.877 1.229 17918 4099 1 7 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.012 -0.633 17918 4100 1 7 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.807 -0.516 17918 4101 1 7 . 1 1 38 38 ILE H H 41 8.151 8.151 8.426 -0.275 17918 4102 1 7 . 1 1 39 39 LYS N N 42 120.585 120.585 119.699 0.886 17918 4103 1 7 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.859 0.125 17918 4104 1 7 . 1 1 39 39 LYS C C 42 180.883 180.883 178.411 2.472 17918 4105 1 7 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.130 0.755 17918 4106 1 7 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.067 1.474 17918 4107 1 7 . 1 1 39 39 LYS H H 42 7.519 7.519 8.339 -0.820 17918 4108 1 7 . 1 1 40 40 GLU N N 43 121.167 121.167 119.731 1.436 17918 4109 1 7 . 1 1 40 40 GLU HA H 43 4.316 4.316 3.995 0.321 17918 4110 1 7 . 1 1 40 40 GLU C C 43 179.969 179.969 178.949 1.020 17918 4111 1 7 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.312 0.694 17918 4112 1 7 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.655 1.085 17918 4113 1 7 . 1 1 40 40 GLU H H 43 7.911 7.911 7.774 0.137 17918 4114 1 7 . 1 1 41 41 LEU N N 44 121.081 121.081 120.162 0.919 17918 4115 1 7 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.212 -0.021 17918 4116 1 7 . 1 1 41 41 LEU C C 44 180.778 180.778 179.784 0.994 17918 4117 1 7 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.185 0.748 17918 4118 1 7 . 1 1 41 41 LEU CB C 44 42.885 42.885 40.826 2.059 17918 4119 1 7 . 1 1 41 41 LEU H H 44 8.424 8.424 8.003 0.421 17918 4120 1 7 . 1 1 42 42 GLN N N 45 121.129 121.129 118.305 2.824 17918 4121 1 7 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.207 -0.178 17918 4122 1 7 . 1 1 42 42 GLN C C 45 179.911 179.911 178.775 1.136 17918 4123 1 7 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.517 1.841 17918 4124 1 7 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.666 0.356 17918 4125 1 7 . 1 1 42 42 GLN H H 45 8.971 8.971 8.246 0.725 17918 4126 1 7 . 1 1 43 43 LYS N N 46 121.830 121.830 119.482 2.348 17918 4127 1 7 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.099 -0.092 17918 4128 1 7 . 1 1 43 43 LYS C C 46 180.898 180.898 178.698 2.200 17918 4129 1 7 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.201 1.443 17918 4130 1 7 . 1 1 43 43 LYS CB C 46 32.464 32.464 31.713 0.751 17918 4131 1 7 . 1 1 43 43 LYS H H 46 7.769 7.769 7.638 0.131 17918 4132 1 7 . 1 1 44 44 TRP N N 47 119.737 119.737 121.786 -2.049 17918 4133 1 7 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.270 -0.314 17918 4134 1 7 . 1 1 44 44 TRP C C 47 179.173 179.173 178.373 0.800 17918 4135 1 7 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.972 3.074 17918 4136 1 7 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.685 -0.070 17918 4137 1 7 . 1 1 44 44 TRP H H 47 8.002 8.002 8.472 -0.470 17918 4138 1 7 . 1 1 45 45 SER N N 48 114.940 114.940 113.510 1.430 17918 4139 1 7 . 1 1 45 45 SER HA H 48 4.072 4.072 4.002 0.070 17918 4140 1 7 . 1 1 45 45 SER C C 48 178.249 178.249 176.980 1.269 17918 4141 1 7 . 1 1 45 45 SER CA C 48 63.707 63.707 61.374 2.333 17918 4142 1 7 . 1 1 45 45 SER H H 48 8.901 8.901 8.327 0.574 17918 4143 1 7 . 1 1 46 46 GLN N N 49 121.411 121.411 122.511 -1.100 17918 4144 1 7 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.051 0.146 17918 4145 1 7 . 1 1 46 46 GLN C C 49 179.809 179.809 177.872 1.937 17918 4146 1 7 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.931 0.928 17918 4147 1 7 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.692 0.501 17918 4148 1 7 . 1 1 46 46 GLN H H 49 7.950 7.950 7.695 0.255 17918 4149 1 7 . 1 1 47 47 ARG N N 50 121.809 121.809 119.812 1.997 17918 4150 1 7 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.312 -0.261 17918 4151 1 7 . 1 1 47 47 ARG C C 50 179.464 179.464 179.287 0.177 17918 4152 1 7 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.546 1.501 17918 4153 1 7 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.371 1.622 17918 4154 1 7 . 1 1 47 47 ARG H H 50 7.834 7.834 7.858 -0.024 17918 4155 1 7 . 1 1 48 48 ILE N N 51 120.569 120.569 118.757 1.812 17918 4156 1 7 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.166 0.322 17918 4157 1 7 . 1 1 48 48 ILE C C 51 181.848 181.848 178.411 3.437 17918 4158 1 7 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.800 -0.237 17918 4159 1 7 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.917 2.776 17918 4160 1 7 . 1 1 48 48 ILE H H 51 8.127 8.127 8.720 -0.593 17918 4161 1 7 . 1 1 49 49 ALA N N 52 124.538 124.538 120.977 3.561 17918 4162 1 7 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.158 0.051 17918 4163 1 7 . 1 1 49 49 ALA C C 52 181.120 181.120 178.827 2.293 17918 4164 1 7 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.327 2.092 17918 4165 1 7 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.025 0.391 17918 4166 1 7 . 1 1 49 49 ALA H H 52 8.526 8.526 7.568 0.958 17918 4167 1 7 . 1 1 50 50 SER N N 53 111.097 111.097 113.870 -2.773 17918 4168 1 7 . 1 1 50 50 SER HA H 53 4.428 4.428 4.314 0.114 17918 4169 1 7 . 1 1 50 50 SER C C 53 176.608 176.608 176.239 0.369 17918 4170 1 7 . 1 1 50 50 SER CA C 53 60.248 60.248 59.574 0.674 17918 4171 1 7 . 1 1 50 50 SER CB C 53 65.098 65.098 64.459 0.639 17918 4172 1 7 . 1 1 50 50 SER H H 53 8.124 8.124 8.438 -0.314 17918 4173 1 7 . 1 1 51 51 GLY N N 54 110.581 110.581 109.245 1.336 17918 4174 1 7 . 1 1 51 51 GLY C C 54 175.699 175.699 175.098 0.601 17918 4175 1 7 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.812 1.619 17918 4176 1 7 . 1 1 51 51 GLY H H 54 7.904 7.904 8.270 -0.366 17918 4177 1 7 . 1 1 52 52 GLU N N 55 122.231 122.231 120.896 1.335 17918 4178 1 7 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.099 -0.096 17918 4179 1 7 . 1 1 52 52 GLU C C 55 177.647 177.647 176.896 0.751 17918 4180 1 7 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.613 1.475 17918 4181 1 7 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.236 1.387 17918 4182 1 7 . 1 1 52 52 GLU H H 55 8.204 8.204 7.989 0.215 17918 4183 1 7 . 1 1 53 53 VAL N N 56 111.615 111.615 111.040 0.575 17918 4184 1 7 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.614 -0.035 17918 4185 1 7 . 1 1 53 53 VAL C C 56 175.225 175.225 174.419 0.806 17918 4186 1 7 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.631 0.053 17918 4187 1 7 . 1 1 53 53 VAL CB C 56 36.533 36.533 36.043 0.490 17918 4188 1 7 . 1 1 53 53 VAL H H 56 7.274 7.274 7.361 -0.087 17918 4189 1 7 . 1 1 54 54 SER N N 57 119.532 119.532 113.381 6.151 17918 4190 1 7 . 1 1 54 54 SER HA H 57 4.692 4.692 4.820 -0.128 17918 4191 1 7 . 1 1 54 54 SER C C 57 176.092 176.092 175.414 0.678 17918 4192 1 7 . 1 1 54 54 SER CA C 57 58.189 58.189 56.397 1.792 17918 4193 1 7 . 1 1 54 54 SER CB C 57 66.447 66.447 65.320 1.127 17918 4194 1 7 . 1 1 54 54 SER H H 57 8.637 8.637 8.236 0.401 17918 4195 1 7 . 1 1 55 55 PHE N N 58 123.609 123.609 123.205 0.404 17918 4196 1 7 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.092 -0.438 17918 4197 1 7 . 1 1 55 55 PHE C C 58 177.469 177.469 176.879 0.590 17918 4198 1 7 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.586 2.271 17918 4199 1 7 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.614 2.352 17918 4200 1 7 . 1 1 55 55 PHE H H 58 9.326 9.326 9.217 0.109 17918 4201 1 7 . 1 1 56 56 GLU N N 59 116.994 116.994 118.827 -1.833 17918 4202 1 7 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.506 -0.301 17918 4203 1 7 . 1 1 56 56 GLU C C 59 180.852 180.852 179.386 1.466 17918 4204 1 7 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.105 1.262 17918 4205 1 7 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.898 0.932 17918 4206 1 7 . 1 1 56 56 GLU H H 59 9.464 9.464 8.898 0.566 17918 4207 1 7 . 1 1 57 57 GLU N N 60 122.452 122.452 118.701 3.751 17918 4208 1 7 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.074 -0.051 17918 4209 1 7 . 1 1 57 57 GLU C C 60 179.899 179.899 178.707 1.192 17918 4210 1 7 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.677 1.336 17918 4211 1 7 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.226 1.959 17918 4212 1 7 . 1 1 57 57 GLU H H 60 7.978 7.978 7.584 0.394 17918 4213 1 7 . 1 1 58 58 ALA N N 61 123.053 123.053 121.569 1.484 17918 4214 1 7 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.396 0.185 17918 4215 1 7 . 1 1 58 58 ALA C C 61 179.854 179.854 179.362 0.492 17918 4216 1 7 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.391 1.490 17918 4217 1 7 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.562 2.498 17918 4218 1 7 . 1 1 58 58 ALA H H 61 8.157 8.157 7.496 0.661 17918 4219 1 7 . 1 1 59 59 ALA N N 62 120.029 120.029 120.677 -0.648 17918 4220 1 7 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.928 -0.376 17918 4221 1 7 . 1 1 59 59 ALA C C 62 181.080 181.080 180.141 0.939 17918 4222 1 7 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.979 1.439 17918 4223 1 7 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.397 -0.355 17918 4224 1 7 . 1 1 59 59 ALA H H 62 8.540 8.540 8.466 0.074 17918 4225 1 7 . 1 1 60 60 SER N N 63 113.010 113.010 112.134 0.876 17918 4226 1 7 . 1 1 60 60 SER HA H 63 4.766 4.766 4.373 0.393 17918 4227 1 7 . 1 1 60 60 SER C C 63 176.299 176.299 175.735 0.564 17918 4228 1 7 . 1 1 60 60 SER CA C 63 62.414 62.414 61.337 1.077 17918 4229 1 7 . 1 1 60 60 SER CB C 63 64.687 64.687 63.372 1.315 17918 4230 1 7 . 1 1 60 60 SER H H 63 8.013 8.013 7.813 0.200 17918 4231 1 7 . 1 1 61 61 GLN N N 64 115.830 115.830 116.581 -0.751 17918 4232 1 7 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.365 -0.235 17918 4233 1 7 . 1 1 61 61 GLN C C 64 178.579 178.579 177.131 1.448 17918 4234 1 7 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.533 0.833 17918 4235 1 7 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.588 1.788 17918 4236 1 7 . 1 1 61 61 GLN H H 64 7.496 7.496 7.573 -0.077 17918 4237 1 7 . 1 1 62 62 ARG N N 65 115.716 115.716 117.229 -1.513 17918 4238 1 7 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.495 -0.034 17918 4239 1 7 . 1 1 62 62 ARG C C 65 176.601 176.601 176.433 0.168 17918 4240 1 7 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.188 -2.557 17918 4241 1 7 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.058 1.598 17918 4242 1 7 . 1 1 62 62 ARG H H 65 7.693 7.693 8.478 -0.785 17918 4243 1 7 . 1 1 63 63 SER N N 66 114.680 114.680 115.140 -0.460 17918 4244 1 7 . 1 1 63 63 SER HA H 66 4.222 4.222 4.695 -0.473 17918 4245 1 7 . 1 1 63 63 SER C C 66 177.034 177.034 175.119 1.915 17918 4246 1 7 . 1 1 63 63 SER CA C 66 59.677 59.677 58.380 1.297 17918 4247 1 7 . 1 1 63 63 SER CB C 66 65.786 65.786 63.494 2.292 17918 4248 1 7 . 1 1 63 63 SER H H 66 8.528 8.528 7.686 0.842 17918 4249 1 7 . 1 1 64 64 ASP N N 67 123.612 123.612 126.099 -2.487 17918 4250 1 7 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.490 0.409 17918 4251 1 7 . 1 1 64 64 ASP C C 67 176.674 176.674 176.717 -0.043 17918 4252 1 7 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.477 -0.485 17918 4253 1 7 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.603 2.054 17918 4254 1 7 . 1 1 64 64 ASP H H 67 9.645 9.645 8.856 0.789 17918 4255 1 7 . 1 1 65 65 CYS N N 68 124.716 124.716 116.390 8.326 17918 4256 1 7 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.642 -0.197 17918 4257 1 7 . 1 1 65 65 CYS C C 68 177.747 177.747 177.331 0.416 17918 4258 1 7 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.849 1.269 17918 4259 1 7 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.763 0.696 17918 4260 1 7 . 1 1 65 65 CYS H H 68 7.903 7.903 7.574 0.329 17918 4261 1 7 . 1 1 66 66 GLY N N 69 118.503 118.503 110.685 7.818 17918 4262 1 7 . 1 1 66 66 GLY C C 69 175.872 175.872 175.434 0.438 17918 4263 1 7 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.253 1.689 17918 4264 1 7 . 1 1 66 66 GLY H H 69 8.811 8.811 9.083 -0.272 17918 4265 1 7 . 1 1 67 67 SER N N 70 120.316 120.316 117.452 2.864 17918 4266 1 7 . 1 1 67 67 SER HA H 70 4.245 4.245 4.060 0.185 17918 4267 1 7 . 1 1 67 67 SER C C 70 178.404 178.404 176.010 2.394 17918 4268 1 7 . 1 1 67 67 SER CA C 70 61.611 61.611 60.412 1.199 17918 4269 1 7 . 1 1 67 67 SER CB C 70 64.297 64.297 62.264 2.033 17918 4270 1 7 . 1 1 67 67 SER H H 70 9.556 9.556 8.279 1.277 17918 4271 1 7 . 1 1 68 68 TYR N N 71 129.376 129.376 121.894 7.482 17918 4272 1 7 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.384 -0.353 17918 4273 1 7 . 1 1 68 68 TYR C C 71 177.613 177.613 177.487 0.126 17918 4274 1 7 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.751 2.641 17918 4275 1 7 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.679 0.117 17918 4276 1 7 . 1 1 68 68 TYR H H 71 8.584 8.584 8.334 0.250 17918 4277 1 7 . 1 1 69 69 ALA N N 72 122.673 122.673 120.888 1.785 17918 4278 1 7 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.988 -0.343 17918 4279 1 7 . 1 1 69 69 ALA C C 72 179.011 179.011 178.106 0.905 17918 4280 1 7 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.561 0.729 17918 4281 1 7 . 1 1 69 69 ALA CB C 72 19.121 19.121 17.989 1.132 17918 4282 1 7 . 1 1 69 69 ALA H H 72 5.645 5.645 7.117 -1.472 17918 4283 1 7 . 1 1 70 70 SER N N 73 114.496 114.496 112.958 1.538 17918 4284 1 7 . 1 1 70 70 SER HA H 73 4.782 4.782 4.480 0.302 17918 4285 1 7 . 1 1 70 70 SER C C 73 177.320 177.320 174.962 2.358 17918 4286 1 7 . 1 1 70 70 SER CA C 73 57.287 57.287 58.412 -1.125 17918 4287 1 7 . 1 1 70 70 SER CB C 73 64.538 64.538 63.995 0.543 17918 4288 1 7 . 1 1 70 70 SER H H 73 7.654 7.654 7.763 -0.109 17918 4289 1 7 . 1 1 71 71 GLY N N 74 112.182 112.182 108.945 3.237 17918 4290 1 7 . 1 1 71 71 GLY C C 74 174.379 174.379 173.826 0.553 17918 4291 1 7 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.834 3.600 17918 4292 1 7 . 1 1 71 71 GLY H H 74 7.933 7.933 7.671 0.262 17918 4293 1 7 . 1 1 72 72 GLY N N 75 126.463 126.463 108.117 18.346 17918 4294 1 7 . 1 1 72 72 GLY C C 75 175.121 175.121 172.227 2.894 17918 4295 1 7 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.273 0.799 17918 4296 1 7 . 1 1 72 72 GLY H H 75 7.994 7.994 8.505 -0.511 17918 4297 1 7 . 1 1 73 73 ASP N N 76 118.815 118.815 120.896 -2.081 17918 4298 1 7 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.477 -0.063 17918 4299 1 7 . 1 1 73 73 ASP C C 76 177.362 177.362 174.555 2.807 17918 4300 1 7 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.747 2.376 17918 4301 1 7 . 1 1 73 73 ASP CB C 76 42.451 42.451 43.039 -0.588 17918 4302 1 7 . 1 1 73 73 ASP H H 76 6.956 6.956 7.679 -0.723 17918 4303 1 7 . 1 1 74 74 LEU N N 77 128.720 128.720 122.993 5.727 17918 4304 1 7 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.501 -0.146 17918 4305 1 7 . 1 1 74 74 LEU C C 77 179.412 179.412 177.458 1.954 17918 4306 1 7 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.587 2.547 17918 4307 1 7 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.184 1.659 17918 4308 1 7 . 1 1 74 74 LEU H H 77 8.694 8.694 8.443 0.251 17918 4309 1 7 . 1 1 75 75 GLY N N 78 109.695 109.695 108.130 1.565 17918 4310 1 7 . 1 1 75 75 GLY C C 78 173.473 173.473 174.855 -1.382 17918 4311 1 7 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.293 0.053 17918 4312 1 7 . 1 1 75 75 GLY H H 78 8.682 8.682 7.928 0.754 17918 4313 1 7 . 1 1 76 76 PHE N N 79 115.646 115.646 116.435 -0.789 17918 4314 1 7 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.882 1.337 17918 4315 1 7 . 1 1 76 76 PHE C C 79 178.904 178.904 174.551 4.353 17918 4316 1 7 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.715 -0.259 17918 4317 1 7 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.282 3.535 17918 4318 1 7 . 1 1 76 76 PHE H H 79 8.203 8.203 7.541 0.662 17918 4319 1 7 . 1 1 77 77 PHE N N 80 119.508 119.508 117.620 1.888 17918 4320 1 7 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.896 0.241 17918 4321 1 7 . 1 1 77 77 PHE C C 80 174.331 174.331 173.164 1.167 17918 4322 1 7 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.780 0.116 17918 4323 1 7 . 1 1 77 77 PHE CB C 80 42.463 42.463 40.990 1.473 17918 4324 1 7 . 1 1 77 77 PHE H H 80 9.112 9.112 8.768 0.344 17918 4325 1 7 . 1 1 78 78 SER N N 81 116.578 116.578 115.727 0.851 17918 4326 1 7 . 1 1 78 78 SER HA H 81 4.957 4.957 5.170 -0.213 17918 4327 1 7 . 1 1 78 78 SER C C 81 176.191 176.191 176.063 0.128 17918 4328 1 7 . 1 1 78 78 SER CA C 81 58.065 58.065 56.859 1.206 17918 4329 1 7 . 1 1 78 78 SER CB C 81 66.514 66.514 66.228 0.286 17918 4330 1 7 . 1 1 78 78 SER H H 81 8.930 8.930 9.380 -0.450 17918 4331 1 7 . 1 1 79 79 SER N N 82 118.715 118.715 120.325 -1.610 17918 4332 1 7 . 1 1 79 79 SER HA H 82 4.420 4.420 4.405 0.015 17918 4333 1 7 . 1 1 79 79 SER C C 82 176.946 176.946 176.528 0.418 17918 4334 1 7 . 1 1 79 79 SER CA C 82 60.988 60.988 61.301 -0.313 17918 4335 1 7 . 1 1 79 79 SER CB C 82 64.242 64.242 63.110 1.132 17918 4336 1 7 . 1 1 79 79 SER H H 82 8.751 8.751 9.653 -0.902 17918 4337 1 7 . 1 1 80 80 GLY N N 83 117.069 117.069 109.255 7.814 17918 4338 1 7 . 1 1 80 80 GLY C C 83 175.628 175.628 173.685 1.943 17918 4339 1 7 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.959 1.673 17918 4340 1 7 . 1 1 80 80 GLY H H 83 10.009 10.009 8.420 1.589 17918 4341 1 7 . 1 1 81 81 GLU N N 84 120.322 120.322 120.235 0.087 17918 4342 1 7 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.393 -0.162 17918 4343 1 7 . 1 1 81 81 GLU C C 84 178.456 178.456 176.111 2.345 17918 4344 1 7 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.124 3.603 17918 4345 1 7 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.312 2.409 17918 4346 1 7 . 1 1 81 81 GLU H H 84 7.812 7.812 8.150 -0.338 17918 4347 1 7 . 1 1 82 82 MET N N 85 117.156 117.156 118.260 -1.104 17918 4348 1 7 . 1 1 82 82 MET HA H 85 4.569 4.569 4.531 0.038 17918 4349 1 7 . 1 1 82 82 MET C C 85 176.991 176.991 175.782 1.209 17918 4350 1 7 . 1 1 82 82 MET CA C 85 53.174 53.174 53.587 -0.413 17918 4351 1 7 . 1 1 82 82 MET CB C 85 34.386 34.386 33.097 1.289 17918 4352 1 7 . 1 1 82 82 MET H H 85 8.601 8.601 8.166 0.435 17918 4353 1 7 . 1 1 83 83 MET N N 86 119.413 119.413 119.444 -0.031 17918 4354 1 7 . 1 1 83 83 MET HA H 86 4.273 4.273 4.540 -0.267 17918 4355 1 7 . 1 1 83 83 MET C C 86 178.979 178.979 177.455 1.524 17918 4356 1 7 . 1 1 83 83 MET CA C 86 58.320 58.320 53.814 4.506 17918 4357 1 7 . 1 1 83 83 MET CB C 86 34.339 34.339 33.008 1.331 17918 4358 1 7 . 1 1 83 83 MET H H 86 8.413 8.413 8.166 0.247 17918 4359 1 7 . 1 1 84 84 LYS N N 87 126.834 126.834 124.110 2.724 17918 4360 1 7 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.323 0.417 17918 4361 1 7 . 1 1 84 84 LYS C C 87 175.267 175.267 176.690 -1.423 17918 4362 1 7 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.459 1.002 17918 4363 1 7 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.151 1.284 17918 4364 1 7 . 1 1 84 84 LYS H H 87 9.099 9.099 8.880 0.219 17918 4365 1 7 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.299 0.166 17918 4366 1 7 . 1 1 85 85 PRO C C 88 180.671 180.671 178.486 2.185 17918 4367 1 7 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.541 1.202 17918 4368 1 7 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.483 0.773 17918 4369 1 7 . 1 1 86 86 PHE N N 89 116.583 116.583 120.038 -3.455 17918 4370 1 7 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.094 -0.447 17918 4371 1 7 . 1 1 86 86 PHE C C 89 177.086 177.086 176.644 0.442 17918 4372 1 7 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.616 -0.132 17918 4373 1 7 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.153 2.357 17918 4374 1 7 . 1 1 86 86 PHE H H 89 7.102 7.102 7.787 -0.685 17918 4375 1 7 . 1 1 87 87 GLU N N 90 120.506 120.506 118.521 1.985 17918 4376 1 7 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.849 -0.125 17918 4377 1 7 . 1 1 87 87 GLU C C 90 179.102 179.102 178.780 0.322 17918 4378 1 7 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.504 2.353 17918 4379 1 7 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.191 1.593 17918 4380 1 7 . 1 1 87 87 GLU H H 90 8.126 8.126 8.722 -0.596 17918 4381 1 7 . 1 1 88 88 ASP N N 91 118.355 118.355 119.875 -1.520 17918 4382 1 7 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.356 -0.121 17918 4383 1 7 . 1 1 88 88 ASP C C 91 180.067 180.067 178.117 1.950 17918 4384 1 7 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.228 1.076 17918 4385 1 7 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.874 0.152 17918 4386 1 7 . 1 1 88 88 ASP H H 91 9.121 9.121 8.161 0.960 17918 4387 1 7 . 1 1 89 89 ALA N N 92 121.718 121.718 121.473 0.245 17918 4388 1 7 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.123 -0.051 17918 4389 1 7 . 1 1 89 89 ALA C C 92 181.131 181.131 179.594 1.537 17918 4390 1 7 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.806 1.039 17918 4391 1 7 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.391 1.708 17918 4392 1 7 . 1 1 89 89 ALA H H 92 7.154 7.154 7.465 -0.311 17918 4393 1 7 . 1 1 90 90 VAL N N 93 117.315 117.315 117.238 0.077 17918 4394 1 7 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.609 -0.194 17918 4395 1 7 . 1 1 90 90 VAL C C 93 178.908 178.908 178.421 0.487 17918 4396 1 7 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.587 2.167 17918 4397 1 7 . 1 1 90 90 VAL CB C 93 32.349 32.349 30.884 1.465 17918 4398 1 7 . 1 1 90 90 VAL H H 93 7.797 7.797 7.544 0.253 17918 4399 1 7 . 1 1 91 91 ARG N N 94 116.826 116.826 118.250 -1.424 17918 4400 1 7 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.190 -0.336 17918 4401 1 7 . 1 1 91 91 ARG C C 94 177.858 177.858 177.732 0.126 17918 4402 1 7 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.306 2.159 17918 4403 1 7 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.614 1.474 17918 4404 1 7 . 1 1 91 91 ARG H H 94 8.154 8.154 7.699 0.455 17918 4405 1 7 . 1 1 92 92 ALA N N 95 118.849 118.849 121.329 -2.480 17918 4406 1 7 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.211 0.082 17918 4407 1 7 . 1 1 92 92 ALA C C 95 178.452 178.452 177.609 0.843 17918 4408 1 7 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.650 -0.173 17918 4409 1 7 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.093 1.054 17918 4410 1 7 . 1 1 92 92 ALA H H 95 7.067 7.067 7.491 -0.424 17918 4411 1 7 . 1 1 93 93 LEU N N 96 120.871 120.871 113.746 7.125 17918 4412 1 7 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.639 -0.125 17918 4413 1 7 . 1 1 93 93 LEU C C 96 179.045 179.045 175.565 3.480 17918 4414 1 7 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.204 1.959 17918 4415 1 7 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.351 1.581 17918 4416 1 7 . 1 1 93 93 LEU H H 96 7.396 7.396 7.232 0.164 17918 4417 1 7 . 1 1 94 94 LYS N N 97 121.289 121.289 121.159 0.130 17918 4418 1 7 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.514 -0.106 17918 4419 1 7 . 1 1 94 94 LYS C C 97 178.629 178.629 176.582 2.047 17918 4420 1 7 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.274 2.020 17918 4421 1 7 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.057 -0.662 17918 4422 1 7 . 1 1 94 94 LYS H H 97 8.274 8.274 9.147 -0.873 17918 4423 1 7 . 1 1 95 95 ILE N N 98 122.343 122.343 124.159 -1.816 17918 4424 1 7 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.696 -0.631 17918 4425 1 7 . 1 1 95 95 ILE C C 98 178.406 178.406 176.794 1.612 17918 4426 1 7 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.352 2.942 17918 4427 1 7 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.825 1.337 17918 4428 1 7 . 1 1 95 95 ILE H H 98 8.396 8.396 8.545 -0.149 17918 4429 1 7 . 1 1 96 96 GLY N N 99 118.074 118.074 116.150 1.924 17918 4430 1 7 . 1 1 96 96 GLY C C 99 174.605 174.605 174.205 0.400 17918 4431 1 7 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.467 1.706 17918 4432 1 7 . 1 1 96 96 GLY H H 99 8.988 8.988 8.749 0.239 17918 4433 1 7 . 1 1 97 97 ASP N N 100 121.984 121.984 122.438 -0.454 17918 4434 1 7 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.822 -0.027 17918 4435 1 7 . 1 1 97 97 ASP C C 100 175.344 175.344 175.131 0.213 17918 4436 1 7 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.088 0.949 17918 4437 1 7 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.553 1.400 17918 4438 1 7 . 1 1 97 97 ASP H H 100 7.978 7.978 8.579 -0.601 17918 4439 1 7 . 1 1 98 98 ILE N N 101 117.483 117.483 119.383 -1.900 17918 4440 1 7 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.729 0.431 17918 4441 1 7 . 1 1 98 98 ILE C C 101 178.147 178.147 175.945 2.202 17918 4442 1 7 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.916 0.420 17918 4443 1 7 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.822 0.471 17918 4444 1 7 . 1 1 98 98 ILE H H 101 8.048 8.048 8.195 -0.147 17918 4445 1 7 . 1 1 99 99 SER N N 102 126.778 126.778 124.588 2.190 17918 4446 1 7 . 1 1 99 99 SER HA H 102 4.526 4.526 4.750 -0.224 17918 4447 1 7 . 1 1 99 99 SER C C 102 172.735 172.735 173.651 -0.916 17918 4448 1 7 . 1 1 99 99 SER CA C 102 59.441 59.441 57.125 2.316 17918 4449 1 7 . 1 1 99 99 SER CB C 102 64.572 64.572 63.389 1.183 17918 4450 1 7 . 1 1 99 99 SER H H 102 9.722 9.722 9.063 0.659 17918 4451 1 7 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.498 0.321 17918 4452 1 7 . 1 1 100 100 PRO C C 103 176.647 176.647 176.840 -0.193 17918 4453 1 7 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.555 0.573 17918 4454 1 7 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.498 0.941 17918 4455 1 7 . 1 1 101 101 ILE N N 104 120.048 120.048 118.905 1.143 17918 4456 1 7 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.262 0.045 17918 4457 1 7 . 1 1 101 101 ILE C C 104 178.021 178.021 176.477 1.544 17918 4458 1 7 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.836 3.305 17918 4459 1 7 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.964 1.006 17918 4460 1 7 . 1 1 101 101 ILE H H 104 8.199 8.199 8.210 -0.011 17918 4461 1 7 . 1 1 102 102 VAL N N 105 130.676 130.676 128.753 1.923 17918 4462 1 7 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.353 0.004 17918 4463 1 7 . 1 1 102 102 VAL C C 105 175.118 175.118 174.724 0.394 17918 4464 1 7 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.209 0.598 17918 4465 1 7 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.525 3.858 17918 4466 1 7 . 1 1 102 102 VAL H H 105 9.285 9.285 8.939 0.346 17918 4467 1 7 . 1 1 103 103 GLN N N 106 128.464 128.464 128.431 0.033 17918 4468 1 7 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.731 0.718 17918 4469 1 7 . 1 1 103 103 GLN C C 106 176.704 176.704 175.920 0.784 17918 4470 1 7 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.621 -0.561 17918 4471 1 7 . 1 1 103 103 GLN CB C 106 31.032 31.032 28.716 2.316 17918 4472 1 7 . 1 1 103 103 GLN H H 106 8.900 8.900 8.830 0.070 17918 4473 1 7 . 1 1 104 104 THR N N 107 116.680 116.680 119.878 -3.198 17918 4474 1 7 . 1 1 104 104 THR HA H 107 4.978 4.978 4.596 0.382 17918 4475 1 7 . 1 1 104 104 THR C C 107 177.189 177.189 174.370 2.819 17918 4476 1 7 . 1 1 104 104 THR CA C 107 61.836 61.836 60.327 1.509 17918 4477 1 7 . 1 1 104 104 THR CB C 107 73.663 73.663 70.093 3.570 17918 4478 1 7 . 1 1 104 104 THR H H 107 9.275 9.275 8.940 0.335 17918 4479 1 7 . 1 1 105 105 ASP N N 108 119.651 119.651 119.765 -0.114 17918 4480 1 7 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.385 0.193 17918 4481 1 7 . 1 1 105 105 ASP C C 108 179.034 179.034 177.089 1.945 17918 4482 1 7 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.952 1.003 17918 4483 1 7 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.304 1.712 17918 4484 1 7 . 1 1 105 105 ASP H H 108 8.945 8.945 8.674 0.271 17918 4485 1 7 . 1 1 106 106 SER N N 109 114.257 114.257 115.220 -0.963 17918 4486 1 7 . 1 1 106 106 SER HA H 109 4.642 4.642 4.317 0.325 17918 4487 1 7 . 1 1 106 106 SER C C 109 177.224 177.224 174.682 2.542 17918 4488 1 7 . 1 1 106 106 SER CA C 109 62.788 62.788 60.029 2.759 17918 4489 1 7 . 1 1 106 106 SER CB C 109 64.767 64.767 63.540 1.227 17918 4490 1 7 . 1 1 106 106 SER H H 109 8.968 8.968 8.422 0.546 17918 4491 1 7 . 1 1 107 107 GLY N N 110 111.288 111.288 107.077 4.211 17918 4492 1 7 . 1 1 107 107 GLY C C 110 169.468 169.468 172.481 -3.013 17918 4493 1 7 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.131 1.567 17918 4494 1 7 . 1 1 107 107 GLY H H 110 7.829 7.829 7.730 0.099 17918 4495 1 7 . 1 1 108 108 LEU N N 111 122.506 122.506 121.356 1.150 17918 4496 1 7 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.031 0.340 17918 4497 1 7 . 1 1 108 108 LEU C C 111 175.948 175.948 175.557 0.391 17918 4498 1 7 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.085 0.191 17918 4499 1 7 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.510 1.265 17918 4500 1 7 . 1 1 108 108 LEU H H 111 8.143 8.143 8.818 -0.675 17918 4501 1 7 . 1 1 109 109 HIS N N 112 119.518 119.518 122.940 -3.422 17918 4502 1 7 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.850 0.245 17918 4503 1 7 . 1 1 109 109 HIS C C 112 179.186 179.186 174.847 4.339 17918 4504 1 7 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.658 0.722 17918 4505 1 7 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.264 0.574 17918 4506 1 7 . 1 1 109 109 HIS H H 112 9.764 9.764 9.143 0.621 17918 4507 1 7 . 1 1 110 110 ILE N N 113 113.128 113.128 119.656 -6.528 17918 4508 1 7 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.881 -0.422 17918 4509 1 7 . 1 1 110 110 ILE C C 113 176.666 176.666 174.028 2.638 17918 4510 1 7 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.900 4.537 17918 4511 1 7 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.818 1.918 17918 4512 1 7 . 1 1 110 110 ILE H H 113 8.117 8.117 8.480 -0.363 17918 4513 1 7 . 1 1 111 111 ILE N N 114 125.121 125.121 123.263 1.858 17918 4514 1 7 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.118 -0.348 17918 4515 1 7 . 1 1 111 111 ILE C C 114 173.792 173.792 174.265 -0.473 17918 4516 1 7 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.731 2.253 17918 4517 1 7 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.145 1.538 17918 4518 1 7 . 1 1 111 111 ILE H H 114 8.604 8.604 9.080 -0.476 17918 4519 1 7 . 1 1 112 112 LYS N N 115 127.966 127.966 122.652 5.314 17918 4520 1 7 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.499 -0.326 17918 4521 1 7 . 1 1 112 112 LYS C C 115 177.267 177.267 175.061 2.206 17918 4522 1 7 . 1 1 112 112 LYS CA C 115 54.375 54.375 53.936 0.439 17918 4523 1 7 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.375 0.138 17918 4524 1 7 . 1 1 112 112 LYS H H 115 9.075 9.075 9.019 0.056 17918 4525 1 7 . 1 1 113 113 ARG N N 116 126.762 126.762 123.968 2.794 17918 4526 1 7 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.228 0.107 17918 4527 1 7 . 1 1 113 113 ARG C C 116 176.109 176.109 175.936 0.173 17918 4528 1 7 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.897 1.926 17918 4529 1 7 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.158 0.699 17918 4530 1 7 . 1 1 113 113 ARG H H 116 7.830 7.830 8.520 -0.690 17918 4531 1 7 . 1 1 114 114 LEU N N 117 128.545 128.545 127.948 0.597 17918 4532 1 7 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.668 -0.045 17918 4533 1 7 . 1 1 114 114 LEU C C 117 176.857 176.857 175.647 1.210 17918 4534 1 7 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.753 1.239 17918 4535 1 7 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.730 1.409 17918 4536 1 7 . 1 1 114 114 LEU H H 117 8.534 8.534 8.881 -0.347 17918 4537 1 8 . 1 1 2 2 SER N N 5 117.478 117.478 116.047 1.431 17918 4538 1 8 . 1 1 2 2 SER HA H 5 4.393 4.393 4.411 -0.018 17918 4539 1 8 . 1 1 2 2 SER C C 5 175.466 175.466 174.839 0.627 17918 4540 1 8 . 1 1 2 2 SER CA C 5 59.622 59.622 60.026 -0.404 17918 4541 1 8 . 1 1 2 2 SER CB C 5 64.896 64.896 63.182 1.714 17918 4542 1 8 . 1 1 2 2 SER H H 5 8.317 8.317 8.371 -0.054 17918 4543 1 8 . 1 1 3 3 GLU N N 6 123.783 123.783 120.413 3.370 17918 4544 1 8 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.391 -0.113 17918 4545 1 8 . 1 1 3 3 GLU C C 6 177.189 177.189 175.639 1.550 17918 4546 1 8 . 1 1 3 3 GLU CA C 6 57.791 57.791 56.088 1.703 17918 4547 1 8 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.403 1.165 17918 4548 1 8 . 1 1 3 3 GLU H H 6 8.359 8.359 7.985 0.374 17918 4549 1 8 . 1 1 4 4 LYS N N 7 122.875 122.875 118.447 4.428 17918 4550 1 8 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.180 0.334 17918 4551 1 8 . 1 1 4 4 LYS C C 7 176.557 176.557 174.911 1.646 17918 4552 1 8 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.199 -0.373 17918 4553 1 8 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.760 3.633 17918 4554 1 8 . 1 1 4 4 LYS H H 7 8.193 8.193 8.492 -0.299 17918 4555 1 8 . 1 1 5 5 LEU N N 8 123.258 123.258 123.309 -0.051 17918 4556 1 8 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.841 -0.447 17918 4557 1 8 . 1 1 5 5 LEU C C 8 175.699 175.699 173.627 2.072 17918 4558 1 8 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.860 0.682 17918 4559 1 8 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.985 -0.473 17918 4560 1 8 . 1 1 5 5 LEU H H 8 8.265 8.265 8.990 -0.725 17918 4561 1 8 . 1 1 6 6 ARG N N 9 117.197 117.197 118.763 -1.566 17918 4562 1 8 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.481 1.123 17918 4563 1 8 . 1 1 6 6 ARG C C 9 175.633 175.633 173.411 2.222 17918 4564 1 8 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.085 2.090 17918 4565 1 8 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.877 2.543 17918 4566 1 8 . 1 1 6 6 ARG H H 9 7.759 7.759 8.179 -0.420 17918 4567 1 8 . 1 1 7 7 ALA N N 10 126.954 126.954 127.158 -0.204 17918 4568 1 8 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.068 0.072 17918 4569 1 8 . 1 1 7 7 ALA C C 10 174.004 174.004 174.641 -0.637 17918 4570 1 8 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.490 0.376 17918 4571 1 8 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.928 2.079 17918 4572 1 8 . 1 1 7 7 ALA H H 10 7.637 7.637 8.561 -0.924 17918 4573 1 8 . 1 1 8 8 ALA N N 11 122.081 122.081 123.882 -1.801 17918 4574 1 8 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.531 1.259 17918 4575 1 8 . 1 1 8 8 ALA C C 11 177.446 177.446 175.457 1.989 17918 4576 1 8 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.254 0.022 17918 4577 1 8 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.899 2.722 17918 4578 1 8 . 1 1 8 8 ALA H H 11 8.991 8.991 8.412 0.579 17918 4579 1 8 . 1 1 9 9 HIS N N 12 118.002 118.002 118.282 -0.280 17918 4580 1 8 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.776 0.353 17918 4581 1 8 . 1 1 9 9 HIS C C 12 172.689 172.689 172.881 -0.192 17918 4582 1 8 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.504 1.592 17918 4583 1 8 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.270 5.462 17918 4584 1 8 . 1 1 9 9 HIS H H 12 9.489 9.489 7.867 1.622 17918 4585 1 8 . 1 1 10 10 LEU N N 13 126.276 126.276 120.845 5.431 17918 4586 1 8 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.922 -1.016 17918 4587 1 8 . 1 1 10 10 LEU C C 13 174.163 174.163 174.680 -0.517 17918 4588 1 8 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.487 3.216 17918 4589 1 8 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.377 -0.810 17918 4590 1 8 . 1 1 10 10 LEU H H 13 8.866 8.866 9.007 -0.141 17918 4591 1 8 . 1 1 11 11 LEU N N 14 127.134 127.134 127.537 -0.403 17918 4592 1 8 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.382 -0.644 17918 4593 1 8 . 1 1 11 11 LEU C C 14 175.626 175.626 174.598 1.028 17918 4594 1 8 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.437 0.166 17918 4595 1 8 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.246 0.449 17918 4596 1 8 . 1 1 11 11 LEU H H 14 7.762 7.762 8.207 -0.445 17918 4597 1 8 . 1 1 12 12 VAL N N 15 129.450 129.450 128.008 1.442 17918 4598 1 8 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.445 -0.035 17918 4599 1 8 . 1 1 12 12 VAL C C 15 177.055 177.055 175.016 2.039 17918 4600 1 8 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.333 2.508 17918 4601 1 8 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.504 -0.115 17918 4602 1 8 . 1 1 12 12 VAL H H 15 9.667 9.667 8.689 0.978 17918 4603 1 8 . 1 1 13 13 LYS N N 16 127.188 127.188 126.875 0.313 17918 4604 1 8 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.626 -0.144 17918 4605 1 8 . 1 1 13 13 LYS C C 16 176.034 176.034 174.792 1.242 17918 4606 1 8 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.078 3.088 17918 4607 1 8 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.457 3.337 17918 4608 1 8 . 1 1 13 13 LYS H H 16 9.138 9.138 8.551 0.587 17918 4609 1 8 . 1 1 14 14 PHE N N 17 117.138 117.138 119.767 -2.629 17918 4610 1 8 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.835 0.419 17918 4611 1 8 . 1 1 14 14 PHE C C 17 176.588 176.588 175.961 0.627 17918 4612 1 8 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.373 2.215 17918 4613 1 8 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.982 0.377 17918 4614 1 8 . 1 1 14 14 PHE H H 17 8.617 8.617 7.830 0.787 17918 4615 1 8 . 1 1 15 15 SER N N 18 120.047 120.047 116.836 3.211 17918 4616 1 8 . 1 1 15 15 SER HA H 18 4.019 4.019 4.126 -0.107 17918 4617 1 8 . 1 1 15 15 SER C C 18 180.099 180.099 175.616 4.483 17918 4618 1 8 . 1 1 15 15 SER CA C 18 62.865 62.865 62.169 0.696 17918 4619 1 8 . 1 1 15 15 SER CB C 18 64.300 64.300 63.410 0.890 17918 4620 1 8 . 1 1 15 15 SER H H 18 9.437 9.437 9.078 0.359 17918 4621 1 8 . 1 1 16 16 GLY C C 19 175.458 175.458 174.563 0.895 17918 4622 1 8 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.691 1.091 17918 4623 1 8 . 1 1 17 17 SER N N 20 120.550 120.550 115.164 5.386 17918 4624 1 8 . 1 1 17 17 SER HA H 20 3.839 3.839 3.989 -0.150 17918 4625 1 8 . 1 1 17 17 SER C C 20 174.702 174.702 175.154 -0.452 17918 4626 1 8 . 1 1 17 17 SER CA C 20 62.099 62.099 57.606 4.493 17918 4627 1 8 . 1 1 17 17 SER CB C 20 65.081 65.081 64.609 0.472 17918 4628 1 8 . 1 1 17 17 SER H H 20 7.236 7.236 7.237 -0.001 17918 4629 1 8 . 1 1 18 18 ARG N N 21 123.998 123.998 118.816 5.182 17918 4630 1 8 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.034 0.029 17918 4631 1 8 . 1 1 18 18 ARG C C 21 177.005 177.005 176.498 0.507 17918 4632 1 8 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.372 1.223 17918 4633 1 8 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.633 -0.527 17918 4634 1 8 . 1 1 18 18 ARG H H 21 8.544 8.544 8.335 0.209 17918 4635 1 8 . 1 1 19 19 ASN N N 22 116.403 116.403 113.718 2.685 17918 4636 1 8 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.047 0.217 17918 4637 1 8 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.646 0.174 17918 4638 1 8 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.751 0.745 17918 4639 1 8 . 1 1 19 19 ASN H H 22 8.412 8.412 7.589 0.823 17918 4640 1 8 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.601 -0.263 17918 4641 1 8 . 1 1 20 20 PRO C C 23 176.381 176.381 175.384 0.997 17918 4642 1 8 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.593 1.972 17918 4643 1 8 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.144 -0.834 17918 4644 1 8 . 1 1 21 21 VAL N N 24 126.905 126.905 117.927 8.978 17918 4645 1 8 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.298 0.050 17918 4646 1 8 . 1 1 21 21 VAL C C 24 176.393 176.393 174.091 2.302 17918 4647 1 8 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.788 3.051 17918 4648 1 8 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.924 0.062 17918 4649 1 8 . 1 1 21 21 VAL H H 24 8.810 8.810 7.817 0.993 17918 4650 1 8 . 1 1 22 22 SER N N 25 121.164 121.164 117.089 4.075 17918 4651 1 8 . 1 1 22 22 SER HA H 25 4.296 4.296 4.746 -0.450 17918 4652 1 8 . 1 1 22 22 SER C C 25 178.264 178.264 175.057 3.207 17918 4653 1 8 . 1 1 22 22 SER CA C 25 59.682 59.682 55.888 3.794 17918 4654 1 8 . 1 1 22 22 SER CB C 25 64.553 64.553 65.526 -0.973 17918 4655 1 8 . 1 1 22 22 SER H H 25 8.657 8.657 7.922 0.735 17918 4656 1 8 . 1 1 23 23 ARG N N 26 129.578 129.578 124.994 4.584 17918 4657 1 8 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.992 0.352 17918 4658 1 8 . 1 1 23 23 ARG C C 26 176.541 176.541 177.385 -0.844 17918 4659 1 8 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.457 0.803 17918 4660 1 8 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.962 0.920 17918 4661 1 8 . 1 1 23 23 ARG H H 26 8.837 8.837 8.924 -0.087 17918 4662 1 8 . 1 1 24 24 ARG N N 27 119.514 119.514 115.660 3.854 17918 4663 1 8 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.235 -0.445 17918 4664 1 8 . 1 1 24 24 ARG C C 27 177.905 177.905 177.428 0.477 17918 4665 1 8 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.290 0.526 17918 4666 1 8 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.641 2.423 17918 4667 1 8 . 1 1 24 24 ARG H H 27 7.439 7.439 7.706 -0.267 17918 4668 1 8 . 1 1 25 25 THR N N 28 127.221 127.221 106.382 20.839 17918 4669 1 8 . 1 1 25 25 THR HA H 28 4.258 4.258 4.471 -0.213 17918 4670 1 8 . 1 1 25 25 THR C C 28 177.078 177.078 175.695 1.383 17918 4671 1 8 . 1 1 25 25 THR CA C 28 62.291 62.291 61.984 0.307 17918 4672 1 8 . 1 1 25 25 THR CB C 28 71.224 71.224 72.050 -0.826 17918 4673 1 8 . 1 1 25 25 THR H H 28 7.088 7.088 7.669 -0.581 17918 4674 1 8 . 1 1 26 26 GLY N N 29 110.483 110.483 111.243 -0.760 17918 4675 1 8 . 1 1 26 26 GLY C C 29 174.471 174.471 173.973 0.498 17918 4676 1 8 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.903 0.566 17918 4677 1 8 . 1 1 26 26 GLY H H 29 7.678 7.678 8.685 -1.007 17918 4678 1 8 . 1 1 27 27 ASP N N 30 120.302 120.302 120.521 -0.219 17918 4679 1 8 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.863 -0.100 17918 4680 1 8 . 1 1 27 27 ASP C C 30 177.147 177.147 175.641 1.506 17918 4681 1 8 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.613 0.150 17918 4682 1 8 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.778 0.172 17918 4683 1 8 . 1 1 27 27 ASP H H 30 8.128 8.128 8.368 -0.240 17918 4684 1 8 . 1 1 28 28 SER N N 31 113.726 113.726 112.103 1.623 17918 4685 1 8 . 1 1 28 28 SER HA H 31 4.629 4.629 4.919 -0.290 17918 4686 1 8 . 1 1 28 28 SER C C 31 178.127 178.127 173.056 5.071 17918 4687 1 8 . 1 1 28 28 SER CA C 31 58.869 58.869 57.458 1.411 17918 4688 1 8 . 1 1 28 28 SER CB C 31 64.796 64.796 65.797 -1.001 17918 4689 1 8 . 1 1 28 28 SER H H 31 8.633 8.633 7.733 0.900 17918 4690 1 8 . 1 1 29 29 THR N N 32 120.655 120.655 115.308 5.347 17918 4691 1 8 . 1 1 29 29 THR HA H 32 4.589 4.589 4.520 0.069 17918 4692 1 8 . 1 1 29 29 THR C C 32 176.368 176.368 173.141 3.227 17918 4693 1 8 . 1 1 29 29 THR CA C 32 62.892 62.892 62.786 0.106 17918 4694 1 8 . 1 1 29 29 THR CB C 32 69.624 69.624 68.944 0.680 17918 4695 1 8 . 1 1 29 29 THR H H 32 8.397 8.397 8.701 -0.304 17918 4696 1 8 . 1 1 30 30 ALA N N 33 124.923 124.923 125.140 -0.217 17918 4697 1 8 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.415 -0.620 17918 4698 1 8 . 1 1 30 30 ALA C C 33 177.708 177.708 177.114 0.594 17918 4699 1 8 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.132 3.696 17918 4700 1 8 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.887 1.962 17918 4701 1 8 . 1 1 30 30 ALA H H 33 8.251 8.251 8.610 -0.359 17918 4702 1 8 . 1 1 31 31 ASP N N 34 114.016 114.016 118.926 -4.910 17918 4703 1 8 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.666 0.065 17918 4704 1 8 . 1 1 31 31 ASP C C 34 176.973 176.973 175.998 0.975 17918 4705 1 8 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.262 0.319 17918 4706 1 8 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.335 -0.435 17918 4707 1 8 . 1 1 31 31 ASP H H 34 8.398 8.398 8.061 0.337 17918 4708 1 8 . 1 1 32 32 VAL N N 35 123.637 123.637 121.129 2.508 17918 4709 1 8 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.407 -0.147 17918 4710 1 8 . 1 1 32 32 VAL C C 35 177.725 177.725 174.962 2.763 17918 4711 1 8 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.831 2.661 17918 4712 1 8 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.167 0.590 17918 4713 1 8 . 1 1 32 32 VAL H H 35 7.323 7.323 7.393 -0.070 17918 4714 1 8 . 1 1 33 33 THR N N 36 121.552 121.552 118.903 2.649 17918 4715 1 8 . 1 1 33 33 THR HA H 36 4.642 4.642 4.742 -0.100 17918 4716 1 8 . 1 1 33 33 THR C C 36 176.268 176.268 175.114 1.154 17918 4717 1 8 . 1 1 33 33 THR CA C 36 62.597 62.597 59.751 2.846 17918 4718 1 8 . 1 1 33 33 THR CB C 36 72.388 72.388 70.629 1.759 17918 4719 1 8 . 1 1 33 33 THR H H 36 9.078 9.078 8.138 0.940 17918 4720 1 8 . 1 1 34 34 TYR N N 37 122.486 122.486 119.579 2.907 17918 4721 1 8 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.747 -0.313 17918 4722 1 8 . 1 1 34 34 TYR C C 37 177.216 177.216 177.186 0.030 17918 4723 1 8 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.661 2.380 17918 4724 1 8 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.630 2.864 17918 4725 1 8 . 1 1 34 34 TYR H H 37 9.247 9.247 8.566 0.681 17918 4726 1 8 . 1 1 35 35 GLU N N 38 116.626 116.626 120.044 -3.418 17918 4727 1 8 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.547 0.132 17918 4728 1 8 . 1 1 35 35 GLU C C 38 180.453 180.453 178.924 1.529 17918 4729 1 8 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.551 1.894 17918 4730 1 8 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.796 1.363 17918 4731 1 8 . 1 1 35 35 GLU H H 38 8.782 8.782 7.896 0.886 17918 4732 1 8 . 1 1 36 36 ASP N N 39 120.670 120.670 119.930 0.740 17918 4733 1 8 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.303 0.069 17918 4734 1 8 . 1 1 36 36 ASP C C 39 180.015 180.015 178.441 1.574 17918 4735 1 8 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.199 1.020 17918 4736 1 8 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.518 0.716 17918 4737 1 8 . 1 1 36 36 ASP H H 39 7.916 7.916 8.027 -0.111 17918 4738 1 8 . 1 1 37 37 ALA N N 40 126.126 126.126 122.982 3.144 17918 4739 1 8 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.090 -0.250 17918 4740 1 8 . 1 1 37 37 ALA C C 40 179.923 179.923 179.329 0.594 17918 4741 1 8 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.177 1.168 17918 4742 1 8 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.646 1.207 17918 4743 1 8 . 1 1 37 37 ALA H H 40 8.318 8.318 8.052 0.266 17918 4744 1 8 . 1 1 38 38 ILE N N 41 118.850 118.850 119.248 -0.398 17918 4745 1 8 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.566 -0.098 17918 4746 1 8 . 1 1 38 38 ILE C C 41 179.106 179.106 177.824 1.282 17918 4747 1 8 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.235 -0.856 17918 4748 1 8 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.808 -0.517 17918 4749 1 8 . 1 1 38 38 ILE H H 41 8.151 8.151 8.145 0.006 17918 4750 1 8 . 1 1 39 39 LYS N N 42 120.585 120.585 119.179 1.406 17918 4751 1 8 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.837 0.147 17918 4752 1 8 . 1 1 39 39 LYS C C 42 180.883 180.883 178.488 2.395 17918 4753 1 8 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.940 0.945 17918 4754 1 8 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.111 1.429 17918 4755 1 8 . 1 1 39 39 LYS H H 42 7.519 7.519 8.296 -0.777 17918 4756 1 8 . 1 1 40 40 GLU N N 43 121.167 121.167 119.782 1.385 17918 4757 1 8 . 1 1 40 40 GLU HA H 43 4.316 4.316 3.954 0.362 17918 4758 1 8 . 1 1 40 40 GLU C C 43 179.969 179.969 178.820 1.149 17918 4759 1 8 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.190 0.816 17918 4760 1 8 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.404 1.337 17918 4761 1 8 . 1 1 40 40 GLU H H 43 7.911 7.911 7.597 0.314 17918 4762 1 8 . 1 1 41 41 LEU N N 44 121.081 121.081 120.991 0.090 17918 4763 1 8 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.312 -0.121 17918 4764 1 8 . 1 1 41 41 LEU C C 44 180.778 180.778 179.531 1.247 17918 4765 1 8 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.428 0.504 17918 4766 1 8 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.545 1.340 17918 4767 1 8 . 1 1 41 41 LEU H H 44 8.424 8.424 7.848 0.576 17918 4768 1 8 . 1 1 42 42 GLN N N 45 121.129 121.129 118.092 3.037 17918 4769 1 8 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.135 -0.106 17918 4770 1 8 . 1 1 42 42 GLN C C 45 179.911 179.911 178.807 1.104 17918 4771 1 8 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.460 1.899 17918 4772 1 8 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.203 0.818 17918 4773 1 8 . 1 1 42 42 GLN H H 45 8.971 8.971 8.668 0.303 17918 4774 1 8 . 1 1 43 43 LYS N N 46 121.830 121.830 120.605 1.225 17918 4775 1 8 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.029 -0.022 17918 4776 1 8 . 1 1 43 43 LYS C C 46 180.898 180.898 178.579 2.319 17918 4777 1 8 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.207 1.437 17918 4778 1 8 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.124 0.340 17918 4779 1 8 . 1 1 43 43 LYS H H 46 7.769 7.769 7.540 0.229 17918 4780 1 8 . 1 1 44 44 TRP N N 47 119.737 119.737 121.719 -1.982 17918 4781 1 8 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.180 -0.224 17918 4782 1 8 . 1 1 44 44 TRP C C 47 179.173 179.173 178.437 0.736 17918 4783 1 8 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.027 3.019 17918 4784 1 8 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.520 0.095 17918 4785 1 8 . 1 1 44 44 TRP H H 47 8.002 8.002 8.141 -0.139 17918 4786 1 8 . 1 1 45 45 SER N N 48 114.940 114.940 113.267 1.673 17918 4787 1 8 . 1 1 45 45 SER HA H 48 4.072 4.072 3.986 0.086 17918 4788 1 8 . 1 1 45 45 SER C C 48 178.249 178.249 176.970 1.279 17918 4789 1 8 . 1 1 45 45 SER CA C 48 63.707 63.707 61.447 2.260 17918 4790 1 8 . 1 1 45 45 SER H H 48 8.901 8.901 8.898 0.003 17918 4791 1 8 . 1 1 46 46 GLN N N 49 121.411 121.411 122.505 -1.094 17918 4792 1 8 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.046 0.151 17918 4793 1 8 . 1 1 46 46 GLN C C 49 179.809 179.809 178.007 1.802 17918 4794 1 8 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.848 1.011 17918 4795 1 8 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.710 0.482 17918 4796 1 8 . 1 1 46 46 GLN H H 49 7.950 7.950 7.514 0.436 17918 4797 1 8 . 1 1 47 47 ARG N N 50 121.809 121.809 120.136 1.673 17918 4798 1 8 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.296 -0.245 17918 4799 1 8 . 1 1 47 47 ARG C C 50 179.464 179.464 179.311 0.153 17918 4800 1 8 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.680 1.367 17918 4801 1 8 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.434 1.559 17918 4802 1 8 . 1 1 47 47 ARG H H 50 7.834 7.834 8.256 -0.422 17918 4803 1 8 . 1 1 48 48 ILE N N 51 120.569 120.569 118.362 2.207 17918 4804 1 8 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.210 0.278 17918 4805 1 8 . 1 1 48 48 ILE C C 51 181.848 181.848 178.058 3.790 17918 4806 1 8 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.623 -0.060 17918 4807 1 8 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.931 2.762 17918 4808 1 8 . 1 1 48 48 ILE H H 51 8.127 8.127 8.722 -0.595 17918 4809 1 8 . 1 1 49 49 ALA N N 52 124.538 124.538 121.267 3.271 17918 4810 1 8 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.162 0.047 17918 4811 1 8 . 1 1 49 49 ALA C C 52 181.120 181.120 178.481 2.639 17918 4812 1 8 . 1 1 49 49 ALA CA C 52 56.419 56.419 53.954 2.465 17918 4813 1 8 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.188 0.228 17918 4814 1 8 . 1 1 49 49 ALA H H 52 8.526 8.526 7.530 0.996 17918 4815 1 8 . 1 1 50 50 SER N N 53 111.097 111.097 113.689 -2.592 17918 4816 1 8 . 1 1 50 50 SER HA H 53 4.428 4.428 4.285 0.143 17918 4817 1 8 . 1 1 50 50 SER C C 53 176.608 176.608 176.292 0.316 17918 4818 1 8 . 1 1 50 50 SER CA C 53 60.248 60.248 59.687 0.561 17918 4819 1 8 . 1 1 50 50 SER CB C 53 65.098 65.098 64.722 0.376 17918 4820 1 8 . 1 1 50 50 SER H H 53 8.124 8.124 8.166 -0.042 17918 4821 1 8 . 1 1 51 51 GLY N N 54 110.581 110.581 109.143 1.438 17918 4822 1 8 . 1 1 51 51 GLY C C 54 175.699 175.699 174.979 0.720 17918 4823 1 8 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.829 1.602 17918 4824 1 8 . 1 1 51 51 GLY H H 54 7.904 7.904 8.298 -0.394 17918 4825 1 8 . 1 1 52 52 GLU N N 55 122.231 122.231 120.383 1.848 17918 4826 1 8 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.135 -0.132 17918 4827 1 8 . 1 1 52 52 GLU C C 55 177.647 177.647 176.854 0.793 17918 4828 1 8 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.597 1.491 17918 4829 1 8 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.240 1.383 17918 4830 1 8 . 1 1 52 52 GLU H H 55 8.204 8.204 7.938 0.266 17918 4831 1 8 . 1 1 53 53 VAL N N 56 111.615 111.615 112.141 -0.526 17918 4832 1 8 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.582 -0.003 17918 4833 1 8 . 1 1 53 53 VAL C C 56 175.225 175.225 174.501 0.724 17918 4834 1 8 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.739 -0.055 17918 4835 1 8 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.813 0.720 17918 4836 1 8 . 1 1 53 53 VAL H H 56 7.274 7.274 7.493 -0.219 17918 4837 1 8 . 1 1 54 54 SER N N 57 119.532 119.532 113.710 5.822 17918 4838 1 8 . 1 1 54 54 SER HA H 57 4.692 4.692 4.767 -0.075 17918 4839 1 8 . 1 1 54 54 SER C C 57 176.092 176.092 175.386 0.706 17918 4840 1 8 . 1 1 54 54 SER CA C 57 58.189 58.189 56.448 1.741 17918 4841 1 8 . 1 1 54 54 SER CB C 57 66.447 66.447 65.467 0.980 17918 4842 1 8 . 1 1 54 54 SER H H 57 8.637 8.637 8.173 0.464 17918 4843 1 8 . 1 1 55 55 PHE N N 58 123.609 123.609 122.493 1.116 17918 4844 1 8 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.120 -0.466 17918 4845 1 8 . 1 1 55 55 PHE C C 58 177.469 177.469 176.632 0.837 17918 4846 1 8 . 1 1 55 55 PHE CA C 58 63.857 63.857 62.046 1.811 17918 4847 1 8 . 1 1 55 55 PHE CB C 58 40.966 40.966 39.099 1.867 17918 4848 1 8 . 1 1 55 55 PHE H H 58 9.326 9.326 9.070 0.256 17918 4849 1 8 . 1 1 56 56 GLU N N 59 116.994 116.994 118.823 -1.829 17918 4850 1 8 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.215 -0.010 17918 4851 1 8 . 1 1 56 56 GLU C C 59 180.852 180.852 179.138 1.714 17918 4852 1 8 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.175 1.192 17918 4853 1 8 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.661 1.169 17918 4854 1 8 . 1 1 56 56 GLU H H 59 9.464 9.464 8.579 0.885 17918 4855 1 8 . 1 1 57 57 GLU N N 60 122.452 122.452 118.950 3.502 17918 4856 1 8 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.003 0.020 17918 4857 1 8 . 1 1 57 57 GLU C C 60 179.899 179.899 178.728 1.171 17918 4858 1 8 . 1 1 57 57 GLU CA C 60 60.013 60.013 59.041 0.973 17918 4859 1 8 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.130 2.055 17918 4860 1 8 . 1 1 57 57 GLU H H 60 7.978 7.978 7.661 0.317 17918 4861 1 8 . 1 1 58 58 ALA N N 61 123.053 123.053 121.107 1.946 17918 4862 1 8 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.302 0.279 17918 4863 1 8 . 1 1 58 58 ALA C C 61 179.854 179.854 179.323 0.531 17918 4864 1 8 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.247 1.634 17918 4865 1 8 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.405 2.655 17918 4866 1 8 . 1 1 58 58 ALA H H 61 8.157 8.157 7.351 0.806 17918 4867 1 8 . 1 1 59 59 ALA N N 62 120.029 120.029 120.600 -0.571 17918 4868 1 8 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.965 -0.413 17918 4869 1 8 . 1 1 59 59 ALA C C 62 181.080 181.080 180.077 1.003 17918 4870 1 8 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.917 1.501 17918 4871 1 8 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.468 -0.426 17918 4872 1 8 . 1 1 59 59 ALA H H 62 8.540 8.540 8.553 -0.013 17918 4873 1 8 . 1 1 60 60 SER N N 63 113.010 113.010 112.369 0.641 17918 4874 1 8 . 1 1 60 60 SER HA H 63 4.766 4.766 4.363 0.403 17918 4875 1 8 . 1 1 60 60 SER C C 63 176.299 176.299 175.754 0.545 17918 4876 1 8 . 1 1 60 60 SER CA C 63 62.414 62.414 61.410 1.004 17918 4877 1 8 . 1 1 60 60 SER CB C 63 64.687 64.687 63.449 1.238 17918 4878 1 8 . 1 1 60 60 SER H H 63 8.013 8.013 7.797 0.216 17918 4879 1 8 . 1 1 61 61 GLN N N 64 115.830 115.830 117.264 -1.434 17918 4880 1 8 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.268 -0.138 17918 4881 1 8 . 1 1 61 61 GLN C C 64 178.579 178.579 177.258 1.321 17918 4882 1 8 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.951 0.415 17918 4883 1 8 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.388 1.988 17918 4884 1 8 . 1 1 61 61 GLN H H 64 7.496 7.496 7.487 0.009 17918 4885 1 8 . 1 1 62 62 ARG N N 65 115.716 115.716 117.042 -1.326 17918 4886 1 8 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.495 -0.034 17918 4887 1 8 . 1 1 62 62 ARG C C 65 176.601 176.601 176.679 -0.078 17918 4888 1 8 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.365 -2.734 17918 4889 1 8 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.994 1.662 17918 4890 1 8 . 1 1 62 62 ARG H H 65 7.693 7.693 8.291 -0.598 17918 4891 1 8 . 1 1 63 63 SER N N 66 114.680 114.680 115.454 -0.774 17918 4892 1 8 . 1 1 63 63 SER HA H 66 4.222 4.222 4.532 -0.310 17918 4893 1 8 . 1 1 63 63 SER C C 66 177.034 177.034 175.018 2.016 17918 4894 1 8 . 1 1 63 63 SER CA C 66 59.677 59.677 59.328 0.349 17918 4895 1 8 . 1 1 63 63 SER CB C 66 65.786 65.786 63.580 2.206 17918 4896 1 8 . 1 1 63 63 SER H H 66 8.528 8.528 7.606 0.922 17918 4897 1 8 . 1 1 64 64 ASP N N 67 123.612 123.612 127.489 -3.877 17918 4898 1 8 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.438 0.461 17918 4899 1 8 . 1 1 64 64 ASP C C 67 176.674 176.674 176.416 0.258 17918 4900 1 8 . 1 1 64 64 ASP CA C 67 55.991 55.991 55.955 0.036 17918 4901 1 8 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.394 2.263 17918 4902 1 8 . 1 1 64 64 ASP H H 67 9.645 9.645 8.743 0.902 17918 4903 1 8 . 1 1 65 65 CYS N N 68 124.716 124.716 119.107 5.609 17918 4904 1 8 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.587 -0.142 17918 4905 1 8 . 1 1 65 65 CYS C C 68 177.747 177.747 176.963 0.784 17918 4906 1 8 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.136 0.982 17918 4907 1 8 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.615 0.844 17918 4908 1 8 . 1 1 65 65 CYS H H 68 7.903 7.903 7.397 0.506 17918 4909 1 8 . 1 1 66 66 GLY N N 69 118.503 118.503 113.128 5.375 17918 4910 1 8 . 1 1 66 66 GLY C C 69 175.872 175.872 175.423 0.449 17918 4911 1 8 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.670 1.272 17918 4912 1 8 . 1 1 66 66 GLY H H 69 8.811 8.811 9.026 -0.215 17918 4913 1 8 . 1 1 67 67 SER N N 70 120.316 120.316 117.601 2.715 17918 4914 1 8 . 1 1 67 67 SER HA H 70 4.245 4.245 4.140 0.105 17918 4915 1 8 . 1 1 67 67 SER C C 70 178.404 178.404 176.116 2.288 17918 4916 1 8 . 1 1 67 67 SER CA C 70 61.611 61.611 60.368 1.242 17918 4917 1 8 . 1 1 67 67 SER CB C 70 64.297 64.297 62.761 1.536 17918 4918 1 8 . 1 1 67 67 SER H H 70 9.556 9.556 7.927 1.629 17918 4919 1 8 . 1 1 68 68 TYR N N 71 129.376 129.376 121.220 8.156 17918 4920 1 8 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.265 -0.234 17918 4921 1 8 . 1 1 68 68 TYR C C 71 177.613 177.613 177.066 0.547 17918 4922 1 8 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.371 3.021 17918 4923 1 8 . 1 1 68 68 TYR CB C 71 36.797 36.797 37.085 -0.288 17918 4924 1 8 . 1 1 68 68 TYR H H 71 8.584 8.584 8.440 0.144 17918 4925 1 8 . 1 1 69 69 ALA N N 72 122.673 122.673 121.656 1.017 17918 4926 1 8 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.894 -0.249 17918 4927 1 8 . 1 1 69 69 ALA C C 72 179.011 179.011 177.762 1.249 17918 4928 1 8 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.587 0.703 17918 4929 1 8 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.079 1.042 17918 4930 1 8 . 1 1 69 69 ALA H H 72 5.645 5.645 7.161 -1.516 17918 4931 1 8 . 1 1 70 70 SER N N 73 114.496 114.496 112.330 2.166 17918 4932 1 8 . 1 1 70 70 SER HA H 73 4.782 4.782 4.476 0.306 17918 4933 1 8 . 1 1 70 70 SER C C 73 177.320 177.320 175.366 1.954 17918 4934 1 8 . 1 1 70 70 SER CA C 73 57.287 57.287 57.792 -0.505 17918 4935 1 8 . 1 1 70 70 SER CB C 73 64.538 64.538 64.201 0.337 17918 4936 1 8 . 1 1 70 70 SER H H 73 7.654 7.654 7.485 0.169 17918 4937 1 8 . 1 1 71 71 GLY N N 74 112.182 112.182 110.932 1.250 17918 4938 1 8 . 1 1 71 71 GLY C C 74 174.379 174.379 174.424 -0.045 17918 4939 1 8 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.713 3.721 17918 4940 1 8 . 1 1 71 71 GLY H H 74 7.933 7.933 7.661 0.272 17918 4941 1 8 . 1 1 72 72 GLY N N 75 126.463 126.463 109.018 17.445 17918 4942 1 8 . 1 1 72 72 GLY C C 75 175.121 175.121 172.459 2.662 17918 4943 1 8 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.623 0.449 17918 4944 1 8 . 1 1 72 72 GLY H H 75 7.994 7.994 8.446 -0.452 17918 4945 1 8 . 1 1 73 73 ASP N N 76 118.815 118.815 120.420 -1.605 17918 4946 1 8 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.475 -0.061 17918 4947 1 8 . 1 1 73 73 ASP C C 76 177.362 177.362 175.033 2.329 17918 4948 1 8 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.749 2.374 17918 4949 1 8 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.569 -0.118 17918 4950 1 8 . 1 1 73 73 ASP H H 76 6.956 6.956 7.510 -0.554 17918 4951 1 8 . 1 1 74 74 LEU N N 77 128.720 128.720 123.363 5.357 17918 4952 1 8 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.674 -0.319 17918 4953 1 8 . 1 1 74 74 LEU C C 77 179.412 179.412 177.237 2.175 17918 4954 1 8 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.506 2.628 17918 4955 1 8 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.616 1.226 17918 4956 1 8 . 1 1 74 74 LEU H H 77 8.694 8.694 8.435 0.259 17918 4957 1 8 . 1 1 75 75 GLY N N 78 109.695 109.695 108.072 1.623 17918 4958 1 8 . 1 1 75 75 GLY C C 78 173.473 173.473 174.778 -1.305 17918 4959 1 8 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.035 0.311 17918 4960 1 8 . 1 1 75 75 GLY H H 78 8.682 8.682 7.542 1.140 17918 4961 1 8 . 1 1 76 76 PHE N N 79 115.646 115.646 115.036 0.610 17918 4962 1 8 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.978 1.241 17918 4963 1 8 . 1 1 76 76 PHE C C 79 178.904 178.904 175.069 3.835 17918 4964 1 8 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.258 0.198 17918 4965 1 8 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.073 3.744 17918 4966 1 8 . 1 1 76 76 PHE H H 79 8.203 8.203 7.293 0.910 17918 4967 1 8 . 1 1 77 77 PHE N N 80 119.508 119.508 117.564 1.944 17918 4968 1 8 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.967 0.170 17918 4969 1 8 . 1 1 77 77 PHE C C 80 174.331 174.331 173.479 0.852 17918 4970 1 8 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.925 0.971 17918 4971 1 8 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.107 1.356 17918 4972 1 8 . 1 1 77 77 PHE H H 80 9.112 9.112 8.742 0.370 17918 4973 1 8 . 1 1 78 78 SER N N 81 116.578 116.578 115.855 0.723 17918 4974 1 8 . 1 1 78 78 SER HA H 81 4.957 4.957 5.023 -0.066 17918 4975 1 8 . 1 1 78 78 SER C C 81 176.191 176.191 175.871 0.320 17918 4976 1 8 . 1 1 78 78 SER CA C 81 58.065 58.065 57.417 0.648 17918 4977 1 8 . 1 1 78 78 SER CB C 81 66.514 66.514 64.520 1.994 17918 4978 1 8 . 1 1 78 78 SER H H 81 8.930 8.930 8.509 0.421 17918 4979 1 8 . 1 1 79 79 SER N N 82 118.715 118.715 121.752 -3.037 17918 4980 1 8 . 1 1 79 79 SER HA H 82 4.420 4.420 4.419 0.001 17918 4981 1 8 . 1 1 79 79 SER C C 82 176.946 176.946 176.506 0.440 17918 4982 1 8 . 1 1 79 79 SER CA C 82 60.988 60.988 61.187 -0.199 17918 4983 1 8 . 1 1 79 79 SER CB C 82 64.242 64.242 62.832 1.410 17918 4984 1 8 . 1 1 79 79 SER H H 82 8.751 8.751 8.990 -0.239 17918 4985 1 8 . 1 1 80 80 GLY N N 83 117.069 117.069 109.855 7.214 17918 4986 1 8 . 1 1 80 80 GLY C C 83 175.628 175.628 173.671 1.957 17918 4987 1 8 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.308 1.324 17918 4988 1 8 . 1 1 80 80 GLY H H 83 10.009 10.009 8.554 1.455 17918 4989 1 8 . 1 1 81 81 GLU N N 84 120.322 120.322 120.949 -0.627 17918 4990 1 8 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.451 -0.220 17918 4991 1 8 . 1 1 81 81 GLU C C 84 178.456 178.456 176.829 1.627 17918 4992 1 8 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.449 3.278 17918 4993 1 8 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.453 2.268 17918 4994 1 8 . 1 1 81 81 GLU H H 84 7.812 7.812 8.361 -0.549 17918 4995 1 8 . 1 1 82 82 MET N N 85 117.156 117.156 117.011 0.145 17918 4996 1 8 . 1 1 82 82 MET HA H 85 4.569 4.569 4.637 -0.068 17918 4997 1 8 . 1 1 82 82 MET C C 85 176.991 176.991 175.843 1.148 17918 4998 1 8 . 1 1 82 82 MET CA C 85 53.174 53.174 54.344 -1.170 17918 4999 1 8 . 1 1 82 82 MET CB C 85 34.386 34.386 33.415 0.971 17918 5000 1 8 . 1 1 82 82 MET H H 85 8.601 8.601 7.407 1.194 17918 5001 1 8 . 1 1 83 83 MET N N 86 119.413 119.413 119.072 0.341 17918 5002 1 8 . 1 1 83 83 MET HA H 86 4.273 4.273 4.291 -0.018 17918 5003 1 8 . 1 1 83 83 MET C C 86 178.979 178.979 177.402 1.577 17918 5004 1 8 . 1 1 83 83 MET CA C 86 58.320 58.320 56.109 2.211 17918 5005 1 8 . 1 1 83 83 MET CB C 86 34.339 34.339 32.725 1.614 17918 5006 1 8 . 1 1 83 83 MET H H 86 8.413 8.413 8.313 0.100 17918 5007 1 8 . 1 1 84 84 LYS N N 87 126.834 126.834 122.950 3.884 17918 5008 1 8 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.098 0.642 17918 5009 1 8 . 1 1 84 84 LYS C C 87 175.267 175.267 176.802 -1.535 17918 5010 1 8 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.345 1.116 17918 5011 1 8 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.562 0.873 17918 5012 1 8 . 1 1 84 84 LYS H H 87 9.099 9.099 8.832 0.267 17918 5013 1 8 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.352 0.113 17918 5014 1 8 . 1 1 85 85 PRO C C 88 180.671 180.671 178.580 2.091 17918 5015 1 8 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.426 1.317 17918 5016 1 8 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.672 0.584 17918 5017 1 8 . 1 1 86 86 PHE N N 89 116.583 116.583 119.591 -3.008 17918 5018 1 8 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.169 -0.522 17918 5019 1 8 . 1 1 86 86 PHE C C 89 177.086 177.086 177.044 0.042 17918 5020 1 8 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.689 0.795 17918 5021 1 8 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.437 2.073 17918 5022 1 8 . 1 1 86 86 PHE H H 89 7.102 7.102 7.879 -0.777 17918 5023 1 8 . 1 1 87 87 GLU N N 90 120.506 120.506 119.672 0.834 17918 5024 1 8 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.699 0.025 17918 5025 1 8 . 1 1 87 87 GLU C C 90 179.102 179.102 178.347 0.755 17918 5026 1 8 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.558 2.299 17918 5027 1 8 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.192 1.592 17918 5028 1 8 . 1 1 87 87 GLU H H 90 8.126 8.126 8.826 -0.700 17918 5029 1 8 . 1 1 88 88 ASP N N 91 118.355 118.355 118.952 -0.597 17918 5030 1 8 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.373 -0.138 17918 5031 1 8 . 1 1 88 88 ASP C C 91 180.067 180.067 177.779 2.288 17918 5032 1 8 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.058 1.246 17918 5033 1 8 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.735 0.291 17918 5034 1 8 . 1 1 88 88 ASP H H 91 9.121 9.121 8.165 0.956 17918 5035 1 8 . 1 1 89 89 ALA N N 92 121.718 121.718 121.350 0.368 17918 5036 1 8 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.168 -0.096 17918 5037 1 8 . 1 1 89 89 ALA C C 92 181.131 181.131 179.430 1.701 17918 5038 1 8 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.613 1.232 17918 5039 1 8 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.538 1.561 17918 5040 1 8 . 1 1 89 89 ALA H H 92 7.154 7.154 7.336 -0.182 17918 5041 1 8 . 1 1 90 90 VAL N N 93 117.315 117.315 118.118 -0.803 17918 5042 1 8 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.539 -0.124 17918 5043 1 8 . 1 1 90 90 VAL C C 93 178.908 178.908 178.184 0.724 17918 5044 1 8 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.693 2.061 17918 5045 1 8 . 1 1 90 90 VAL CB C 93 32.349 32.349 30.866 1.483 17918 5046 1 8 . 1 1 90 90 VAL H H 93 7.797 7.797 7.342 0.455 17918 5047 1 8 . 1 1 91 91 ARG N N 94 116.826 116.826 117.514 -0.688 17918 5048 1 8 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.064 -0.210 17918 5049 1 8 . 1 1 91 91 ARG C C 94 177.858 177.858 177.602 0.256 17918 5050 1 8 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.671 1.795 17918 5051 1 8 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.274 1.814 17918 5052 1 8 . 1 1 91 91 ARG H H 94 8.154 8.154 8.029 0.125 17918 5053 1 8 . 1 1 92 92 ALA N N 95 118.849 118.849 121.979 -3.130 17918 5054 1 8 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.205 0.088 17918 5055 1 8 . 1 1 92 92 ALA C C 95 178.452 178.452 178.355 0.097 17918 5056 1 8 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.496 -0.019 17918 5057 1 8 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.304 0.843 17918 5058 1 8 . 1 1 92 92 ALA H H 95 7.067 7.067 7.319 -0.252 17918 5059 1 8 . 1 1 93 93 LEU N N 96 120.871 120.871 114.565 6.306 17918 5060 1 8 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.481 0.033 17918 5061 1 8 . 1 1 93 93 LEU C C 96 179.045 179.045 176.064 2.981 17918 5062 1 8 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.881 1.282 17918 5063 1 8 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.075 2.857 17918 5064 1 8 . 1 1 93 93 LEU H H 96 7.396 7.396 7.378 0.017 17918 5065 1 8 . 1 1 94 94 LYS N N 97 121.289 121.289 118.915 2.374 17918 5066 1 8 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.408 0.000 17918 5067 1 8 . 1 1 94 94 LYS C C 97 178.629 178.629 176.694 1.935 17918 5068 1 8 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.429 1.865 17918 5069 1 8 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.203 -0.808 17918 5070 1 8 . 1 1 94 94 LYS H H 97 8.274 8.274 8.446 -0.172 17918 5071 1 8 . 1 1 95 95 ILE N N 98 122.343 122.343 124.036 -1.693 17918 5072 1 8 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.613 -0.548 17918 5073 1 8 . 1 1 95 95 ILE C C 98 178.406 178.406 177.025 1.381 17918 5074 1 8 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.609 2.685 17918 5075 1 8 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.950 1.212 17918 5076 1 8 . 1 1 95 95 ILE H H 98 8.396 8.396 8.485 -0.089 17918 5077 1 8 . 1 1 96 96 GLY N N 99 118.074 118.074 116.404 1.670 17918 5078 1 8 . 1 1 96 96 GLY C C 99 174.605 174.605 174.417 0.188 17918 5079 1 8 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.602 1.571 17918 5080 1 8 . 1 1 96 96 GLY H H 99 8.988 8.988 8.861 0.127 17918 5081 1 8 . 1 1 97 97 ASP N N 100 121.984 121.984 122.419 -0.435 17918 5082 1 8 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.904 -0.109 17918 5083 1 8 . 1 1 97 97 ASP C C 100 175.344 175.344 175.505 -0.161 17918 5084 1 8 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.008 1.029 17918 5085 1 8 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.390 1.563 17918 5086 1 8 . 1 1 97 97 ASP H H 100 7.978 7.978 8.502 -0.524 17918 5087 1 8 . 1 1 98 98 ILE N N 101 117.483 117.483 119.679 -2.196 17918 5088 1 8 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.523 0.637 17918 5089 1 8 . 1 1 98 98 ILE C C 101 178.147 178.147 175.921 2.226 17918 5090 1 8 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.248 0.088 17918 5091 1 8 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.016 0.277 17918 5092 1 8 . 1 1 98 98 ILE H H 101 8.048 8.048 8.211 -0.163 17918 5093 1 8 . 1 1 99 99 SER N N 102 126.778 126.778 124.495 2.283 17918 5094 1 8 . 1 1 99 99 SER HA H 102 4.526 4.526 4.950 -0.424 17918 5095 1 8 . 1 1 99 99 SER C C 102 172.735 172.735 173.402 -0.667 17918 5096 1 8 . 1 1 99 99 SER CA C 102 59.441 59.441 56.371 3.070 17918 5097 1 8 . 1 1 99 99 SER CB C 102 64.572 64.572 63.191 1.381 17918 5098 1 8 . 1 1 99 99 SER H H 102 9.722 9.722 8.859 0.863 17918 5099 1 8 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.509 0.310 17918 5100 1 8 . 1 1 100 100 PRO C C 103 176.647 176.647 176.486 0.161 17918 5101 1 8 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.624 0.504 17918 5102 1 8 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.174 1.265 17918 5103 1 8 . 1 1 101 101 ILE N N 104 120.048 120.048 119.363 0.685 17918 5104 1 8 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.121 0.186 17918 5105 1 8 . 1 1 101 101 ILE C C 104 178.021 178.021 176.111 1.910 17918 5106 1 8 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.055 3.086 17918 5107 1 8 . 1 1 101 101 ILE CB C 104 38.970 38.970 38.161 0.809 17918 5108 1 8 . 1 1 101 101 ILE H H 104 8.199 8.199 8.222 -0.023 17918 5109 1 8 . 1 1 102 102 VAL N N 105 130.676 130.676 128.221 2.455 17918 5110 1 8 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.431 -0.074 17918 5111 1 8 . 1 1 102 102 VAL C C 105 175.118 175.118 174.647 0.471 17918 5112 1 8 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.181 0.626 17918 5113 1 8 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.199 3.184 17918 5114 1 8 . 1 1 102 102 VAL H H 105 9.285 9.285 9.073 0.212 17918 5115 1 8 . 1 1 103 103 GLN N N 106 128.464 128.464 126.848 1.616 17918 5116 1 8 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.694 0.755 17918 5117 1 8 . 1 1 103 103 GLN C C 106 176.704 176.704 175.852 0.852 17918 5118 1 8 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.795 -0.735 17918 5119 1 8 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.195 1.837 17918 5120 1 8 . 1 1 103 103 GLN H H 106 8.900 8.900 8.913 -0.013 17918 5121 1 8 . 1 1 104 104 THR N N 107 116.680 116.680 120.085 -3.405 17918 5122 1 8 . 1 1 104 104 THR HA H 107 4.978 4.978 4.804 0.174 17918 5123 1 8 . 1 1 104 104 THR C C 107 177.189 177.189 174.664 2.525 17918 5124 1 8 . 1 1 104 104 THR CA C 107 61.836 61.836 59.676 2.160 17918 5125 1 8 . 1 1 104 104 THR CB C 107 73.663 73.663 70.488 3.175 17918 5126 1 8 . 1 1 104 104 THR H H 107 9.275 9.275 9.008 0.267 17918 5127 1 8 . 1 1 105 105 ASP N N 108 119.651 119.651 120.499 -0.848 17918 5128 1 8 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.383 0.195 17918 5129 1 8 . 1 1 105 105 ASP C C 108 179.034 179.034 176.986 2.048 17918 5130 1 8 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.766 1.189 17918 5131 1 8 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.608 1.408 17918 5132 1 8 . 1 1 105 105 ASP H H 108 8.945 8.945 8.841 0.104 17918 5133 1 8 . 1 1 106 106 SER N N 109 114.257 114.257 114.020 0.237 17918 5134 1 8 . 1 1 106 106 SER HA H 109 4.642 4.642 4.304 0.338 17918 5135 1 8 . 1 1 106 106 SER C C 109 177.224 177.224 174.155 3.069 17918 5136 1 8 . 1 1 106 106 SER CA C 109 62.788 62.788 59.978 2.810 17918 5137 1 8 . 1 1 106 106 SER CB C 109 64.767 64.767 63.367 1.400 17918 5138 1 8 . 1 1 106 106 SER H H 109 8.968 8.968 8.314 0.654 17918 5139 1 8 . 1 1 107 107 GLY N N 110 111.288 111.288 106.674 4.614 17918 5140 1 8 . 1 1 107 107 GLY C C 110 169.468 169.468 172.375 -2.907 17918 5141 1 8 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.020 1.678 17918 5142 1 8 . 1 1 107 107 GLY H H 110 7.829 7.829 7.772 0.057 17918 5143 1 8 . 1 1 108 108 LEU N N 111 122.506 122.506 121.065 1.441 17918 5144 1 8 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.183 0.188 17918 5145 1 8 . 1 1 108 108 LEU C C 111 175.948 175.948 175.598 0.350 17918 5146 1 8 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.016 0.260 17918 5147 1 8 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.279 0.496 17918 5148 1 8 . 1 1 108 108 LEU H H 111 8.143 8.143 8.694 -0.551 17918 5149 1 8 . 1 1 109 109 HIS N N 112 119.518 119.518 121.807 -2.289 17918 5150 1 8 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.929 0.166 17918 5151 1 8 . 1 1 109 109 HIS C C 112 179.186 179.186 174.766 4.420 17918 5152 1 8 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.747 0.633 17918 5153 1 8 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.690 0.148 17918 5154 1 8 . 1 1 109 109 HIS H H 112 9.764 9.764 9.296 0.468 17918 5155 1 8 . 1 1 110 110 ILE N N 113 113.128 113.128 118.996 -5.868 17918 5156 1 8 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.765 -0.306 17918 5157 1 8 . 1 1 110 110 ILE C C 113 176.666 176.666 174.069 2.597 17918 5158 1 8 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.102 4.335 17918 5159 1 8 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.528 2.208 17918 5160 1 8 . 1 1 110 110 ILE H H 113 8.117 8.117 8.367 -0.250 17918 5161 1 8 . 1 1 111 111 ILE N N 114 125.121 125.121 122.614 2.507 17918 5162 1 8 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.319 -0.549 17918 5163 1 8 . 1 1 111 111 ILE C C 114 173.792 173.792 174.843 -1.051 17918 5164 1 8 . 1 1 111 111 ILE CA C 114 61.984 61.984 60.055 1.929 17918 5165 1 8 . 1 1 111 111 ILE CB C 114 43.683 43.683 41.964 1.719 17918 5166 1 8 . 1 1 111 111 ILE H H 114 8.604 8.604 8.678 -0.074 17918 5167 1 8 . 1 1 112 112 LYS N N 115 127.966 127.966 125.319 2.647 17918 5168 1 8 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.391 -0.218 17918 5169 1 8 . 1 1 112 112 LYS C C 115 177.267 177.267 175.089 2.178 17918 5170 1 8 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.225 0.150 17918 5171 1 8 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.205 0.308 17918 5172 1 8 . 1 1 112 112 LYS H H 115 9.075 9.075 9.042 0.033 17918 5173 1 8 . 1 1 113 113 ARG N N 116 126.762 126.762 123.487 3.275 17918 5174 1 8 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.239 0.096 17918 5175 1 8 . 1 1 113 113 ARG C C 116 176.109 176.109 176.071 0.038 17918 5176 1 8 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.967 1.856 17918 5177 1 8 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.278 0.579 17918 5178 1 8 . 1 1 113 113 ARG H H 116 7.830 7.830 8.669 -0.839 17918 5179 1 8 . 1 1 114 114 LEU N N 117 128.545 128.545 127.691 0.854 17918 5180 1 8 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.644 -0.021 17918 5181 1 8 . 1 1 114 114 LEU C C 117 176.857 176.857 175.684 1.173 17918 5182 1 8 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.891 1.101 17918 5183 1 8 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.687 1.452 17918 5184 1 8 . 1 1 114 114 LEU H H 117 8.534 8.534 8.861 -0.327 17918 5185 1 9 . 1 1 2 2 SER N N 5 117.478 117.478 117.000 0.478 17918 5186 1 9 . 1 1 2 2 SER HA H 5 4.393 4.393 4.329 0.064 17918 5187 1 9 . 1 1 2 2 SER C C 5 175.466 175.466 174.715 0.751 17918 5188 1 9 . 1 1 2 2 SER CA C 5 59.622 59.622 58.798 0.824 17918 5189 1 9 . 1 1 2 2 SER CB C 5 64.896 64.896 63.233 1.664 17918 5190 1 9 . 1 1 2 2 SER H H 5 8.317 8.317 8.149 0.168 17918 5191 1 9 . 1 1 3 3 GLU N N 6 123.783 123.783 120.054 3.729 17918 5192 1 9 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.071 0.207 17918 5193 1 9 . 1 1 3 3 GLU C C 6 177.189 177.189 175.885 1.304 17918 5194 1 9 . 1 1 3 3 GLU CA C 6 57.791 57.791 57.992 -0.201 17918 5195 1 9 . 1 1 3 3 GLU CB C 6 31.568 31.568 29.508 2.060 17918 5196 1 9 . 1 1 3 3 GLU H H 6 8.359 8.359 8.287 0.072 17918 5197 1 9 . 1 1 4 4 LYS N N 7 122.875 122.875 117.710 5.165 17918 5198 1 9 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.265 0.249 17918 5199 1 9 . 1 1 4 4 LYS C C 7 176.557 176.557 175.069 1.488 17918 5200 1 9 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.780 0.046 17918 5201 1 9 . 1 1 4 4 LYS CB C 7 35.393 35.393 32.070 3.323 17918 5202 1 9 . 1 1 4 4 LYS H H 7 8.193 8.193 8.625 -0.432 17918 5203 1 9 . 1 1 5 5 LEU N N 8 123.258 123.258 122.128 1.130 17918 5204 1 9 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.833 -0.439 17918 5205 1 9 . 1 1 5 5 LEU C C 8 175.699 175.699 173.375 2.324 17918 5206 1 9 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.526 1.016 17918 5207 1 9 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.875 -0.363 17918 5208 1 9 . 1 1 5 5 LEU H H 8 8.265 8.265 9.084 -0.819 17918 5209 1 9 . 1 1 6 6 ARG N N 9 117.197 117.197 120.521 -3.324 17918 5210 1 9 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.607 0.997 17918 5211 1 9 . 1 1 6 6 ARG C C 9 175.633 175.633 173.298 2.335 17918 5212 1 9 . 1 1 6 6 ARG CA C 9 57.175 57.175 54.970 2.205 17918 5213 1 9 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.117 2.303 17918 5214 1 9 . 1 1 6 6 ARG H H 9 7.759 7.759 8.477 -0.718 17918 5215 1 9 . 1 1 7 7 ALA N N 10 126.954 126.954 127.617 -0.663 17918 5216 1 9 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.011 0.129 17918 5217 1 9 . 1 1 7 7 ALA C C 10 174.004 174.004 175.004 -1.000 17918 5218 1 9 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.421 0.446 17918 5219 1 9 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.838 2.169 17918 5220 1 9 . 1 1 7 7 ALA H H 10 7.637 7.637 8.387 -0.750 17918 5221 1 9 . 1 1 8 8 ALA N N 11 122.081 122.081 124.224 -2.143 17918 5222 1 9 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.610 1.180 17918 5223 1 9 . 1 1 8 8 ALA C C 11 177.446 177.446 175.233 2.213 17918 5224 1 9 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.252 0.024 17918 5225 1 9 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.473 3.148 17918 5226 1 9 . 1 1 8 8 ALA H H 11 8.991 8.991 8.536 0.455 17918 5227 1 9 . 1 1 9 9 HIS N N 12 118.002 118.002 119.085 -1.083 17918 5228 1 9 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.718 0.411 17918 5229 1 9 . 1 1 9 9 HIS C C 12 172.689 172.689 172.981 -0.292 17918 5230 1 9 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.511 1.585 17918 5231 1 9 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.408 5.324 17918 5232 1 9 . 1 1 9 9 HIS H H 12 9.489 9.489 7.931 1.558 17918 5233 1 9 . 1 1 10 10 LEU N N 13 126.276 126.276 120.152 6.124 17918 5234 1 9 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.952 -1.046 17918 5235 1 9 . 1 1 10 10 LEU C C 13 174.163 174.163 174.241 -0.078 17918 5236 1 9 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.706 2.997 17918 5237 1 9 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.427 -0.860 17918 5238 1 9 . 1 1 10 10 LEU H H 13 8.866 8.866 9.197 -0.331 17918 5239 1 9 . 1 1 11 11 LEU N N 14 127.134 127.134 125.572 1.562 17918 5240 1 9 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.349 -0.611 17918 5241 1 9 . 1 1 11 11 LEU C C 14 175.626 175.626 174.618 1.008 17918 5242 1 9 . 1 1 11 11 LEU CA C 14 53.603 53.603 52.937 0.666 17918 5243 1 9 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.877 0.818 17918 5244 1 9 . 1 1 11 11 LEU H H 14 7.762 7.762 8.461 -0.699 17918 5245 1 9 . 1 1 12 12 VAL N N 15 129.450 129.450 127.999 1.451 17918 5246 1 9 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.658 -0.248 17918 5247 1 9 . 1 1 12 12 VAL C C 15 177.055 177.055 174.872 2.183 17918 5248 1 9 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.241 1.600 17918 5249 1 9 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.782 0.607 17918 5250 1 9 . 1 1 12 12 VAL H H 15 9.667 9.667 9.108 0.559 17918 5251 1 9 . 1 1 13 13 LYS N N 16 127.188 127.188 128.257 -1.069 17918 5252 1 9 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.569 -0.087 17918 5253 1 9 . 1 1 13 13 LYS C C 16 176.034 176.034 175.618 0.416 17918 5254 1 9 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.429 2.737 17918 5255 1 9 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.320 4.474 17918 5256 1 9 . 1 1 13 13 LYS H H 16 9.138 9.138 9.814 -0.676 17918 5257 1 9 . 1 1 14 14 PHE N N 17 117.138 117.138 121.996 -4.858 17918 5258 1 9 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.069 0.185 17918 5259 1 9 . 1 1 14 14 PHE C C 17 176.588 176.588 176.816 -0.228 17918 5260 1 9 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.094 2.494 17918 5261 1 9 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.178 0.181 17918 5262 1 9 . 1 1 14 14 PHE H H 17 8.617 8.617 8.262 0.355 17918 5263 1 9 . 1 1 15 15 SER N N 18 120.047 120.047 118.322 1.725 17918 5264 1 9 . 1 1 15 15 SER HA H 18 4.019 4.019 4.276 -0.257 17918 5265 1 9 . 1 1 15 15 SER C C 18 180.099 180.099 175.865 4.234 17918 5266 1 9 . 1 1 15 15 SER CA C 18 62.865 62.865 61.949 0.916 17918 5267 1 9 . 1 1 15 15 SER CB C 18 64.300 64.300 62.997 1.303 17918 5268 1 9 . 1 1 15 15 SER H H 18 9.437 9.437 9.146 0.291 17918 5269 1 9 . 1 1 16 16 GLY C C 19 175.458 175.458 174.330 1.128 17918 5270 1 9 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.462 1.320 17918 5271 1 9 . 1 1 17 17 SER N N 20 120.550 120.550 114.747 5.803 17918 5272 1 9 . 1 1 17 17 SER HA H 20 3.839 3.839 3.878 -0.039 17918 5273 1 9 . 1 1 17 17 SER C C 20 174.702 174.702 174.743 -0.041 17918 5274 1 9 . 1 1 17 17 SER CA C 20 62.099 62.099 57.813 4.286 17918 5275 1 9 . 1 1 17 17 SER CB C 20 65.081 65.081 64.637 0.444 17918 5276 1 9 . 1 1 17 17 SER H H 20 7.236 7.236 7.158 0.078 17918 5277 1 9 . 1 1 18 18 ARG N N 21 123.998 123.998 119.950 4.048 17918 5278 1 9 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.015 0.048 17918 5279 1 9 . 1 1 18 18 ARG C C 21 177.005 177.005 176.597 0.408 17918 5280 1 9 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.604 0.991 17918 5281 1 9 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.764 -0.658 17918 5282 1 9 . 1 1 18 18 ARG H H 21 8.544 8.544 8.070 0.474 17918 5283 1 9 . 1 1 19 19 ASN N N 22 116.403 116.403 114.306 2.097 17918 5284 1 9 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.042 0.222 17918 5285 1 9 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.529 0.291 17918 5286 1 9 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.739 0.757 17918 5287 1 9 . 1 1 19 19 ASN H H 22 8.412 8.412 7.757 0.655 17918 5288 1 9 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.696 -0.358 17918 5289 1 9 . 1 1 20 20 PRO C C 23 176.381 176.381 175.467 0.914 17918 5290 1 9 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.185 2.379 17918 5291 1 9 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.285 -0.975 17918 5292 1 9 . 1 1 21 21 VAL N N 24 126.905 126.905 118.250 8.655 17918 5293 1 9 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.311 0.037 17918 5294 1 9 . 1 1 21 21 VAL C C 24 176.393 176.393 173.605 2.788 17918 5295 1 9 . 1 1 21 21 VAL CA C 24 62.839 62.839 60.181 2.658 17918 5296 1 9 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.939 0.047 17918 5297 1 9 . 1 1 21 21 VAL H H 24 8.810 8.810 7.650 1.160 17918 5298 1 9 . 1 1 22 22 SER N N 25 121.164 121.164 117.408 3.756 17918 5299 1 9 . 1 1 22 22 SER HA H 25 4.296 4.296 5.001 -0.705 17918 5300 1 9 . 1 1 22 22 SER C C 25 178.264 178.264 175.281 2.983 17918 5301 1 9 . 1 1 22 22 SER CA C 25 59.682 59.682 55.769 3.913 17918 5302 1 9 . 1 1 22 22 SER CB C 25 64.553 64.553 65.260 -0.707 17918 5303 1 9 . 1 1 22 22 SER H H 25 8.657 8.657 7.971 0.686 17918 5304 1 9 . 1 1 23 23 ARG N N 26 129.578 129.578 125.389 4.189 17918 5305 1 9 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.094 0.250 17918 5306 1 9 . 1 1 23 23 ARG C C 26 176.541 176.541 177.862 -1.321 17918 5307 1 9 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.514 0.746 17918 5308 1 9 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.618 0.264 17918 5309 1 9 . 1 1 23 23 ARG H H 26 8.837 8.837 9.489 -0.652 17918 5310 1 9 . 1 1 24 24 ARG N N 27 119.514 119.514 117.187 2.327 17918 5311 1 9 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.236 -0.446 17918 5312 1 9 . 1 1 24 24 ARG C C 27 177.905 177.905 177.750 0.155 17918 5313 1 9 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.451 0.365 17918 5314 1 9 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.513 2.551 17918 5315 1 9 . 1 1 24 24 ARG H H 27 7.439 7.439 7.762 -0.323 17918 5316 1 9 . 1 1 25 25 THR N N 28 127.221 127.221 108.412 18.809 17918 5317 1 9 . 1 1 25 25 THR HA H 28 4.258 4.258 4.459 -0.201 17918 5318 1 9 . 1 1 25 25 THR C C 28 177.078 177.078 176.120 0.958 17918 5319 1 9 . 1 1 25 25 THR CA C 28 62.291 62.291 62.098 0.193 17918 5320 1 9 . 1 1 25 25 THR CB C 28 71.224 71.224 70.916 0.308 17918 5321 1 9 . 1 1 25 25 THR H H 28 7.088 7.088 7.426 -0.338 17918 5322 1 9 . 1 1 26 26 GLY N N 29 110.483 110.483 112.154 -1.671 17918 5323 1 9 . 1 1 26 26 GLY C C 29 174.471 174.471 173.480 0.991 17918 5324 1 9 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.555 0.914 17918 5325 1 9 . 1 1 26 26 GLY H H 29 7.678 7.678 8.627 -0.949 17918 5326 1 9 . 1 1 27 27 ASP N N 30 120.302 120.302 119.561 0.741 17918 5327 1 9 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.657 0.106 17918 5328 1 9 . 1 1 27 27 ASP C C 30 177.147 177.147 174.774 2.373 17918 5329 1 9 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.361 0.402 17918 5330 1 9 . 1 1 27 27 ASP CB C 30 42.950 42.950 41.563 1.387 17918 5331 1 9 . 1 1 27 27 ASP H H 30 8.128 8.128 8.109 0.019 17918 5332 1 9 . 1 1 28 28 SER N N 31 113.726 113.726 113.588 0.138 17918 5333 1 9 . 1 1 28 28 SER HA H 31 4.629 4.629 5.071 -0.442 17918 5334 1 9 . 1 1 28 28 SER C C 31 178.127 178.127 173.057 5.070 17918 5335 1 9 . 1 1 28 28 SER CA C 31 58.869 58.869 57.716 1.153 17918 5336 1 9 . 1 1 28 28 SER CB C 31 64.796 64.796 66.874 -2.078 17918 5337 1 9 . 1 1 28 28 SER H H 31 8.633 8.633 7.708 0.925 17918 5338 1 9 . 1 1 29 29 THR N N 32 120.655 120.655 115.231 5.424 17918 5339 1 9 . 1 1 29 29 THR HA H 32 4.589 4.589 4.576 0.013 17918 5340 1 9 . 1 1 29 29 THR C C 32 176.368 176.368 173.816 2.552 17918 5341 1 9 . 1 1 29 29 THR CA C 32 62.892 62.892 62.328 0.564 17918 5342 1 9 . 1 1 29 29 THR CB C 32 69.624 69.624 68.902 0.722 17918 5343 1 9 . 1 1 29 29 THR H H 32 8.397 8.397 8.542 -0.145 17918 5344 1 9 . 1 1 30 30 ALA N N 33 124.923 124.923 123.392 1.531 17918 5345 1 9 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.392 -0.597 17918 5346 1 9 . 1 1 30 30 ALA C C 33 177.708 177.708 176.589 1.119 17918 5347 1 9 . 1 1 30 30 ALA CA C 33 55.828 55.828 53.130 2.698 17918 5348 1 9 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.105 1.744 17918 5349 1 9 . 1 1 30 30 ALA H H 33 8.251 8.251 8.425 -0.174 17918 5350 1 9 . 1 1 31 31 ASP N N 34 114.016 114.016 117.355 -3.339 17918 5351 1 9 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.703 0.028 17918 5352 1 9 . 1 1 31 31 ASP C C 34 176.973 176.973 175.906 1.067 17918 5353 1 9 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.661 -0.080 17918 5354 1 9 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.161 -0.261 17918 5355 1 9 . 1 1 31 31 ASP H H 34 8.398 8.398 8.136 0.262 17918 5356 1 9 . 1 1 32 32 VAL N N 35 123.637 123.637 119.520 4.117 17918 5357 1 9 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.491 -0.231 17918 5358 1 9 . 1 1 32 32 VAL C C 35 177.725 177.725 173.856 3.869 17918 5359 1 9 . 1 1 32 32 VAL CA C 35 63.492 63.492 59.679 3.812 17918 5360 1 9 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.644 -0.887 17918 5361 1 9 . 1 1 32 32 VAL H H 35 7.323 7.323 7.376 -0.053 17918 5362 1 9 . 1 1 33 33 THR N N 36 121.552 121.552 115.679 5.873 17918 5363 1 9 . 1 1 33 33 THR HA H 36 4.642 4.642 4.839 -0.197 17918 5364 1 9 . 1 1 33 33 THR C C 36 176.268 176.268 175.704 0.564 17918 5365 1 9 . 1 1 33 33 THR CA C 36 62.597 62.597 59.492 3.105 17918 5366 1 9 . 1 1 33 33 THR CB C 36 72.388 72.388 71.738 0.650 17918 5367 1 9 . 1 1 33 33 THR H H 36 9.078 9.078 7.641 1.437 17918 5368 1 9 . 1 1 34 34 TYR N N 37 122.486 122.486 120.452 2.034 17918 5369 1 9 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.771 -0.337 17918 5370 1 9 . 1 1 34 34 TYR C C 37 177.216 177.216 176.338 0.878 17918 5371 1 9 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.184 1.857 17918 5372 1 9 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.677 2.817 17918 5373 1 9 . 1 1 34 34 TYR H H 37 9.247 9.247 8.712 0.535 17918 5374 1 9 . 1 1 35 35 GLU N N 38 116.626 116.626 121.141 -4.515 17918 5375 1 9 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.659 0.020 17918 5376 1 9 . 1 1 35 35 GLU C C 38 180.453 180.453 178.343 2.110 17918 5377 1 9 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.613 1.832 17918 5378 1 9 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.399 1.760 17918 5379 1 9 . 1 1 35 35 GLU H H 38 8.782 8.782 7.382 1.400 17918 5380 1 9 . 1 1 36 36 ASP N N 39 120.670 120.670 120.542 0.128 17918 5381 1 9 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.312 0.060 17918 5382 1 9 . 1 1 36 36 ASP C C 39 180.015 180.015 178.580 1.435 17918 5383 1 9 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.595 0.624 17918 5384 1 9 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.535 0.700 17918 5385 1 9 . 1 1 36 36 ASP H H 39 7.916 7.916 8.037 -0.121 17918 5386 1 9 . 1 1 37 37 ALA N N 40 126.126 126.126 122.224 3.902 17918 5387 1 9 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.059 -0.219 17918 5388 1 9 . 1 1 37 37 ALA C C 40 179.923 179.923 179.270 0.653 17918 5389 1 9 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.208 1.137 17918 5390 1 9 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.799 1.054 17918 5391 1 9 . 1 1 37 37 ALA H H 40 8.318 8.318 7.975 0.343 17918 5392 1 9 . 1 1 38 38 ILE N N 41 118.850 118.850 119.104 -0.254 17918 5393 1 9 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.606 -0.138 17918 5394 1 9 . 1 1 38 38 ILE C C 41 179.106 179.106 178.195 0.911 17918 5395 1 9 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.169 -0.791 17918 5396 1 9 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.819 -0.528 17918 5397 1 9 . 1 1 38 38 ILE H H 41 8.151 8.151 8.306 -0.155 17918 5398 1 9 . 1 1 39 39 LYS N N 42 120.585 120.585 118.210 2.375 17918 5399 1 9 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.948 0.036 17918 5400 1 9 . 1 1 39 39 LYS C C 42 180.883 180.883 179.160 1.723 17918 5401 1 9 . 1 1 39 39 LYS CA C 42 60.885 60.885 58.896 1.989 17918 5402 1 9 . 1 1 39 39 LYS CB C 42 33.541 33.541 31.547 1.994 17918 5403 1 9 . 1 1 39 39 LYS H H 42 7.519 7.519 7.960 -0.441 17918 5404 1 9 . 1 1 40 40 GLU N N 43 121.167 121.167 120.490 0.677 17918 5405 1 9 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.069 0.247 17918 5406 1 9 . 1 1 40 40 GLU C C 43 179.969 179.969 178.807 1.162 17918 5407 1 9 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.187 0.819 17918 5408 1 9 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.215 1.526 17918 5409 1 9 . 1 1 40 40 GLU H H 43 7.911 7.911 7.721 0.190 17918 5410 1 9 . 1 1 41 41 LEU N N 44 121.081 121.081 120.206 0.875 17918 5411 1 9 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.214 -0.023 17918 5412 1 9 . 1 1 41 41 LEU C C 44 180.778 180.778 179.793 0.985 17918 5413 1 9 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.479 0.454 17918 5414 1 9 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.467 1.418 17918 5415 1 9 . 1 1 41 41 LEU H H 44 8.424 8.424 7.796 0.628 17918 5416 1 9 . 1 1 42 42 GLN N N 45 121.129 121.129 119.646 1.483 17918 5417 1 9 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.113 -0.084 17918 5418 1 9 . 1 1 42 42 GLN C C 45 179.911 179.911 178.843 1.068 17918 5419 1 9 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.561 1.798 17918 5420 1 9 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.300 0.722 17918 5421 1 9 . 1 1 42 42 GLN H H 45 8.971 8.971 8.365 0.606 17918 5422 1 9 . 1 1 43 43 LYS N N 46 121.830 121.830 120.631 1.199 17918 5423 1 9 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.941 0.066 17918 5424 1 9 . 1 1 43 43 LYS C C 46 180.898 180.898 178.926 1.972 17918 5425 1 9 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.825 0.819 17918 5426 1 9 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.131 0.333 17918 5427 1 9 . 1 1 43 43 LYS H H 46 7.769 7.769 7.537 0.232 17918 5428 1 9 . 1 1 44 44 TRP N N 47 119.737 119.737 121.104 -1.367 17918 5429 1 9 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.245 -0.289 17918 5430 1 9 . 1 1 44 44 TRP C C 47 179.173 179.173 178.492 0.681 17918 5431 1 9 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.880 3.166 17918 5432 1 9 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.593 0.022 17918 5433 1 9 . 1 1 44 44 TRP H H 47 8.002 8.002 8.492 -0.490 17918 5434 1 9 . 1 1 45 45 SER N N 48 114.940 114.940 113.745 1.195 17918 5435 1 9 . 1 1 45 45 SER HA H 48 4.072 4.072 4.036 0.036 17918 5436 1 9 . 1 1 45 45 SER C C 48 178.249 178.249 177.121 1.128 17918 5437 1 9 . 1 1 45 45 SER CA C 48 63.707 63.707 61.701 2.006 17918 5438 1 9 . 1 1 45 45 SER H H 48 8.901 8.901 8.643 0.258 17918 5439 1 9 . 1 1 46 46 GLN N N 49 121.411 121.411 122.740 -1.329 17918 5440 1 9 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.056 0.141 17918 5441 1 9 . 1 1 46 46 GLN C C 49 179.809 179.809 178.057 1.752 17918 5442 1 9 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.981 0.878 17918 5443 1 9 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.703 0.489 17918 5444 1 9 . 1 1 46 46 GLN H H 49 7.950 7.950 7.729 0.221 17918 5445 1 9 . 1 1 47 47 ARG N N 50 121.809 121.809 119.707 2.102 17918 5446 1 9 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.297 -0.246 17918 5447 1 9 . 1 1 47 47 ARG C C 50 179.464 179.464 179.212 0.252 17918 5448 1 9 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.556 1.491 17918 5449 1 9 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.388 1.605 17918 5450 1 9 . 1 1 47 47 ARG H H 50 7.834 7.834 8.239 -0.405 17918 5451 1 9 . 1 1 48 48 ILE N N 51 120.569 120.569 118.354 2.215 17918 5452 1 9 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.259 0.229 17918 5453 1 9 . 1 1 48 48 ILE C C 51 181.848 181.848 177.939 3.909 17918 5454 1 9 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.494 0.069 17918 5455 1 9 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.912 2.781 17918 5456 1 9 . 1 1 48 48 ILE H H 51 8.127 8.127 8.673 -0.546 17918 5457 1 9 . 1 1 49 49 ALA N N 52 124.538 124.538 120.822 3.716 17918 5458 1 9 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.141 0.068 17918 5459 1 9 . 1 1 49 49 ALA C C 52 181.120 181.120 178.777 2.343 17918 5460 1 9 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.131 2.288 17918 5461 1 9 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.054 0.362 17918 5462 1 9 . 1 1 49 49 ALA H H 52 8.526 8.526 7.449 1.077 17918 5463 1 9 . 1 1 50 50 SER N N 53 111.097 111.097 113.794 -2.697 17918 5464 1 9 . 1 1 50 50 SER HA H 53 4.428 4.428 4.350 0.078 17918 5465 1 9 . 1 1 50 50 SER C C 53 176.608 176.608 176.210 0.398 17918 5466 1 9 . 1 1 50 50 SER CA C 53 60.248 60.248 59.398 0.850 17918 5467 1 9 . 1 1 50 50 SER CB C 53 65.098 65.098 64.483 0.615 17918 5468 1 9 . 1 1 50 50 SER H H 53 8.124 8.124 8.329 -0.205 17918 5469 1 9 . 1 1 51 51 GLY N N 54 110.581 110.581 109.395 1.186 17918 5470 1 9 . 1 1 51 51 GLY C C 54 175.699 175.699 175.016 0.683 17918 5471 1 9 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.833 1.598 17918 5472 1 9 . 1 1 51 51 GLY H H 54 7.904 7.904 8.344 -0.440 17918 5473 1 9 . 1 1 52 52 GLU N N 55 122.231 122.231 120.529 1.702 17918 5474 1 9 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.080 -0.077 17918 5475 1 9 . 1 1 52 52 GLU C C 55 177.647 177.647 176.858 0.789 17918 5476 1 9 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.676 1.412 17918 5477 1 9 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.197 1.426 17918 5478 1 9 . 1 1 52 52 GLU H H 55 8.204 8.204 8.018 0.186 17918 5479 1 9 . 1 1 53 53 VAL N N 56 111.615 111.615 111.333 0.282 17918 5480 1 9 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.513 0.066 17918 5481 1 9 . 1 1 53 53 VAL C C 56 175.225 175.225 174.546 0.679 17918 5482 1 9 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.883 -0.199 17918 5483 1 9 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.814 0.719 17918 5484 1 9 . 1 1 53 53 VAL H H 56 7.274 7.274 7.388 -0.114 17918 5485 1 9 . 1 1 54 54 SER N N 57 119.532 119.532 114.605 4.927 17918 5486 1 9 . 1 1 54 54 SER HA H 57 4.692 4.692 4.746 -0.054 17918 5487 1 9 . 1 1 54 54 SER C C 57 176.092 176.092 175.500 0.592 17918 5488 1 9 . 1 1 54 54 SER CA C 57 58.189 58.189 56.536 1.653 17918 5489 1 9 . 1 1 54 54 SER CB C 57 66.447 66.447 65.672 0.775 17918 5490 1 9 . 1 1 54 54 SER H H 57 8.637 8.637 8.104 0.533 17918 5491 1 9 . 1 1 55 55 PHE N N 58 123.609 123.609 122.491 1.118 17918 5492 1 9 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.151 -0.497 17918 5493 1 9 . 1 1 55 55 PHE C C 58 177.469 177.469 176.854 0.615 17918 5494 1 9 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.044 2.813 17918 5495 1 9 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.697 2.269 17918 5496 1 9 . 1 1 55 55 PHE H H 58 9.326 9.326 9.083 0.243 17918 5497 1 9 . 1 1 56 56 GLU N N 59 116.994 116.994 119.089 -2.095 17918 5498 1 9 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.232 -0.027 17918 5499 1 9 . 1 1 56 56 GLU C C 59 180.852 180.852 179.272 1.580 17918 5500 1 9 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.774 1.593 17918 5501 1 9 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.217 0.613 17918 5502 1 9 . 1 1 56 56 GLU H H 59 9.464 9.464 8.715 0.749 17918 5503 1 9 . 1 1 57 57 GLU N N 60 122.452 122.452 118.527 3.925 17918 5504 1 9 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.009 0.014 17918 5505 1 9 . 1 1 57 57 GLU C C 60 179.899 179.899 178.707 1.192 17918 5506 1 9 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.793 1.220 17918 5507 1 9 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.026 2.159 17918 5508 1 9 . 1 1 57 57 GLU H H 60 7.978 7.978 7.627 0.351 17918 5509 1 9 . 1 1 58 58 ALA N N 61 123.053 123.053 121.986 1.067 17918 5510 1 9 . 1 1 58 58 ALA HA H 61 3.581 3.581 2.986 0.595 17918 5511 1 9 . 1 1 58 58 ALA C C 61 179.854 179.854 178.826 1.028 17918 5512 1 9 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.484 1.397 17918 5513 1 9 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.607 2.453 17918 5514 1 9 . 1 1 58 58 ALA H H 61 8.157 8.157 7.242 0.915 17918 5515 1 9 . 1 1 59 59 ALA N N 62 120.029 120.029 121.056 -1.027 17918 5516 1 9 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.893 -0.341 17918 5517 1 9 . 1 1 59 59 ALA C C 62 181.080 181.080 179.931 1.149 17918 5518 1 9 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.992 1.426 17918 5519 1 9 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.467 -0.425 17918 5520 1 9 . 1 1 59 59 ALA H H 62 8.540 8.540 8.429 0.111 17918 5521 1 9 . 1 1 60 60 SER N N 63 113.010 113.010 111.406 1.604 17918 5522 1 9 . 1 1 60 60 SER HA H 63 4.766 4.766 4.415 0.351 17918 5523 1 9 . 1 1 60 60 SER C C 63 176.299 176.299 175.901 0.398 17918 5524 1 9 . 1 1 60 60 SER CA C 63 62.414 62.414 61.217 1.197 17918 5525 1 9 . 1 1 60 60 SER CB C 63 64.687 64.687 63.261 1.426 17918 5526 1 9 . 1 1 60 60 SER H H 63 8.013 8.013 8.071 -0.058 17918 5527 1 9 . 1 1 61 61 GLN N N 64 115.830 115.830 116.597 -0.767 17918 5528 1 9 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.427 -0.297 17918 5529 1 9 . 1 1 61 61 GLN C C 64 178.579 178.579 177.087 1.492 17918 5530 1 9 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.551 0.815 17918 5531 1 9 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.770 1.606 17918 5532 1 9 . 1 1 61 61 GLN H H 64 7.496 7.496 7.433 0.063 17918 5533 1 9 . 1 1 62 62 ARG N N 65 115.716 115.716 117.197 -1.481 17918 5534 1 9 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.436 0.025 17918 5535 1 9 . 1 1 62 62 ARG C C 65 176.601 176.601 176.840 -0.239 17918 5536 1 9 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.178 -2.546 17918 5537 1 9 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.886 1.770 17918 5538 1 9 . 1 1 62 62 ARG H H 65 7.693 7.693 8.421 -0.728 17918 5539 1 9 . 1 1 63 63 SER N N 66 114.680 114.680 115.619 -0.939 17918 5540 1 9 . 1 1 63 63 SER HA H 66 4.222 4.222 4.644 -0.422 17918 5541 1 9 . 1 1 63 63 SER C C 66 177.034 177.034 175.329 1.705 17918 5542 1 9 . 1 1 63 63 SER CA C 66 59.677 59.677 58.387 1.290 17918 5543 1 9 . 1 1 63 63 SER CB C 66 65.786 65.786 63.074 2.712 17918 5544 1 9 . 1 1 63 63 SER H H 66 8.528 8.528 7.702 0.826 17918 5545 1 9 . 1 1 64 64 ASP N N 67 123.612 123.612 124.006 -0.394 17918 5546 1 9 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.386 0.513 17918 5547 1 9 . 1 1 64 64 ASP C C 67 176.674 176.674 176.638 0.036 17918 5548 1 9 . 1 1 64 64 ASP CA C 67 55.991 55.991 55.944 0.047 17918 5549 1 9 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.801 2.856 17918 5550 1 9 . 1 1 64 64 ASP H H 67 9.645 9.645 9.040 0.606 17918 5551 1 9 . 1 1 65 65 CYS N N 68 124.716 124.716 117.388 7.328 17918 5552 1 9 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.541 -0.096 17918 5553 1 9 . 1 1 65 65 CYS C C 68 177.747 177.747 176.918 0.829 17918 5554 1 9 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.218 1.900 17918 5555 1 9 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.909 0.550 17918 5556 1 9 . 1 1 65 65 CYS H H 68 7.903 7.903 7.659 0.244 17918 5557 1 9 . 1 1 66 66 GLY N N 69 118.503 118.503 111.615 6.888 17918 5558 1 9 . 1 1 66 66 GLY C C 69 175.872 175.872 175.647 0.225 17918 5559 1 9 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.236 1.706 17918 5560 1 9 . 1 1 66 66 GLY H H 69 8.811 8.811 8.990 -0.179 17918 5561 1 9 . 1 1 67 67 SER N N 70 120.316 120.316 117.535 2.781 17918 5562 1 9 . 1 1 67 67 SER HA H 70 4.245 4.245 4.104 0.141 17918 5563 1 9 . 1 1 67 67 SER C C 70 178.404 178.404 175.898 2.506 17918 5564 1 9 . 1 1 67 67 SER CA C 70 61.611 61.611 60.324 1.287 17918 5565 1 9 . 1 1 67 67 SER CB C 70 64.297 64.297 62.466 1.831 17918 5566 1 9 . 1 1 67 67 SER H H 70 9.556 9.556 7.797 1.759 17918 5567 1 9 . 1 1 68 68 TYR N N 71 129.376 129.376 121.492 7.884 17918 5568 1 9 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.400 -0.369 17918 5569 1 9 . 1 1 68 68 TYR C C 71 177.613 177.613 176.784 0.829 17918 5570 1 9 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.515 2.877 17918 5571 1 9 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.587 0.210 17918 5572 1 9 . 1 1 68 68 TYR H H 71 8.584 8.584 8.315 0.269 17918 5573 1 9 . 1 1 69 69 ALA N N 72 122.673 122.673 119.715 2.958 17918 5574 1 9 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.835 -0.190 17918 5575 1 9 . 1 1 69 69 ALA C C 72 179.011 179.011 178.338 0.673 17918 5576 1 9 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.328 0.962 17918 5577 1 9 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.109 1.012 17918 5578 1 9 . 1 1 69 69 ALA H H 72 5.645 5.645 7.007 -1.362 17918 5579 1 9 . 1 1 70 70 SER N N 73 114.496 114.496 113.018 1.478 17918 5580 1 9 . 1 1 70 70 SER HA H 73 4.782 4.782 4.480 0.302 17918 5581 1 9 . 1 1 70 70 SER C C 73 177.320 177.320 175.014 2.306 17918 5582 1 9 . 1 1 70 70 SER CA C 73 57.287 57.287 58.099 -0.812 17918 5583 1 9 . 1 1 70 70 SER CB C 73 64.538 64.538 64.499 0.039 17918 5584 1 9 . 1 1 70 70 SER H H 73 7.654 7.654 7.436 0.218 17918 5585 1 9 . 1 1 71 71 GLY N N 74 112.182 112.182 108.064 4.118 17918 5586 1 9 . 1 1 71 71 GLY C C 74 174.379 174.379 174.730 -0.351 17918 5587 1 9 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.385 3.049 17918 5588 1 9 . 1 1 71 71 GLY H H 74 7.933 7.933 7.484 0.449 17918 5589 1 9 . 1 1 72 72 GLY N N 75 126.463 126.463 107.395 19.068 17918 5590 1 9 . 1 1 72 72 GLY C C 75 175.121 175.121 172.561 2.560 17918 5591 1 9 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.499 0.573 17918 5592 1 9 . 1 1 72 72 GLY H H 75 7.994 7.994 8.210 -0.216 17918 5593 1 9 . 1 1 73 73 ASP N N 76 118.815 118.815 119.552 -0.737 17918 5594 1 9 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.423 -0.009 17918 5595 1 9 . 1 1 73 73 ASP C C 76 177.362 177.362 174.422 2.940 17918 5596 1 9 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.556 2.567 17918 5597 1 9 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.609 -0.158 17918 5598 1 9 . 1 1 73 73 ASP H H 76 6.956 6.956 7.580 -0.624 17918 5599 1 9 . 1 1 74 74 LEU N N 77 128.720 128.720 123.386 5.334 17918 5600 1 9 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.548 -0.193 17918 5601 1 9 . 1 1 74 74 LEU C C 77 179.412 179.412 177.415 1.997 17918 5602 1 9 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.665 2.469 17918 5603 1 9 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.568 1.274 17918 5604 1 9 . 1 1 74 74 LEU H H 77 8.694 8.694 8.367 0.327 17918 5605 1 9 . 1 1 75 75 GLY N N 78 109.695 109.695 107.814 1.881 17918 5606 1 9 . 1 1 75 75 GLY C C 78 173.473 173.473 174.771 -1.298 17918 5607 1 9 . 1 1 75 75 GLY CA C 78 45.346 45.346 44.944 0.402 17918 5608 1 9 . 1 1 75 75 GLY H H 78 8.682 8.682 7.501 1.181 17918 5609 1 9 . 1 1 76 76 PHE N N 79 115.646 115.646 115.241 0.405 17918 5610 1 9 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.879 1.340 17918 5611 1 9 . 1 1 76 76 PHE C C 79 178.904 178.904 174.897 4.007 17918 5612 1 9 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.321 0.135 17918 5613 1 9 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.193 3.624 17918 5614 1 9 . 1 1 76 76 PHE H H 79 8.203 8.203 7.283 0.920 17918 5615 1 9 . 1 1 77 77 PHE N N 80 119.508 119.508 116.354 3.154 17918 5616 1 9 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.994 0.143 17918 5617 1 9 . 1 1 77 77 PHE C C 80 174.331 174.331 173.410 0.921 17918 5618 1 9 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.814 1.082 17918 5619 1 9 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.145 1.319 17918 5620 1 9 . 1 1 77 77 PHE H H 80 9.112 9.112 8.815 0.297 17918 5621 1 9 . 1 1 78 78 SER N N 81 116.578 116.578 117.049 -0.471 17918 5622 1 9 . 1 1 78 78 SER HA H 81 4.957 4.957 5.187 -0.230 17918 5623 1 9 . 1 1 78 78 SER C C 81 176.191 176.191 175.620 0.571 17918 5624 1 9 . 1 1 78 78 SER CA C 81 58.065 58.065 57.016 1.050 17918 5625 1 9 . 1 1 78 78 SER CB C 81 66.514 66.514 64.684 1.830 17918 5626 1 9 . 1 1 78 78 SER H H 81 8.930 8.930 8.462 0.468 17918 5627 1 9 . 1 1 79 79 SER N N 82 118.715 118.715 121.984 -3.269 17918 5628 1 9 . 1 1 79 79 SER HA H 82 4.420 4.420 4.256 0.164 17918 5629 1 9 . 1 1 79 79 SER C C 82 176.946 176.946 176.612 0.334 17918 5630 1 9 . 1 1 79 79 SER CA C 82 60.988 60.988 60.589 0.399 17918 5631 1 9 . 1 1 79 79 SER CB C 82 64.242 64.242 62.651 1.591 17918 5632 1 9 . 1 1 79 79 SER H H 82 8.751 8.751 8.720 0.031 17918 5633 1 9 . 1 1 80 80 GLY N N 83 117.069 117.069 109.651 7.418 17918 5634 1 9 . 1 1 80 80 GLY C C 83 175.628 175.628 173.768 1.860 17918 5635 1 9 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.261 1.371 17918 5636 1 9 . 1 1 80 80 GLY H H 83 10.009 10.009 7.982 2.027 17918 5637 1 9 . 1 1 81 81 GLU N N 84 120.322 120.322 120.812 -0.490 17918 5638 1 9 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.351 -0.120 17918 5639 1 9 . 1 1 81 81 GLU C C 84 178.456 178.456 176.619 1.837 17918 5640 1 9 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.270 3.457 17918 5641 1 9 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.424 2.297 17918 5642 1 9 . 1 1 81 81 GLU H H 84 7.812 7.812 8.343 -0.531 17918 5643 1 9 . 1 1 82 82 MET N N 85 117.156 117.156 117.071 0.085 17918 5644 1 9 . 1 1 82 82 MET HA H 85 4.569 4.569 4.684 -0.115 17918 5645 1 9 . 1 1 82 82 MET C C 85 176.991 176.991 175.623 1.368 17918 5646 1 9 . 1 1 82 82 MET CA C 85 53.174 53.174 54.009 -0.835 17918 5647 1 9 . 1 1 82 82 MET CB C 85 34.386 34.386 33.384 1.002 17918 5648 1 9 . 1 1 82 82 MET H H 85 8.601 8.601 7.601 1.000 17918 5649 1 9 . 1 1 83 83 MET N N 86 119.413 119.413 119.458 -0.045 17918 5650 1 9 . 1 1 83 83 MET HA H 86 4.273 4.273 4.599 -0.326 17918 5651 1 9 . 1 1 83 83 MET C C 86 178.979 178.979 177.727 1.252 17918 5652 1 9 . 1 1 83 83 MET CA C 86 58.320 58.320 54.487 3.833 17918 5653 1 9 . 1 1 83 83 MET CB C 86 34.339 34.339 32.623 1.716 17918 5654 1 9 . 1 1 83 83 MET H H 86 8.413 8.413 8.276 0.137 17918 5655 1 9 . 1 1 84 84 LYS N N 87 126.834 126.834 123.678 3.156 17918 5656 1 9 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.049 0.691 17918 5657 1 9 . 1 1 84 84 LYS C C 87 175.267 175.267 176.518 -1.251 17918 5658 1 9 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.681 0.780 17918 5659 1 9 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.235 1.200 17918 5660 1 9 . 1 1 84 84 LYS H H 87 9.099 9.099 8.827 0.272 17918 5661 1 9 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.599 -0.134 17918 5662 1 9 . 1 1 85 85 PRO C C 88 180.671 180.671 178.945 1.726 17918 5663 1 9 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.205 1.538 17918 5664 1 9 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.715 0.541 17918 5665 1 9 . 1 1 86 86 PHE N N 89 116.583 116.583 120.555 -3.972 17918 5666 1 9 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.141 -0.494 17918 5667 1 9 . 1 1 86 86 PHE C C 89 177.086 177.086 177.024 0.062 17918 5668 1 9 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.492 0.992 17918 5669 1 9 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.340 2.170 17918 5670 1 9 . 1 1 86 86 PHE H H 89 7.102 7.102 7.797 -0.695 17918 5671 1 9 . 1 1 87 87 GLU N N 90 120.506 120.506 120.351 0.155 17918 5672 1 9 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.731 -0.007 17918 5673 1 9 . 1 1 87 87 GLU C C 90 179.102 179.102 178.774 0.328 17918 5674 1 9 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.449 2.408 17918 5675 1 9 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.104 1.680 17918 5676 1 9 . 1 1 87 87 GLU H H 90 8.126 8.126 8.657 -0.531 17918 5677 1 9 . 1 1 88 88 ASP N N 91 118.355 118.355 118.895 -0.540 17918 5678 1 9 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.343 -0.108 17918 5679 1 9 . 1 1 88 88 ASP C C 91 180.067 180.067 178.245 1.822 17918 5680 1 9 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.388 0.916 17918 5681 1 9 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.475 0.551 17918 5682 1 9 . 1 1 88 88 ASP H H 91 9.121 9.121 8.436 0.685 17918 5683 1 9 . 1 1 89 89 ALA N N 92 121.718 121.718 121.134 0.584 17918 5684 1 9 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.117 -0.044 17918 5685 1 9 . 1 1 89 89 ALA C C 92 181.131 181.131 179.271 1.860 17918 5686 1 9 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.948 0.897 17918 5687 1 9 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.408 1.691 17918 5688 1 9 . 1 1 89 89 ALA H H 92 7.154 7.154 7.436 -0.282 17918 5689 1 9 . 1 1 90 90 VAL N N 93 117.315 117.315 118.396 -1.081 17918 5690 1 9 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.583 -0.168 17918 5691 1 9 . 1 1 90 90 VAL C C 93 178.908 178.908 177.572 1.336 17918 5692 1 9 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.852 1.902 17918 5693 1 9 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.296 1.053 17918 5694 1 9 . 1 1 90 90 VAL H H 93 7.797 7.797 6.852 0.945 17918 5695 1 9 . 1 1 91 91 ARG N N 94 116.826 116.826 119.375 -2.549 17918 5696 1 9 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.032 -0.178 17918 5697 1 9 . 1 1 91 91 ARG C C 94 177.858 177.858 177.545 0.313 17918 5698 1 9 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.681 1.784 17918 5699 1 9 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.168 0.920 17918 5700 1 9 . 1 1 91 91 ARG H H 94 8.154 8.154 8.017 0.137 17918 5701 1 9 . 1 1 92 92 ALA N N 95 118.849 118.849 122.250 -3.401 17918 5702 1 9 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.172 0.121 17918 5703 1 9 . 1 1 92 92 ALA C C 95 178.452 178.452 177.916 0.536 17918 5704 1 9 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.939 -0.462 17918 5705 1 9 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.094 1.053 17918 5706 1 9 . 1 1 92 92 ALA H H 95 7.067 7.067 7.474 -0.407 17918 5707 1 9 . 1 1 93 93 LEU N N 96 120.871 120.871 114.287 6.584 17918 5708 1 9 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.517 -0.003 17918 5709 1 9 . 1 1 93 93 LEU C C 96 179.045 179.045 175.907 3.138 17918 5710 1 9 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.274 1.889 17918 5711 1 9 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.994 1.938 17918 5712 1 9 . 1 1 93 93 LEU H H 96 7.396 7.396 7.358 0.038 17918 5713 1 9 . 1 1 94 94 LYS N N 97 121.289 121.289 119.682 1.607 17918 5714 1 9 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.478 -0.070 17918 5715 1 9 . 1 1 94 94 LYS C C 97 178.629 178.629 176.778 1.851 17918 5716 1 9 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.300 1.994 17918 5717 1 9 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.633 -1.238 17918 5718 1 9 . 1 1 94 94 LYS H H 97 8.274 8.274 8.350 -0.076 17918 5719 1 9 . 1 1 95 95 ILE N N 98 122.343 122.343 124.112 -1.769 17918 5720 1 9 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.708 -0.643 17918 5721 1 9 . 1 1 95 95 ILE C C 98 178.406 178.406 176.891 1.515 17918 5722 1 9 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.408 2.885 17918 5723 1 9 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.978 1.184 17918 5724 1 9 . 1 1 95 95 ILE H H 98 8.396 8.396 8.561 -0.165 17918 5725 1 9 . 1 1 96 96 GLY N N 99 118.074 118.074 116.119 1.955 17918 5726 1 9 . 1 1 96 96 GLY C C 99 174.605 174.605 174.086 0.519 17918 5727 1 9 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.447 1.726 17918 5728 1 9 . 1 1 96 96 GLY H H 99 8.988 8.988 8.760 0.228 17918 5729 1 9 . 1 1 97 97 ASP N N 100 121.984 121.984 122.056 -0.072 17918 5730 1 9 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.904 -0.109 17918 5731 1 9 . 1 1 97 97 ASP C C 100 175.344 175.344 175.021 0.323 17918 5732 1 9 . 1 1 97 97 ASP CA C 100 55.037 55.037 53.881 1.156 17918 5733 1 9 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.928 1.026 17918 5734 1 9 . 1 1 97 97 ASP H H 100 7.978 7.978 8.530 -0.552 17918 5735 1 9 . 1 1 98 98 ILE N N 101 117.483 117.483 120.263 -2.780 17918 5736 1 9 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.645 0.515 17918 5737 1 9 . 1 1 98 98 ILE C C 101 178.147 178.147 175.767 2.380 17918 5738 1 9 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.202 0.134 17918 5739 1 9 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.363 -0.070 17918 5740 1 9 . 1 1 98 98 ILE H H 101 8.048 8.048 8.306 -0.258 17918 5741 1 9 . 1 1 99 99 SER N N 102 126.778 126.778 124.653 2.125 17918 5742 1 9 . 1 1 99 99 SER HA H 102 4.526 4.526 4.987 -0.461 17918 5743 1 9 . 1 1 99 99 SER C C 102 172.735 172.735 173.342 -0.607 17918 5744 1 9 . 1 1 99 99 SER CA C 102 59.441 59.441 56.358 3.083 17918 5745 1 9 . 1 1 99 99 SER CB C 102 64.572 64.572 63.463 1.109 17918 5746 1 9 . 1 1 99 99 SER H H 102 9.722 9.722 9.069 0.653 17918 5747 1 9 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.539 0.280 17918 5748 1 9 . 1 1 100 100 PRO C C 103 176.647 176.647 176.795 -0.148 17918 5749 1 9 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.540 0.588 17918 5750 1 9 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.373 1.066 17918 5751 1 9 . 1 1 101 101 ILE N N 104 120.048 120.048 118.950 1.098 17918 5752 1 9 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.099 0.208 17918 5753 1 9 . 1 1 101 101 ILE C C 104 178.021 178.021 176.433 1.588 17918 5754 1 9 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.069 3.072 17918 5755 1 9 . 1 1 101 101 ILE CB C 104 38.970 38.970 38.050 0.920 17918 5756 1 9 . 1 1 101 101 ILE H H 104 8.199 8.199 8.217 -0.018 17918 5757 1 9 . 1 1 102 102 VAL N N 105 130.676 130.676 128.378 2.298 17918 5758 1 9 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.398 -0.041 17918 5759 1 9 . 1 1 102 102 VAL C C 105 175.118 175.118 174.669 0.449 17918 5760 1 9 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.193 0.614 17918 5761 1 9 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.359 3.024 17918 5762 1 9 . 1 1 102 102 VAL H H 105 9.285 9.285 8.794 0.491 17918 5763 1 9 . 1 1 103 103 GLN N N 106 128.464 128.464 127.418 1.046 17918 5764 1 9 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.613 0.836 17918 5765 1 9 . 1 1 103 103 GLN C C 106 176.704 176.704 175.771 0.933 17918 5766 1 9 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.988 -0.928 17918 5767 1 9 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.052 1.980 17918 5768 1 9 . 1 1 103 103 GLN H H 106 8.900 8.900 8.878 0.022 17918 5769 1 9 . 1 1 104 104 THR N N 107 116.680 116.680 121.172 -4.492 17918 5770 1 9 . 1 1 104 104 THR HA H 107 4.978 4.978 4.665 0.313 17918 5771 1 9 . 1 1 104 104 THR C C 107 177.189 177.189 174.510 2.679 17918 5772 1 9 . 1 1 104 104 THR CA C 107 61.836 61.836 59.759 2.077 17918 5773 1 9 . 1 1 104 104 THR CB C 107 73.663 73.663 70.348 3.315 17918 5774 1 9 . 1 1 104 104 THR H H 107 9.275 9.275 9.162 0.113 17918 5775 1 9 . 1 1 105 105 ASP N N 108 119.651 119.651 120.573 -0.922 17918 5776 1 9 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.485 0.093 17918 5777 1 9 . 1 1 105 105 ASP C C 108 179.034 179.034 176.943 2.091 17918 5778 1 9 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.459 1.496 17918 5779 1 9 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.348 1.668 17918 5780 1 9 . 1 1 105 105 ASP H H 108 8.945 8.945 8.710 0.235 17918 5781 1 9 . 1 1 106 106 SER N N 109 114.257 114.257 116.345 -2.088 17918 5782 1 9 . 1 1 106 106 SER HA H 109 4.642 4.642 4.434 0.208 17918 5783 1 9 . 1 1 106 106 SER C C 109 177.224 177.224 174.224 3.000 17918 5784 1 9 . 1 1 106 106 SER CA C 109 62.788 62.788 59.846 2.942 17918 5785 1 9 . 1 1 106 106 SER CB C 109 64.767 64.767 64.182 0.585 17918 5786 1 9 . 1 1 106 106 SER H H 109 8.968 8.968 8.453 0.515 17918 5787 1 9 . 1 1 107 107 GLY N N 110 111.288 111.288 107.224 4.064 17918 5788 1 9 . 1 1 107 107 GLY C C 110 169.468 169.468 172.082 -2.614 17918 5789 1 9 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.605 1.093 17918 5790 1 9 . 1 1 107 107 GLY H H 110 7.829 7.829 7.965 -0.136 17918 5791 1 9 . 1 1 108 108 LEU N N 111 122.506 122.506 122.201 0.305 17918 5792 1 9 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.173 0.198 17918 5793 1 9 . 1 1 108 108 LEU C C 111 175.948 175.948 175.713 0.235 17918 5794 1 9 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.153 0.124 17918 5795 1 9 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.551 1.224 17918 5796 1 9 . 1 1 108 108 LEU H H 111 8.143 8.143 8.620 -0.477 17918 5797 1 9 . 1 1 109 109 HIS N N 112 119.518 119.518 122.685 -3.167 17918 5798 1 9 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.924 0.171 17918 5799 1 9 . 1 1 109 109 HIS C C 112 179.186 179.186 174.821 4.365 17918 5800 1 9 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.804 0.576 17918 5801 1 9 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.562 0.276 17918 5802 1 9 . 1 1 109 109 HIS H H 112 9.764 9.764 9.270 0.494 17918 5803 1 9 . 1 1 110 110 ILE N N 113 113.128 113.128 119.161 -6.033 17918 5804 1 9 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.912 -0.453 17918 5805 1 9 . 1 1 110 110 ILE C C 113 176.666 176.666 174.283 2.383 17918 5806 1 9 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.939 4.498 17918 5807 1 9 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.526 2.210 17918 5808 1 9 . 1 1 110 110 ILE H H 113 8.117 8.117 8.504 -0.387 17918 5809 1 9 . 1 1 111 111 ILE N N 114 125.121 125.121 122.603 2.518 17918 5810 1 9 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.349 -0.579 17918 5811 1 9 . 1 1 111 111 ILE C C 114 173.792 173.792 174.340 -0.548 17918 5812 1 9 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.945 2.039 17918 5813 1 9 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.439 1.244 17918 5814 1 9 . 1 1 111 111 ILE H H 114 8.604 8.604 8.885 -0.281 17918 5815 1 9 . 1 1 112 112 LYS N N 115 127.966 127.966 123.284 4.682 17918 5816 1 9 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.426 -0.253 17918 5817 1 9 . 1 1 112 112 LYS C C 115 177.267 177.267 175.012 2.255 17918 5818 1 9 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.176 0.199 17918 5819 1 9 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.431 0.082 17918 5820 1 9 . 1 1 112 112 LYS H H 115 9.075 9.075 9.172 -0.097 17918 5821 1 9 . 1 1 113 113 ARG N N 116 126.762 126.762 124.105 2.657 17918 5822 1 9 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.249 0.086 17918 5823 1 9 . 1 1 113 113 ARG C C 116 176.109 176.109 175.832 0.277 17918 5824 1 9 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.213 1.610 17918 5825 1 9 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.147 0.710 17918 5826 1 9 . 1 1 113 113 ARG H H 116 7.830 7.830 8.568 -0.738 17918 5827 1 9 . 1 1 114 114 LEU N N 117 128.545 128.545 128.403 0.142 17918 5828 1 9 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.605 0.018 17918 5829 1 9 . 1 1 114 114 LEU C C 117 176.857 176.857 175.507 1.350 17918 5830 1 9 . 1 1 114 114 LEU CA C 117 55.992 55.992 55.463 0.529 17918 5831 1 9 . 1 1 114 114 LEU CB C 117 45.139 45.139 44.359 0.780 17918 5832 1 9 . 1 1 114 114 LEU H H 117 8.534 8.534 8.885 -0.351 17918 5833 1 10 . 1 1 2 2 SER N N 5 117.478 117.478 117.927 -0.449 17918 5834 1 10 . 1 1 2 2 SER HA H 5 4.393 4.393 4.157 0.236 17918 5835 1 10 . 1 1 2 2 SER C C 5 175.466 175.466 174.778 0.688 17918 5836 1 10 . 1 1 2 2 SER CA C 5 59.622 59.622 60.404 -0.782 17918 5837 1 10 . 1 1 2 2 SER CB C 5 64.896 64.896 62.982 1.914 17918 5838 1 10 . 1 1 2 2 SER H H 5 8.317 8.317 8.252 0.065 17918 5839 1 10 . 1 1 3 3 GLU N N 6 123.783 123.783 117.374 6.409 17918 5840 1 10 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.273 0.005 17918 5841 1 10 . 1 1 3 3 GLU C C 6 177.189 177.189 176.481 0.708 17918 5842 1 10 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.870 1.921 17918 5843 1 10 . 1 1 3 3 GLU CB C 6 31.568 31.568 29.411 2.157 17918 5844 1 10 . 1 1 3 3 GLU H H 6 8.359 8.359 8.236 0.123 17918 5845 1 10 . 1 1 4 4 LYS N N 7 122.875 122.875 121.213 1.662 17918 5846 1 10 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.597 -0.083 17918 5847 1 10 . 1 1 4 4 LYS C C 7 176.557 176.557 175.612 0.945 17918 5848 1 10 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.027 0.799 17918 5849 1 10 . 1 1 4 4 LYS CB C 7 35.393 35.393 33.355 2.038 17918 5850 1 10 . 1 1 4 4 LYS H H 7 8.193 8.193 7.489 0.704 17918 5851 1 10 . 1 1 5 5 LEU N N 8 123.258 123.258 123.038 0.220 17918 5852 1 10 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.821 -0.427 17918 5853 1 10 . 1 1 5 5 LEU C C 8 175.699 175.699 173.765 1.934 17918 5854 1 10 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.558 0.984 17918 5855 1 10 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.295 0.217 17918 5856 1 10 . 1 1 5 5 LEU H H 8 8.265 8.265 8.749 -0.484 17918 5857 1 10 . 1 1 6 6 ARG N N 9 117.197 117.197 119.871 -2.674 17918 5858 1 10 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.626 -0.022 17918 5859 1 10 . 1 1 6 6 ARG C C 9 175.633 175.633 173.609 2.024 17918 5860 1 10 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.118 2.057 17918 5861 1 10 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.577 2.843 17918 5862 1 10 . 1 1 6 6 ARG H H 9 7.759 7.759 8.490 -0.731 17918 5863 1 10 . 1 1 7 7 ALA N N 10 126.954 126.954 127.165 -0.211 17918 5864 1 10 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.186 -0.046 17918 5865 1 10 . 1 1 7 7 ALA C C 10 174.004 174.004 174.753 -0.749 17918 5866 1 10 . 1 1 7 7 ALA CA C 10 51.867 51.867 50.933 0.934 17918 5867 1 10 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.370 1.637 17918 5868 1 10 . 1 1 7 7 ALA H H 10 7.637 7.637 8.424 -0.787 17918 5869 1 10 . 1 1 8 8 ALA N N 11 122.081 122.081 121.715 0.366 17918 5870 1 10 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.581 1.209 17918 5871 1 10 . 1 1 8 8 ALA C C 11 177.446 177.446 174.851 2.595 17918 5872 1 10 . 1 1 8 8 ALA CA C 11 50.276 50.276 49.996 0.280 17918 5873 1 10 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.581 3.040 17918 5874 1 10 . 1 1 8 8 ALA H H 11 8.991 8.991 8.787 0.204 17918 5875 1 10 . 1 1 9 9 HIS N N 12 118.002 118.002 119.240 -1.238 17918 5876 1 10 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.705 0.424 17918 5877 1 10 . 1 1 9 9 HIS C C 12 172.689 172.689 172.833 -0.144 17918 5878 1 10 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.458 1.638 17918 5879 1 10 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.255 5.478 17918 5880 1 10 . 1 1 9 9 HIS H H 12 9.489 9.489 7.918 1.571 17918 5881 1 10 . 1 1 10 10 LEU N N 13 126.276 126.276 120.183 6.093 17918 5882 1 10 . 1 1 10 10 LEU HA H 13 3.906 3.906 5.026 -1.120 17918 5883 1 10 . 1 1 10 10 LEU C C 13 174.163 174.163 174.594 -0.431 17918 5884 1 10 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.709 2.994 17918 5885 1 10 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.382 -0.815 17918 5886 1 10 . 1 1 10 10 LEU H H 13 8.866 8.866 9.138 -0.272 17918 5887 1 10 . 1 1 11 11 LEU N N 14 127.134 127.134 126.578 0.556 17918 5888 1 10 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.403 -0.665 17918 5889 1 10 . 1 1 11 11 LEU C C 14 175.626 175.626 174.486 1.140 17918 5890 1 10 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.472 0.131 17918 5891 1 10 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.732 0.963 17918 5892 1 10 . 1 1 11 11 LEU H H 14 7.762 7.762 8.555 -0.793 17918 5893 1 10 . 1 1 12 12 VAL N N 15 129.450 129.450 127.592 1.858 17918 5894 1 10 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.376 0.034 17918 5895 1 10 . 1 1 12 12 VAL C C 15 177.055 177.055 174.729 2.326 17918 5896 1 10 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.856 1.985 17918 5897 1 10 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.791 0.598 17918 5898 1 10 . 1 1 12 12 VAL H H 15 9.667 9.667 8.869 0.798 17918 5899 1 10 . 1 1 13 13 LYS N N 16 127.188 127.188 128.943 -1.755 17918 5900 1 10 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.455 0.027 17918 5901 1 10 . 1 1 13 13 LYS C C 16 176.034 176.034 175.268 0.766 17918 5902 1 10 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.315 2.851 17918 5903 1 10 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.522 4.272 17918 5904 1 10 . 1 1 13 13 LYS H H 16 9.138 9.138 8.490 0.648 17918 5905 1 10 . 1 1 14 14 PHE N N 17 117.138 117.138 120.369 -3.231 17918 5906 1 10 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.826 0.428 17918 5907 1 10 . 1 1 14 14 PHE C C 17 176.588 176.588 176.537 0.051 17918 5908 1 10 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.597 1.990 17918 5909 1 10 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.013 0.346 17918 5910 1 10 . 1 1 14 14 PHE H H 17 8.617 8.617 7.773 0.844 17918 5911 1 10 . 1 1 15 15 SER N N 18 120.047 120.047 117.719 2.328 17918 5912 1 10 . 1 1 15 15 SER HA H 18 4.019 4.019 4.356 -0.337 17918 5913 1 10 . 1 1 15 15 SER C C 18 180.099 180.099 176.283 3.816 17918 5914 1 10 . 1 1 15 15 SER CA C 18 62.865 62.865 61.487 1.378 17918 5915 1 10 . 1 1 15 15 SER CB C 18 64.300 64.300 63.235 1.065 17918 5916 1 10 . 1 1 15 15 SER H H 18 9.437 9.437 9.097 0.340 17918 5917 1 10 . 1 1 16 16 GLY C C 19 175.458 175.458 174.732 0.726 17918 5918 1 10 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.610 1.172 17918 5919 1 10 . 1 1 17 17 SER N N 20 120.550 120.550 115.061 5.489 17918 5920 1 10 . 1 1 17 17 SER HA H 20 3.839 3.839 3.874 -0.035 17918 5921 1 10 . 1 1 17 17 SER C C 20 174.702 174.702 174.965 -0.263 17918 5922 1 10 . 1 1 17 17 SER CA C 20 62.099 62.099 57.772 4.327 17918 5923 1 10 . 1 1 17 17 SER CB C 20 65.081 65.081 64.163 0.918 17918 5924 1 10 . 1 1 17 17 SER H H 20 7.236 7.236 7.264 -0.028 17918 5925 1 10 . 1 1 18 18 ARG N N 21 123.998 123.998 118.158 5.840 17918 5926 1 10 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.150 -0.087 17918 5927 1 10 . 1 1 18 18 ARG C C 21 177.005 177.005 175.937 1.068 17918 5928 1 10 . 1 1 18 18 ARG CA C 21 59.595 59.595 57.355 2.240 17918 5929 1 10 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.506 -0.400 17918 5930 1 10 . 1 1 18 18 ARG H H 21 8.544 8.544 8.112 0.432 17918 5931 1 10 . 1 1 19 19 ASN N N 22 116.403 116.403 116.788 -0.385 17918 5932 1 10 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.952 0.312 17918 5933 1 10 . 1 1 19 19 ASN CA C 22 50.820 50.820 51.138 -0.318 17918 5934 1 10 . 1 1 19 19 ASN CB C 22 40.496 40.496 40.176 0.320 17918 5935 1 10 . 1 1 19 19 ASN H H 22 8.412 8.412 7.483 0.929 17918 5936 1 10 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.666 -0.328 17918 5937 1 10 . 1 1 20 20 PRO C C 23 176.381 176.381 175.218 1.163 17918 5938 1 10 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.636 1.928 17918 5939 1 10 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.313 -1.003 17918 5940 1 10 . 1 1 21 21 VAL N N 24 126.905 126.905 115.228 11.677 17918 5941 1 10 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.463 -0.115 17918 5942 1 10 . 1 1 21 21 VAL C C 24 176.393 176.393 174.070 2.323 17918 5943 1 10 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.448 3.391 17918 5944 1 10 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.273 0.713 17918 5945 1 10 . 1 1 21 21 VAL H H 24 8.810 8.810 7.498 1.312 17918 5946 1 10 . 1 1 22 22 SER N N 25 121.164 121.164 119.708 1.456 17918 5947 1 10 . 1 1 22 22 SER HA H 25 4.296 4.296 4.960 -0.664 17918 5948 1 10 . 1 1 22 22 SER C C 25 178.264 178.264 175.315 2.949 17918 5949 1 10 . 1 1 22 22 SER CA C 25 59.682 59.682 55.354 4.328 17918 5950 1 10 . 1 1 22 22 SER CB C 25 64.553 64.553 65.564 -1.011 17918 5951 1 10 . 1 1 22 22 SER H H 25 8.657 8.657 7.869 0.788 17918 5952 1 10 . 1 1 23 23 ARG N N 26 129.578 129.578 124.448 5.130 17918 5953 1 10 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.939 0.405 17918 5954 1 10 . 1 1 23 23 ARG C C 26 176.541 176.541 177.423 -0.882 17918 5955 1 10 . 1 1 23 23 ARG CA C 26 57.260 57.260 57.804 -0.544 17918 5956 1 10 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.208 0.674 17918 5957 1 10 . 1 1 23 23 ARG H H 26 8.837 8.837 8.966 -0.129 17918 5958 1 10 . 1 1 24 24 ARG N N 27 119.514 119.514 116.333 3.181 17918 5959 1 10 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.409 -0.619 17918 5960 1 10 . 1 1 24 24 ARG C C 27 177.905 177.905 176.843 1.062 17918 5961 1 10 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.169 0.647 17918 5962 1 10 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.446 2.618 17918 5963 1 10 . 1 1 24 24 ARG H H 27 7.439 7.439 7.663 -0.224 17918 5964 1 10 . 1 1 25 25 THR N N 28 127.221 127.221 106.589 20.632 17918 5965 1 10 . 1 1 25 25 THR HA H 28 4.258 4.258 4.467 -0.209 17918 5966 1 10 . 1 1 25 25 THR C C 28 177.078 177.078 175.747 1.331 17918 5967 1 10 . 1 1 25 25 THR CA C 28 62.291 62.291 62.033 0.258 17918 5968 1 10 . 1 1 25 25 THR CB C 28 71.224 71.224 71.736 -0.512 17918 5969 1 10 . 1 1 25 25 THR H H 28 7.088 7.088 7.580 -0.492 17918 5970 1 10 . 1 1 26 26 GLY N N 29 110.483 110.483 111.457 -0.974 17918 5971 1 10 . 1 1 26 26 GLY C C 29 174.471 174.471 173.731 0.740 17918 5972 1 10 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.880 0.589 17918 5973 1 10 . 1 1 26 26 GLY H H 29 7.678 7.678 8.744 -1.066 17918 5974 1 10 . 1 1 27 27 ASP N N 30 120.302 120.302 118.725 1.577 17918 5975 1 10 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.876 -0.113 17918 5976 1 10 . 1 1 27 27 ASP C C 30 177.147 177.147 174.690 2.457 17918 5977 1 10 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.082 0.681 17918 5978 1 10 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.114 0.836 17918 5979 1 10 . 1 1 27 27 ASP H H 30 8.128 8.128 8.075 0.053 17918 5980 1 10 . 1 1 28 28 SER N N 31 113.726 113.726 113.437 0.289 17918 5981 1 10 . 1 1 28 28 SER HA H 31 4.629 4.629 4.915 -0.286 17918 5982 1 10 . 1 1 28 28 SER C C 31 178.127 178.127 173.241 4.886 17918 5983 1 10 . 1 1 28 28 SER CA C 31 58.869 58.869 57.902 0.967 17918 5984 1 10 . 1 1 28 28 SER CB C 31 64.796 64.796 66.719 -1.923 17918 5985 1 10 . 1 1 28 28 SER H H 31 8.633 8.633 7.709 0.924 17918 5986 1 10 . 1 1 29 29 THR N N 32 120.655 120.655 117.373 3.282 17918 5987 1 10 . 1 1 29 29 THR HA H 32 4.589 4.589 4.765 -0.176 17918 5988 1 10 . 1 1 29 29 THR C C 32 176.368 176.368 173.548 2.820 17918 5989 1 10 . 1 1 29 29 THR CA C 32 62.892 62.892 61.723 1.169 17918 5990 1 10 . 1 1 29 29 THR CB C 32 69.624 69.624 69.048 0.576 17918 5991 1 10 . 1 1 29 29 THR H H 32 8.397 8.397 8.981 -0.584 17918 5992 1 10 . 1 1 30 30 ALA N N 33 124.923 124.923 123.628 1.295 17918 5993 1 10 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.350 -0.555 17918 5994 1 10 . 1 1 30 30 ALA C C 33 177.708 177.708 176.570 1.138 17918 5995 1 10 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.447 3.381 17918 5996 1 10 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.863 1.986 17918 5997 1 10 . 1 1 30 30 ALA H H 33 8.251 8.251 8.528 -0.277 17918 5998 1 10 . 1 1 31 31 ASP N N 34 114.016 114.016 116.552 -2.536 17918 5999 1 10 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.628 0.103 17918 6000 1 10 . 1 1 31 31 ASP C C 34 176.973 176.973 176.589 0.384 17918 6001 1 10 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.922 0.659 17918 6002 1 10 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.283 -0.383 17918 6003 1 10 . 1 1 31 31 ASP H H 34 8.398 8.398 7.763 0.635 17918 6004 1 10 . 1 1 32 32 VAL N N 35 123.637 123.637 120.346 3.291 17918 6005 1 10 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.545 -0.285 17918 6006 1 10 . 1 1 32 32 VAL C C 35 177.725 177.725 174.535 3.190 17918 6007 1 10 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.064 3.428 17918 6008 1 10 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.603 0.154 17918 6009 1 10 . 1 1 32 32 VAL H H 35 7.323 7.323 7.396 -0.073 17918 6010 1 10 . 1 1 33 33 THR N N 36 121.552 121.552 118.648 2.904 17918 6011 1 10 . 1 1 33 33 THR HA H 36 4.642 4.642 4.825 -0.183 17918 6012 1 10 . 1 1 33 33 THR C C 36 176.268 176.268 175.730 0.538 17918 6013 1 10 . 1 1 33 33 THR CA C 36 62.597 62.597 59.940 2.657 17918 6014 1 10 . 1 1 33 33 THR CB C 36 72.388 72.388 71.410 0.978 17918 6015 1 10 . 1 1 33 33 THR H H 36 9.078 9.078 8.587 0.491 17918 6016 1 10 . 1 1 34 34 TYR N N 37 122.486 122.486 119.386 3.100 17918 6017 1 10 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.657 -0.223 17918 6018 1 10 . 1 1 34 34 TYR C C 37 177.216 177.216 177.114 0.102 17918 6019 1 10 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.480 2.561 17918 6020 1 10 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.398 3.096 17918 6021 1 10 . 1 1 34 34 TYR H H 37 9.247 9.247 8.824 0.423 17918 6022 1 10 . 1 1 35 35 GLU N N 38 116.626 116.626 119.912 -3.286 17918 6023 1 10 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.494 0.185 17918 6024 1 10 . 1 1 35 35 GLU C C 38 180.453 180.453 178.910 1.543 17918 6025 1 10 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.599 1.846 17918 6026 1 10 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.770 1.389 17918 6027 1 10 . 1 1 35 35 GLU H H 38 8.782 8.782 7.912 0.870 17918 6028 1 10 . 1 1 36 36 ASP N N 39 120.670 120.670 120.034 0.636 17918 6029 1 10 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.273 0.099 17918 6030 1 10 . 1 1 36 36 ASP C C 39 180.015 180.015 178.480 1.535 17918 6031 1 10 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.242 0.977 17918 6032 1 10 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.529 0.705 17918 6033 1 10 . 1 1 36 36 ASP H H 39 7.916 7.916 7.938 -0.022 17918 6034 1 10 . 1 1 37 37 ALA N N 40 126.126 126.126 122.937 3.189 17918 6035 1 10 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.087 -0.247 17918 6036 1 10 . 1 1 37 37 ALA C C 40 179.923 179.923 179.340 0.583 17918 6037 1 10 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.086 1.259 17918 6038 1 10 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.732 1.121 17918 6039 1 10 . 1 1 37 37 ALA H H 40 8.318 8.318 8.099 0.219 17918 6040 1 10 . 1 1 38 38 ILE N N 41 118.850 118.850 118.959 -0.109 17918 6041 1 10 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.531 -0.063 17918 6042 1 10 . 1 1 38 38 ILE C C 41 179.106 179.106 178.156 0.950 17918 6043 1 10 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.233 -0.854 17918 6044 1 10 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.828 -0.537 17918 6045 1 10 . 1 1 38 38 ILE H H 41 8.151 8.151 8.287 -0.136 17918 6046 1 10 . 1 1 39 39 LYS N N 42 120.585 120.585 118.355 2.230 17918 6047 1 10 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.836 0.148 17918 6048 1 10 . 1 1 39 39 LYS C C 42 180.883 180.883 178.681 2.202 17918 6049 1 10 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.942 0.943 17918 6050 1 10 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.006 1.535 17918 6051 1 10 . 1 1 39 39 LYS H H 42 7.519 7.519 8.316 -0.797 17918 6052 1 10 . 1 1 40 40 GLU N N 43 121.167 121.167 120.406 0.761 17918 6053 1 10 . 1 1 40 40 GLU HA H 43 4.316 4.316 3.950 0.366 17918 6054 1 10 . 1 1 40 40 GLU C C 43 179.969 179.969 178.729 1.240 17918 6055 1 10 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.319 0.687 17918 6056 1 10 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.364 1.377 17918 6057 1 10 . 1 1 40 40 GLU H H 43 7.911 7.911 7.658 0.253 17918 6058 1 10 . 1 1 41 41 LEU N N 44 121.081 121.081 120.703 0.378 17918 6059 1 10 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.224 -0.033 17918 6060 1 10 . 1 1 41 41 LEU C C 44 180.778 180.778 179.662 1.116 17918 6061 1 10 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.469 0.464 17918 6062 1 10 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.503 1.382 17918 6063 1 10 . 1 1 41 41 LEU H H 44 8.424 8.424 7.786 0.638 17918 6064 1 10 . 1 1 42 42 GLN N N 45 121.129 121.129 119.123 2.006 17918 6065 1 10 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.175 -0.146 17918 6066 1 10 . 1 1 42 42 GLN C C 45 179.911 179.911 178.982 0.929 17918 6067 1 10 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.236 2.123 17918 6068 1 10 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.275 0.747 17918 6069 1 10 . 1 1 42 42 GLN H H 45 8.971 8.971 8.302 0.669 17918 6070 1 10 . 1 1 43 43 LYS N N 46 121.830 121.830 120.901 0.929 17918 6071 1 10 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.964 0.043 17918 6072 1 10 . 1 1 43 43 LYS C C 46 180.898 180.898 178.772 2.126 17918 6073 1 10 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.665 0.979 17918 6074 1 10 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.120 0.344 17918 6075 1 10 . 1 1 43 43 LYS H H 46 7.769 7.769 7.465 0.304 17918 6076 1 10 . 1 1 44 44 TRP N N 47 119.737 119.737 121.215 -1.478 17918 6077 1 10 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.233 -0.277 17918 6078 1 10 . 1 1 44 44 TRP C C 47 179.173 179.173 178.417 0.756 17918 6079 1 10 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.639 3.407 17918 6080 1 10 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.633 -0.018 17918 6081 1 10 . 1 1 44 44 TRP H H 47 8.002 8.002 8.151 -0.149 17918 6082 1 10 . 1 1 45 45 SER N N 48 114.940 114.940 113.630 1.310 17918 6083 1 10 . 1 1 45 45 SER HA H 48 4.072 4.072 3.995 0.077 17918 6084 1 10 . 1 1 45 45 SER C C 48 178.249 178.249 177.022 1.227 17918 6085 1 10 . 1 1 45 45 SER CA C 48 63.707 63.707 61.070 2.637 17918 6086 1 10 . 1 1 45 45 SER H H 48 8.901 8.901 8.907 -0.006 17918 6087 1 10 . 1 1 46 46 GLN N N 49 121.411 121.411 122.593 -1.182 17918 6088 1 10 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.059 0.138 17918 6089 1 10 . 1 1 46 46 GLN C C 49 179.809 179.809 178.004 1.805 17918 6090 1 10 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.921 0.938 17918 6091 1 10 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.699 0.494 17918 6092 1 10 . 1 1 46 46 GLN H H 49 7.950 7.950 7.647 0.303 17918 6093 1 10 . 1 1 47 47 ARG N N 50 121.809 121.809 120.040 1.769 17918 6094 1 10 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.356 -0.305 17918 6095 1 10 . 1 1 47 47 ARG C C 50 179.464 179.464 179.305 0.159 17918 6096 1 10 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.556 1.491 17918 6097 1 10 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.491 1.502 17918 6098 1 10 . 1 1 47 47 ARG H H 50 7.834 7.834 8.174 -0.340 17918 6099 1 10 . 1 1 48 48 ILE N N 51 120.569 120.569 119.159 1.410 17918 6100 1 10 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.123 0.365 17918 6101 1 10 . 1 1 48 48 ILE C C 51 181.848 181.848 178.059 3.789 17918 6102 1 10 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.691 -0.128 17918 6103 1 10 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.877 2.816 17918 6104 1 10 . 1 1 48 48 ILE H H 51 8.127 8.127 8.734 -0.607 17918 6105 1 10 . 1 1 49 49 ALA N N 52 124.538 124.538 120.469 4.069 17918 6106 1 10 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.124 0.085 17918 6107 1 10 . 1 1 49 49 ALA C C 52 181.120 181.120 178.854 2.266 17918 6108 1 10 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.295 2.124 17918 6109 1 10 . 1 1 49 49 ALA CB C 52 19.416 19.416 18.992 0.424 17918 6110 1 10 . 1 1 49 49 ALA H H 52 8.526 8.526 7.515 1.011 17918 6111 1 10 . 1 1 50 50 SER N N 53 111.097 111.097 113.765 -2.668 17918 6112 1 10 . 1 1 50 50 SER HA H 53 4.428 4.428 4.321 0.107 17918 6113 1 10 . 1 1 50 50 SER C C 53 176.608 176.608 176.238 0.370 17918 6114 1 10 . 1 1 50 50 SER CA C 53 60.248 60.248 59.429 0.819 17918 6115 1 10 . 1 1 50 50 SER CB C 53 65.098 65.098 64.352 0.746 17918 6116 1 10 . 1 1 50 50 SER H H 53 8.124 8.124 8.329 -0.205 17918 6117 1 10 . 1 1 51 51 GLY N N 54 110.581 110.581 109.022 1.559 17918 6118 1 10 . 1 1 51 51 GLY C C 54 175.699 175.699 175.059 0.640 17918 6119 1 10 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.844 1.587 17918 6120 1 10 . 1 1 51 51 GLY H H 54 7.904 7.904 8.345 -0.441 17918 6121 1 10 . 1 1 52 52 GLU N N 55 122.231 122.231 120.523 1.708 17918 6122 1 10 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.110 -0.107 17918 6123 1 10 . 1 1 52 52 GLU C C 55 177.647 177.647 176.833 0.814 17918 6124 1 10 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.650 1.438 17918 6125 1 10 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.175 1.448 17918 6126 1 10 . 1 1 52 52 GLU H H 55 8.204 8.204 7.844 0.360 17918 6127 1 10 . 1 1 53 53 VAL N N 56 111.615 111.615 112.839 -1.224 17918 6128 1 10 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.541 0.038 17918 6129 1 10 . 1 1 53 53 VAL C C 56 175.225 175.225 174.745 0.480 17918 6130 1 10 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.797 -0.113 17918 6131 1 10 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.471 1.062 17918 6132 1 10 . 1 1 53 53 VAL H H 56 7.274 7.274 7.406 -0.132 17918 6133 1 10 . 1 1 54 54 SER N N 57 119.532 119.532 116.611 2.921 17918 6134 1 10 . 1 1 54 54 SER HA H 57 4.692 4.692 4.534 0.158 17918 6135 1 10 . 1 1 54 54 SER C C 57 176.092 176.092 175.461 0.631 17918 6136 1 10 . 1 1 54 54 SER CA C 57 58.189 58.189 57.864 0.325 17918 6137 1 10 . 1 1 54 54 SER CB C 57 66.447 66.447 64.993 1.454 17918 6138 1 10 . 1 1 54 54 SER H H 57 8.637 8.637 8.387 0.250 17918 6139 1 10 . 1 1 55 55 PHE N N 58 123.609 123.609 121.820 1.789 17918 6140 1 10 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.239 -0.585 17918 6141 1 10 . 1 1 55 55 PHE C C 58 177.469 177.469 176.968 0.501 17918 6142 1 10 . 1 1 55 55 PHE CA C 58 63.857 63.857 60.115 3.742 17918 6143 1 10 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.766 2.200 17918 6144 1 10 . 1 1 55 55 PHE H H 58 9.326 9.326 9.000 0.326 17918 6145 1 10 . 1 1 56 56 GLU N N 59 116.994 116.994 119.564 -2.570 17918 6146 1 10 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.156 0.049 17918 6147 1 10 . 1 1 56 56 GLU C C 59 180.852 180.852 179.218 1.634 17918 6148 1 10 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.850 1.517 17918 6149 1 10 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.221 0.609 17918 6150 1 10 . 1 1 56 56 GLU H H 59 9.464 9.464 8.682 0.782 17918 6151 1 10 . 1 1 57 57 GLU N N 60 122.452 122.452 118.541 3.911 17918 6152 1 10 . 1 1 57 57 GLU HA H 60 4.023 4.023 3.978 0.045 17918 6153 1 10 . 1 1 57 57 GLU C C 60 179.899 179.899 178.633 1.266 17918 6154 1 10 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.926 1.087 17918 6155 1 10 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.002 2.183 17918 6156 1 10 . 1 1 57 57 GLU H H 60 7.978 7.978 7.587 0.391 17918 6157 1 10 . 1 1 58 58 ALA N N 61 123.053 123.053 121.734 1.319 17918 6158 1 10 . 1 1 58 58 ALA HA H 61 3.581 3.581 2.930 0.651 17918 6159 1 10 . 1 1 58 58 ALA C C 61 179.854 179.854 178.876 0.978 17918 6160 1 10 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.412 1.469 17918 6161 1 10 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.515 2.546 17918 6162 1 10 . 1 1 58 58 ALA H H 61 8.157 8.157 7.071 1.086 17918 6163 1 10 . 1 1 59 59 ALA N N 62 120.029 120.029 120.883 -0.854 17918 6164 1 10 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.944 -0.392 17918 6165 1 10 . 1 1 59 59 ALA C C 62 181.080 181.080 179.991 1.089 17918 6166 1 10 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.976 1.442 17918 6167 1 10 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.502 -0.460 17918 6168 1 10 . 1 1 59 59 ALA H H 62 8.540 8.540 8.317 0.223 17918 6169 1 10 . 1 1 60 60 SER N N 63 113.010 113.010 112.737 0.273 17918 6170 1 10 . 1 1 60 60 SER HA H 63 4.766 4.766 4.346 0.420 17918 6171 1 10 . 1 1 60 60 SER C C 63 176.299 176.299 176.187 0.112 17918 6172 1 10 . 1 1 60 60 SER CA C 63 62.414 62.414 62.057 0.357 17918 6173 1 10 . 1 1 60 60 SER CB C 63 64.687 64.687 63.137 1.550 17918 6174 1 10 . 1 1 60 60 SER H H 63 8.013 8.013 8.243 -0.230 17918 6175 1 10 . 1 1 61 61 GLN N N 64 115.830 115.830 117.646 -1.816 17918 6176 1 10 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.259 -0.129 17918 6177 1 10 . 1 1 61 61 GLN C C 64 178.579 178.579 178.130 0.449 17918 6178 1 10 . 1 1 61 61 GLN CA C 64 58.366 58.366 58.381 -0.015 17918 6179 1 10 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.259 2.117 17918 6180 1 10 . 1 1 61 61 GLN H H 64 7.496 7.496 7.412 0.084 17918 6181 1 10 . 1 1 62 62 ARG N N 65 115.716 115.716 117.032 -1.316 17918 6182 1 10 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.536 -0.075 17918 6183 1 10 . 1 1 62 62 ARG C C 65 176.601 176.601 176.625 -0.024 17918 6184 1 10 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.211 -2.580 17918 6185 1 10 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.153 1.503 17918 6186 1 10 . 1 1 62 62 ARG H H 65 7.693 7.693 8.568 -0.875 17918 6187 1 10 . 1 1 63 63 SER N N 66 114.680 114.680 115.886 -1.206 17918 6188 1 10 . 1 1 63 63 SER HA H 66 4.222 4.222 4.683 -0.461 17918 6189 1 10 . 1 1 63 63 SER C C 66 177.034 177.034 175.069 1.965 17918 6190 1 10 . 1 1 63 63 SER CA C 66 59.677 59.677 58.348 1.329 17918 6191 1 10 . 1 1 63 63 SER CB C 66 65.786 65.786 63.476 2.310 17918 6192 1 10 . 1 1 63 63 SER H H 66 8.528 8.528 7.728 0.800 17918 6193 1 10 . 1 1 64 64 ASP N N 67 123.612 123.612 125.547 -1.935 17918 6194 1 10 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.405 0.494 17918 6195 1 10 . 1 1 64 64 ASP C C 67 176.674 176.674 176.611 0.063 17918 6196 1 10 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.734 -0.743 17918 6197 1 10 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.356 2.301 17918 6198 1 10 . 1 1 64 64 ASP H H 67 9.645 9.645 8.824 0.821 17918 6199 1 10 . 1 1 65 65 CYS N N 68 124.716 124.716 118.364 6.352 17918 6200 1 10 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.507 -0.062 17918 6201 1 10 . 1 1 65 65 CYS C C 68 177.747 177.747 177.145 0.602 17918 6202 1 10 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.356 0.762 17918 6203 1 10 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.396 1.062 17918 6204 1 10 . 1 1 65 65 CYS H H 68 7.903 7.903 7.713 0.190 17918 6205 1 10 . 1 1 66 66 GLY N N 69 118.503 118.503 112.278 6.225 17918 6206 1 10 . 1 1 66 66 GLY C C 69 175.872 175.872 175.327 0.545 17918 6207 1 10 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.507 1.435 17918 6208 1 10 . 1 1 66 66 GLY H H 69 8.811 8.811 9.040 -0.229 17918 6209 1 10 . 1 1 67 67 SER N N 70 120.316 120.316 117.823 2.493 17918 6210 1 10 . 1 1 67 67 SER HA H 70 4.245 4.245 4.076 0.169 17918 6211 1 10 . 1 1 67 67 SER C C 70 178.404 178.404 176.005 2.399 17918 6212 1 10 . 1 1 67 67 SER CA C 70 61.611 61.611 60.315 1.296 17918 6213 1 10 . 1 1 67 67 SER CB C 70 64.297 64.297 62.507 1.790 17918 6214 1 10 . 1 1 67 67 SER H H 70 9.556 9.556 7.818 1.738 17918 6215 1 10 . 1 1 68 68 TYR N N 71 129.376 129.376 121.683 7.693 17918 6216 1 10 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.281 -0.250 17918 6217 1 10 . 1 1 68 68 TYR C C 71 177.613 177.613 176.903 0.710 17918 6218 1 10 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.559 2.833 17918 6219 1 10 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.406 0.392 17918 6220 1 10 . 1 1 68 68 TYR H H 71 8.584 8.584 8.449 0.135 17918 6221 1 10 . 1 1 69 69 ALA N N 72 122.673 122.673 120.592 2.081 17918 6222 1 10 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.739 -0.094 17918 6223 1 10 . 1 1 69 69 ALA C C 72 179.011 179.011 178.478 0.533 17918 6224 1 10 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.746 0.544 17918 6225 1 10 . 1 1 69 69 ALA CB C 72 19.121 19.121 17.999 1.122 17918 6226 1 10 . 1 1 69 69 ALA H H 72 5.645 5.645 7.075 -1.430 17918 6227 1 10 . 1 1 70 70 SER N N 73 114.496 114.496 111.950 2.546 17918 6228 1 10 . 1 1 70 70 SER HA H 73 4.782 4.782 4.511 0.271 17918 6229 1 10 . 1 1 70 70 SER C C 73 177.320 177.320 174.198 3.122 17918 6230 1 10 . 1 1 70 70 SER CA C 73 57.287 57.287 57.249 0.038 17918 6231 1 10 . 1 1 70 70 SER CB C 73 64.538 64.538 63.981 0.557 17918 6232 1 10 . 1 1 70 70 SER H H 73 7.654 7.654 7.359 0.295 17918 6233 1 10 . 1 1 71 71 GLY N N 74 112.182 112.182 108.510 3.672 17918 6234 1 10 . 1 1 71 71 GLY C C 74 174.379 174.379 175.048 -0.669 17918 6235 1 10 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.209 3.225 17918 6236 1 10 . 1 1 71 71 GLY H H 74 7.933 7.933 7.391 0.542 17918 6237 1 10 . 1 1 72 72 GLY N N 75 126.463 126.463 108.632 17.831 17918 6238 1 10 . 1 1 72 72 GLY C C 75 175.121 175.121 172.311 2.810 17918 6239 1 10 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.183 0.889 17918 6240 1 10 . 1 1 72 72 GLY H H 75 7.994 7.994 8.417 -0.423 17918 6241 1 10 . 1 1 73 73 ASP N N 76 118.815 118.815 121.593 -2.778 17918 6242 1 10 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.522 -0.108 17918 6243 1 10 . 1 1 73 73 ASP C C 76 177.362 177.362 174.353 3.009 17918 6244 1 10 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.429 2.694 17918 6245 1 10 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.862 -0.411 17918 6246 1 10 . 1 1 73 73 ASP H H 76 6.956 6.956 7.589 -0.633 17918 6247 1 10 . 1 1 74 74 LEU N N 77 128.720 128.720 123.168 5.552 17918 6248 1 10 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.414 -0.059 17918 6249 1 10 . 1 1 74 74 LEU C C 77 179.412 179.412 177.086 2.326 17918 6250 1 10 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.340 2.795 17918 6251 1 10 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.114 1.728 17918 6252 1 10 . 1 1 74 74 LEU H H 77 8.694 8.694 7.938 0.756 17918 6253 1 10 . 1 1 75 75 GLY N N 78 109.695 109.695 107.917 1.778 17918 6254 1 10 . 1 1 75 75 GLY C C 78 173.473 173.473 174.727 -1.254 17918 6255 1 10 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.316 0.029 17918 6256 1 10 . 1 1 75 75 GLY H H 78 8.682 8.682 7.915 0.767 17918 6257 1 10 . 1 1 76 76 PHE N N 79 115.646 115.646 114.750 0.896 17918 6258 1 10 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.413 0.806 17918 6259 1 10 . 1 1 76 76 PHE C C 79 178.904 178.904 175.301 3.603 17918 6260 1 10 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.367 0.090 17918 6261 1 10 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.112 3.705 17918 6262 1 10 . 1 1 76 76 PHE H H 79 8.203 8.203 7.504 0.699 17918 6263 1 10 . 1 1 77 77 PHE N N 80 119.508 119.508 118.433 1.075 17918 6264 1 10 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.106 0.031 17918 6265 1 10 . 1 1 77 77 PHE C C 80 174.331 174.331 173.486 0.845 17918 6266 1 10 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.814 1.082 17918 6267 1 10 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.864 0.599 17918 6268 1 10 . 1 1 77 77 PHE H H 80 9.112 9.112 9.251 -0.139 17918 6269 1 10 . 1 1 78 78 SER N N 81 116.578 116.578 114.847 1.731 17918 6270 1 10 . 1 1 78 78 SER HA H 81 4.957 4.957 4.972 -0.015 17918 6271 1 10 . 1 1 78 78 SER C C 81 176.191 176.191 176.198 -0.007 17918 6272 1 10 . 1 1 78 78 SER CA C 81 58.065 58.065 56.483 1.581 17918 6273 1 10 . 1 1 78 78 SER CB C 81 66.514 66.514 66.055 0.459 17918 6274 1 10 . 1 1 78 78 SER H H 81 8.930 8.930 8.971 -0.041 17918 6275 1 10 . 1 1 79 79 SER N N 82 118.715 118.715 118.546 0.169 17918 6276 1 10 . 1 1 79 79 SER HA H 82 4.420 4.420 4.092 0.328 17918 6277 1 10 . 1 1 79 79 SER C C 82 176.946 176.946 176.227 0.719 17918 6278 1 10 . 1 1 79 79 SER CA C 82 60.988 60.988 61.090 -0.102 17918 6279 1 10 . 1 1 79 79 SER CB C 82 64.242 64.242 62.867 1.375 17918 6280 1 10 . 1 1 79 79 SER H H 82 8.751 8.751 8.500 0.251 17918 6281 1 10 . 1 1 80 80 GLY N N 83 117.069 117.069 109.337 7.732 17918 6282 1 10 . 1 1 80 80 GLY C C 83 175.628 175.628 173.305 2.323 17918 6283 1 10 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.757 1.875 17918 6284 1 10 . 1 1 80 80 GLY H H 83 10.009 10.009 8.460 1.549 17918 6285 1 10 . 1 1 81 81 GLU N N 84 120.322 120.322 122.896 -2.574 17918 6286 1 10 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.471 -0.240 17918 6287 1 10 . 1 1 81 81 GLU C C 84 178.456 178.456 176.435 2.021 17918 6288 1 10 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.980 2.747 17918 6289 1 10 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.831 1.890 17918 6290 1 10 . 1 1 81 81 GLU H H 84 7.812 7.812 8.199 -0.387 17918 6291 1 10 . 1 1 82 82 MET N N 85 117.156 117.156 115.646 1.510 17918 6292 1 10 . 1 1 82 82 MET HA H 85 4.569 4.569 4.686 -0.117 17918 6293 1 10 . 1 1 82 82 MET C C 85 176.991 176.991 175.249 1.742 17918 6294 1 10 . 1 1 82 82 MET CA C 85 53.174 53.174 53.792 -0.618 17918 6295 1 10 . 1 1 82 82 MET CB C 85 34.386 34.386 33.888 0.498 17918 6296 1 10 . 1 1 82 82 MET H H 85 8.601 8.601 7.715 0.886 17918 6297 1 10 . 1 1 83 83 MET N N 86 119.413 119.413 119.436 -0.023 17918 6298 1 10 . 1 1 83 83 MET HA H 86 4.273 4.273 4.372 -0.099 17918 6299 1 10 . 1 1 83 83 MET C C 86 178.979 178.979 177.501 1.478 17918 6300 1 10 . 1 1 83 83 MET CA C 86 58.320 58.320 55.588 2.732 17918 6301 1 10 . 1 1 83 83 MET CB C 86 34.339 34.339 32.798 1.541 17918 6302 1 10 . 1 1 83 83 MET H H 86 8.413 8.413 8.239 0.174 17918 6303 1 10 . 1 1 84 84 LYS N N 87 126.834 126.834 124.129 2.705 17918 6304 1 10 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.046 0.694 17918 6305 1 10 . 1 1 84 84 LYS C C 87 175.267 175.267 176.675 -1.408 17918 6306 1 10 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.332 1.129 17918 6307 1 10 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.879 0.556 17918 6308 1 10 . 1 1 84 84 LYS H H 87 9.099 9.099 8.845 0.254 17918 6309 1 10 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.325 0.140 17918 6310 1 10 . 1 1 85 85 PRO C C 88 180.671 180.671 178.390 2.281 17918 6311 1 10 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.402 1.341 17918 6312 1 10 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.148 1.107 17918 6313 1 10 . 1 1 86 86 PHE N N 89 116.583 116.583 119.944 -3.361 17918 6314 1 10 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.147 -0.500 17918 6315 1 10 . 1 1 86 86 PHE C C 89 177.086 177.086 177.055 0.031 17918 6316 1 10 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.096 0.388 17918 6317 1 10 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.048 2.462 17918 6318 1 10 . 1 1 86 86 PHE H H 89 7.102 7.102 7.891 -0.789 17918 6319 1 10 . 1 1 87 87 GLU N N 90 120.506 120.506 119.420 1.086 17918 6320 1 10 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.890 -0.166 17918 6321 1 10 . 1 1 87 87 GLU C C 90 179.102 179.102 178.336 0.766 17918 6322 1 10 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.738 2.119 17918 6323 1 10 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.277 1.507 17918 6324 1 10 . 1 1 87 87 GLU H H 90 8.126 8.126 8.767 -0.641 17918 6325 1 10 . 1 1 88 88 ASP N N 91 118.355 118.355 119.390 -1.035 17918 6326 1 10 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.391 -0.156 17918 6327 1 10 . 1 1 88 88 ASP C C 91 180.067 180.067 178.145 1.922 17918 6328 1 10 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.459 0.845 17918 6329 1 10 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.667 0.359 17918 6330 1 10 . 1 1 88 88 ASP H H 91 9.121 9.121 8.180 0.941 17918 6331 1 10 . 1 1 89 89 ALA N N 92 121.718 121.718 121.098 0.620 17918 6332 1 10 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.158 -0.086 17918 6333 1 10 . 1 1 89 89 ALA C C 92 181.131 181.131 179.517 1.614 17918 6334 1 10 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.623 1.222 17918 6335 1 10 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.373 1.726 17918 6336 1 10 . 1 1 89 89 ALA H H 92 7.154 7.154 7.297 -0.143 17918 6337 1 10 . 1 1 90 90 VAL N N 93 117.315 117.315 118.360 -1.045 17918 6338 1 10 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.463 -0.048 17918 6339 1 10 . 1 1 90 90 VAL C C 93 178.908 178.908 177.951 0.957 17918 6340 1 10 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.230 1.524 17918 6341 1 10 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.527 0.822 17918 6342 1 10 . 1 1 90 90 VAL H H 93 7.797 7.797 7.397 0.400 17918 6343 1 10 . 1 1 91 91 ARG N N 94 116.826 116.826 118.488 -1.662 17918 6344 1 10 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.146 -0.292 17918 6345 1 10 . 1 1 91 91 ARG C C 94 177.858 177.858 178.687 -0.829 17918 6346 1 10 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.923 1.543 17918 6347 1 10 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.454 1.634 17918 6348 1 10 . 1 1 91 91 ARG H H 94 8.154 8.154 8.072 0.082 17918 6349 1 10 . 1 1 92 92 ALA N N 95 118.849 118.849 122.743 -3.894 17918 6350 1 10 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.196 0.097 17918 6351 1 10 . 1 1 92 92 ALA C C 95 178.452 178.452 178.054 0.398 17918 6352 1 10 . 1 1 92 92 ALA CA C 95 53.477 53.477 54.020 -0.543 17918 6353 1 10 . 1 1 92 92 ALA CB C 95 20.147 20.147 18.854 1.293 17918 6354 1 10 . 1 1 92 92 ALA H H 95 7.067 7.067 7.478 -0.411 17918 6355 1 10 . 1 1 93 93 LEU N N 96 120.871 120.871 115.190 5.681 17918 6356 1 10 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.532 -0.018 17918 6357 1 10 . 1 1 93 93 LEU C C 96 179.045 179.045 175.534 3.511 17918 6358 1 10 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.614 1.549 17918 6359 1 10 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.506 2.426 17918 6360 1 10 . 1 1 93 93 LEU H H 96 7.396 7.396 7.499 -0.103 17918 6361 1 10 . 1 1 94 94 LYS N N 97 121.289 121.289 119.971 1.318 17918 6362 1 10 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.581 -0.173 17918 6363 1 10 . 1 1 94 94 LYS C C 97 178.629 178.629 176.627 2.002 17918 6364 1 10 . 1 1 94 94 LYS CA C 97 56.294 56.294 53.954 2.340 17918 6365 1 10 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.412 -1.017 17918 6366 1 10 . 1 1 94 94 LYS H H 97 8.274 8.274 8.136 0.138 17918 6367 1 10 . 1 1 95 95 ILE N N 98 122.343 122.343 123.911 -1.568 17918 6368 1 10 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.651 -0.586 17918 6369 1 10 . 1 1 95 95 ILE C C 98 178.406 178.406 177.125 1.281 17918 6370 1 10 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.621 2.673 17918 6371 1 10 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.815 1.347 17918 6372 1 10 . 1 1 95 95 ILE H H 98 8.396 8.396 8.586 -0.190 17918 6373 1 10 . 1 1 96 96 GLY N N 99 118.074 118.074 116.142 1.932 17918 6374 1 10 . 1 1 96 96 GLY C C 99 174.605 174.605 174.260 0.345 17918 6375 1 10 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.520 1.653 17918 6376 1 10 . 1 1 96 96 GLY H H 99 8.988 8.988 8.900 0.088 17918 6377 1 10 . 1 1 97 97 ASP N N 100 121.984 121.984 121.839 0.145 17918 6378 1 10 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.837 -0.042 17918 6379 1 10 . 1 1 97 97 ASP C C 100 175.344 175.344 175.160 0.184 17918 6380 1 10 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.638 0.399 17918 6381 1 10 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.444 1.509 17918 6382 1 10 . 1 1 97 97 ASP H H 100 7.978 7.978 8.601 -0.623 17918 6383 1 10 . 1 1 98 98 ILE N N 101 117.483 117.483 120.441 -2.958 17918 6384 1 10 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.595 0.565 17918 6385 1 10 . 1 1 98 98 ILE C C 101 178.147 178.147 176.143 2.004 17918 6386 1 10 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.483 0.853 17918 6387 1 10 . 1 1 98 98 ILE CB C 101 41.293 41.293 39.867 1.426 17918 6388 1 10 . 1 1 98 98 ILE H H 101 8.048 8.048 8.270 -0.222 17918 6389 1 10 . 1 1 99 99 SER N N 102 126.778 126.778 125.437 1.341 17918 6390 1 10 . 1 1 99 99 SER HA H 102 4.526 4.526 4.811 -0.285 17918 6391 1 10 . 1 1 99 99 SER C C 102 172.735 172.735 173.358 -0.623 17918 6392 1 10 . 1 1 99 99 SER CA C 102 59.441 59.441 56.701 2.740 17918 6393 1 10 . 1 1 99 99 SER CB C 102 64.572 64.572 63.222 1.349 17918 6394 1 10 . 1 1 99 99 SER H H 102 9.722 9.722 8.970 0.752 17918 6395 1 10 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.504 0.315 17918 6396 1 10 . 1 1 100 100 PRO C C 103 176.647 176.647 177.088 -0.441 17918 6397 1 10 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.682 0.446 17918 6398 1 10 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.327 1.113 17918 6399 1 10 . 1 1 101 101 ILE N N 104 120.048 120.048 120.133 -0.085 17918 6400 1 10 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.117 0.190 17918 6401 1 10 . 1 1 101 101 ILE C C 104 178.021 178.021 176.321 1.700 17918 6402 1 10 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.415 2.726 17918 6403 1 10 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.782 1.188 17918 6404 1 10 . 1 1 101 101 ILE H H 104 8.199 8.199 8.273 -0.074 17918 6405 1 10 . 1 1 102 102 VAL N N 105 130.676 130.676 129.064 1.612 17918 6406 1 10 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.354 0.003 17918 6407 1 10 . 1 1 102 102 VAL C C 105 175.118 175.118 174.820 0.298 17918 6408 1 10 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.366 0.441 17918 6409 1 10 . 1 1 102 102 VAL CB C 105 37.383 37.383 32.798 4.585 17918 6410 1 10 . 1 1 102 102 VAL H H 105 9.285 9.285 9.136 0.149 17918 6411 1 10 . 1 1 103 103 GLN N N 106 128.464 128.464 128.647 -0.183 17918 6412 1 10 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.669 0.780 17918 6413 1 10 . 1 1 103 103 GLN C C 106 176.704 176.704 175.909 0.795 17918 6414 1 10 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.592 -0.532 17918 6415 1 10 . 1 1 103 103 GLN CB C 106 31.032 31.032 28.592 2.440 17918 6416 1 10 . 1 1 103 103 GLN H H 106 8.900 8.900 8.843 0.057 17918 6417 1 10 . 1 1 104 104 THR N N 107 116.680 116.680 118.897 -2.217 17918 6418 1 10 . 1 1 104 104 THR HA H 107 4.978 4.978 4.644 0.334 17918 6419 1 10 . 1 1 104 104 THR C C 107 177.189 177.189 174.038 3.151 17918 6420 1 10 . 1 1 104 104 THR CA C 107 61.836 61.836 60.646 1.190 17918 6421 1 10 . 1 1 104 104 THR CB C 107 73.663 73.663 70.277 3.386 17918 6422 1 10 . 1 1 104 104 THR H H 107 9.275 9.275 8.764 0.511 17918 6423 1 10 . 1 1 105 105 ASP N N 108 119.651 119.651 120.608 -0.957 17918 6424 1 10 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.338 0.240 17918 6425 1 10 . 1 1 105 105 ASP C C 108 179.034 179.034 177.251 1.783 17918 6426 1 10 . 1 1 105 105 ASP CA C 108 57.955 57.955 58.230 -0.275 17918 6427 1 10 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.767 1.249 17918 6428 1 10 . 1 1 105 105 ASP H H 108 8.945 8.945 8.783 0.162 17918 6429 1 10 . 1 1 106 106 SER N N 109 114.257 114.257 113.074 1.183 17918 6430 1 10 . 1 1 106 106 SER HA H 109 4.642 4.642 4.287 0.355 17918 6431 1 10 . 1 1 106 106 SER C C 109 177.224 177.224 174.493 2.731 17918 6432 1 10 . 1 1 106 106 SER CA C 109 62.788 62.788 60.654 2.134 17918 6433 1 10 . 1 1 106 106 SER CB C 109 64.767 64.767 63.278 1.489 17918 6434 1 10 . 1 1 106 106 SER H H 109 8.968 8.968 8.385 0.583 17918 6435 1 10 . 1 1 107 107 GLY N N 110 111.288 111.288 106.878 4.410 17918 6436 1 10 . 1 1 107 107 GLY C C 110 169.468 169.468 172.314 -2.846 17918 6437 1 10 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.102 1.596 17918 6438 1 10 . 1 1 107 107 GLY H H 110 7.829 7.829 7.716 0.113 17918 6439 1 10 . 1 1 108 108 LEU N N 111 122.506 122.506 121.474 1.032 17918 6440 1 10 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.000 0.371 17918 6441 1 10 . 1 1 108 108 LEU C C 111 175.948 175.948 175.520 0.428 17918 6442 1 10 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.181 0.095 17918 6443 1 10 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.592 1.183 17918 6444 1 10 . 1 1 108 108 LEU H H 111 8.143 8.143 8.724 -0.581 17918 6445 1 10 . 1 1 109 109 HIS N N 112 119.518 119.518 123.312 -3.794 17918 6446 1 10 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.804 0.291 17918 6447 1 10 . 1 1 109 109 HIS C C 112 179.186 179.186 174.691 4.495 17918 6448 1 10 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.741 0.639 17918 6449 1 10 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.540 0.298 17918 6450 1 10 . 1 1 109 109 HIS H H 112 9.764 9.764 9.213 0.551 17918 6451 1 10 . 1 1 110 110 ILE N N 113 113.128 113.128 119.531 -6.403 17918 6452 1 10 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.829 -0.370 17918 6453 1 10 . 1 1 110 110 ILE C C 113 176.666 176.666 173.867 2.799 17918 6454 1 10 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.108 4.329 17918 6455 1 10 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.822 1.913 17918 6456 1 10 . 1 1 110 110 ILE H H 113 8.117 8.117 8.502 -0.385 17918 6457 1 10 . 1 1 111 111 ILE N N 114 125.121 125.121 121.987 3.134 17918 6458 1 10 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.363 -0.593 17918 6459 1 10 . 1 1 111 111 ILE C C 114 173.792 173.792 174.870 -1.078 17918 6460 1 10 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.678 2.306 17918 6461 1 10 . 1 1 111 111 ILE CB C 114 43.683 43.683 41.937 1.746 17918 6462 1 10 . 1 1 111 111 ILE H H 114 8.604 8.604 9.223 -0.619 17918 6463 1 10 . 1 1 112 112 LYS N N 115 127.966 127.966 123.426 4.540 17918 6464 1 10 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.419 -0.246 17918 6465 1 10 . 1 1 112 112 LYS C C 115 177.267 177.267 174.998 2.269 17918 6466 1 10 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.291 0.084 17918 6467 1 10 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.973 -0.460 17918 6468 1 10 . 1 1 112 112 LYS H H 115 9.075 9.075 9.398 -0.323 17918 6469 1 10 . 1 1 113 113 ARG N N 116 126.762 126.762 124.090 2.672 17918 6470 1 10 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.283 0.052 17918 6471 1 10 . 1 1 113 113 ARG C C 116 176.109 176.109 175.969 0.140 17918 6472 1 10 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.923 1.900 17918 6473 1 10 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.133 0.725 17918 6474 1 10 . 1 1 113 113 ARG H H 116 7.830 7.830 8.437 -0.607 17918 6475 1 10 . 1 1 114 114 LEU N N 117 128.545 128.545 128.220 0.325 17918 6476 1 10 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.683 -0.060 17918 6477 1 10 . 1 1 114 114 LEU C C 117 176.857 176.857 175.832 1.025 17918 6478 1 10 . 1 1 114 114 LEU CA C 117 55.992 55.992 55.140 0.852 17918 6479 1 10 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.457 1.682 17918 6480 1 10 . 1 1 114 114 LEU H H 117 8.534 8.534 8.893 -0.359 17918 6481 1 11 . 1 1 2 2 SER N N 5 117.478 117.478 117.228 0.250 17918 6482 1 11 . 1 1 2 2 SER HA H 5 4.393 4.393 4.270 0.123 17918 6483 1 11 . 1 1 2 2 SER C C 5 175.466 175.466 175.495 -0.029 17918 6484 1 11 . 1 1 2 2 SER CA C 5 59.622 59.622 59.581 0.041 17918 6485 1 11 . 1 1 2 2 SER CB C 5 64.896 64.896 63.103 1.793 17918 6486 1 11 . 1 1 2 2 SER H H 5 8.317 8.317 8.212 0.105 17918 6487 1 11 . 1 1 3 3 GLU N N 6 123.783 123.783 117.059 6.724 17918 6488 1 11 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.412 -0.134 17918 6489 1 11 . 1 1 3 3 GLU C C 6 177.189 177.189 175.903 1.286 17918 6490 1 11 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.733 2.058 17918 6491 1 11 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.593 0.975 17918 6492 1 11 . 1 1 3 3 GLU H H 6 8.359 8.359 8.150 0.209 17918 6493 1 11 . 1 1 4 4 LYS N N 7 122.875 122.875 121.483 1.392 17918 6494 1 11 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.918 -0.404 17918 6495 1 11 . 1 1 4 4 LYS C C 7 176.557 176.557 175.498 1.059 17918 6496 1 11 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.595 0.231 17918 6497 1 11 . 1 1 4 4 LYS CB C 7 35.393 35.393 33.217 2.176 17918 6498 1 11 . 1 1 4 4 LYS H H 7 8.193 8.193 7.924 0.269 17918 6499 1 11 . 1 1 5 5 LEU N N 8 123.258 123.258 124.048 -0.790 17918 6500 1 11 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.814 -0.420 17918 6501 1 11 . 1 1 5 5 LEU C C 8 175.699 175.699 173.510 2.189 17918 6502 1 11 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.437 1.105 17918 6503 1 11 . 1 1 5 5 LEU CB C 8 46.512 46.512 47.167 -0.655 17918 6504 1 11 . 1 1 5 5 LEU H H 8 8.265 8.265 9.218 -0.953 17918 6505 1 11 . 1 1 6 6 ARG N N 9 117.197 117.197 120.915 -3.718 17918 6506 1 11 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.327 1.277 17918 6507 1 11 . 1 1 6 6 ARG C C 9 175.633 175.633 173.360 2.273 17918 6508 1 11 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.080 2.095 17918 6509 1 11 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.708 1.712 17918 6510 1 11 . 1 1 6 6 ARG H H 9 7.759 7.759 7.850 -0.091 17918 6511 1 11 . 1 1 7 7 ALA N N 10 126.954 126.954 126.744 0.210 17918 6512 1 11 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.126 0.014 17918 6513 1 11 . 1 1 7 7 ALA C C 10 174.004 174.004 174.663 -0.659 17918 6514 1 11 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.421 0.446 17918 6515 1 11 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.153 1.854 17918 6516 1 11 . 1 1 7 7 ALA H H 10 7.637 7.637 8.471 -0.834 17918 6517 1 11 . 1 1 8 8 ALA N N 11 122.081 122.081 123.095 -1.014 17918 6518 1 11 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.660 1.130 17918 6519 1 11 . 1 1 8 8 ALA C C 11 177.446 177.446 174.926 2.520 17918 6520 1 11 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.024 0.252 17918 6521 1 11 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.747 2.874 17918 6522 1 11 . 1 1 8 8 ALA H H 11 8.991 8.991 8.721 0.270 17918 6523 1 11 . 1 1 9 9 HIS N N 12 118.002 118.002 118.628 -0.626 17918 6524 1 11 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.550 0.579 17918 6525 1 11 . 1 1 9 9 HIS C C 12 172.689 172.689 172.869 -0.180 17918 6526 1 11 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.748 1.348 17918 6527 1 11 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.159 5.573 17918 6528 1 11 . 1 1 9 9 HIS H H 12 9.489 9.489 7.911 1.578 17918 6529 1 11 . 1 1 10 10 LEU N N 13 126.276 126.276 120.471 5.805 17918 6530 1 11 . 1 1 10 10 LEU HA H 13 3.906 3.906 5.049 -1.143 17918 6531 1 11 . 1 1 10 10 LEU C C 13 174.163 174.163 174.698 -0.535 17918 6532 1 11 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.676 3.027 17918 6533 1 11 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.147 -0.580 17918 6534 1 11 . 1 1 10 10 LEU H H 13 8.866 8.866 9.276 -0.410 17918 6535 1 11 . 1 1 11 11 LEU N N 14 127.134 127.134 126.229 0.905 17918 6536 1 11 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.658 -0.920 17918 6537 1 11 . 1 1 11 11 LEU C C 14 175.626 175.626 174.824 0.802 17918 6538 1 11 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.230 0.373 17918 6539 1 11 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.805 -0.110 17918 6540 1 11 . 1 1 11 11 LEU H H 14 7.762 7.762 8.574 -0.812 17918 6541 1 11 . 1 1 12 12 VAL N N 15 129.450 129.450 127.955 1.495 17918 6542 1 11 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.690 -0.280 17918 6543 1 11 . 1 1 12 12 VAL C C 15 177.055 177.055 174.847 2.208 17918 6544 1 11 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.491 1.350 17918 6545 1 11 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.435 -0.046 17918 6546 1 11 . 1 1 12 12 VAL H H 15 9.667 9.667 8.851 0.816 17918 6547 1 11 . 1 1 13 13 LYS N N 16 127.188 127.188 127.978 -0.790 17918 6548 1 11 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.528 -0.046 17918 6549 1 11 . 1 1 13 13 LYS C C 16 176.034 176.034 175.387 0.647 17918 6550 1 11 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.173 2.993 17918 6551 1 11 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.413 4.381 17918 6552 1 11 . 1 1 13 13 LYS H H 16 9.138 9.138 9.546 -0.408 17918 6553 1 11 . 1 1 14 14 PHE N N 17 117.138 117.138 120.921 -3.783 17918 6554 1 11 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.136 0.118 17918 6555 1 11 . 1 1 14 14 PHE C C 17 176.588 176.588 176.833 -0.245 17918 6556 1 11 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.182 2.406 17918 6557 1 11 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.971 0.388 17918 6558 1 11 . 1 1 14 14 PHE H H 17 8.617 8.617 8.012 0.605 17918 6559 1 11 . 1 1 15 15 SER N N 18 120.047 120.047 116.848 3.199 17918 6560 1 11 . 1 1 15 15 SER HA H 18 4.019 4.019 4.198 -0.179 17918 6561 1 11 . 1 1 15 15 SER C C 18 180.099 180.099 176.271 3.828 17918 6562 1 11 . 1 1 15 15 SER CA C 18 62.865 62.865 61.690 1.175 17918 6563 1 11 . 1 1 15 15 SER CB C 18 64.300 64.300 63.029 1.270 17918 6564 1 11 . 1 1 15 15 SER H H 18 9.437 9.437 9.220 0.217 17918 6565 1 11 . 1 1 16 16 GLY C C 19 175.458 175.458 174.363 1.095 17918 6566 1 11 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.389 1.393 17918 6567 1 11 . 1 1 17 17 SER N N 20 120.550 120.550 114.897 5.653 17918 6568 1 11 . 1 1 17 17 SER HA H 20 3.839 3.839 3.919 -0.080 17918 6569 1 11 . 1 1 17 17 SER C C 20 174.702 174.702 174.854 -0.152 17918 6570 1 11 . 1 1 17 17 SER CA C 20 62.099 62.099 57.992 4.106 17918 6571 1 11 . 1 1 17 17 SER CB C 20 65.081 65.081 64.465 0.616 17918 6572 1 11 . 1 1 17 17 SER H H 20 7.236 7.236 7.240 -0.004 17918 6573 1 11 . 1 1 18 18 ARG N N 21 123.998 123.998 119.747 4.251 17918 6574 1 11 . 1 1 18 18 ARG HA H 21 4.063 4.063 3.996 0.067 17918 6575 1 11 . 1 1 18 18 ARG C C 21 177.005 177.005 176.590 0.415 17918 6576 1 11 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.641 0.954 17918 6577 1 11 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.705 -0.599 17918 6578 1 11 . 1 1 18 18 ARG H H 21 8.544 8.544 8.092 0.452 17918 6579 1 11 . 1 1 19 19 ASN N N 22 116.403 116.403 113.863 2.540 17918 6580 1 11 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.040 0.224 17918 6581 1 11 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.522 0.298 17918 6582 1 11 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.775 0.721 17918 6583 1 11 . 1 1 19 19 ASN H H 22 8.412 8.412 7.805 0.607 17918 6584 1 11 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.595 -0.257 17918 6585 1 11 . 1 1 20 20 PRO C C 23 176.381 176.381 175.508 0.873 17918 6586 1 11 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.444 2.120 17918 6587 1 11 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.141 -0.831 17918 6588 1 11 . 1 1 21 21 VAL N N 24 126.905 126.905 118.437 8.468 17918 6589 1 11 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.555 -0.207 17918 6590 1 11 . 1 1 21 21 VAL C C 24 176.393 176.393 173.577 2.816 17918 6591 1 11 . 1 1 21 21 VAL CA C 24 62.839 62.839 60.043 2.796 17918 6592 1 11 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.475 0.511 17918 6593 1 11 . 1 1 21 21 VAL H H 24 8.810 8.810 7.949 0.861 17918 6594 1 11 . 1 1 22 22 SER N N 25 121.164 121.164 121.083 0.081 17918 6595 1 11 . 1 1 22 22 SER HA H 25 4.296 4.296 5.021 -0.725 17918 6596 1 11 . 1 1 22 22 SER C C 25 178.264 178.264 175.129 3.135 17918 6597 1 11 . 1 1 22 22 SER CA C 25 59.682 59.682 56.653 3.029 17918 6598 1 11 . 1 1 22 22 SER CB C 25 64.553 64.553 65.901 -1.348 17918 6599 1 11 . 1 1 22 22 SER H H 25 8.657 8.657 7.905 0.752 17918 6600 1 11 . 1 1 23 23 ARG N N 26 129.578 129.578 122.593 6.985 17918 6601 1 11 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.957 0.387 17918 6602 1 11 . 1 1 23 23 ARG C C 26 176.541 176.541 178.021 -1.480 17918 6603 1 11 . 1 1 23 23 ARG CA C 26 57.260 57.260 57.045 0.215 17918 6604 1 11 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.026 0.856 17918 6605 1 11 . 1 1 23 23 ARG H H 26 8.837 8.837 9.508 -0.671 17918 6606 1 11 . 1 1 24 24 ARG N N 27 119.514 119.514 115.837 3.677 17918 6607 1 11 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.263 -0.473 17918 6608 1 11 . 1 1 24 24 ARG C C 27 177.905 177.905 177.471 0.434 17918 6609 1 11 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.486 0.330 17918 6610 1 11 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.415 2.649 17918 6611 1 11 . 1 1 24 24 ARG H H 27 7.439 7.439 7.715 -0.276 17918 6612 1 11 . 1 1 25 25 THR N N 28 127.221 127.221 107.318 19.903 17918 6613 1 11 . 1 1 25 25 THR HA H 28 4.258 4.258 4.394 -0.136 17918 6614 1 11 . 1 1 25 25 THR C C 28 177.078 177.078 176.030 1.048 17918 6615 1 11 . 1 1 25 25 THR CA C 28 62.291 62.291 62.225 0.066 17918 6616 1 11 . 1 1 25 25 THR CB C 28 71.224 71.224 71.285 -0.061 17918 6617 1 11 . 1 1 25 25 THR H H 28 7.088 7.088 7.377 -0.289 17918 6618 1 11 . 1 1 26 26 GLY N N 29 110.483 110.483 111.033 -0.550 17918 6619 1 11 . 1 1 26 26 GLY C C 29 174.471 174.471 173.578 0.893 17918 6620 1 11 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.755 0.714 17918 6621 1 11 . 1 1 26 26 GLY H H 29 7.678 7.678 8.666 -0.988 17918 6622 1 11 . 1 1 27 27 ASP N N 30 120.302 120.302 119.466 0.836 17918 6623 1 11 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.795 -0.032 17918 6624 1 11 . 1 1 27 27 ASP C C 30 177.147 177.147 174.616 2.531 17918 6625 1 11 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.148 0.615 17918 6626 1 11 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.200 0.750 17918 6627 1 11 . 1 1 27 27 ASP H H 30 8.128 8.128 8.363 -0.235 17918 6628 1 11 . 1 1 28 28 SER N N 31 113.726 113.726 114.148 -0.422 17918 6629 1 11 . 1 1 28 28 SER HA H 31 4.629 4.629 4.955 -0.326 17918 6630 1 11 . 1 1 28 28 SER C C 31 178.127 178.127 173.210 4.917 17918 6631 1 11 . 1 1 28 28 SER CA C 31 58.869 58.869 57.730 1.139 17918 6632 1 11 . 1 1 28 28 SER CB C 31 64.796 64.796 66.690 -1.894 17918 6633 1 11 . 1 1 28 28 SER H H 31 8.633 8.633 7.441 1.192 17918 6634 1 11 . 1 1 29 29 THR N N 32 120.655 120.655 116.037 4.618 17918 6635 1 11 . 1 1 29 29 THR HA H 32 4.589 4.589 4.629 -0.040 17918 6636 1 11 . 1 1 29 29 THR C C 32 176.368 176.368 173.668 2.700 17918 6637 1 11 . 1 1 29 29 THR CA C 32 62.892 62.892 61.746 1.146 17918 6638 1 11 . 1 1 29 29 THR CB C 32 69.624 69.624 68.997 0.627 17918 6639 1 11 . 1 1 29 29 THR H H 32 8.397 8.397 8.956 -0.559 17918 6640 1 11 . 1 1 30 30 ALA N N 33 124.923 124.923 124.546 0.377 17918 6641 1 11 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.380 -0.585 17918 6642 1 11 . 1 1 30 30 ALA C C 33 177.708 177.708 176.597 1.111 17918 6643 1 11 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.440 3.388 17918 6644 1 11 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.461 2.388 17918 6645 1 11 . 1 1 30 30 ALA H H 33 8.251 8.251 8.664 -0.413 17918 6646 1 11 . 1 1 31 31 ASP N N 34 114.016 114.016 118.156 -4.140 17918 6647 1 11 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.693 0.038 17918 6648 1 11 . 1 1 31 31 ASP C C 34 176.973 176.973 176.436 0.537 17918 6649 1 11 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.069 0.513 17918 6650 1 11 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.274 -0.374 17918 6651 1 11 . 1 1 31 31 ASP H H 34 8.398 8.398 8.017 0.381 17918 6652 1 11 . 1 1 32 32 VAL N N 35 123.637 123.637 121.542 2.095 17918 6653 1 11 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.535 -0.275 17918 6654 1 11 . 1 1 32 32 VAL C C 35 177.725 177.725 174.322 3.403 17918 6655 1 11 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.529 2.963 17918 6656 1 11 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.230 -0.473 17918 6657 1 11 . 1 1 32 32 VAL H H 35 7.323 7.323 7.424 -0.101 17918 6658 1 11 . 1 1 33 33 THR N N 36 121.552 121.552 117.577 3.975 17918 6659 1 11 . 1 1 33 33 THR HA H 36 4.642 4.642 4.800 -0.158 17918 6660 1 11 . 1 1 33 33 THR C C 36 176.268 176.268 175.223 1.045 17918 6661 1 11 . 1 1 33 33 THR CA C 36 62.597 62.597 59.832 2.765 17918 6662 1 11 . 1 1 33 33 THR CB C 36 72.388 72.388 71.423 0.965 17918 6663 1 11 . 1 1 33 33 THR H H 36 9.078 9.078 8.130 0.948 17918 6664 1 11 . 1 1 34 34 TYR N N 37 122.486 122.486 119.960 2.526 17918 6665 1 11 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.641 -0.207 17918 6666 1 11 . 1 1 34 34 TYR C C 37 177.216 177.216 176.954 0.262 17918 6667 1 11 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.938 2.103 17918 6668 1 11 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.517 2.977 17918 6669 1 11 . 1 1 34 34 TYR H H 37 9.247 9.247 8.711 0.536 17918 6670 1 11 . 1 1 35 35 GLU N N 38 116.626 116.626 119.161 -2.535 17918 6671 1 11 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.677 0.002 17918 6672 1 11 . 1 1 35 35 GLU C C 38 180.453 180.453 178.661 1.792 17918 6673 1 11 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.787 1.658 17918 6674 1 11 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.165 1.994 17918 6675 1 11 . 1 1 35 35 GLU H H 38 8.782 8.782 7.930 0.852 17918 6676 1 11 . 1 1 36 36 ASP N N 39 120.670 120.670 119.786 0.884 17918 6677 1 11 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.331 0.041 17918 6678 1 11 . 1 1 36 36 ASP C C 39 180.015 180.015 178.234 1.781 17918 6679 1 11 . 1 1 36 36 ASP CA C 39 58.219 58.219 56.916 1.303 17918 6680 1 11 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.783 0.451 17918 6681 1 11 . 1 1 36 36 ASP H H 39 7.916 7.916 7.438 0.478 17918 6682 1 11 . 1 1 37 37 ALA N N 40 126.126 126.126 122.155 3.971 17918 6683 1 11 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.052 -0.212 17918 6684 1 11 . 1 1 37 37 ALA C C 40 179.923 179.923 179.548 0.375 17918 6685 1 11 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.297 1.048 17918 6686 1 11 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.814 1.039 17918 6687 1 11 . 1 1 37 37 ALA H H 40 8.318 8.318 8.156 0.162 17918 6688 1 11 . 1 1 38 38 ILE N N 41 118.850 118.850 119.083 -0.233 17918 6689 1 11 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.600 -0.132 17918 6690 1 11 . 1 1 38 38 ILE C C 41 179.106 179.106 177.809 1.297 17918 6691 1 11 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.065 -0.686 17918 6692 1 11 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.814 -0.523 17918 6693 1 11 . 1 1 38 38 ILE H H 41 8.151 8.151 8.292 -0.141 17918 6694 1 11 . 1 1 39 39 LYS N N 42 120.585 120.585 119.500 1.085 17918 6695 1 11 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.838 0.146 17918 6696 1 11 . 1 1 39 39 LYS C C 42 180.883 180.883 178.551 2.332 17918 6697 1 11 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.083 0.802 17918 6698 1 11 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.121 1.420 17918 6699 1 11 . 1 1 39 39 LYS H H 42 7.519 7.519 8.055 -0.536 17918 6700 1 11 . 1 1 40 40 GLU N N 43 121.167 121.167 119.664 1.503 17918 6701 1 11 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.010 0.306 17918 6702 1 11 . 1 1 40 40 GLU C C 43 179.969 179.969 178.835 1.134 17918 6703 1 11 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.136 0.870 17918 6704 1 11 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.320 1.421 17918 6705 1 11 . 1 1 40 40 GLU H H 43 7.911 7.911 7.709 0.202 17918 6706 1 11 . 1 1 41 41 LEU N N 44 121.081 121.081 120.173 0.908 17918 6707 1 11 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.213 -0.022 17918 6708 1 11 . 1 1 41 41 LEU C C 44 180.778 180.778 179.807 0.971 17918 6709 1 11 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.459 0.474 17918 6710 1 11 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.513 1.372 17918 6711 1 11 . 1 1 41 41 LEU H H 44 8.424 8.424 7.690 0.734 17918 6712 1 11 . 1 1 42 42 GLN N N 45 121.129 121.129 119.355 1.774 17918 6713 1 11 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.138 -0.109 17918 6714 1 11 . 1 1 42 42 GLN C C 45 179.911 179.911 178.737 1.174 17918 6715 1 11 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.441 1.919 17918 6716 1 11 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.343 0.679 17918 6717 1 11 . 1 1 42 42 GLN H H 45 8.971 8.971 8.304 0.667 17918 6718 1 11 . 1 1 43 43 LYS N N 46 121.830 121.830 121.114 0.716 17918 6719 1 11 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.879 0.128 17918 6720 1 11 . 1 1 43 43 LYS C C 46 180.898 180.898 178.656 2.242 17918 6721 1 11 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.389 1.255 17918 6722 1 11 . 1 1 43 43 LYS CB C 46 32.464 32.464 31.890 0.574 17918 6723 1 11 . 1 1 43 43 LYS H H 46 7.769 7.769 7.556 0.213 17918 6724 1 11 . 1 1 44 44 TRP N N 47 119.737 119.737 120.546 -0.809 17918 6725 1 11 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.239 -0.283 17918 6726 1 11 . 1 1 44 44 TRP C C 47 179.173 179.173 178.690 0.483 17918 6727 1 11 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.581 3.465 17918 6728 1 11 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.491 0.124 17918 6729 1 11 . 1 1 44 44 TRP H H 47 8.002 8.002 8.330 -0.328 17918 6730 1 11 . 1 1 45 45 SER N N 48 114.940 114.940 113.573 1.367 17918 6731 1 11 . 1 1 45 45 SER HA H 48 4.072 4.072 4.057 0.015 17918 6732 1 11 . 1 1 45 45 SER C C 48 178.249 178.249 177.140 1.109 17918 6733 1 11 . 1 1 45 45 SER CA C 48 63.707 63.707 61.642 2.065 17918 6734 1 11 . 1 1 45 45 SER H H 48 8.901 8.901 8.637 0.264 17918 6735 1 11 . 1 1 46 46 GLN N N 49 121.411 121.411 122.701 -1.290 17918 6736 1 11 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.076 0.121 17918 6737 1 11 . 1 1 46 46 GLN C C 49 179.809 179.809 178.141 1.668 17918 6738 1 11 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.925 0.934 17918 6739 1 11 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.726 0.467 17918 6740 1 11 . 1 1 46 46 GLN H H 49 7.950 7.950 7.571 0.379 17918 6741 1 11 . 1 1 47 47 ARG N N 50 121.809 121.809 120.138 1.671 17918 6742 1 11 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.275 -0.224 17918 6743 1 11 . 1 1 47 47 ARG C C 50 179.464 179.464 179.216 0.248 17918 6744 1 11 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.746 1.301 17918 6745 1 11 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.472 1.521 17918 6746 1 11 . 1 1 47 47 ARG H H 50 7.834 7.834 8.323 -0.489 17918 6747 1 11 . 1 1 48 48 ILE N N 51 120.569 120.569 118.801 1.768 17918 6748 1 11 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.242 0.246 17918 6749 1 11 . 1 1 48 48 ILE C C 51 181.848 181.848 178.217 3.631 17918 6750 1 11 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.632 -0.069 17918 6751 1 11 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.925 2.768 17918 6752 1 11 . 1 1 48 48 ILE H H 51 8.127 8.127 8.676 -0.549 17918 6753 1 11 . 1 1 49 49 ALA N N 52 124.538 124.538 120.803 3.735 17918 6754 1 11 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.118 0.091 17918 6755 1 11 . 1 1 49 49 ALA C C 52 181.120 181.120 178.905 2.215 17918 6756 1 11 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.357 2.062 17918 6757 1 11 . 1 1 49 49 ALA CB C 52 19.416 19.416 18.913 0.503 17918 6758 1 11 . 1 1 49 49 ALA H H 52 8.526 8.526 7.444 1.082 17918 6759 1 11 . 1 1 50 50 SER N N 53 111.097 111.097 113.629 -2.532 17918 6760 1 11 . 1 1 50 50 SER HA H 53 4.428 4.428 4.365 0.063 17918 6761 1 11 . 1 1 50 50 SER C C 53 176.608 176.608 176.214 0.394 17918 6762 1 11 . 1 1 50 50 SER CA C 53 60.248 60.248 59.413 0.836 17918 6763 1 11 . 1 1 50 50 SER CB C 53 65.098 65.098 64.658 0.440 17918 6764 1 11 . 1 1 50 50 SER H H 53 8.124 8.124 8.176 -0.052 17918 6765 1 11 . 1 1 51 51 GLY N N 54 110.581 110.581 109.769 0.812 17918 6766 1 11 . 1 1 51 51 GLY C C 54 175.699 175.699 174.841 0.858 17918 6767 1 11 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.839 1.592 17918 6768 1 11 . 1 1 51 51 GLY H H 54 7.904 7.904 8.429 -0.525 17918 6769 1 11 . 1 1 52 52 GLU N N 55 122.231 122.231 120.757 1.474 17918 6770 1 11 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.089 -0.086 17918 6771 1 11 . 1 1 52 52 GLU C C 55 177.647 177.647 176.661 0.986 17918 6772 1 11 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.871 1.217 17918 6773 1 11 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.230 1.393 17918 6774 1 11 . 1 1 52 52 GLU H H 55 8.204 8.204 7.942 0.262 17918 6775 1 11 . 1 1 53 53 VAL N N 56 111.615 111.615 110.553 1.062 17918 6776 1 11 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.594 -0.015 17918 6777 1 11 . 1 1 53 53 VAL C C 56 175.225 175.225 174.585 0.640 17918 6778 1 11 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.678 0.005 17918 6779 1 11 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.769 0.764 17918 6780 1 11 . 1 1 53 53 VAL H H 56 7.274 7.274 7.622 -0.348 17918 6781 1 11 . 1 1 54 54 SER N N 57 119.532 119.532 115.081 4.451 17918 6782 1 11 . 1 1 54 54 SER HA H 57 4.692 4.692 4.676 0.016 17918 6783 1 11 . 1 1 54 54 SER C C 57 176.092 176.092 175.112 0.980 17918 6784 1 11 . 1 1 54 54 SER CA C 57 58.189 58.189 57.376 0.813 17918 6785 1 11 . 1 1 54 54 SER CB C 57 66.447 66.447 65.082 1.365 17918 6786 1 11 . 1 1 54 54 SER H H 57 8.637 8.637 8.322 0.315 17918 6787 1 11 . 1 1 55 55 PHE N N 58 123.609 123.609 123.530 0.079 17918 6788 1 11 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.123 -0.469 17918 6789 1 11 . 1 1 55 55 PHE C C 58 177.469 177.469 176.804 0.665 17918 6790 1 11 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.316 2.541 17918 6791 1 11 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.593 2.373 17918 6792 1 11 . 1 1 55 55 PHE H H 58 9.326 9.326 9.132 0.194 17918 6793 1 11 . 1 1 56 56 GLU N N 59 116.994 116.994 119.219 -2.225 17918 6794 1 11 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.263 -0.058 17918 6795 1 11 . 1 1 56 56 GLU C C 59 180.852 180.852 179.545 1.307 17918 6796 1 11 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.198 1.169 17918 6797 1 11 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.935 0.895 17918 6798 1 11 . 1 1 56 56 GLU H H 59 9.464 9.464 8.877 0.587 17918 6799 1 11 . 1 1 57 57 GLU N N 60 122.452 122.452 119.022 3.430 17918 6800 1 11 . 1 1 57 57 GLU HA H 60 4.023 4.023 3.997 0.026 17918 6801 1 11 . 1 1 57 57 GLU C C 60 179.899 179.899 178.817 1.082 17918 6802 1 11 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.982 1.031 17918 6803 1 11 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.206 1.978 17918 6804 1 11 . 1 1 57 57 GLU H H 60 7.978 7.978 7.810 0.168 17918 6805 1 11 . 1 1 58 58 ALA N N 61 123.053 123.053 122.038 1.015 17918 6806 1 11 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.094 0.487 17918 6807 1 11 . 1 1 58 58 ALA C C 61 179.854 179.854 178.983 0.871 17918 6808 1 11 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.641 1.240 17918 6809 1 11 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.603 2.457 17918 6810 1 11 . 1 1 58 58 ALA H H 61 8.157 8.157 7.593 0.564 17918 6811 1 11 . 1 1 59 59 ALA N N 62 120.029 120.029 120.911 -0.882 17918 6812 1 11 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.975 -0.423 17918 6813 1 11 . 1 1 59 59 ALA C C 62 181.080 181.080 179.851 1.229 17918 6814 1 11 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.983 1.435 17918 6815 1 11 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.567 -0.525 17918 6816 1 11 . 1 1 59 59 ALA H H 62 8.540 8.540 8.645 -0.105 17918 6817 1 11 . 1 1 60 60 SER N N 63 113.010 113.010 111.739 1.271 17918 6818 1 11 . 1 1 60 60 SER HA H 63 4.766 4.766 4.337 0.429 17918 6819 1 11 . 1 1 60 60 SER C C 63 176.299 176.299 175.772 0.527 17918 6820 1 11 . 1 1 60 60 SER CA C 63 62.414 62.414 61.395 1.019 17918 6821 1 11 . 1 1 60 60 SER CB C 63 64.687 64.687 63.368 1.319 17918 6822 1 11 . 1 1 60 60 SER H H 63 8.013 8.013 7.846 0.167 17918 6823 1 11 . 1 1 61 61 GLN N N 64 115.830 115.830 116.860 -1.030 17918 6824 1 11 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.348 -0.218 17918 6825 1 11 . 1 1 61 61 GLN C C 64 178.579 178.579 177.285 1.294 17918 6826 1 11 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.835 0.531 17918 6827 1 11 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.462 1.914 17918 6828 1 11 . 1 1 61 61 GLN H H 64 7.496 7.496 7.427 0.069 17918 6829 1 11 . 1 1 62 62 ARG N N 65 115.716 115.716 116.810 -1.094 17918 6830 1 11 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.521 -0.060 17918 6831 1 11 . 1 1 62 62 ARG C C 65 176.601 176.601 176.675 -0.074 17918 6832 1 11 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.883 -2.252 17918 6833 1 11 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.047 1.609 17918 6834 1 11 . 1 1 62 62 ARG H H 65 7.693 7.693 8.513 -0.820 17918 6835 1 11 . 1 1 63 63 SER N N 66 114.680 114.680 116.155 -1.475 17918 6836 1 11 . 1 1 63 63 SER HA H 66 4.222 4.222 4.666 -0.444 17918 6837 1 11 . 1 1 63 63 SER C C 66 177.034 177.034 175.288 1.746 17918 6838 1 11 . 1 1 63 63 SER CA C 66 59.677 59.677 58.588 1.089 17918 6839 1 11 . 1 1 63 63 SER CB C 66 65.786 65.786 62.970 2.816 17918 6840 1 11 . 1 1 63 63 SER H H 66 8.528 8.528 7.764 0.764 17918 6841 1 11 . 1 1 64 64 ASP N N 67 123.612 123.612 124.710 -1.098 17918 6842 1 11 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.391 0.508 17918 6843 1 11 . 1 1 64 64 ASP C C 67 176.674 176.674 176.929 -0.255 17918 6844 1 11 . 1 1 64 64 ASP CA C 67 55.991 55.991 55.627 0.364 17918 6845 1 11 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.867 2.791 17918 6846 1 11 . 1 1 64 64 ASP H H 67 9.645 9.645 8.939 0.706 17918 6847 1 11 . 1 1 65 65 CYS N N 68 124.716 124.716 117.381 7.335 17918 6848 1 11 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.531 -0.086 17918 6849 1 11 . 1 1 65 65 CYS C C 68 177.747 177.747 177.264 0.483 17918 6850 1 11 . 1 1 65 65 CYS CA C 68 60.118 60.118 60.230 -0.112 17918 6851 1 11 . 1 1 65 65 CYS CB C 68 30.459 30.459 30.167 0.292 17918 6852 1 11 . 1 1 65 65 CYS H H 68 7.903 7.903 7.981 -0.078 17918 6853 1 11 . 1 1 66 66 GLY N N 69 118.503 118.503 109.203 9.300 17918 6854 1 11 . 1 1 66 66 GLY C C 69 175.872 175.872 175.794 0.078 17918 6855 1 11 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.199 1.743 17918 6856 1 11 . 1 1 66 66 GLY H H 69 8.811 8.811 9.007 -0.196 17918 6857 1 11 . 1 1 67 67 SER N N 70 120.316 120.316 117.926 2.390 17918 6858 1 11 . 1 1 67 67 SER HA H 70 4.245 4.245 4.128 0.117 17918 6859 1 11 . 1 1 67 67 SER C C 70 178.404 178.404 175.896 2.508 17918 6860 1 11 . 1 1 67 67 SER CA C 70 61.611 61.611 60.452 1.159 17918 6861 1 11 . 1 1 67 67 SER CB C 70 64.297 64.297 62.316 1.981 17918 6862 1 11 . 1 1 67 67 SER H H 70 9.556 9.556 8.455 1.101 17918 6863 1 11 . 1 1 68 68 TYR N N 71 129.376 129.376 122.073 7.303 17918 6864 1 11 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.328 -0.297 17918 6865 1 11 . 1 1 68 68 TYR C C 71 177.613 177.613 177.310 0.303 17918 6866 1 11 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.400 2.993 17918 6867 1 11 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.610 0.187 17918 6868 1 11 . 1 1 68 68 TYR H H 71 8.584 8.584 8.193 0.391 17918 6869 1 11 . 1 1 69 69 ALA N N 72 122.673 122.673 120.896 1.777 17918 6870 1 11 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.855 -0.210 17918 6871 1 11 . 1 1 69 69 ALA C C 72 179.011 179.011 178.088 0.923 17918 6872 1 11 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.356 0.934 17918 6873 1 11 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.181 0.940 17918 6874 1 11 . 1 1 69 69 ALA H H 72 5.645 5.645 7.191 -1.546 17918 6875 1 11 . 1 1 70 70 SER N N 73 114.496 114.496 112.921 1.575 17918 6876 1 11 . 1 1 70 70 SER HA H 73 4.782 4.782 4.540 0.242 17918 6877 1 11 . 1 1 70 70 SER C C 73 177.320 177.320 174.444 2.876 17918 6878 1 11 . 1 1 70 70 SER CA C 73 57.287 57.287 57.424 -0.137 17918 6879 1 11 . 1 1 70 70 SER CB C 73 64.538 64.538 64.125 0.413 17918 6880 1 11 . 1 1 70 70 SER H H 73 7.654 7.654 7.360 0.294 17918 6881 1 11 . 1 1 71 71 GLY N N 74 112.182 112.182 108.041 4.141 17918 6882 1 11 . 1 1 71 71 GLY C C 74 174.379 174.379 175.016 -0.637 17918 6883 1 11 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.345 3.089 17918 6884 1 11 . 1 1 71 71 GLY H H 74 7.933 7.933 7.172 0.761 17918 6885 1 11 . 1 1 72 72 GLY N N 75 126.463 126.463 108.405 18.058 17918 6886 1 11 . 1 1 72 72 GLY C C 75 175.121 175.121 172.491 2.630 17918 6887 1 11 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.585 0.487 17918 6888 1 11 . 1 1 72 72 GLY H H 75 7.994 7.994 8.489 -0.495 17918 6889 1 11 . 1 1 73 73 ASP N N 76 118.815 118.815 120.720 -1.905 17918 6890 1 11 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.424 -0.010 17918 6891 1 11 . 1 1 73 73 ASP C C 76 177.362 177.362 174.807 2.555 17918 6892 1 11 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.679 2.444 17918 6893 1 11 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.729 -0.278 17918 6894 1 11 . 1 1 73 73 ASP H H 76 6.956 6.956 7.566 -0.610 17918 6895 1 11 . 1 1 74 74 LEU N N 77 128.720 128.720 122.462 6.258 17918 6896 1 11 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.624 -0.269 17918 6897 1 11 . 1 1 74 74 LEU C C 77 179.412 179.412 177.505 1.907 17918 6898 1 11 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.683 2.451 17918 6899 1 11 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.401 1.440 17918 6900 1 11 . 1 1 74 74 LEU H H 77 8.694 8.694 8.148 0.546 17918 6901 1 11 . 1 1 75 75 GLY N N 78 109.695 109.695 107.987 1.708 17918 6902 1 11 . 1 1 75 75 GLY C C 78 173.473 173.473 174.842 -1.369 17918 6903 1 11 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.046 0.300 17918 6904 1 11 . 1 1 75 75 GLY H H 78 8.682 8.682 7.604 1.077 17918 6905 1 11 . 1 1 76 76 PHE N N 79 115.646 115.646 115.415 0.231 17918 6906 1 11 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.823 1.396 17918 6907 1 11 . 1 1 76 76 PHE C C 79 178.904 178.904 174.957 3.947 17918 6908 1 11 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.651 -0.195 17918 6909 1 11 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.274 3.543 17918 6910 1 11 . 1 1 76 76 PHE H H 79 8.203 8.203 7.404 0.799 17918 6911 1 11 . 1 1 77 77 PHE N N 80 119.508 119.508 117.262 2.246 17918 6912 1 11 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.918 0.219 17918 6913 1 11 . 1 1 77 77 PHE C C 80 174.331 174.331 173.271 1.060 17918 6914 1 11 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.397 0.499 17918 6915 1 11 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.271 1.192 17918 6916 1 11 . 1 1 77 77 PHE H H 80 9.112 9.112 8.803 0.309 17918 6917 1 11 . 1 1 78 78 SER N N 81 116.578 116.578 115.790 0.788 17918 6918 1 11 . 1 1 78 78 SER HA H 81 4.957 4.957 5.513 -0.556 17918 6919 1 11 . 1 1 78 78 SER C C 81 176.191 176.191 176.803 -0.612 17918 6920 1 11 . 1 1 78 78 SER CA C 81 58.065 58.065 56.120 1.945 17918 6921 1 11 . 1 1 78 78 SER CB C 81 66.514 66.514 65.235 1.279 17918 6922 1 11 . 1 1 78 78 SER H H 81 8.930 8.930 9.687 -0.757 17918 6923 1 11 . 1 1 79 79 SER N N 82 118.715 118.715 120.655 -1.940 17918 6924 1 11 . 1 1 79 79 SER HA H 82 4.420 4.420 4.319 0.101 17918 6925 1 11 . 1 1 79 79 SER C C 82 176.946 176.946 176.425 0.521 17918 6926 1 11 . 1 1 79 79 SER CA C 82 60.988 60.988 61.021 -0.033 17918 6927 1 11 . 1 1 79 79 SER CB C 82 64.242 64.242 62.711 1.531 17918 6928 1 11 . 1 1 79 79 SER H H 82 8.751 8.751 9.117 -0.366 17918 6929 1 11 . 1 1 80 80 GLY N N 83 117.069 117.069 107.423 9.646 17918 6930 1 11 . 1 1 80 80 GLY C C 83 175.628 175.628 173.967 1.661 17918 6931 1 11 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.013 1.619 17918 6932 1 11 . 1 1 80 80 GLY H H 83 10.009 10.009 8.728 1.281 17918 6933 1 11 . 1 1 81 81 GLU N N 84 120.322 120.322 120.299 0.023 17918 6934 1 11 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.378 -0.147 17918 6935 1 11 . 1 1 81 81 GLU C C 84 178.456 178.456 176.416 2.040 17918 6936 1 11 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.182 3.545 17918 6937 1 11 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.197 2.525 17918 6938 1 11 . 1 1 81 81 GLU H H 84 7.812 7.812 8.130 -0.318 17918 6939 1 11 . 1 1 82 82 MET N N 85 117.156 117.156 117.203 -0.047 17918 6940 1 11 . 1 1 82 82 MET HA H 85 4.569 4.569 4.676 -0.107 17918 6941 1 11 . 1 1 82 82 MET C C 85 176.991 176.991 175.208 1.783 17918 6942 1 11 . 1 1 82 82 MET CA C 85 53.174 53.174 53.559 -0.385 17918 6943 1 11 . 1 1 82 82 MET CB C 85 34.386 34.386 33.854 0.532 17918 6944 1 11 . 1 1 82 82 MET H H 85 8.601 8.601 7.473 1.128 17918 6945 1 11 . 1 1 83 83 MET N N 86 119.413 119.413 118.919 0.494 17918 6946 1 11 . 1 1 83 83 MET HA H 86 4.273 4.273 4.491 -0.218 17918 6947 1 11 . 1 1 83 83 MET C C 86 178.979 178.979 177.369 1.610 17918 6948 1 11 . 1 1 83 83 MET CA C 86 58.320 58.320 54.620 3.700 17918 6949 1 11 . 1 1 83 83 MET CB C 86 34.339 34.339 32.443 1.896 17918 6950 1 11 . 1 1 83 83 MET H H 86 8.413 8.413 8.149 0.264 17918 6951 1 11 . 1 1 84 84 LYS N N 87 126.834 126.834 124.099 2.735 17918 6952 1 11 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.083 0.657 17918 6953 1 11 . 1 1 84 84 LYS C C 87 175.267 175.267 176.145 -0.878 17918 6954 1 11 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.282 1.179 17918 6955 1 11 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.252 1.183 17918 6956 1 11 . 1 1 84 84 LYS H H 87 9.099 9.099 8.870 0.229 17918 6957 1 11 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.312 0.153 17918 6958 1 11 . 1 1 85 85 PRO C C 88 180.671 180.671 178.395 2.276 17918 6959 1 11 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.500 1.243 17918 6960 1 11 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.037 1.219 17918 6961 1 11 . 1 1 86 86 PHE N N 89 116.583 116.583 119.796 -3.213 17918 6962 1 11 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.164 -0.517 17918 6963 1 11 . 1 1 86 86 PHE C C 89 177.086 177.086 176.924 0.162 17918 6964 1 11 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.177 0.307 17918 6965 1 11 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.085 2.425 17918 6966 1 11 . 1 1 86 86 PHE H H 89 7.102 7.102 7.754 -0.652 17918 6967 1 11 . 1 1 87 87 GLU N N 90 120.506 120.506 120.298 0.208 17918 6968 1 11 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.833 -0.109 17918 6969 1 11 . 1 1 87 87 GLU C C 90 179.102 179.102 178.733 0.369 17918 6970 1 11 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.567 2.290 17918 6971 1 11 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.235 1.549 17918 6972 1 11 . 1 1 87 87 GLU H H 90 8.126 8.126 8.902 -0.776 17918 6973 1 11 . 1 1 88 88 ASP N N 91 118.355 118.355 119.277 -0.922 17918 6974 1 11 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.363 -0.128 17918 6975 1 11 . 1 1 88 88 ASP C C 91 180.067 180.067 178.197 1.870 17918 6976 1 11 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.543 0.761 17918 6977 1 11 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.652 0.374 17918 6978 1 11 . 1 1 88 88 ASP H H 91 9.121 9.121 8.499 0.622 17918 6979 1 11 . 1 1 89 89 ALA N N 92 121.718 121.718 121.491 0.227 17918 6980 1 11 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.128 -0.056 17918 6981 1 11 . 1 1 89 89 ALA C C 92 181.131 181.131 179.852 1.279 17918 6982 1 11 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.691 1.154 17918 6983 1 11 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.375 1.724 17918 6984 1 11 . 1 1 89 89 ALA H H 92 7.154 7.154 7.298 -0.144 17918 6985 1 11 . 1 1 90 90 VAL N N 93 117.315 117.315 118.547 -1.232 17918 6986 1 11 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.543 -0.128 17918 6987 1 11 . 1 1 90 90 VAL C C 93 178.908 178.908 177.546 1.362 17918 6988 1 11 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.922 1.832 17918 6989 1 11 . 1 1 90 90 VAL CB C 93 32.349 32.349 30.685 1.664 17918 6990 1 11 . 1 1 90 90 VAL H H 93 7.797 7.797 7.429 0.368 17918 6991 1 11 . 1 1 91 91 ARG N N 94 116.826 116.826 120.168 -3.342 17918 6992 1 11 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.010 -0.156 17918 6993 1 11 . 1 1 91 91 ARG C C 94 177.858 177.858 178.516 -0.658 17918 6994 1 11 . 1 1 91 91 ARG CA C 94 60.466 60.466 59.239 1.227 17918 6995 1 11 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.106 0.982 17918 6996 1 11 . 1 1 91 91 ARG H H 94 8.154 8.154 8.328 -0.174 17918 6997 1 11 . 1 1 92 92 ALA N N 95 118.849 118.849 120.828 -1.979 17918 6998 1 11 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.228 0.065 17918 6999 1 11 . 1 1 92 92 ALA C C 95 178.452 178.452 177.798 0.654 17918 7000 1 11 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.567 -0.090 17918 7001 1 11 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.157 0.990 17918 7002 1 11 . 1 1 92 92 ALA H H 95 7.067 7.067 7.486 -0.419 17918 7003 1 11 . 1 1 93 93 LEU N N 96 120.871 120.871 114.182 6.689 17918 7004 1 11 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.693 -0.179 17918 7005 1 11 . 1 1 93 93 LEU C C 96 179.045 179.045 175.236 3.809 17918 7006 1 11 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.431 1.732 17918 7007 1 11 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.661 1.271 17918 7008 1 11 . 1 1 93 93 LEU H H 96 7.396 7.396 7.195 0.201 17918 7009 1 11 . 1 1 94 94 LYS N N 97 121.289 121.289 120.304 0.985 17918 7010 1 11 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.449 -0.041 17918 7011 1 11 . 1 1 94 94 LYS C C 97 178.629 178.629 176.345 2.284 17918 7012 1 11 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.748 1.546 17918 7013 1 11 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.912 -1.517 17918 7014 1 11 . 1 1 94 94 LYS H H 97 8.274 8.274 8.292 -0.018 17918 7015 1 11 . 1 1 95 95 ILE N N 98 122.343 122.343 121.125 1.218 17918 7016 1 11 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.635 -0.570 17918 7017 1 11 . 1 1 95 95 ILE C C 98 178.406 178.406 176.752 1.654 17918 7018 1 11 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.579 2.715 17918 7019 1 11 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.538 1.624 17918 7020 1 11 . 1 1 95 95 ILE H H 98 8.396 8.396 8.454 -0.058 17918 7021 1 11 . 1 1 96 96 GLY N N 99 118.074 118.074 116.393 1.681 17918 7022 1 11 . 1 1 96 96 GLY C C 99 174.605 174.605 174.189 0.416 17918 7023 1 11 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.548 1.625 17918 7024 1 11 . 1 1 96 96 GLY H H 99 8.988 8.988 8.868 0.120 17918 7025 1 11 . 1 1 97 97 ASP N N 100 121.984 121.984 122.519 -0.535 17918 7026 1 11 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.878 -0.083 17918 7027 1 11 . 1 1 97 97 ASP C C 100 175.344 175.344 175.130 0.214 17918 7028 1 11 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.105 0.932 17918 7029 1 11 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.472 1.481 17918 7030 1 11 . 1 1 97 97 ASP H H 100 7.978 7.978 8.429 -0.451 17918 7031 1 11 . 1 1 98 98 ILE N N 101 117.483 117.483 119.355 -1.872 17918 7032 1 11 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.812 0.348 17918 7033 1 11 . 1 1 98 98 ILE C C 101 178.147 178.147 175.953 2.194 17918 7034 1 11 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.926 0.410 17918 7035 1 11 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.642 -0.349 17918 7036 1 11 . 1 1 98 98 ILE H H 101 8.048 8.048 8.170 -0.122 17918 7037 1 11 . 1 1 99 99 SER N N 102 126.778 126.778 123.859 2.919 17918 7038 1 11 . 1 1 99 99 SER HA H 102 4.526 4.526 4.978 -0.452 17918 7039 1 11 . 1 1 99 99 SER C C 102 172.735 172.735 173.428 -0.693 17918 7040 1 11 . 1 1 99 99 SER CA C 102 59.441 59.441 56.507 2.934 17918 7041 1 11 . 1 1 99 99 SER CB C 102 64.572 64.572 63.867 0.705 17918 7042 1 11 . 1 1 99 99 SER H H 102 9.722 9.722 9.180 0.542 17918 7043 1 11 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.541 0.278 17918 7044 1 11 . 1 1 100 100 PRO C C 103 176.647 176.647 176.728 -0.081 17918 7045 1 11 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.465 0.663 17918 7046 1 11 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.503 0.936 17918 7047 1 11 . 1 1 101 101 ILE N N 104 120.048 120.048 118.932 1.116 17918 7048 1 11 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.256 0.051 17918 7049 1 11 . 1 1 101 101 ILE C C 104 178.021 178.021 176.443 1.578 17918 7050 1 11 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.924 3.217 17918 7051 1 11 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.747 1.223 17918 7052 1 11 . 1 1 101 101 ILE H H 104 8.199 8.199 8.244 -0.045 17918 7053 1 11 . 1 1 102 102 VAL N N 105 130.676 130.676 128.813 1.863 17918 7054 1 11 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.415 -0.058 17918 7055 1 11 . 1 1 102 102 VAL C C 105 175.118 175.118 174.927 0.191 17918 7056 1 11 . 1 1 102 102 VAL CA C 105 61.807 61.807 60.963 0.844 17918 7057 1 11 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.925 3.458 17918 7058 1 11 . 1 1 102 102 VAL H H 105 9.285 9.285 8.887 0.398 17918 7059 1 11 . 1 1 103 103 GLN N N 106 128.464 128.464 126.815 1.649 17918 7060 1 11 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.899 0.550 17918 7061 1 11 . 1 1 103 103 GLN C C 106 176.704 176.704 175.873 0.831 17918 7062 1 11 . 1 1 103 103 GLN CA C 106 56.060 56.060 57.061 -1.001 17918 7063 1 11 . 1 1 103 103 GLN CB C 106 31.032 31.032 30.015 1.017 17918 7064 1 11 . 1 1 103 103 GLN H H 106 8.900 8.900 8.865 0.035 17918 7065 1 11 . 1 1 104 104 THR N N 107 116.680 116.680 115.654 1.026 17918 7066 1 11 . 1 1 104 104 THR HA H 107 4.978 4.978 4.645 0.333 17918 7067 1 11 . 1 1 104 104 THR C C 107 177.189 177.189 174.214 2.975 17918 7068 1 11 . 1 1 104 104 THR CA C 107 61.836 61.836 59.797 2.039 17918 7069 1 11 . 1 1 104 104 THR CB C 107 73.663 73.663 70.810 2.853 17918 7070 1 11 . 1 1 104 104 THR H H 107 9.275 9.275 9.054 0.221 17918 7071 1 11 . 1 1 105 105 ASP N N 108 119.651 119.651 121.280 -1.629 17918 7072 1 11 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.451 0.127 17918 7073 1 11 . 1 1 105 105 ASP C C 108 179.034 179.034 177.265 1.769 17918 7074 1 11 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.407 0.548 17918 7075 1 11 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.693 1.323 17918 7076 1 11 . 1 1 105 105 ASP H H 108 8.945 8.945 8.720 0.225 17918 7077 1 11 . 1 1 106 106 SER N N 109 114.257 114.257 113.689 0.568 17918 7078 1 11 . 1 1 106 106 SER HA H 109 4.642 4.642 4.353 0.289 17918 7079 1 11 . 1 1 106 106 SER C C 109 177.224 177.224 174.559 2.665 17918 7080 1 11 . 1 1 106 106 SER CA C 109 62.788 62.788 59.975 2.813 17918 7081 1 11 . 1 1 106 106 SER CB C 109 64.767 64.767 63.751 1.016 17918 7082 1 11 . 1 1 106 106 SER H H 109 8.968 8.968 8.378 0.590 17918 7083 1 11 . 1 1 107 107 GLY N N 110 111.288 111.288 106.930 4.358 17918 7084 1 11 . 1 1 107 107 GLY C C 110 169.468 169.468 172.198 -2.730 17918 7085 1 11 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.360 1.338 17918 7086 1 11 . 1 1 107 107 GLY H H 110 7.829 7.829 7.439 0.390 17918 7087 1 11 . 1 1 108 108 LEU N N 111 122.506 122.506 121.516 0.990 17918 7088 1 11 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.007 0.364 17918 7089 1 11 . 1 1 108 108 LEU C C 111 175.948 175.948 175.686 0.262 17918 7090 1 11 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.083 0.193 17918 7091 1 11 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.746 1.029 17918 7092 1 11 . 1 1 108 108 LEU H H 111 8.143 8.143 8.405 -0.262 17918 7093 1 11 . 1 1 109 109 HIS N N 112 119.518 119.518 122.090 -2.572 17918 7094 1 11 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.881 0.214 17918 7095 1 11 . 1 1 109 109 HIS C C 112 179.186 179.186 174.874 4.312 17918 7096 1 11 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.782 0.598 17918 7097 1 11 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.645 0.193 17918 7098 1 11 . 1 1 109 109 HIS H H 112 9.764 9.764 9.197 0.567 17918 7099 1 11 . 1 1 110 110 ILE N N 113 113.128 113.128 119.344 -6.216 17918 7100 1 11 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.925 -0.466 17918 7101 1 11 . 1 1 110 110 ILE C C 113 176.666 176.666 174.296 2.370 17918 7102 1 11 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.910 4.527 17918 7103 1 11 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.683 2.053 17918 7104 1 11 . 1 1 110 110 ILE H H 113 8.117 8.117 8.475 -0.358 17918 7105 1 11 . 1 1 111 111 ILE N N 114 125.121 125.121 122.253 2.868 17918 7106 1 11 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.278 -0.508 17918 7107 1 11 . 1 1 111 111 ILE C C 114 173.792 173.792 174.232 -0.440 17918 7108 1 11 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.692 2.292 17918 7109 1 11 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.277 1.406 17918 7110 1 11 . 1 1 111 111 ILE H H 114 8.604 8.604 8.925 -0.321 17918 7111 1 11 . 1 1 112 112 LYS N N 115 127.966 127.966 121.668 6.298 17918 7112 1 11 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.474 -0.301 17918 7113 1 11 . 1 1 112 112 LYS C C 115 177.267 177.267 174.904 2.363 17918 7114 1 11 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.135 0.240 17918 7115 1 11 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.846 -0.333 17918 7116 1 11 . 1 1 112 112 LYS H H 115 9.075 9.075 9.096 -0.021 17918 7117 1 11 . 1 1 113 113 ARG N N 116 126.762 126.762 123.807 2.955 17918 7118 1 11 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.256 0.079 17918 7119 1 11 . 1 1 113 113 ARG C C 116 176.109 176.109 175.931 0.178 17918 7120 1 11 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.912 1.911 17918 7121 1 11 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.186 0.671 17918 7122 1 11 . 1 1 113 113 ARG H H 116 7.830 7.830 8.612 -0.782 17918 7123 1 11 . 1 1 114 114 LEU N N 117 128.545 128.545 128.153 0.392 17918 7124 1 11 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.616 0.007 17918 7125 1 11 . 1 1 114 114 LEU C C 117 176.857 176.857 175.710 1.147 17918 7126 1 11 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.970 1.022 17918 7127 1 11 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.405 1.734 17918 7128 1 11 . 1 1 114 114 LEU H H 117 8.534 8.534 8.892 -0.358 17918 7129 1 12 . 1 1 2 2 SER N N 5 117.478 117.478 117.656 -0.178 17918 7130 1 12 . 1 1 2 2 SER HA H 5 4.393 4.393 4.423 -0.030 17918 7131 1 12 . 1 1 2 2 SER C C 5 175.466 175.466 175.139 0.327 17918 7132 1 12 . 1 1 2 2 SER CA C 5 59.622 59.622 60.090 -0.468 17918 7133 1 12 . 1 1 2 2 SER CB C 5 64.896 64.896 63.516 1.380 17918 7134 1 12 . 1 1 2 2 SER H H 5 8.317 8.317 8.172 0.145 17918 7135 1 12 . 1 1 3 3 GLU N N 6 123.783 123.783 119.909 3.874 17918 7136 1 12 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.391 -0.113 17918 7137 1 12 . 1 1 3 3 GLU C C 6 177.189 177.189 174.887 2.302 17918 7138 1 12 . 1 1 3 3 GLU CA C 6 57.791 57.791 56.434 1.357 17918 7139 1 12 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.267 1.301 17918 7140 1 12 . 1 1 3 3 GLU H H 6 8.359 8.359 7.775 0.584 17918 7141 1 12 . 1 1 4 4 LYS N N 7 122.875 122.875 117.982 4.893 17918 7142 1 12 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.038 0.476 17918 7143 1 12 . 1 1 4 4 LYS C C 7 176.557 176.557 175.164 1.393 17918 7144 1 12 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.208 -0.382 17918 7145 1 12 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.204 4.189 17918 7146 1 12 . 1 1 4 4 LYS H H 7 8.193 8.193 8.398 -0.205 17918 7147 1 12 . 1 1 5 5 LEU N N 8 123.258 123.258 122.701 0.557 17918 7148 1 12 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.725 -0.331 17918 7149 1 12 . 1 1 5 5 LEU C C 8 175.699 175.699 174.117 1.582 17918 7150 1 12 . 1 1 5 5 LEU CA C 8 54.542 54.542 52.823 1.719 17918 7151 1 12 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.213 0.299 17918 7152 1 12 . 1 1 5 5 LEU H H 8 8.265 8.265 8.397 -0.132 17918 7153 1 12 . 1 1 6 6 ARG N N 9 117.197 117.197 120.766 -3.569 17918 7154 1 12 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.595 0.009 17918 7155 1 12 . 1 1 6 6 ARG C C 9 175.633 175.633 173.609 2.024 17918 7156 1 12 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.174 2.001 17918 7157 1 12 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.394 3.026 17918 7158 1 12 . 1 1 6 6 ARG H H 9 7.759 7.759 8.587 -0.828 17918 7159 1 12 . 1 1 7 7 ALA N N 10 126.954 126.954 128.261 -1.307 17918 7160 1 12 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.099 0.041 17918 7161 1 12 . 1 1 7 7 ALA C C 10 174.004 174.004 174.867 -0.863 17918 7162 1 12 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.171 0.696 17918 7163 1 12 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.778 2.229 17918 7164 1 12 . 1 1 7 7 ALA H H 10 7.637 7.637 8.633 -0.996 17918 7165 1 12 . 1 1 8 8 ALA N N 11 122.081 122.081 124.531 -2.450 17918 7166 1 12 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.547 1.243 17918 7167 1 12 . 1 1 8 8 ALA C C 11 177.446 177.446 174.985 2.461 17918 7168 1 12 . 1 1 8 8 ALA CA C 11 50.276 50.276 49.968 0.308 17918 7169 1 12 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.633 2.988 17918 7170 1 12 . 1 1 8 8 ALA H H 11 8.991 8.991 8.651 0.340 17918 7171 1 12 . 1 1 9 9 HIS N N 12 118.002 118.002 118.670 -0.668 17918 7172 1 12 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.637 0.492 17918 7173 1 12 . 1 1 9 9 HIS C C 12 172.689 172.689 172.828 -0.139 17918 7174 1 12 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.636 1.460 17918 7175 1 12 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.202 5.530 17918 7176 1 12 . 1 1 9 9 HIS H H 12 9.489 9.489 7.794 1.695 17918 7177 1 12 . 1 1 10 10 LEU N N 13 126.276 126.276 120.257 6.019 17918 7178 1 12 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.993 -1.087 17918 7179 1 12 . 1 1 10 10 LEU C C 13 174.163 174.163 174.631 -0.468 17918 7180 1 12 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.643 3.060 17918 7181 1 12 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.261 -0.694 17918 7182 1 12 . 1 1 10 10 LEU H H 13 8.866 8.866 9.104 -0.238 17918 7183 1 12 . 1 1 11 11 LEU N N 14 127.134 127.134 126.721 0.413 17918 7184 1 12 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.296 -0.558 17918 7185 1 12 . 1 1 11 11 LEU C C 14 175.626 175.626 174.463 1.163 17918 7186 1 12 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.423 0.180 17918 7187 1 12 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.554 1.141 17918 7188 1 12 . 1 1 11 11 LEU H H 14 7.762 7.762 8.554 -0.792 17918 7189 1 12 . 1 1 12 12 VAL N N 15 129.450 129.450 128.365 1.085 17918 7190 1 12 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.411 -0.001 17918 7191 1 12 . 1 1 12 12 VAL C C 15 177.055 177.055 174.915 2.140 17918 7192 1 12 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.487 2.354 17918 7193 1 12 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.193 0.196 17918 7194 1 12 . 1 1 12 12 VAL H H 15 9.667 9.667 8.687 0.980 17918 7195 1 12 . 1 1 13 13 LYS N N 16 127.188 127.188 127.246 -0.058 17918 7196 1 12 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.501 -0.019 17918 7197 1 12 . 1 1 13 13 LYS C C 16 176.034 176.034 175.190 0.844 17918 7198 1 12 . 1 1 13 13 LYS CA C 16 58.166 58.166 54.928 3.238 17918 7199 1 12 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.434 3.360 17918 7200 1 12 . 1 1 13 13 LYS H H 16 9.138 9.138 8.516 0.622 17918 7201 1 12 . 1 1 14 14 PHE N N 17 117.138 117.138 120.856 -3.718 17918 7202 1 12 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.867 0.387 17918 7203 1 12 . 1 1 14 14 PHE C C 17 176.588 176.588 176.639 -0.051 17918 7204 1 12 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.698 1.890 17918 7205 1 12 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.087 0.272 17918 7206 1 12 . 1 1 14 14 PHE H H 17 8.617 8.617 7.781 0.836 17918 7207 1 12 . 1 1 15 15 SER N N 18 120.047 120.047 117.025 3.022 17918 7208 1 12 . 1 1 15 15 SER HA H 18 4.019 4.019 4.197 -0.178 17918 7209 1 12 . 1 1 15 15 SER C C 18 180.099 180.099 176.066 4.033 17918 7210 1 12 . 1 1 15 15 SER CA C 18 62.865 62.865 61.577 1.288 17918 7211 1 12 . 1 1 15 15 SER CB C 18 64.300 64.300 63.181 1.119 17918 7212 1 12 . 1 1 15 15 SER H H 18 9.437 9.437 9.113 0.324 17918 7213 1 12 . 1 1 16 16 GLY C C 19 175.458 175.458 174.420 1.038 17918 7214 1 12 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.609 1.173 17918 7215 1 12 . 1 1 17 17 SER N N 20 120.550 120.550 114.894 5.656 17918 7216 1 12 . 1 1 17 17 SER HA H 20 3.839 3.839 4.024 -0.185 17918 7217 1 12 . 1 1 17 17 SER C C 20 174.702 174.702 174.948 -0.246 17918 7218 1 12 . 1 1 17 17 SER CA C 20 62.099 62.099 57.813 4.285 17918 7219 1 12 . 1 1 17 17 SER CB C 20 65.081 65.081 64.462 0.619 17918 7220 1 12 . 1 1 17 17 SER H H 20 7.236 7.236 7.285 -0.049 17918 7221 1 12 . 1 1 18 18 ARG N N 21 123.998 123.998 118.578 5.420 17918 7222 1 12 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.154 -0.091 17918 7223 1 12 . 1 1 18 18 ARG C C 21 177.005 177.005 175.982 1.023 17918 7224 1 12 . 1 1 18 18 ARG CA C 21 59.595 59.595 57.444 2.151 17918 7225 1 12 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.534 -0.428 17918 7226 1 12 . 1 1 18 18 ARG H H 21 8.544 8.544 8.031 0.513 17918 7227 1 12 . 1 1 19 19 ASN N N 22 116.403 116.403 116.372 0.031 17918 7228 1 12 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.018 0.246 17918 7229 1 12 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.904 -0.084 17918 7230 1 12 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.963 0.533 17918 7231 1 12 . 1 1 19 19 ASN H H 22 8.412 8.412 7.934 0.478 17918 7232 1 12 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.551 -0.213 17918 7233 1 12 . 1 1 20 20 PRO C C 23 176.381 176.381 174.929 1.452 17918 7234 1 12 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.619 1.945 17918 7235 1 12 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.304 -0.994 17918 7236 1 12 . 1 1 21 21 VAL N N 24 126.905 126.905 120.155 6.750 17918 7237 1 12 . 1 1 21 21 VAL HA H 24 4.348 4.348 5.188 -0.840 17918 7238 1 12 . 1 1 21 21 VAL C C 24 176.393 176.393 175.207 1.186 17918 7239 1 12 . 1 1 21 21 VAL CA C 24 62.839 62.839 60.430 2.409 17918 7240 1 12 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.937 0.049 17918 7241 1 12 . 1 1 21 21 VAL H H 24 8.810 8.810 7.888 0.922 17918 7242 1 12 . 1 1 22 22 SER N N 25 121.164 121.164 117.750 3.414 17918 7243 1 12 . 1 1 22 22 SER HA H 25 4.296 4.296 4.800 -0.504 17918 7244 1 12 . 1 1 22 22 SER C C 25 178.264 178.264 174.927 3.337 17918 7245 1 12 . 1 1 22 22 SER CA C 25 59.682 59.682 55.536 4.146 17918 7246 1 12 . 1 1 22 22 SER CB C 25 64.553 64.553 65.383 -0.830 17918 7247 1 12 . 1 1 22 22 SER H H 25 8.657 8.657 8.110 0.547 17918 7248 1 12 . 1 1 23 23 ARG N N 26 129.578 129.578 125.900 3.678 17918 7249 1 12 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.985 0.359 17918 7250 1 12 . 1 1 23 23 ARG C C 26 176.541 176.541 177.593 -1.052 17918 7251 1 12 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.992 0.268 17918 7252 1 12 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.106 0.776 17918 7253 1 12 . 1 1 23 23 ARG H H 26 8.837 8.837 8.935 -0.098 17918 7254 1 12 . 1 1 24 24 ARG N N 27 119.514 119.514 116.158 3.356 17918 7255 1 12 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.189 -0.399 17918 7256 1 12 . 1 1 24 24 ARG C C 27 177.905 177.905 177.663 0.242 17918 7257 1 12 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.377 0.439 17918 7258 1 12 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.590 2.474 17918 7259 1 12 . 1 1 24 24 ARG H H 27 7.439 7.439 7.590 -0.151 17918 7260 1 12 . 1 1 25 25 THR N N 28 127.221 127.221 108.705 18.516 17918 7261 1 12 . 1 1 25 25 THR HA H 28 4.258 4.258 4.357 -0.099 17918 7262 1 12 . 1 1 25 25 THR C C 28 177.078 177.078 175.937 1.141 17918 7263 1 12 . 1 1 25 25 THR CA C 28 62.291 62.291 62.354 -0.063 17918 7264 1 12 . 1 1 25 25 THR CB C 28 71.224 71.224 71.402 -0.178 17918 7265 1 12 . 1 1 25 25 THR H H 28 7.088 7.088 7.597 -0.509 17918 7266 1 12 . 1 1 26 26 GLY N N 29 110.483 110.483 111.291 -0.808 17918 7267 1 12 . 1 1 26 26 GLY C C 29 174.471 174.471 173.410 1.061 17918 7268 1 12 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.404 1.065 17918 7269 1 12 . 1 1 26 26 GLY H H 29 7.678 7.678 8.535 -0.857 17918 7270 1 12 . 1 1 27 27 ASP N N 30 120.302 120.302 119.325 0.977 17918 7271 1 12 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.826 -0.063 17918 7272 1 12 . 1 1 27 27 ASP C C 30 177.147 177.147 174.529 2.618 17918 7273 1 12 . 1 1 27 27 ASP CA C 30 54.763 54.763 53.434 1.329 17918 7274 1 12 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.006 0.944 17918 7275 1 12 . 1 1 27 27 ASP H H 30 8.128 8.128 8.208 -0.080 17918 7276 1 12 . 1 1 28 28 SER N N 31 113.726 113.726 115.128 -1.402 17918 7277 1 12 . 1 1 28 28 SER HA H 31 4.629 4.629 5.376 -0.747 17918 7278 1 12 . 1 1 28 28 SER C C 31 178.127 178.127 175.066 3.061 17918 7279 1 12 . 1 1 28 28 SER CA C 31 58.869 58.869 59.363 -0.494 17918 7280 1 12 . 1 1 28 28 SER CB C 31 64.796 64.796 64.016 0.780 17918 7281 1 12 . 1 1 28 28 SER H H 31 8.633 8.633 8.469 0.164 17918 7282 1 12 . 1 1 29 29 THR N N 32 120.655 120.655 116.520 4.135 17918 7283 1 12 . 1 1 29 29 THR HA H 32 4.589 4.589 4.474 0.115 17918 7284 1 12 . 1 1 29 29 THR C C 32 176.368 176.368 173.479 2.889 17918 7285 1 12 . 1 1 29 29 THR CA C 32 62.892 62.892 61.506 1.386 17918 7286 1 12 . 1 1 29 29 THR CB C 32 69.624 69.624 68.484 1.141 17918 7287 1 12 . 1 1 29 29 THR H H 32 8.397 8.397 8.544 -0.147 17918 7288 1 12 . 1 1 30 30 ALA N N 33 124.923 124.923 124.219 0.704 17918 7289 1 12 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.397 -0.602 17918 7290 1 12 . 1 1 30 30 ALA C C 33 177.708 177.708 176.424 1.284 17918 7291 1 12 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.628 3.200 17918 7292 1 12 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.754 2.095 17918 7293 1 12 . 1 1 30 30 ALA H H 33 8.251 8.251 8.520 -0.269 17918 7294 1 12 . 1 1 31 31 ASP N N 34 114.016 114.016 119.106 -5.090 17918 7295 1 12 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.731 0.000 17918 7296 1 12 . 1 1 31 31 ASP C C 34 176.973 176.973 176.096 0.877 17918 7297 1 12 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.012 0.569 17918 7298 1 12 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.390 -0.490 17918 7299 1 12 . 1 1 31 31 ASP H H 34 8.398 8.398 7.925 0.473 17918 7300 1 12 . 1 1 32 32 VAL N N 35 123.637 123.637 121.336 2.301 17918 7301 1 12 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.544 -0.284 17918 7302 1 12 . 1 1 32 32 VAL C C 35 177.725 177.725 174.615 3.110 17918 7303 1 12 . 1 1 32 32 VAL CA C 35 63.492 63.492 59.881 3.611 17918 7304 1 12 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.995 -0.238 17918 7305 1 12 . 1 1 32 32 VAL H H 35 7.323 7.323 7.425 -0.102 17918 7306 1 12 . 1 1 33 33 THR N N 36 121.552 121.552 120.117 1.435 17918 7307 1 12 . 1 1 33 33 THR HA H 36 4.642 4.642 4.713 -0.071 17918 7308 1 12 . 1 1 33 33 THR C C 36 176.268 176.268 175.564 0.704 17918 7309 1 12 . 1 1 33 33 THR CA C 36 62.597 62.597 60.258 2.339 17918 7310 1 12 . 1 1 33 33 THR CB C 36 72.388 72.388 70.734 1.655 17918 7311 1 12 . 1 1 33 33 THR H H 36 9.078 9.078 8.096 0.982 17918 7312 1 12 . 1 1 34 34 TYR N N 37 122.486 122.486 119.874 2.612 17918 7313 1 12 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.605 -0.171 17918 7314 1 12 . 1 1 34 34 TYR C C 37 177.216 177.216 177.294 -0.078 17918 7315 1 12 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.574 2.467 17918 7316 1 12 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.458 3.036 17918 7317 1 12 . 1 1 34 34 TYR H H 37 9.247 9.247 8.589 0.658 17918 7318 1 12 . 1 1 35 35 GLU N N 38 116.626 116.626 120.208 -3.582 17918 7319 1 12 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.505 0.174 17918 7320 1 12 . 1 1 35 35 GLU C C 38 180.453 180.453 178.931 1.522 17918 7321 1 12 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.617 1.828 17918 7322 1 12 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.816 1.343 17918 7323 1 12 . 1 1 35 35 GLU H H 38 8.782 8.782 7.949 0.833 17918 7324 1 12 . 1 1 36 36 ASP N N 39 120.670 120.670 119.847 0.823 17918 7325 1 12 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.325 0.047 17918 7326 1 12 . 1 1 36 36 ASP C C 39 180.015 180.015 178.482 1.533 17918 7327 1 12 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.222 0.997 17918 7328 1 12 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.627 0.607 17918 7329 1 12 . 1 1 36 36 ASP H H 39 7.916 7.916 8.041 -0.125 17918 7330 1 12 . 1 1 37 37 ALA N N 40 126.126 126.126 123.431 2.695 17918 7331 1 12 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.143 -0.303 17918 7332 1 12 . 1 1 37 37 ALA C C 40 179.923 179.923 179.344 0.579 17918 7333 1 12 . 1 1 37 37 ALA CA C 40 56.345 56.345 54.997 1.348 17918 7334 1 12 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.846 1.007 17918 7335 1 12 . 1 1 37 37 ALA H H 40 8.318 8.318 8.026 0.292 17918 7336 1 12 . 1 1 38 38 ILE N N 41 118.850 118.850 119.276 -0.426 17918 7337 1 12 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.580 -0.112 17918 7338 1 12 . 1 1 38 38 ILE C C 41 179.106 179.106 177.917 1.189 17918 7339 1 12 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.225 -0.846 17918 7340 1 12 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.871 -0.580 17918 7341 1 12 . 1 1 38 38 ILE H H 41 8.151 8.151 8.262 -0.111 17918 7342 1 12 . 1 1 39 39 LYS N N 42 120.585 120.585 119.185 1.400 17918 7343 1 12 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.866 0.118 17918 7344 1 12 . 1 1 39 39 LYS C C 42 180.883 180.883 178.416 2.467 17918 7345 1 12 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.887 0.998 17918 7346 1 12 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.079 1.462 17918 7347 1 12 . 1 1 39 39 LYS H H 42 7.519 7.519 8.296 -0.777 17918 7348 1 12 . 1 1 40 40 GLU N N 43 121.167 121.167 119.917 1.250 17918 7349 1 12 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.039 0.277 17918 7350 1 12 . 1 1 40 40 GLU C C 43 179.969 179.969 178.915 1.054 17918 7351 1 12 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.349 0.657 17918 7352 1 12 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.582 1.159 17918 7353 1 12 . 1 1 40 40 GLU H H 43 7.911 7.911 7.645 0.266 17918 7354 1 12 . 1 1 41 41 LEU N N 44 121.081 121.081 120.466 0.615 17918 7355 1 12 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.220 -0.029 17918 7356 1 12 . 1 1 41 41 LEU C C 44 180.778 180.778 179.791 0.987 17918 7357 1 12 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.470 0.463 17918 7358 1 12 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.634 1.251 17918 7359 1 12 . 1 1 41 41 LEU H H 44 8.424 8.424 7.987 0.437 17918 7360 1 12 . 1 1 42 42 GLN N N 45 121.129 121.129 119.337 1.792 17918 7361 1 12 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.152 -0.123 17918 7362 1 12 . 1 1 42 42 GLN C C 45 179.911 179.911 178.808 1.103 17918 7363 1 12 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.422 1.937 17918 7364 1 12 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.304 0.718 17918 7365 1 12 . 1 1 42 42 GLN H H 45 8.971 8.971 8.343 0.628 17918 7366 1 12 . 1 1 43 43 LYS N N 46 121.830 121.830 120.982 0.848 17918 7367 1 12 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.981 0.026 17918 7368 1 12 . 1 1 43 43 LYS C C 46 180.898 180.898 178.844 2.054 17918 7369 1 12 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.764 0.880 17918 7370 1 12 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.195 0.269 17918 7371 1 12 . 1 1 43 43 LYS H H 46 7.769 7.769 7.607 0.162 17918 7372 1 12 . 1 1 44 44 TRP N N 47 119.737 119.737 121.273 -1.536 17918 7373 1 12 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.230 -0.274 17918 7374 1 12 . 1 1 44 44 TRP C C 47 179.173 179.173 178.511 0.662 17918 7375 1 12 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.081 2.965 17918 7376 1 12 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.580 0.035 17918 7377 1 12 . 1 1 44 44 TRP H H 47 8.002 8.002 8.638 -0.636 17918 7378 1 12 . 1 1 45 45 SER N N 48 114.940 114.940 113.508 1.432 17918 7379 1 12 . 1 1 45 45 SER HA H 48 4.072 4.072 4.039 0.033 17918 7380 1 12 . 1 1 45 45 SER C C 48 178.249 178.249 177.080 1.169 17918 7381 1 12 . 1 1 45 45 SER CA C 48 63.707 63.707 61.688 2.019 17918 7382 1 12 . 1 1 45 45 SER H H 48 8.901 8.901 8.686 0.215 17918 7383 1 12 . 1 1 46 46 GLN N N 49 121.411 121.411 122.764 -1.353 17918 7384 1 12 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.067 0.130 17918 7385 1 12 . 1 1 46 46 GLN C C 49 179.809 179.809 178.000 1.809 17918 7386 1 12 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.972 0.887 17918 7387 1 12 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.693 0.500 17918 7388 1 12 . 1 1 46 46 GLN H H 49 7.950 7.950 7.526 0.424 17918 7389 1 12 . 1 1 47 47 ARG N N 50 121.809 121.809 119.763 2.046 17918 7390 1 12 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.294 -0.243 17918 7391 1 12 . 1 1 47 47 ARG C C 50 179.464 179.464 179.286 0.178 17918 7392 1 12 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.529 1.518 17918 7393 1 12 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.321 1.672 17918 7394 1 12 . 1 1 47 47 ARG H H 50 7.834 7.834 8.226 -0.392 17918 7395 1 12 . 1 1 48 48 ILE N N 51 120.569 120.569 118.322 2.247 17918 7396 1 12 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.246 0.242 17918 7397 1 12 . 1 1 48 48 ILE C C 51 181.848 181.848 178.095 3.753 17918 7398 1 12 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.650 -0.087 17918 7399 1 12 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.903 2.790 17918 7400 1 12 . 1 1 48 48 ILE H H 51 8.127 8.127 8.655 -0.528 17918 7401 1 12 . 1 1 49 49 ALA N N 52 124.538 124.538 121.072 3.466 17918 7402 1 12 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.171 0.038 17918 7403 1 12 . 1 1 49 49 ALA C C 52 181.120 181.120 178.737 2.383 17918 7404 1 12 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.161 2.258 17918 7405 1 12 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.071 0.345 17918 7406 1 12 . 1 1 49 49 ALA H H 52 8.526 8.526 7.446 1.080 17918 7407 1 12 . 1 1 50 50 SER N N 53 111.097 111.097 113.913 -2.816 17918 7408 1 12 . 1 1 50 50 SER HA H 53 4.428 4.428 4.311 0.117 17918 7409 1 12 . 1 1 50 50 SER C C 53 176.608 176.608 176.199 0.409 17918 7410 1 12 . 1 1 50 50 SER CA C 53 60.248 60.248 59.471 0.777 17918 7411 1 12 . 1 1 50 50 SER CB C 53 65.098 65.098 64.333 0.765 17918 7412 1 12 . 1 1 50 50 SER H H 53 8.124 8.124 8.455 -0.331 17918 7413 1 12 . 1 1 51 51 GLY N N 54 110.581 110.581 109.284 1.297 17918 7414 1 12 . 1 1 51 51 GLY C C 54 175.699 175.699 174.915 0.784 17918 7415 1 12 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.807 1.624 17918 7416 1 12 . 1 1 51 51 GLY H H 54 7.904 7.904 8.261 -0.357 17918 7417 1 12 . 1 1 52 52 GLU N N 55 122.231 122.231 120.252 1.979 17918 7418 1 12 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.103 -0.100 17918 7419 1 12 . 1 1 52 52 GLU C C 55 177.647 177.647 176.828 0.819 17918 7420 1 12 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.517 1.571 17918 7421 1 12 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.265 1.358 17918 7422 1 12 . 1 1 52 52 GLU H H 55 8.204 8.204 8.023 0.181 17918 7423 1 12 . 1 1 53 53 VAL N N 56 111.615 111.615 111.189 0.426 17918 7424 1 12 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.544 0.035 17918 7425 1 12 . 1 1 53 53 VAL C C 56 175.225 175.225 174.329 0.896 17918 7426 1 12 . 1 1 53 53 VAL CA C 56 59.684 59.684 60.014 -0.330 17918 7427 1 12 . 1 1 53 53 VAL CB C 56 36.533 36.533 36.022 0.512 17918 7428 1 12 . 1 1 53 53 VAL H H 56 7.274 7.274 7.479 -0.205 17918 7429 1 12 . 1 1 54 54 SER N N 57 119.532 119.532 114.070 5.462 17918 7430 1 12 . 1 1 54 54 SER HA H 57 4.692 4.692 4.807 -0.115 17918 7431 1 12 . 1 1 54 54 SER C C 57 176.092 176.092 175.444 0.648 17918 7432 1 12 . 1 1 54 54 SER CA C 57 58.189 58.189 56.675 1.514 17918 7433 1 12 . 1 1 54 54 SER CB C 57 66.447 66.447 65.197 1.250 17918 7434 1 12 . 1 1 54 54 SER H H 57 8.637 8.637 8.184 0.453 17918 7435 1 12 . 1 1 55 55 PHE N N 58 123.609 123.609 122.409 1.200 17918 7436 1 12 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.124 -0.470 17918 7437 1 12 . 1 1 55 55 PHE C C 58 177.469 177.469 176.822 0.647 17918 7438 1 12 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.950 1.907 17918 7439 1 12 . 1 1 55 55 PHE CB C 58 40.966 40.966 39.062 1.904 17918 7440 1 12 . 1 1 55 55 PHE H H 58 9.326 9.326 9.146 0.180 17918 7441 1 12 . 1 1 56 56 GLU N N 59 116.994 116.994 119.211 -2.217 17918 7442 1 12 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.203 0.002 17918 7443 1 12 . 1 1 56 56 GLU C C 59 180.852 180.852 179.203 1.649 17918 7444 1 12 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.909 1.458 17918 7445 1 12 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.020 0.810 17918 7446 1 12 . 1 1 56 56 GLU H H 59 9.464 9.464 8.518 0.946 17918 7447 1 12 . 1 1 57 57 GLU N N 60 122.452 122.452 118.789 3.663 17918 7448 1 12 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.052 -0.029 17918 7449 1 12 . 1 1 57 57 GLU C C 60 179.899 179.899 178.754 1.145 17918 7450 1 12 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.882 1.131 17918 7451 1 12 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.128 2.057 17918 7452 1 12 . 1 1 57 57 GLU H H 60 7.978 7.978 7.668 0.310 17918 7453 1 12 . 1 1 58 58 ALA N N 61 123.053 123.053 121.432 1.621 17918 7454 1 12 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.373 0.208 17918 7455 1 12 . 1 1 58 58 ALA C C 61 179.854 179.854 179.352 0.502 17918 7456 1 12 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.429 1.452 17918 7457 1 12 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.685 2.375 17918 7458 1 12 . 1 1 58 58 ALA H H 61 8.157 8.157 7.674 0.483 17918 7459 1 12 . 1 1 59 59 ALA N N 62 120.029 120.029 120.807 -0.778 17918 7460 1 12 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.979 -0.427 17918 7461 1 12 . 1 1 59 59 ALA C C 62 181.080 181.080 179.831 1.249 17918 7462 1 12 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.875 1.543 17918 7463 1 12 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.542 -0.500 17918 7464 1 12 . 1 1 59 59 ALA H H 62 8.540 8.540 8.635 -0.095 17918 7465 1 12 . 1 1 60 60 SER N N 63 113.010 113.010 111.557 1.453 17918 7466 1 12 . 1 1 60 60 SER HA H 63 4.766 4.766 4.410 0.356 17918 7467 1 12 . 1 1 60 60 SER C C 63 176.299 176.299 175.615 0.684 17918 7468 1 12 . 1 1 60 60 SER CA C 63 62.414 62.414 61.340 1.074 17918 7469 1 12 . 1 1 60 60 SER CB C 63 64.687 64.687 63.412 1.275 17918 7470 1 12 . 1 1 60 60 SER H H 63 8.013 8.013 7.893 0.120 17918 7471 1 12 . 1 1 61 61 GLN N N 64 115.830 115.830 116.389 -0.559 17918 7472 1 12 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.412 -0.282 17918 7473 1 12 . 1 1 61 61 GLN C C 64 178.579 178.579 176.879 1.700 17918 7474 1 12 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.075 1.291 17918 7475 1 12 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.671 1.705 17918 7476 1 12 . 1 1 61 61 GLN H H 64 7.496 7.496 7.498 -0.002 17918 7477 1 12 . 1 1 62 62 ARG N N 65 115.716 115.716 117.016 -1.300 17918 7478 1 12 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.417 0.044 17918 7479 1 12 . 1 1 62 62 ARG C C 65 176.601 176.601 176.802 -0.201 17918 7480 1 12 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.262 -2.631 17918 7481 1 12 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.804 1.852 17918 7482 1 12 . 1 1 62 62 ARG H H 65 7.693 7.693 8.384 -0.691 17918 7483 1 12 . 1 1 63 63 SER N N 66 114.680 114.680 115.207 -0.527 17918 7484 1 12 . 1 1 63 63 SER HA H 66 4.222 4.222 4.640 -0.418 17918 7485 1 12 . 1 1 63 63 SER C C 66 177.034 177.034 175.000 2.034 17918 7486 1 12 . 1 1 63 63 SER CA C 66 59.677 59.677 58.234 1.443 17918 7487 1 12 . 1 1 63 63 SER CB C 66 65.786 65.786 63.441 2.345 17918 7488 1 12 . 1 1 63 63 SER H H 66 8.528 8.528 7.528 1.000 17918 7489 1 12 . 1 1 64 64 ASP N N 67 123.612 123.612 125.540 -1.928 17918 7490 1 12 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.440 0.459 17918 7491 1 12 . 1 1 64 64 ASP C C 67 176.674 176.674 176.583 0.091 17918 7492 1 12 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.590 -0.599 17918 7493 1 12 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.389 2.268 17918 7494 1 12 . 1 1 64 64 ASP H H 67 9.645 9.645 8.772 0.873 17918 7495 1 12 . 1 1 65 65 CYS N N 68 124.716 124.716 118.421 6.295 17918 7496 1 12 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.509 -0.064 17918 7497 1 12 . 1 1 65 65 CYS C C 68 177.747 177.747 177.102 0.645 17918 7498 1 12 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.825 0.293 17918 7499 1 12 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.662 0.797 17918 7500 1 12 . 1 1 65 65 CYS H H 68 7.903 7.903 7.681 0.222 17918 7501 1 12 . 1 1 66 66 GLY N N 69 118.503 118.503 112.538 5.965 17918 7502 1 12 . 1 1 66 66 GLY C C 69 175.872 175.872 175.270 0.602 17918 7503 1 12 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.509 1.433 17918 7504 1 12 . 1 1 66 66 GLY H H 69 8.811 8.811 9.055 -0.244 17918 7505 1 12 . 1 1 67 67 SER N N 70 120.316 120.316 117.850 2.466 17918 7506 1 12 . 1 1 67 67 SER HA H 70 4.245 4.245 4.046 0.199 17918 7507 1 12 . 1 1 67 67 SER C C 70 178.404 178.404 175.937 2.467 17918 7508 1 12 . 1 1 67 67 SER CA C 70 61.611 61.611 60.394 1.217 17918 7509 1 12 . 1 1 67 67 SER CB C 70 64.297 64.297 62.464 1.833 17918 7510 1 12 . 1 1 67 67 SER H H 70 9.556 9.556 7.763 1.793 17918 7511 1 12 . 1 1 68 68 TYR N N 71 129.376 129.376 121.851 7.525 17918 7512 1 12 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.373 -0.342 17918 7513 1 12 . 1 1 68 68 TYR C C 71 177.613 177.613 177.447 0.166 17918 7514 1 12 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.806 2.587 17918 7515 1 12 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.762 0.035 17918 7516 1 12 . 1 1 68 68 TYR H H 71 8.584 8.584 8.442 0.142 17918 7517 1 12 . 1 1 69 69 ALA N N 72 122.673 122.673 121.315 1.358 17918 7518 1 12 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.922 -0.277 17918 7519 1 12 . 1 1 69 69 ALA C C 72 179.011 179.011 178.200 0.811 17918 7520 1 12 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.590 0.700 17918 7521 1 12 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.037 1.084 17918 7522 1 12 . 1 1 69 69 ALA H H 72 5.645 5.645 7.097 -1.452 17918 7523 1 12 . 1 1 70 70 SER N N 73 114.496 114.496 112.523 1.973 17918 7524 1 12 . 1 1 70 70 SER HA H 73 4.782 4.782 4.412 0.370 17918 7525 1 12 . 1 1 70 70 SER C C 73 177.320 177.320 175.167 2.153 17918 7526 1 12 . 1 1 70 70 SER CA C 73 57.287 57.287 58.194 -0.907 17918 7527 1 12 . 1 1 70 70 SER CB C 73 64.538 64.538 64.229 0.309 17918 7528 1 12 . 1 1 70 70 SER H H 73 7.654 7.654 7.144 0.510 17918 7529 1 12 . 1 1 71 71 GLY N N 74 112.182 112.182 107.908 4.274 17918 7530 1 12 . 1 1 71 71 GLY C C 74 174.379 174.379 174.921 -0.542 17918 7531 1 12 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.265 3.169 17918 7532 1 12 . 1 1 71 71 GLY H H 74 7.933 7.933 7.540 0.393 17918 7533 1 12 . 1 1 72 72 GLY N N 75 126.463 126.463 108.355 18.108 17918 7534 1 12 . 1 1 72 72 GLY C C 75 175.121 175.121 172.260 2.861 17918 7535 1 12 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.674 0.398 17918 7536 1 12 . 1 1 72 72 GLY H H 75 7.994 7.994 8.472 -0.478 17918 7537 1 12 . 1 1 73 73 ASP N N 76 118.815 118.815 120.116 -1.301 17918 7538 1 12 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.338 0.076 17918 7539 1 12 . 1 1 73 73 ASP C C 76 177.362 177.362 174.600 2.762 17918 7540 1 12 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.243 2.880 17918 7541 1 12 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.665 -0.214 17918 7542 1 12 . 1 1 73 73 ASP H H 76 6.956 6.956 7.447 -0.491 17918 7543 1 12 . 1 1 74 74 LEU N N 77 128.720 128.720 122.754 5.966 17918 7544 1 12 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.440 -0.085 17918 7545 1 12 . 1 1 74 74 LEU C C 77 179.412 179.412 177.428 1.984 17918 7546 1 12 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.511 2.623 17918 7547 1 12 . 1 1 74 74 LEU CB C 77 44.842 44.842 42.990 1.852 17918 7548 1 12 . 1 1 74 74 LEU H H 77 8.694 8.694 8.228 0.466 17918 7549 1 12 . 1 1 75 75 GLY N N 78 109.695 109.695 108.297 1.398 17918 7550 1 12 . 1 1 75 75 GLY C C 78 173.473 173.473 174.586 -1.113 17918 7551 1 12 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.093 0.253 17918 7552 1 12 . 1 1 75 75 GLY H H 78 8.682 8.682 7.743 0.939 17918 7553 1 12 . 1 1 76 76 PHE N N 79 115.646 115.646 115.427 0.219 17918 7554 1 12 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.333 0.886 17918 7555 1 12 . 1 1 76 76 PHE C C 79 178.904 178.904 174.935 3.969 17918 7556 1 12 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.092 0.364 17918 7557 1 12 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.549 4.268 17918 7558 1 12 . 1 1 76 76 PHE H H 79 8.203 8.203 7.437 0.766 17918 7559 1 12 . 1 1 77 77 PHE N N 80 119.508 119.508 119.585 -0.077 17918 7560 1 12 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.123 0.014 17918 7561 1 12 . 1 1 77 77 PHE C C 80 174.331 174.331 174.477 -0.146 17918 7562 1 12 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.198 1.698 17918 7563 1 12 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.566 0.897 17918 7564 1 12 . 1 1 77 77 PHE H H 80 9.112 9.112 9.104 0.008 17918 7565 1 12 . 1 1 78 78 SER N N 81 116.578 116.578 116.933 -0.355 17918 7566 1 12 . 1 1 78 78 SER HA H 81 4.957 4.957 4.940 0.017 17918 7567 1 12 . 1 1 78 78 SER C C 81 176.191 176.191 174.708 1.483 17918 7568 1 12 . 1 1 78 78 SER CA C 81 58.065 58.065 56.569 1.496 17918 7569 1 12 . 1 1 78 78 SER CB C 81 66.514 66.514 64.158 2.356 17918 7570 1 12 . 1 1 78 78 SER H H 81 8.930 8.930 9.584 -0.654 17918 7571 1 12 . 1 1 79 79 SER N N 82 118.715 118.715 120.308 -1.593 17918 7572 1 12 . 1 1 79 79 SER HA H 82 4.420 4.420 4.007 0.413 17918 7573 1 12 . 1 1 79 79 SER C C 82 176.946 176.946 174.673 2.273 17918 7574 1 12 . 1 1 79 79 SER CA C 82 60.988 60.988 60.611 0.377 17918 7575 1 12 . 1 1 79 79 SER CB C 82 64.242 64.242 61.913 2.329 17918 7576 1 12 . 1 1 79 79 SER H H 82 8.751 8.751 9.003 -0.252 17918 7577 1 12 . 1 1 80 80 GLY N N 83 117.069 117.069 110.478 6.591 17918 7578 1 12 . 1 1 80 80 GLY C C 83 175.628 175.628 173.837 1.791 17918 7579 1 12 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.023 1.609 17918 7580 1 12 . 1 1 80 80 GLY H H 83 10.009 10.009 8.102 1.907 17918 7581 1 12 . 1 1 81 81 GLU N N 84 120.322 120.322 120.143 0.179 17918 7582 1 12 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.499 -0.268 17918 7583 1 12 . 1 1 81 81 GLU C C 84 178.456 178.456 176.490 1.966 17918 7584 1 12 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.904 2.823 17918 7585 1 12 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.203 2.518 17918 7586 1 12 . 1 1 81 81 GLU H H 84 7.812 7.812 8.837 -1.025 17918 7587 1 12 . 1 1 82 82 MET N N 85 117.156 117.156 115.911 1.245 17918 7588 1 12 . 1 1 82 82 MET HA H 85 4.569 4.569 4.674 -0.105 17918 7589 1 12 . 1 1 82 82 MET C C 85 176.991 176.991 175.175 1.816 17918 7590 1 12 . 1 1 82 82 MET CA C 85 53.174 53.174 54.080 -0.906 17918 7591 1 12 . 1 1 82 82 MET CB C 85 34.386 34.386 33.582 0.804 17918 7592 1 12 . 1 1 82 82 MET H H 85 8.601 8.601 7.553 1.048 17918 7593 1 12 . 1 1 83 83 MET N N 86 119.413 119.413 119.366 0.047 17918 7594 1 12 . 1 1 83 83 MET HA H 86 4.273 4.273 4.453 -0.180 17918 7595 1 12 . 1 1 83 83 MET C C 86 178.979 178.979 177.500 1.479 17918 7596 1 12 . 1 1 83 83 MET CA C 86 58.320 58.320 55.611 2.709 17918 7597 1 12 . 1 1 83 83 MET CB C 86 34.339 34.339 33.060 1.278 17918 7598 1 12 . 1 1 83 83 MET H H 86 8.413 8.413 8.374 0.039 17918 7599 1 12 . 1 1 84 84 LYS N N 87 126.834 126.834 122.836 3.998 17918 7600 1 12 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.054 0.686 17918 7601 1 12 . 1 1 84 84 LYS C C 87 175.267 175.267 176.557 -1.290 17918 7602 1 12 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.663 0.798 17918 7603 1 12 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.304 1.131 17918 7604 1 12 . 1 1 84 84 LYS H H 87 9.099 9.099 8.886 0.213 17918 7605 1 12 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.306 0.159 17918 7606 1 12 . 1 1 85 85 PRO C C 88 180.671 180.671 178.308 2.363 17918 7607 1 12 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.605 1.138 17918 7608 1 12 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.325 0.931 17918 7609 1 12 . 1 1 86 86 PHE N N 89 116.583 116.583 118.946 -2.363 17918 7610 1 12 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.129 -0.482 17918 7611 1 12 . 1 1 86 86 PHE C C 89 177.086 177.086 176.948 0.138 17918 7612 1 12 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.556 0.928 17918 7613 1 12 . 1 1 86 86 PHE CB C 89 41.510 41.510 38.790 2.720 17918 7614 1 12 . 1 1 86 86 PHE H H 89 7.102 7.102 7.882 -0.780 17918 7615 1 12 . 1 1 87 87 GLU N N 90 120.506 120.506 119.598 0.908 17918 7616 1 12 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.698 0.026 17918 7617 1 12 . 1 1 87 87 GLU C C 90 179.102 179.102 178.600 0.502 17918 7618 1 12 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.628 2.229 17918 7619 1 12 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.403 1.381 17918 7620 1 12 . 1 1 87 87 GLU H H 90 8.126 8.126 8.726 -0.600 17918 7621 1 12 . 1 1 88 88 ASP N N 91 118.355 118.355 119.687 -1.332 17918 7622 1 12 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.353 -0.118 17918 7623 1 12 . 1 1 88 88 ASP C C 91 180.067 180.067 178.324 1.743 17918 7624 1 12 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.291 1.013 17918 7625 1 12 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.761 0.265 17918 7626 1 12 . 1 1 88 88 ASP H H 91 9.121 9.121 8.297 0.824 17918 7627 1 12 . 1 1 89 89 ALA N N 92 121.718 121.718 121.141 0.577 17918 7628 1 12 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.085 -0.013 17918 7629 1 12 . 1 1 89 89 ALA C C 92 181.131 181.131 179.442 1.689 17918 7630 1 12 . 1 1 89 89 ALA CA C 92 55.845 55.845 55.167 0.678 17918 7631 1 12 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.371 1.728 17918 7632 1 12 . 1 1 89 89 ALA H H 92 7.154 7.154 7.567 -0.413 17918 7633 1 12 . 1 1 90 90 VAL N N 93 117.315 117.315 116.892 0.423 17918 7634 1 12 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.648 -0.233 17918 7635 1 12 . 1 1 90 90 VAL C C 93 178.908 178.908 177.846 1.062 17918 7636 1 12 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.859 1.895 17918 7637 1 12 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.439 0.910 17918 7638 1 12 . 1 1 90 90 VAL H H 93 7.797 7.797 7.029 0.768 17918 7639 1 12 . 1 1 91 91 ARG N N 94 116.826 116.826 117.995 -1.169 17918 7640 1 12 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.185 -0.331 17918 7641 1 12 . 1 1 91 91 ARG C C 94 177.858 177.858 177.527 0.331 17918 7642 1 12 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.256 2.210 17918 7643 1 12 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.034 1.054 17918 7644 1 12 . 1 1 91 91 ARG H H 94 8.154 8.154 7.589 0.565 17918 7645 1 12 . 1 1 92 92 ALA N N 95 118.849 118.849 121.302 -2.453 17918 7646 1 12 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.221 0.072 17918 7647 1 12 . 1 1 92 92 ALA C C 95 178.452 178.452 177.635 0.817 17918 7648 1 12 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.236 0.241 17918 7649 1 12 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.023 1.124 17918 7650 1 12 . 1 1 92 92 ALA H H 95 7.067 7.067 7.444 -0.377 17918 7651 1 12 . 1 1 93 93 LEU N N 96 120.871 120.871 112.743 8.128 17918 7652 1 12 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.797 -0.283 17918 7653 1 12 . 1 1 93 93 LEU C C 96 179.045 179.045 175.558 3.487 17918 7654 1 12 . 1 1 93 93 LEU CA C 96 55.163 55.163 52.737 2.426 17918 7655 1 12 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.780 1.152 17918 7656 1 12 . 1 1 93 93 LEU H H 96 7.396 7.396 7.379 0.017 17918 7657 1 12 . 1 1 94 94 LYS N N 97 121.289 121.289 120.450 0.839 17918 7658 1 12 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.409 -0.001 17918 7659 1 12 . 1 1 94 94 LYS C C 97 178.629 178.629 176.587 2.042 17918 7660 1 12 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.783 1.511 17918 7661 1 12 . 1 1 94 94 LYS CB C 97 33.395 33.395 33.835 -0.440 17918 7662 1 12 . 1 1 94 94 LYS H H 97 8.274 8.274 8.554 -0.280 17918 7663 1 12 . 1 1 95 95 ILE N N 98 122.343 122.343 123.689 -1.346 17918 7664 1 12 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.692 -0.627 17918 7665 1 12 . 1 1 95 95 ILE C C 98 178.406 178.406 176.889 1.517 17918 7666 1 12 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.314 2.980 17918 7667 1 12 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.839 1.323 17918 7668 1 12 . 1 1 95 95 ILE H H 98 8.396 8.396 8.508 -0.112 17918 7669 1 12 . 1 1 96 96 GLY N N 99 118.074 118.074 116.059 2.015 17918 7670 1 12 . 1 1 96 96 GLY C C 99 174.605 174.605 174.378 0.227 17918 7671 1 12 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.568 1.605 17918 7672 1 12 . 1 1 96 96 GLY H H 99 8.988 8.988 8.992 -0.004 17918 7673 1 12 . 1 1 97 97 ASP N N 100 121.984 121.984 122.532 -0.548 17918 7674 1 12 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.879 -0.084 17918 7675 1 12 . 1 1 97 97 ASP C C 100 175.344 175.344 175.403 -0.059 17918 7676 1 12 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.508 0.529 17918 7677 1 12 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.358 1.595 17918 7678 1 12 . 1 1 97 97 ASP H H 100 7.978 7.978 8.531 -0.553 17918 7679 1 12 . 1 1 98 98 ILE N N 101 117.483 117.483 120.974 -3.491 17918 7680 1 12 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.664 0.496 17918 7681 1 12 . 1 1 98 98 ILE C C 101 178.147 178.147 175.404 2.743 17918 7682 1 12 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.235 0.101 17918 7683 1 12 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.277 0.016 17918 7684 1 12 . 1 1 98 98 ILE H H 101 8.048 8.048 8.241 -0.193 17918 7685 1 12 . 1 1 99 99 SER N N 102 126.778 126.778 124.120 2.658 17918 7686 1 12 . 1 1 99 99 SER HA H 102 4.526 4.526 5.068 -0.542 17918 7687 1 12 . 1 1 99 99 SER C C 102 172.735 172.735 172.917 -0.182 17918 7688 1 12 . 1 1 99 99 SER CA C 102 59.441 59.441 55.977 3.463 17918 7689 1 12 . 1 1 99 99 SER CB C 102 64.572 64.572 63.363 1.209 17918 7690 1 12 . 1 1 99 99 SER H H 102 9.722 9.722 9.208 0.514 17918 7691 1 12 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.578 0.241 17918 7692 1 12 . 1 1 100 100 PRO C C 103 176.647 176.647 176.762 -0.115 17918 7693 1 12 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.306 0.822 17918 7694 1 12 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.378 1.061 17918 7695 1 12 . 1 1 101 101 ILE N N 104 120.048 120.048 117.918 2.130 17918 7696 1 12 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.410 -0.103 17918 7697 1 12 . 1 1 101 101 ILE C C 104 178.021 178.021 176.084 1.937 17918 7698 1 12 . 1 1 101 101 ILE CA C 104 65.141 65.141 60.857 4.284 17918 7699 1 12 . 1 1 101 101 ILE CB C 104 38.970 38.970 36.361 2.609 17918 7700 1 12 . 1 1 101 101 ILE H H 104 8.199 8.199 8.269 -0.070 17918 7701 1 12 . 1 1 102 102 VAL N N 105 130.676 130.676 129.223 1.453 17918 7702 1 12 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.327 0.030 17918 7703 1 12 . 1 1 102 102 VAL C C 105 175.118 175.118 175.291 -0.173 17918 7704 1 12 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.393 0.414 17918 7705 1 12 . 1 1 102 102 VAL CB C 105 37.383 37.383 32.544 4.839 17918 7706 1 12 . 1 1 102 102 VAL H H 105 9.285 9.285 9.362 -0.077 17918 7707 1 12 . 1 1 103 103 GLN N N 106 128.464 128.464 127.473 0.991 17918 7708 1 12 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.592 0.857 17918 7709 1 12 . 1 1 103 103 GLN C C 106 176.704 176.704 175.933 0.771 17918 7710 1 12 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.875 -0.815 17918 7711 1 12 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.166 1.866 17918 7712 1 12 . 1 1 103 103 GLN H H 106 8.900 8.900 8.902 -0.002 17918 7713 1 12 . 1 1 104 104 THR N N 107 116.680 116.680 117.799 -1.119 17918 7714 1 12 . 1 1 104 104 THR HA H 107 4.978 4.978 4.807 0.171 17918 7715 1 12 . 1 1 104 104 THR C C 107 177.189 177.189 174.456 2.733 17918 7716 1 12 . 1 1 104 104 THR CA C 107 61.836 61.836 59.413 2.423 17918 7717 1 12 . 1 1 104 104 THR CB C 107 73.663 73.663 71.049 2.614 17918 7718 1 12 . 1 1 104 104 THR H H 107 9.275 9.275 8.791 0.484 17918 7719 1 12 . 1 1 105 105 ASP N N 108 119.651 119.651 120.372 -0.721 17918 7720 1 12 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.353 0.225 17918 7721 1 12 . 1 1 105 105 ASP C C 108 179.034 179.034 177.100 1.934 17918 7722 1 12 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.353 0.602 17918 7723 1 12 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.963 1.053 17918 7724 1 12 . 1 1 105 105 ASP H H 108 8.945 8.945 8.941 0.004 17918 7725 1 12 . 1 1 106 106 SER N N 109 114.257 114.257 113.371 0.886 17918 7726 1 12 . 1 1 106 106 SER HA H 109 4.642 4.642 4.284 0.358 17918 7727 1 12 . 1 1 106 106 SER C C 109 177.224 177.224 174.219 3.005 17918 7728 1 12 . 1 1 106 106 SER CA C 109 62.788 62.788 60.198 2.590 17918 7729 1 12 . 1 1 106 106 SER CB C 109 64.767 64.767 63.516 1.251 17918 7730 1 12 . 1 1 106 106 SER H H 109 8.968 8.968 8.432 0.536 17918 7731 1 12 . 1 1 107 107 GLY N N 110 111.288 111.288 106.641 4.647 17918 7732 1 12 . 1 1 107 107 GLY C C 110 169.468 169.468 172.192 -2.724 17918 7733 1 12 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.096 1.602 17918 7734 1 12 . 1 1 107 107 GLY H H 110 7.829 7.829 7.669 0.160 17918 7735 1 12 . 1 1 108 108 LEU N N 111 122.506 122.506 121.482 1.024 17918 7736 1 12 . 1 1 108 108 LEU HA H 111 5.371 5.371 4.761 0.610 17918 7737 1 12 . 1 1 108 108 LEU C C 111 175.948 175.948 175.205 0.743 17918 7738 1 12 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.069 0.207 17918 7739 1 12 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.038 0.737 17918 7740 1 12 . 1 1 108 108 LEU H H 111 8.143 8.143 8.559 -0.416 17918 7741 1 12 . 1 1 109 109 HIS N N 112 119.518 119.518 121.964 -2.446 17918 7742 1 12 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.824 0.271 17918 7743 1 12 . 1 1 109 109 HIS C C 112 179.186 179.186 174.740 4.446 17918 7744 1 12 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.715 0.665 17918 7745 1 12 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.425 0.413 17918 7746 1 12 . 1 1 109 109 HIS H H 112 9.764 9.764 8.553 1.211 17918 7747 1 12 . 1 1 110 110 ILE N N 113 113.128 113.128 119.732 -6.604 17918 7748 1 12 . 1 1 110 110 ILE HA H 113 4.459 4.459 5.242 -0.783 17918 7749 1 12 . 1 1 110 110 ILE C C 113 176.666 176.666 174.445 2.221 17918 7750 1 12 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.796 4.641 17918 7751 1 12 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.285 2.451 17918 7752 1 12 . 1 1 110 110 ILE H H 113 8.117 8.117 8.328 -0.211 17918 7753 1 12 . 1 1 111 111 ILE N N 114 125.121 125.121 122.873 2.248 17918 7754 1 12 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.370 -0.600 17918 7755 1 12 . 1 1 111 111 ILE C C 114 173.792 173.792 174.348 -0.556 17918 7756 1 12 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.709 2.275 17918 7757 1 12 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.341 1.342 17918 7758 1 12 . 1 1 111 111 ILE H H 114 8.604 8.604 8.578 0.026 17918 7759 1 12 . 1 1 112 112 LYS N N 115 127.966 127.966 121.715 6.251 17918 7760 1 12 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.375 -0.202 17918 7761 1 12 . 1 1 112 112 LYS C C 115 177.267 177.267 174.873 2.394 17918 7762 1 12 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.193 0.182 17918 7763 1 12 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.848 -0.335 17918 7764 1 12 . 1 1 112 112 LYS H H 115 9.075 9.075 9.106 -0.031 17918 7765 1 12 . 1 1 113 113 ARG N N 116 126.762 126.762 123.188 3.574 17918 7766 1 12 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.310 0.025 17918 7767 1 12 . 1 1 113 113 ARG C C 116 176.109 176.109 176.093 0.016 17918 7768 1 12 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.628 2.195 17918 7769 1 12 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.175 0.682 17918 7770 1 12 . 1 1 113 113 ARG H H 116 7.830 7.830 8.541 -0.711 17918 7771 1 12 . 1 1 114 114 LEU N N 117 128.545 128.545 128.227 0.318 17918 7772 1 12 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.672 -0.049 17918 7773 1 12 . 1 1 114 114 LEU C C 117 176.857 176.857 175.842 1.015 17918 7774 1 12 . 1 1 114 114 LEU CA C 117 55.992 55.992 55.084 0.908 17918 7775 1 12 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.410 1.729 17918 7776 1 12 . 1 1 114 114 LEU H H 117 8.534 8.534 8.930 -0.396 17918 7777 1 13 . 1 1 2 2 SER N N 5 117.478 117.478 116.862 0.616 17918 7778 1 13 . 1 1 2 2 SER HA H 5 4.393 4.393 4.350 0.043 17918 7779 1 13 . 1 1 2 2 SER C C 5 175.466 175.466 174.899 0.567 17918 7780 1 13 . 1 1 2 2 SER CA C 5 59.622 59.622 59.947 -0.325 17918 7781 1 13 . 1 1 2 2 SER CB C 5 64.896 64.896 63.039 1.857 17918 7782 1 13 . 1 1 2 2 SER H H 5 8.317 8.317 8.263 0.054 17918 7783 1 13 . 1 1 3 3 GLU N N 6 123.783 123.783 120.963 2.820 17918 7784 1 13 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.380 -0.102 17918 7785 1 13 . 1 1 3 3 GLU C C 6 177.189 177.189 175.492 1.697 17918 7786 1 13 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.078 2.713 17918 7787 1 13 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.586 0.982 17918 7788 1 13 . 1 1 3 3 GLU H H 6 8.359 8.359 7.642 0.717 17918 7789 1 13 . 1 1 4 4 LYS N N 7 122.875 122.875 117.377 5.498 17918 7790 1 13 . 1 1 4 4 LYS HA H 7 4.514 4.514 3.979 0.535 17918 7791 1 13 . 1 1 4 4 LYS C C 7 176.557 176.557 174.590 1.967 17918 7792 1 13 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.084 -0.258 17918 7793 1 13 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.409 3.984 17918 7794 1 13 . 1 1 4 4 LYS H H 7 8.193 8.193 8.502 -0.309 17918 7795 1 13 . 1 1 5 5 LEU N N 8 123.258 123.258 121.451 1.807 17918 7796 1 13 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.662 -0.268 17918 7797 1 13 . 1 1 5 5 LEU C C 8 175.699 175.699 174.222 1.477 17918 7798 1 13 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.847 0.695 17918 7799 1 13 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.578 -0.066 17918 7800 1 13 . 1 1 5 5 LEU H H 8 8.265 8.265 8.610 -0.345 17918 7801 1 13 . 1 1 6 6 ARG N N 9 117.197 117.197 119.239 -2.042 17918 7802 1 13 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.923 -0.319 17918 7803 1 13 . 1 1 6 6 ARG C C 9 175.633 175.633 173.907 1.726 17918 7804 1 13 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.056 2.119 17918 7805 1 13 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.210 2.210 17918 7806 1 13 . 1 1 6 6 ARG H H 9 7.759 7.759 8.629 -0.870 17918 7807 1 13 . 1 1 7 7 ALA N N 10 126.954 126.954 126.771 0.183 17918 7808 1 13 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.105 0.035 17918 7809 1 13 . 1 1 7 7 ALA C C 10 174.004 174.004 174.598 -0.594 17918 7810 1 13 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.404 0.463 17918 7811 1 13 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.143 1.864 17918 7812 1 13 . 1 1 7 7 ALA H H 10 7.637 7.637 8.699 -1.062 17918 7813 1 13 . 1 1 8 8 ALA N N 11 122.081 122.081 121.840 0.241 17918 7814 1 13 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.624 1.166 17918 7815 1 13 . 1 1 8 8 ALA C C 11 177.446 177.446 174.799 2.647 17918 7816 1 13 . 1 1 8 8 ALA CA C 11 50.276 50.276 49.973 0.303 17918 7817 1 13 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.896 2.725 17918 7818 1 13 . 1 1 8 8 ALA H H 11 8.991 8.991 8.692 0.299 17918 7819 1 13 . 1 1 9 9 HIS N N 12 118.002 118.002 119.200 -1.198 17918 7820 1 13 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.570 0.559 17918 7821 1 13 . 1 1 9 9 HIS C C 12 172.689 172.689 172.839 -0.150 17918 7822 1 13 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.580 1.516 17918 7823 1 13 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.197 5.535 17918 7824 1 13 . 1 1 9 9 HIS H H 12 9.489 9.489 7.902 1.587 17918 7825 1 13 . 1 1 10 10 LEU N N 13 126.276 126.276 120.332 5.944 17918 7826 1 13 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.994 -1.088 17918 7827 1 13 . 1 1 10 10 LEU C C 13 174.163 174.163 174.589 -0.426 17918 7828 1 13 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.627 3.076 17918 7829 1 13 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.054 -0.487 17918 7830 1 13 . 1 1 10 10 LEU H H 13 8.866 8.866 9.176 -0.310 17918 7831 1 13 . 1 1 11 11 LEU N N 14 127.134 127.134 125.320 1.814 17918 7832 1 13 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.415 -0.677 17918 7833 1 13 . 1 1 11 11 LEU C C 14 175.626 175.626 174.833 0.793 17918 7834 1 13 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.220 0.383 17918 7835 1 13 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.290 0.405 17918 7836 1 13 . 1 1 11 11 LEU H H 14 7.762 7.762 8.438 -0.676 17918 7837 1 13 . 1 1 12 12 VAL N N 15 129.450 129.450 127.176 2.274 17918 7838 1 13 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.737 -0.327 17918 7839 1 13 . 1 1 12 12 VAL C C 15 177.055 177.055 174.562 2.493 17918 7840 1 13 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.215 1.626 17918 7841 1 13 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.911 -0.522 17918 7842 1 13 . 1 1 12 12 VAL H H 15 9.667 9.667 8.982 0.685 17918 7843 1 13 . 1 1 13 13 LYS N N 16 127.188 127.188 127.578 -0.390 17918 7844 1 13 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.668 -0.186 17918 7845 1 13 . 1 1 13 13 LYS C C 16 176.034 176.034 175.201 0.833 17918 7846 1 13 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.093 3.072 17918 7847 1 13 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.066 3.728 17918 7848 1 13 . 1 1 13 13 LYS H H 16 9.138 9.138 9.122 0.016 17918 7849 1 13 . 1 1 14 14 PHE N N 17 117.138 117.138 119.857 -2.719 17918 7850 1 13 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.918 0.336 17918 7851 1 13 . 1 1 14 14 PHE C C 17 176.588 176.588 176.539 0.049 17918 7852 1 13 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.190 2.398 17918 7853 1 13 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.044 0.315 17918 7854 1 13 . 1 1 14 14 PHE H H 17 8.617 8.617 7.972 0.645 17918 7855 1 13 . 1 1 15 15 SER N N 18 120.047 120.047 117.516 2.531 17918 7856 1 13 . 1 1 15 15 SER HA H 18 4.019 4.019 4.172 -0.153 17918 7857 1 13 . 1 1 15 15 SER C C 18 180.099 180.099 175.643 4.456 17918 7858 1 13 . 1 1 15 15 SER CA C 18 62.865 62.865 61.418 1.447 17918 7859 1 13 . 1 1 15 15 SER CB C 18 64.300 64.300 63.282 1.018 17918 7860 1 13 . 1 1 15 15 SER H H 18 9.437 9.437 9.083 0.354 17918 7861 1 13 . 1 1 16 16 GLY C C 19 175.458 175.458 174.651 0.807 17918 7862 1 13 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.792 0.990 17918 7863 1 13 . 1 1 17 17 SER N N 20 120.550 120.550 115.914 4.636 17918 7864 1 13 . 1 1 17 17 SER HA H 20 3.839 3.839 3.973 -0.134 17918 7865 1 13 . 1 1 17 17 SER C C 20 174.702 174.702 174.973 -0.271 17918 7866 1 13 . 1 1 17 17 SER CA C 20 62.099 62.099 57.727 4.372 17918 7867 1 13 . 1 1 17 17 SER CB C 20 65.081 65.081 64.522 0.559 17918 7868 1 13 . 1 1 17 17 SER H H 20 7.236 7.236 7.267 -0.031 17918 7869 1 13 . 1 1 18 18 ARG N N 21 123.998 123.998 118.127 5.871 17918 7870 1 13 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.102 -0.039 17918 7871 1 13 . 1 1 18 18 ARG C C 21 177.005 177.005 176.078 0.927 17918 7872 1 13 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.278 1.317 17918 7873 1 13 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.626 -0.520 17918 7874 1 13 . 1 1 18 18 ARG H H 21 8.544 8.544 8.464 0.080 17918 7875 1 13 . 1 1 19 19 ASN N N 22 116.403 116.403 114.070 2.333 17918 7876 1 13 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.999 0.265 17918 7877 1 13 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.781 0.039 17918 7878 1 13 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.660 0.835 17918 7879 1 13 . 1 1 19 19 ASN H H 22 8.412 8.412 7.745 0.667 17918 7880 1 13 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.549 -0.211 17918 7881 1 13 . 1 1 20 20 PRO C C 23 176.381 176.381 175.199 1.182 17918 7882 1 13 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.642 1.922 17918 7883 1 13 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.277 -0.967 17918 7884 1 13 . 1 1 21 21 VAL N N 24 126.905 126.905 119.274 7.631 17918 7885 1 13 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.347 0.001 17918 7886 1 13 . 1 1 21 21 VAL C C 24 176.393 176.393 173.525 2.868 17918 7887 1 13 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.837 3.002 17918 7888 1 13 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.722 0.264 17918 7889 1 13 . 1 1 21 21 VAL H H 24 8.810 8.810 7.783 1.027 17918 7890 1 13 . 1 1 22 22 SER N N 25 121.164 121.164 118.552 2.612 17918 7891 1 13 . 1 1 22 22 SER HA H 25 4.296 4.296 4.974 -0.678 17918 7892 1 13 . 1 1 22 22 SER C C 25 178.264 178.264 175.201 3.063 17918 7893 1 13 . 1 1 22 22 SER CA C 25 59.682 59.682 55.799 3.883 17918 7894 1 13 . 1 1 22 22 SER CB C 25 64.553 64.553 65.512 -0.959 17918 7895 1 13 . 1 1 22 22 SER H H 25 8.657 8.657 7.960 0.697 17918 7896 1 13 . 1 1 23 23 ARG N N 26 129.578 129.578 125.425 4.153 17918 7897 1 13 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.072 0.272 17918 7898 1 13 . 1 1 23 23 ARG C C 26 176.541 176.541 177.686 -1.145 17918 7899 1 13 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.365 0.895 17918 7900 1 13 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.567 0.315 17918 7901 1 13 . 1 1 23 23 ARG H H 26 8.837 8.837 9.328 -0.491 17918 7902 1 13 . 1 1 24 24 ARG N N 27 119.514 119.514 115.582 3.932 17918 7903 1 13 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.254 -0.464 17918 7904 1 13 . 1 1 24 24 ARG C C 27 177.905 177.905 177.364 0.541 17918 7905 1 13 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.222 0.594 17918 7906 1 13 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.642 2.422 17918 7907 1 13 . 1 1 24 24 ARG H H 27 7.439 7.439 7.808 -0.369 17918 7908 1 13 . 1 1 25 25 THR N N 28 127.221 127.221 107.518 19.703 17918 7909 1 13 . 1 1 25 25 THR HA H 28 4.258 4.258 4.416 -0.158 17918 7910 1 13 . 1 1 25 25 THR C C 28 177.078 177.078 175.897 1.181 17918 7911 1 13 . 1 1 25 25 THR CA C 28 62.291 62.291 62.132 0.159 17918 7912 1 13 . 1 1 25 25 THR CB C 28 71.224 71.224 71.401 -0.177 17918 7913 1 13 . 1 1 25 25 THR H H 28 7.088 7.088 7.415 -0.327 17918 7914 1 13 . 1 1 26 26 GLY N N 29 110.483 110.483 110.795 -0.312 17918 7915 1 13 . 1 1 26 26 GLY C C 29 174.471 174.471 173.945 0.526 17918 7916 1 13 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.765 0.704 17918 7917 1 13 . 1 1 26 26 GLY H H 29 7.678 7.678 8.591 -0.913 17918 7918 1 13 . 1 1 27 27 ASP N N 30 120.302 120.302 119.422 0.880 17918 7919 1 13 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.824 -0.061 17918 7920 1 13 . 1 1 27 27 ASP C C 30 177.147 177.147 175.230 1.917 17918 7921 1 13 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.642 0.121 17918 7922 1 13 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.255 0.695 17918 7923 1 13 . 1 1 27 27 ASP H H 30 8.128 8.128 8.265 -0.137 17918 7924 1 13 . 1 1 28 28 SER N N 31 113.726 113.726 113.188 0.538 17918 7925 1 13 . 1 1 28 28 SER HA H 31 4.629 4.629 4.790 -0.161 17918 7926 1 13 . 1 1 28 28 SER C C 31 178.127 178.127 172.827 5.300 17918 7927 1 13 . 1 1 28 28 SER CA C 31 58.869 58.869 58.163 0.706 17918 7928 1 13 . 1 1 28 28 SER CB C 31 64.796 64.796 66.629 -1.833 17918 7929 1 13 . 1 1 28 28 SER H H 31 8.633 8.633 7.774 0.859 17918 7930 1 13 . 1 1 29 29 THR N N 32 120.655 120.655 116.778 3.877 17918 7931 1 13 . 1 1 29 29 THR HA H 32 4.589 4.589 4.685 -0.096 17918 7932 1 13 . 1 1 29 29 THR C C 32 176.368 176.368 173.459 2.909 17918 7933 1 13 . 1 1 29 29 THR CA C 32 62.892 62.892 62.066 0.825 17918 7934 1 13 . 1 1 29 29 THR CB C 32 69.624 69.624 68.978 0.646 17918 7935 1 13 . 1 1 29 29 THR H H 32 8.397 8.397 8.937 -0.540 17918 7936 1 13 . 1 1 30 30 ALA N N 33 124.923 124.923 125.363 -0.440 17918 7937 1 13 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.363 -0.568 17918 7938 1 13 . 1 1 30 30 ALA C C 33 177.708 177.708 176.565 1.143 17918 7939 1 13 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.726 3.102 17918 7940 1 13 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.726 2.123 17918 7941 1 13 . 1 1 30 30 ALA H H 33 8.251 8.251 8.519 -0.268 17918 7942 1 13 . 1 1 31 31 ASP N N 34 114.016 114.016 117.170 -3.154 17918 7943 1 13 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.623 0.108 17918 7944 1 13 . 1 1 31 31 ASP C C 34 176.973 176.973 176.696 0.277 17918 7945 1 13 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.904 0.677 17918 7946 1 13 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.761 0.139 17918 7947 1 13 . 1 1 31 31 ASP H H 34 8.398 8.398 8.228 0.170 17918 7948 1 13 . 1 1 32 32 VAL N N 35 123.637 123.637 121.222 2.415 17918 7949 1 13 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.425 -0.165 17918 7950 1 13 . 1 1 32 32 VAL C C 35 177.725 177.725 174.318 3.407 17918 7951 1 13 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.891 2.601 17918 7952 1 13 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.397 -0.640 17918 7953 1 13 . 1 1 32 32 VAL H H 35 7.323 7.323 7.415 -0.092 17918 7954 1 13 . 1 1 33 33 THR N N 36 121.552 121.552 120.009 1.543 17918 7955 1 13 . 1 1 33 33 THR HA H 36 4.642 4.642 4.761 -0.119 17918 7956 1 13 . 1 1 33 33 THR C C 36 176.268 176.268 175.122 1.146 17918 7957 1 13 . 1 1 33 33 THR CA C 36 62.597 62.597 59.551 3.046 17918 7958 1 13 . 1 1 33 33 THR CB C 36 72.388 72.388 71.217 1.171 17918 7959 1 13 . 1 1 33 33 THR H H 36 9.078 9.078 7.940 1.138 17918 7960 1 13 . 1 1 34 34 TYR N N 37 122.486 122.486 120.794 1.692 17918 7961 1 13 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.677 -0.243 17918 7962 1 13 . 1 1 34 34 TYR C C 37 177.216 177.216 177.139 0.077 17918 7963 1 13 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.030 2.011 17918 7964 1 13 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.615 2.879 17918 7965 1 13 . 1 1 34 34 TYR H H 37 9.247 9.247 8.454 0.793 17918 7966 1 13 . 1 1 35 35 GLU N N 38 116.626 116.626 119.176 -2.550 17918 7967 1 13 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.626 0.053 17918 7968 1 13 . 1 1 35 35 GLU C C 38 180.453 180.453 178.648 1.805 17918 7969 1 13 . 1 1 35 35 GLU CA C 38 61.445 61.445 60.059 1.386 17918 7970 1 13 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.268 1.891 17918 7971 1 13 . 1 1 35 35 GLU H H 38 8.782 8.782 7.947 0.835 17918 7972 1 13 . 1 1 36 36 ASP N N 39 120.670 120.670 119.871 0.799 17918 7973 1 13 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.296 0.076 17918 7974 1 13 . 1 1 36 36 ASP C C 39 180.015 180.015 178.202 1.813 17918 7975 1 13 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.057 1.162 17918 7976 1 13 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.819 0.415 17918 7977 1 13 . 1 1 36 36 ASP H H 39 7.916 7.916 7.437 0.479 17918 7978 1 13 . 1 1 37 37 ALA N N 40 126.126 126.126 122.370 3.756 17918 7979 1 13 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.066 -0.226 17918 7980 1 13 . 1 1 37 37 ALA C C 40 179.923 179.923 179.558 0.365 17918 7981 1 13 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.113 1.232 17918 7982 1 13 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.817 1.036 17918 7983 1 13 . 1 1 37 37 ALA H H 40 8.318 8.318 8.093 0.225 17918 7984 1 13 . 1 1 38 38 ILE N N 41 118.850 118.850 119.138 -0.288 17918 7985 1 13 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.577 -0.109 17918 7986 1 13 . 1 1 38 38 ILE C C 41 179.106 179.106 177.841 1.265 17918 7987 1 13 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.136 -0.757 17918 7988 1 13 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.803 -0.512 17918 7989 1 13 . 1 1 38 38 ILE H H 41 8.151 8.151 8.424 -0.273 17918 7990 1 13 . 1 1 39 39 LYS N N 42 120.585 120.585 119.521 1.064 17918 7991 1 13 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.844 0.140 17918 7992 1 13 . 1 1 39 39 LYS C C 42 180.883 180.883 178.357 2.526 17918 7993 1 13 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.073 0.812 17918 7994 1 13 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.023 1.518 17918 7995 1 13 . 1 1 39 39 LYS H H 42 7.519 7.519 8.149 -0.630 17918 7996 1 13 . 1 1 40 40 GLU N N 43 121.167 121.167 119.639 1.528 17918 7997 1 13 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.023 0.293 17918 7998 1 13 . 1 1 40 40 GLU C C 43 179.969 179.969 178.936 1.033 17918 7999 1 13 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.246 0.760 17918 8000 1 13 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.540 1.201 17918 8001 1 13 . 1 1 40 40 GLU H H 43 7.911 7.911 7.666 0.245 17918 8002 1 13 . 1 1 41 41 LEU N N 44 121.081 121.081 120.544 0.537 17918 8003 1 13 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.163 0.028 17918 8004 1 13 . 1 1 41 41 LEU C C 44 180.778 180.778 179.790 0.988 17918 8005 1 13 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.472 0.461 17918 8006 1 13 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.553 1.332 17918 8007 1 13 . 1 1 41 41 LEU H H 44 8.424 8.424 7.912 0.512 17918 8008 1 13 . 1 1 42 42 GLN N N 45 121.129 121.129 119.505 1.624 17918 8009 1 13 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.172 -0.143 17918 8010 1 13 . 1 1 42 42 GLN C C 45 179.911 179.911 178.796 1.115 17918 8011 1 13 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.331 2.028 17918 8012 1 13 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.390 0.632 17918 8013 1 13 . 1 1 42 42 GLN H H 45 8.971 8.971 8.352 0.619 17918 8014 1 13 . 1 1 43 43 LYS N N 46 121.830 121.830 121.170 0.660 17918 8015 1 13 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.890 0.117 17918 8016 1 13 . 1 1 43 43 LYS C C 46 180.898 180.898 178.790 2.108 17918 8017 1 13 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.495 1.149 17918 8018 1 13 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.031 0.433 17918 8019 1 13 . 1 1 43 43 LYS H H 46 7.769 7.769 7.791 -0.022 17918 8020 1 13 . 1 1 44 44 TRP N N 47 119.737 119.737 120.520 -0.783 17918 8021 1 13 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.265 -0.309 17918 8022 1 13 . 1 1 44 44 TRP C C 47 179.173 179.173 178.548 0.625 17918 8023 1 13 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.790 3.256 17918 8024 1 13 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.585 0.030 17918 8025 1 13 . 1 1 44 44 TRP H H 47 8.002 8.002 8.495 -0.493 17918 8026 1 13 . 1 1 45 45 SER N N 48 114.940 114.940 113.775 1.165 17918 8027 1 13 . 1 1 45 45 SER HA H 48 4.072 4.072 4.039 0.033 17918 8028 1 13 . 1 1 45 45 SER C C 48 178.249 178.249 177.189 1.060 17918 8029 1 13 . 1 1 45 45 SER CA C 48 63.707 63.707 61.675 2.032 17918 8030 1 13 . 1 1 45 45 SER H H 48 8.901 8.901 8.476 0.425 17918 8031 1 13 . 1 1 46 46 GLN N N 49 121.411 121.411 122.648 -1.237 17918 8032 1 13 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.069 0.128 17918 8033 1 13 . 1 1 46 46 GLN C C 49 179.809 179.809 178.061 1.748 17918 8034 1 13 . 1 1 46 46 GLN CA C 49 59.859 59.859 59.076 0.783 17918 8035 1 13 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.712 0.481 17918 8036 1 13 . 1 1 46 46 GLN H H 49 7.950 7.950 7.706 0.244 17918 8037 1 13 . 1 1 47 47 ARG N N 50 121.809 121.809 119.740 2.069 17918 8038 1 13 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.332 -0.281 17918 8039 1 13 . 1 1 47 47 ARG C C 50 179.464 179.464 179.235 0.229 17918 8040 1 13 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.571 1.476 17918 8041 1 13 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.397 1.596 17918 8042 1 13 . 1 1 47 47 ARG H H 50 7.834 7.834 8.090 -0.256 17918 8043 1 13 . 1 1 48 48 ILE N N 51 120.569 120.569 118.747 1.822 17918 8044 1 13 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.185 0.303 17918 8045 1 13 . 1 1 48 48 ILE C C 51 181.848 181.848 178.116 3.732 17918 8046 1 13 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.604 -0.041 17918 8047 1 13 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.936 2.757 17918 8048 1 13 . 1 1 48 48 ILE H H 51 8.127 8.127 8.685 -0.558 17918 8049 1 13 . 1 1 49 49 ALA N N 52 124.538 124.538 120.811 3.727 17918 8050 1 13 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.126 0.083 17918 8051 1 13 . 1 1 49 49 ALA C C 52 181.120 181.120 178.911 2.209 17918 8052 1 13 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.343 2.075 17918 8053 1 13 . 1 1 49 49 ALA CB C 52 19.416 19.416 18.990 0.426 17918 8054 1 13 . 1 1 49 49 ALA H H 52 8.526 8.526 7.520 1.006 17918 8055 1 13 . 1 1 50 50 SER N N 53 111.097 111.097 113.826 -2.729 17918 8056 1 13 . 1 1 50 50 SER HA H 53 4.428 4.428 4.308 0.120 17918 8057 1 13 . 1 1 50 50 SER C C 53 176.608 176.608 176.244 0.364 17918 8058 1 13 . 1 1 50 50 SER CA C 53 60.248 60.248 59.479 0.769 17918 8059 1 13 . 1 1 50 50 SER CB C 53 65.098 65.098 64.372 0.726 17918 8060 1 13 . 1 1 50 50 SER H H 53 8.124 8.124 8.350 -0.226 17918 8061 1 13 . 1 1 51 51 GLY N N 54 110.581 110.581 109.055 1.526 17918 8062 1 13 . 1 1 51 51 GLY C C 54 175.699 175.699 174.958 0.741 17918 8063 1 13 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.829 1.602 17918 8064 1 13 . 1 1 51 51 GLY H H 54 7.904 7.904 8.323 -0.419 17918 8065 1 13 . 1 1 52 52 GLU N N 55 122.231 122.231 120.365 1.866 17918 8066 1 13 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.105 -0.102 17918 8067 1 13 . 1 1 52 52 GLU C C 55 177.647 177.647 176.876 0.771 17918 8068 1 13 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.642 1.446 17918 8069 1 13 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.154 1.468 17918 8070 1 13 . 1 1 52 52 GLU H H 55 8.204 8.204 7.904 0.300 17918 8071 1 13 . 1 1 53 53 VAL N N 56 111.615 111.615 112.397 -0.782 17918 8072 1 13 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.592 -0.013 17918 8073 1 13 . 1 1 53 53 VAL C C 56 175.225 175.225 174.668 0.557 17918 8074 1 13 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.800 -0.116 17918 8075 1 13 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.907 0.625 17918 8076 1 13 . 1 1 53 53 VAL H H 56 7.274 7.274 7.457 -0.183 17918 8077 1 13 . 1 1 54 54 SER N N 57 119.532 119.532 114.385 5.147 17918 8078 1 13 . 1 1 54 54 SER HA H 57 4.692 4.692 4.734 -0.042 17918 8079 1 13 . 1 1 54 54 SER C C 57 176.092 176.092 175.499 0.593 17918 8080 1 13 . 1 1 54 54 SER CA C 57 58.189 58.189 56.877 1.312 17918 8081 1 13 . 1 1 54 54 SER CB C 57 66.447 66.447 65.230 1.218 17918 8082 1 13 . 1 1 54 54 SER H H 57 8.637 8.637 8.217 0.420 17918 8083 1 13 . 1 1 55 55 PHE N N 58 123.609 123.609 123.085 0.524 17918 8084 1 13 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.162 -0.508 17918 8085 1 13 . 1 1 55 55 PHE C C 58 177.469 177.469 176.822 0.647 17918 8086 1 13 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.355 2.502 17918 8087 1 13 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.678 2.288 17918 8088 1 13 . 1 1 55 55 PHE H H 58 9.326 9.326 9.059 0.267 17918 8089 1 13 . 1 1 56 56 GLU N N 59 116.994 116.994 119.060 -2.066 17918 8090 1 13 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.473 -0.268 17918 8091 1 13 . 1 1 56 56 GLU C C 59 180.852 180.852 179.542 1.310 17918 8092 1 13 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.082 1.285 17918 8093 1 13 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.978 0.852 17918 8094 1 13 . 1 1 56 56 GLU H H 59 9.464 9.464 8.843 0.621 17918 8095 1 13 . 1 1 57 57 GLU N N 60 122.452 122.452 118.598 3.854 17918 8096 1 13 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.052 -0.029 17918 8097 1 13 . 1 1 57 57 GLU C C 60 179.899 179.899 178.606 1.293 17918 8098 1 13 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.807 1.206 17918 8099 1 13 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.236 1.949 17918 8100 1 13 . 1 1 57 57 GLU H H 60 7.978 7.978 7.586 0.392 17918 8101 1 13 . 1 1 58 58 ALA N N 61 123.053 123.053 122.132 0.921 17918 8102 1 13 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.064 0.517 17918 8103 1 13 . 1 1 58 58 ALA C C 61 179.854 179.854 178.855 0.999 17918 8104 1 13 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.462 1.419 17918 8105 1 13 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.640 2.420 17918 8106 1 13 . 1 1 58 58 ALA H H 61 8.157 8.157 7.222 0.935 17918 8107 1 13 . 1 1 59 59 ALA N N 62 120.029 120.029 120.744 -0.715 17918 8108 1 13 . 1 1 59 59 ALA HA H 62 3.552 3.552 4.001 -0.449 17918 8109 1 13 . 1 1 59 59 ALA C C 62 181.080 181.080 179.971 1.109 17918 8110 1 13 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.146 1.272 17918 8111 1 13 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.273 -0.231 17918 8112 1 13 . 1 1 59 59 ALA H H 62 8.540 8.540 8.593 -0.053 17918 8113 1 13 . 1 1 60 60 SER N N 63 113.010 113.010 112.342 0.668 17918 8114 1 13 . 1 1 60 60 SER HA H 63 4.766 4.766 4.377 0.389 17918 8115 1 13 . 1 1 60 60 SER C C 63 176.299 176.299 175.825 0.474 17918 8116 1 13 . 1 1 60 60 SER CA C 63 62.414 62.414 60.815 1.599 17918 8117 1 13 . 1 1 60 60 SER CB C 63 64.687 64.687 63.326 1.361 17918 8118 1 13 . 1 1 60 60 SER H H 63 8.013 8.013 7.859 0.154 17918 8119 1 13 . 1 1 61 61 GLN N N 64 115.830 115.830 116.898 -1.068 17918 8120 1 13 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.362 -0.232 17918 8121 1 13 . 1 1 61 61 GLN C C 64 178.579 178.579 177.531 1.048 17918 8122 1 13 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.817 0.549 17918 8123 1 13 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.425 1.951 17918 8124 1 13 . 1 1 61 61 GLN H H 64 7.496 7.496 7.472 0.024 17918 8125 1 13 . 1 1 62 62 ARG N N 65 115.716 115.716 116.949 -1.233 17918 8126 1 13 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.462 -0.001 17918 8127 1 13 . 1 1 62 62 ARG C C 65 176.601 176.601 176.708 -0.107 17918 8128 1 13 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.151 -2.520 17918 8129 1 13 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.885 1.771 17918 8130 1 13 . 1 1 62 62 ARG H H 65 7.693 7.693 8.437 -0.744 17918 8131 1 13 . 1 1 63 63 SER N N 66 114.680 114.680 115.857 -1.177 17918 8132 1 13 . 1 1 63 63 SER HA H 66 4.222 4.222 4.594 -0.372 17918 8133 1 13 . 1 1 63 63 SER C C 66 177.034 177.034 175.297 1.737 17918 8134 1 13 . 1 1 63 63 SER CA C 66 59.677 59.677 58.642 1.035 17918 8135 1 13 . 1 1 63 63 SER CB C 66 65.786 65.786 63.362 2.424 17918 8136 1 13 . 1 1 63 63 SER H H 66 8.528 8.528 7.814 0.714 17918 8137 1 13 . 1 1 64 64 ASP N N 67 123.612 123.612 123.657 -0.045 17918 8138 1 13 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.520 0.379 17918 8139 1 13 . 1 1 64 64 ASP C C 67 176.674 176.674 176.286 0.388 17918 8140 1 13 . 1 1 64 64 ASP CA C 67 55.991 55.991 55.401 0.590 17918 8141 1 13 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.786 2.871 17918 8142 1 13 . 1 1 64 64 ASP H H 67 9.645 9.645 8.946 0.699 17918 8143 1 13 . 1 1 65 65 CYS N N 68 124.716 124.716 116.906 7.810 17918 8144 1 13 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.704 -0.259 17918 8145 1 13 . 1 1 65 65 CYS C C 68 177.747 177.747 176.681 1.066 17918 8146 1 13 . 1 1 65 65 CYS CA C 68 60.118 60.118 57.182 2.936 17918 8147 1 13 . 1 1 65 65 CYS CB C 68 30.459 30.459 30.599 -0.140 17918 8148 1 13 . 1 1 65 65 CYS H H 68 7.903 7.903 7.572 0.331 17918 8149 1 13 . 1 1 66 66 GLY N N 69 118.503 118.503 111.804 6.699 17918 8150 1 13 . 1 1 66 66 GLY C C 69 175.872 175.872 175.692 0.180 17918 8151 1 13 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.352 1.590 17918 8152 1 13 . 1 1 66 66 GLY H H 69 8.811 8.811 8.993 -0.182 17918 8153 1 13 . 1 1 67 67 SER N N 70 120.316 120.316 118.004 2.312 17918 8154 1 13 . 1 1 67 67 SER HA H 70 4.245 4.245 4.087 0.158 17918 8155 1 13 . 1 1 67 67 SER C C 70 178.404 178.404 176.057 2.347 17918 8156 1 13 . 1 1 67 67 SER CA C 70 61.611 61.611 60.466 1.145 17918 8157 1 13 . 1 1 67 67 SER CB C 70 64.297 64.297 62.463 1.834 17918 8158 1 13 . 1 1 67 67 SER H H 70 9.556 9.556 7.897 1.659 17918 8159 1 13 . 1 1 68 68 TYR N N 71 129.376 129.376 121.621 7.755 17918 8160 1 13 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.273 -0.242 17918 8161 1 13 . 1 1 68 68 TYR C C 71 177.613 177.613 176.774 0.839 17918 8162 1 13 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.505 2.887 17918 8163 1 13 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.482 0.315 17918 8164 1 13 . 1 1 68 68 TYR H H 71 8.584 8.584 8.341 0.243 17918 8165 1 13 . 1 1 69 69 ALA N N 72 122.673 122.673 121.367 1.306 17918 8166 1 13 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.696 -0.051 17918 8167 1 13 . 1 1 69 69 ALA C C 72 179.011 179.011 178.635 0.376 17918 8168 1 13 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.926 0.364 17918 8169 1 13 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.027 1.094 17918 8170 1 13 . 1 1 69 69 ALA H H 72 5.645 5.645 7.265 -1.620 17918 8171 1 13 . 1 1 70 70 SER N N 73 114.496 114.496 112.249 2.247 17918 8172 1 13 . 1 1 70 70 SER HA H 73 4.782 4.782 4.472 0.310 17918 8173 1 13 . 1 1 70 70 SER C C 73 177.320 177.320 175.149 2.171 17918 8174 1 13 . 1 1 70 70 SER CA C 73 57.287 57.287 58.329 -1.042 17918 8175 1 13 . 1 1 70 70 SER CB C 73 64.538 64.538 64.090 0.448 17918 8176 1 13 . 1 1 70 70 SER H H 73 7.654 7.654 7.656 -0.002 17918 8177 1 13 . 1 1 71 71 GLY N N 74 112.182 112.182 109.643 2.539 17918 8178 1 13 . 1 1 71 71 GLY C C 74 174.379 174.379 173.900 0.479 17918 8179 1 13 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.994 3.440 17918 8180 1 13 . 1 1 71 71 GLY H H 74 7.933 7.933 7.777 0.156 17918 8181 1 13 . 1 1 72 72 GLY N N 75 126.463 126.463 108.065 18.398 17918 8182 1 13 . 1 1 72 72 GLY C C 75 175.121 175.121 172.130 2.991 17918 8183 1 13 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.166 0.906 17918 8184 1 13 . 1 1 72 72 GLY H H 75 7.994 7.994 8.471 -0.477 17918 8185 1 13 . 1 1 73 73 ASP N N 76 118.815 118.815 120.785 -1.970 17918 8186 1 13 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.432 -0.018 17918 8187 1 13 . 1 1 73 73 ASP C C 76 177.362 177.362 174.609 2.753 17918 8188 1 13 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.523 2.600 17918 8189 1 13 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.958 -0.507 17918 8190 1 13 . 1 1 73 73 ASP H H 76 6.956 6.956 7.531 -0.575 17918 8191 1 13 . 1 1 74 74 LEU N N 77 128.720 128.720 122.664 6.056 17918 8192 1 13 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.554 -0.199 17918 8193 1 13 . 1 1 74 74 LEU C C 77 179.412 179.412 177.571 1.841 17918 8194 1 13 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.519 2.615 17918 8195 1 13 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.136 1.706 17918 8196 1 13 . 1 1 74 74 LEU H H 77 8.694 8.694 8.064 0.630 17918 8197 1 13 . 1 1 75 75 GLY N N 78 109.695 109.695 108.017 1.678 17918 8198 1 13 . 1 1 75 75 GLY C C 78 173.473 173.473 174.867 -1.394 17918 8199 1 13 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.290 0.056 17918 8200 1 13 . 1 1 75 75 GLY H H 78 8.682 8.682 7.629 1.053 17918 8201 1 13 . 1 1 76 76 PHE N N 79 115.646 115.646 116.472 -0.826 17918 8202 1 13 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.436 0.783 17918 8203 1 13 . 1 1 76 76 PHE C C 79 178.904 178.904 174.989 3.915 17918 8204 1 13 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.544 -0.088 17918 8205 1 13 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.978 3.839 17918 8206 1 13 . 1 1 76 76 PHE H H 79 8.203 8.203 7.688 0.515 17918 8207 1 13 . 1 1 77 77 PHE N N 80 119.508 119.508 117.981 1.527 17918 8208 1 13 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.079 0.058 17918 8209 1 13 . 1 1 77 77 PHE C C 80 174.331 174.331 174.139 0.192 17918 8210 1 13 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.629 1.267 17918 8211 1 13 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.429 1.034 17918 8212 1 13 . 1 1 77 77 PHE H H 80 9.112 9.112 9.131 -0.019 17918 8213 1 13 . 1 1 78 78 SER N N 81 116.578 116.578 115.770 0.808 17918 8214 1 13 . 1 1 78 78 SER HA H 81 4.957 4.957 4.771 0.186 17918 8215 1 13 . 1 1 78 78 SER C C 81 176.191 176.191 174.888 1.303 17918 8216 1 13 . 1 1 78 78 SER CA C 81 58.065 58.065 56.767 1.298 17918 8217 1 13 . 1 1 78 78 SER CB C 81 66.514 66.514 64.052 2.462 17918 8218 1 13 . 1 1 78 78 SER H H 81 8.930 8.930 9.158 -0.228 17918 8219 1 13 . 1 1 79 79 SER N N 82 118.715 118.715 117.856 0.859 17918 8220 1 13 . 1 1 79 79 SER HA H 82 4.420 4.420 4.222 0.198 17918 8221 1 13 . 1 1 79 79 SER C C 82 176.946 176.946 175.823 1.123 17918 8222 1 13 . 1 1 79 79 SER CA C 82 60.988 60.988 60.591 0.397 17918 8223 1 13 . 1 1 79 79 SER CB C 82 64.242 64.242 63.064 1.178 17918 8224 1 13 . 1 1 79 79 SER H H 82 8.751 8.751 8.585 0.166 17918 8225 1 13 . 1 1 80 80 GLY N N 83 117.069 117.069 108.499 8.570 17918 8226 1 13 . 1 1 80 80 GLY C C 83 175.628 175.628 173.892 1.736 17918 8227 1 13 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.936 1.696 17918 8228 1 13 . 1 1 80 80 GLY H H 83 10.009 10.009 8.129 1.880 17918 8229 1 13 . 1 1 81 81 GLU N N 84 120.322 120.322 121.108 -0.786 17918 8230 1 13 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.481 -0.250 17918 8231 1 13 . 1 1 81 81 GLU C C 84 178.456 178.456 176.232 2.224 17918 8232 1 13 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.611 3.116 17918 8233 1 13 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.471 2.250 17918 8234 1 13 . 1 1 81 81 GLU H H 84 7.812 7.812 8.398 -0.586 17918 8235 1 13 . 1 1 82 82 MET N N 85 117.156 117.156 117.960 -0.804 17918 8236 1 13 . 1 1 82 82 MET HA H 85 4.569 4.569 4.528 0.041 17918 8237 1 13 . 1 1 82 82 MET C C 85 176.991 176.991 175.659 1.332 17918 8238 1 13 . 1 1 82 82 MET CA C 85 53.174 53.174 53.702 -0.528 17918 8239 1 13 . 1 1 82 82 MET CB C 85 34.386 34.386 33.492 0.894 17918 8240 1 13 . 1 1 82 82 MET H H 85 8.601 8.601 8.175 0.426 17918 8241 1 13 . 1 1 83 83 MET N N 86 119.413 119.413 119.370 0.043 17918 8242 1 13 . 1 1 83 83 MET HA H 86 4.273 4.273 4.577 -0.304 17918 8243 1 13 . 1 1 83 83 MET C C 86 178.979 178.979 177.802 1.177 17918 8244 1 13 . 1 1 83 83 MET CA C 86 58.320 58.320 54.477 3.843 17918 8245 1 13 . 1 1 83 83 MET CB C 86 34.339 34.339 33.486 0.853 17918 8246 1 13 . 1 1 83 83 MET H H 86 8.413 8.413 8.016 0.397 17918 8247 1 13 . 1 1 84 84 LYS N N 87 126.834 126.834 124.059 2.775 17918 8248 1 13 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.381 0.359 17918 8249 1 13 . 1 1 84 84 LYS C C 87 175.267 175.267 177.029 -1.762 17918 8250 1 13 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.387 1.074 17918 8251 1 13 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.134 1.301 17918 8252 1 13 . 1 1 84 84 LYS H H 87 9.099 9.099 8.913 0.186 17918 8253 1 13 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.390 0.075 17918 8254 1 13 . 1 1 85 85 PRO C C 88 180.671 180.671 178.364 2.307 17918 8255 1 13 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.147 1.597 17918 8256 1 13 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.446 0.810 17918 8257 1 13 . 1 1 86 86 PHE N N 89 116.583 116.583 121.025 -4.442 17918 8258 1 13 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.120 -0.473 17918 8259 1 13 . 1 1 86 86 PHE C C 89 177.086 177.086 176.665 0.421 17918 8260 1 13 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.606 -0.122 17918 8261 1 13 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.233 2.277 17918 8262 1 13 . 1 1 86 86 PHE H H 89 7.102 7.102 7.639 -0.537 17918 8263 1 13 . 1 1 87 87 GLU N N 90 120.506 120.506 118.274 2.232 17918 8264 1 13 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.994 -0.270 17918 8265 1 13 . 1 1 87 87 GLU C C 90 179.102 179.102 178.967 0.135 17918 8266 1 13 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.678 2.179 17918 8267 1 13 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.220 1.565 17918 8268 1 13 . 1 1 87 87 GLU H H 90 8.126 8.126 8.822 -0.696 17918 8269 1 13 . 1 1 88 88 ASP N N 91 118.355 118.355 119.498 -1.143 17918 8270 1 13 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.391 -0.156 17918 8271 1 13 . 1 1 88 88 ASP C C 91 180.067 180.067 177.944 2.123 17918 8272 1 13 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.316 0.987 17918 8273 1 13 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.966 0.060 17918 8274 1 13 . 1 1 88 88 ASP H H 91 9.121 9.121 7.979 1.142 17918 8275 1 13 . 1 1 89 89 ALA N N 92 121.718 121.718 121.695 0.023 17918 8276 1 13 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.137 -0.065 17918 8277 1 13 . 1 1 89 89 ALA C C 92 181.131 181.131 179.655 1.476 17918 8278 1 13 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.735 1.110 17918 8279 1 13 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.406 1.693 17918 8280 1 13 . 1 1 89 89 ALA H H 92 7.154 7.154 7.290 -0.136 17918 8281 1 13 . 1 1 90 90 VAL N N 93 117.315 117.315 118.107 -0.792 17918 8282 1 13 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.628 -0.213 17918 8283 1 13 . 1 1 90 90 VAL C C 93 178.908 178.908 177.093 1.815 17918 8284 1 13 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.703 1.051 17918 8285 1 13 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.559 0.789 17918 8286 1 13 . 1 1 90 90 VAL H H 93 7.797 7.797 7.480 0.317 17918 8287 1 13 . 1 1 91 91 ARG N N 94 116.826 116.826 117.374 -0.548 17918 8288 1 13 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.101 -0.247 17918 8289 1 13 . 1 1 91 91 ARG C C 94 177.858 177.858 177.705 0.153 17918 8290 1 13 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.264 2.202 17918 8291 1 13 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.881 1.207 17918 8292 1 13 . 1 1 91 91 ARG H H 94 8.154 8.154 7.824 0.330 17918 8293 1 13 . 1 1 92 92 ALA N N 95 118.849 118.849 122.872 -4.023 17918 8294 1 13 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.188 0.105 17918 8295 1 13 . 1 1 92 92 ALA C C 95 178.452 178.452 177.987 0.465 17918 8296 1 13 . 1 1 92 92 ALA CA C 95 53.477 53.477 54.059 -0.582 17918 8297 1 13 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.018 1.129 17918 8298 1 13 . 1 1 92 92 ALA H H 95 7.067 7.067 7.452 -0.385 17918 8299 1 13 . 1 1 93 93 LEU N N 96 120.871 120.871 114.116 6.755 17918 8300 1 13 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.826 -0.312 17918 8301 1 13 . 1 1 93 93 LEU C C 96 179.045 179.045 175.312 3.733 17918 8302 1 13 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.831 1.332 17918 8303 1 13 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.152 1.780 17918 8304 1 13 . 1 1 93 93 LEU H H 96 7.396 7.396 7.631 -0.235 17918 8305 1 13 . 1 1 94 94 LYS N N 97 121.289 121.289 118.576 2.713 17918 8306 1 13 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.441 -0.033 17918 8307 1 13 . 1 1 94 94 LYS C C 97 178.629 178.629 176.207 2.422 17918 8308 1 13 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.199 2.095 17918 8309 1 13 . 1 1 94 94 LYS CB C 97 33.395 33.395 35.484 -2.089 17918 8310 1 13 . 1 1 94 94 LYS H H 97 8.274 8.274 8.195 0.079 17918 8311 1 13 . 1 1 95 95 ILE N N 98 122.343 122.343 120.614 1.729 17918 8312 1 13 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.735 -0.670 17918 8313 1 13 . 1 1 95 95 ILE C C 98 178.406 178.406 176.992 1.414 17918 8314 1 13 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.523 2.771 17918 8315 1 13 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.765 1.397 17918 8316 1 13 . 1 1 95 95 ILE H H 98 8.396 8.396 8.441 -0.045 17918 8317 1 13 . 1 1 96 96 GLY N N 99 118.074 118.074 116.373 1.701 17918 8318 1 13 . 1 1 96 96 GLY C C 99 174.605 174.605 174.137 0.468 17918 8319 1 13 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.540 1.633 17918 8320 1 13 . 1 1 96 96 GLY H H 99 8.988 8.988 8.682 0.306 17918 8321 1 13 . 1 1 97 97 ASP N N 100 121.984 121.984 122.380 -0.396 17918 8322 1 13 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.814 -0.019 17918 8323 1 13 . 1 1 97 97 ASP C C 100 175.344 175.344 175.079 0.265 17918 8324 1 13 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.536 0.501 17918 8325 1 13 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.677 1.276 17918 8326 1 13 . 1 1 97 97 ASP H H 100 7.978 7.978 8.308 -0.330 17918 8327 1 13 . 1 1 98 98 ILE N N 101 117.483 117.483 120.503 -3.020 17918 8328 1 13 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.810 0.350 17918 8329 1 13 . 1 1 98 98 ILE C C 101 178.147 178.147 176.236 1.911 17918 8330 1 13 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.099 0.237 17918 8331 1 13 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.057 0.236 17918 8332 1 13 . 1 1 98 98 ILE H H 101 8.048 8.048 8.288 -0.240 17918 8333 1 13 . 1 1 99 99 SER N N 102 126.778 126.778 124.200 2.578 17918 8334 1 13 . 1 1 99 99 SER HA H 102 4.526 4.526 4.859 -0.333 17918 8335 1 13 . 1 1 99 99 SER C C 102 172.735 172.735 173.234 -0.499 17918 8336 1 13 . 1 1 99 99 SER CA C 102 59.441 59.441 56.611 2.829 17918 8337 1 13 . 1 1 99 99 SER CB C 102 64.572 64.572 63.401 1.171 17918 8338 1 13 . 1 1 99 99 SER H H 102 9.722 9.722 9.036 0.686 17918 8339 1 13 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.479 0.340 17918 8340 1 13 . 1 1 100 100 PRO C C 103 176.647 176.647 176.885 -0.238 17918 8341 1 13 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.620 0.507 17918 8342 1 13 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.487 0.952 17918 8343 1 13 . 1 1 101 101 ILE N N 104 120.048 120.048 119.237 0.811 17918 8344 1 13 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.075 0.232 17918 8345 1 13 . 1 1 101 101 ILE C C 104 178.021 178.021 176.496 1.525 17918 8346 1 13 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.034 3.107 17918 8347 1 13 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.765 1.205 17918 8348 1 13 . 1 1 101 101 ILE H H 104 8.199 8.199 8.250 -0.051 17918 8349 1 13 . 1 1 102 102 VAL N N 105 130.676 130.676 129.339 1.337 17918 8350 1 13 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.371 -0.014 17918 8351 1 13 . 1 1 102 102 VAL C C 105 175.118 175.118 174.737 0.381 17918 8352 1 13 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.148 0.659 17918 8353 1 13 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.352 4.030 17918 8354 1 13 . 1 1 102 102 VAL H H 105 9.285 9.285 8.934 0.351 17918 8355 1 13 . 1 1 103 103 GLN N N 106 128.464 128.464 127.700 0.764 17918 8356 1 13 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.677 0.772 17918 8357 1 13 . 1 1 103 103 GLN C C 106 176.704 176.704 175.831 0.873 17918 8358 1 13 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.880 -0.820 17918 8359 1 13 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.138 1.894 17918 8360 1 13 . 1 1 103 103 GLN H H 106 8.900 8.900 8.891 0.009 17918 8361 1 13 . 1 1 104 104 THR N N 107 116.680 116.680 119.907 -3.227 17918 8362 1 13 . 1 1 104 104 THR HA H 107 4.978 4.978 4.847 0.131 17918 8363 1 13 . 1 1 104 104 THR C C 107 177.189 177.189 174.754 2.435 17918 8364 1 13 . 1 1 104 104 THR CA C 107 61.836 61.836 59.924 1.912 17918 8365 1 13 . 1 1 104 104 THR CB C 107 73.663 73.663 70.700 2.963 17918 8366 1 13 . 1 1 104 104 THR H H 107 9.275 9.275 9.004 0.271 17918 8367 1 13 . 1 1 105 105 ASP N N 108 119.651 119.651 120.237 -0.586 17918 8368 1 13 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.469 0.109 17918 8369 1 13 . 1 1 105 105 ASP C C 108 179.034 179.034 177.134 1.900 17918 8370 1 13 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.822 1.133 17918 8371 1 13 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.601 1.415 17918 8372 1 13 . 1 1 105 105 ASP H H 108 8.945 8.945 8.987 -0.042 17918 8373 1 13 . 1 1 106 106 SER N N 109 114.257 114.257 114.426 -0.169 17918 8374 1 13 . 1 1 106 106 SER HA H 109 4.642 4.642 4.467 0.175 17918 8375 1 13 . 1 1 106 106 SER C C 109 177.224 177.224 173.944 3.280 17918 8376 1 13 . 1 1 106 106 SER CA C 109 62.788 62.788 58.461 4.327 17918 8377 1 13 . 1 1 106 106 SER CB C 109 64.767 64.767 63.910 0.857 17918 8378 1 13 . 1 1 106 106 SER H H 109 8.968 8.968 8.534 0.434 17918 8379 1 13 . 1 1 107 107 GLY N N 110 111.288 111.288 108.056 3.232 17918 8380 1 13 . 1 1 107 107 GLY C C 110 169.468 169.468 172.176 -2.708 17918 8381 1 13 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.283 1.415 17918 8382 1 13 . 1 1 107 107 GLY H H 110 7.829 7.829 7.709 0.120 17918 8383 1 13 . 1 1 108 108 LEU N N 111 122.506 122.506 122.268 0.238 17918 8384 1 13 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.134 0.237 17918 8385 1 13 . 1 1 108 108 LEU C C 111 175.948 175.948 175.398 0.550 17918 8386 1 13 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.181 0.095 17918 8387 1 13 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.683 0.092 17918 8388 1 13 . 1 1 108 108 LEU H H 111 8.143 8.143 8.524 -0.381 17918 8389 1 13 . 1 1 109 109 HIS N N 112 119.518 119.518 122.449 -2.931 17918 8390 1 13 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.806 0.289 17918 8391 1 13 . 1 1 109 109 HIS C C 112 179.186 179.186 174.681 4.505 17918 8392 1 13 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.862 0.518 17918 8393 1 13 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.634 0.204 17918 8394 1 13 . 1 1 109 109 HIS H H 112 9.764 9.764 9.240 0.524 17918 8395 1 13 . 1 1 110 110 ILE N N 113 113.128 113.128 119.480 -6.352 17918 8396 1 13 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.900 -0.441 17918 8397 1 13 . 1 1 110 110 ILE C C 113 176.666 176.666 174.067 2.599 17918 8398 1 13 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.890 4.547 17918 8399 1 13 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.782 1.954 17918 8400 1 13 . 1 1 110 110 ILE H H 113 8.117 8.117 8.426 -0.309 17918 8401 1 13 . 1 1 111 111 ILE N N 114 125.121 125.121 122.189 2.932 17918 8402 1 13 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.169 -0.399 17918 8403 1 13 . 1 1 111 111 ILE C C 114 173.792 173.792 174.215 -0.423 17918 8404 1 13 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.689 2.295 17918 8405 1 13 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.094 1.589 17918 8406 1 13 . 1 1 111 111 ILE H H 114 8.604 8.604 8.938 -0.334 17918 8407 1 13 . 1 1 112 112 LYS N N 115 127.966 127.966 122.996 4.970 17918 8408 1 13 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.597 -0.424 17918 8409 1 13 . 1 1 112 112 LYS C C 115 177.267 177.267 175.204 2.063 17918 8410 1 13 . 1 1 112 112 LYS CA C 115 54.375 54.375 53.995 0.380 17918 8411 1 13 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.652 -0.139 17918 8412 1 13 . 1 1 112 112 LYS H H 115 9.075 9.075 9.041 0.034 17918 8413 1 13 . 1 1 113 113 ARG N N 116 126.762 126.762 124.363 2.399 17918 8414 1 13 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.323 0.012 17918 8415 1 13 . 1 1 113 113 ARG C C 116 176.109 176.109 176.003 0.106 17918 8416 1 13 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.301 1.522 17918 8417 1 13 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.203 0.654 17918 8418 1 13 . 1 1 113 113 ARG H H 116 7.830 7.830 8.572 -0.742 17918 8419 1 13 . 1 1 114 114 LEU N N 117 128.545 128.545 126.196 2.349 17918 8420 1 13 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.578 0.045 17918 8421 1 13 . 1 1 114 114 LEU C C 117 176.857 176.857 175.793 1.064 17918 8422 1 13 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.320 1.672 17918 8423 1 13 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.693 1.446 17918 8424 1 13 . 1 1 114 114 LEU H H 117 8.534 8.534 9.133 -0.599 17918 8425 1 14 . 1 1 2 2 SER N N 5 117.478 117.478 116.493 0.985 17918 8426 1 14 . 1 1 2 2 SER HA H 5 4.393 4.393 4.336 0.057 17918 8427 1 14 . 1 1 2 2 SER C C 5 175.466 175.466 175.538 -0.072 17918 8428 1 14 . 1 1 2 2 SER CA C 5 59.622 59.622 59.813 -0.191 17918 8429 1 14 . 1 1 2 2 SER CB C 5 64.896 64.896 63.353 1.543 17918 8430 1 14 . 1 1 2 2 SER H H 5 8.317 8.317 8.412 -0.095 17918 8431 1 14 . 1 1 3 3 GLU N N 6 123.783 123.783 117.165 6.618 17918 8432 1 14 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.503 -0.225 17918 8433 1 14 . 1 1 3 3 GLU C C 6 177.189 177.189 175.749 1.440 17918 8434 1 14 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.775 2.016 17918 8435 1 14 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.768 0.800 17918 8436 1 14 . 1 1 3 3 GLU H H 6 8.359 8.359 8.138 0.221 17918 8437 1 14 . 1 1 4 4 LYS N N 7 122.875 122.875 122.116 0.759 17918 8438 1 14 . 1 1 4 4 LYS HA H 7 4.514 4.514 5.110 -0.596 17918 8439 1 14 . 1 1 4 4 LYS C C 7 176.557 176.557 176.234 0.323 17918 8440 1 14 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.573 0.253 17918 8441 1 14 . 1 1 4 4 LYS CB C 7 35.393 35.393 33.508 1.885 17918 8442 1 14 . 1 1 4 4 LYS H H 7 8.193 8.193 7.860 0.333 17918 8443 1 14 . 1 1 5 5 LEU N N 8 123.258 123.258 123.367 -0.109 17918 8444 1 14 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.744 -0.350 17918 8445 1 14 . 1 1 5 5 LEU C C 8 175.699 175.699 173.695 2.004 17918 8446 1 14 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.401 1.141 17918 8447 1 14 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.433 0.079 17918 8448 1 14 . 1 1 5 5 LEU H H 8 8.265 8.265 9.124 -0.859 17918 8449 1 14 . 1 1 6 6 ARG N N 9 117.197 117.197 121.371 -4.174 17918 8450 1 14 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.389 1.215 17918 8451 1 14 . 1 1 6 6 ARG C C 9 175.633 175.633 173.612 2.021 17918 8452 1 14 . 1 1 6 6 ARG CA C 9 57.175 57.175 54.683 2.492 17918 8453 1 14 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.555 2.865 17918 8454 1 14 . 1 1 6 6 ARG H H 9 7.759 7.759 8.140 -0.381 17918 8455 1 14 . 1 1 7 7 ALA N N 10 126.954 126.954 127.265 -0.311 17918 8456 1 14 . 1 1 7 7 ALA HA H 10 5.140 5.140 4.967 0.173 17918 8457 1 14 . 1 1 7 7 ALA C C 10 174.004 174.004 174.873 -0.869 17918 8458 1 14 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.500 0.367 17918 8459 1 14 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.988 2.019 17918 8460 1 14 . 1 1 7 7 ALA H H 10 7.637 7.637 8.426 -0.789 17918 8461 1 14 . 1 1 8 8 ALA N N 11 122.081 122.081 124.064 -1.983 17918 8462 1 14 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.527 1.263 17918 8463 1 14 . 1 1 8 8 ALA C C 11 177.446 177.446 175.334 2.112 17918 8464 1 14 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.270 0.006 17918 8465 1 14 . 1 1 8 8 ALA CB C 11 23.621 23.621 21.014 2.607 17918 8466 1 14 . 1 1 8 8 ALA H H 11 8.991 8.991 8.456 0.535 17918 8467 1 14 . 1 1 9 9 HIS N N 12 118.002 118.002 119.013 -1.011 17918 8468 1 14 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.462 0.667 17918 8469 1 14 . 1 1 9 9 HIS C C 12 172.689 172.689 172.756 -0.067 17918 8470 1 14 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.641 1.455 17918 8471 1 14 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.084 5.649 17918 8472 1 14 . 1 1 9 9 HIS H H 12 9.489 9.489 7.830 1.659 17918 8473 1 14 . 1 1 10 10 LEU N N 13 126.276 126.276 120.539 5.737 17918 8474 1 14 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.971 -1.065 17918 8475 1 14 . 1 1 10 10 LEU C C 13 174.163 174.163 174.819 -0.656 17918 8476 1 14 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.631 3.072 17918 8477 1 14 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.331 -0.764 17918 8478 1 14 . 1 1 10 10 LEU H H 13 8.866 8.866 9.226 -0.360 17918 8479 1 14 . 1 1 11 11 LEU N N 14 127.134 127.134 126.900 0.234 17918 8480 1 14 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.403 -0.665 17918 8481 1 14 . 1 1 11 11 LEU C C 14 175.626 175.626 174.614 1.012 17918 8482 1 14 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.358 0.245 17918 8483 1 14 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.772 0.923 17918 8484 1 14 . 1 1 11 11 LEU H H 14 7.762 7.762 8.557 -0.795 17918 8485 1 14 . 1 1 12 12 VAL N N 15 129.450 129.450 128.564 0.886 17918 8486 1 14 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.416 -0.006 17918 8487 1 14 . 1 1 12 12 VAL C C 15 177.055 177.055 174.694 2.361 17918 8488 1 14 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.258 1.583 17918 8489 1 14 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.733 -0.345 17918 8490 1 14 . 1 1 12 12 VAL H H 15 9.667 9.667 8.941 0.726 17918 8491 1 14 . 1 1 13 13 LYS N N 16 127.188 127.188 127.761 -0.573 17918 8492 1 14 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.585 -0.103 17918 8493 1 14 . 1 1 13 13 LYS C C 16 176.034 176.034 175.169 0.865 17918 8494 1 14 . 1 1 13 13 LYS CA C 16 58.166 58.166 54.805 3.361 17918 8495 1 14 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.490 4.304 17918 8496 1 14 . 1 1 13 13 LYS H H 16 9.138 9.138 8.664 0.474 17918 8497 1 14 . 1 1 14 14 PHE N N 17 117.138 117.138 119.029 -1.891 17918 8498 1 14 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.996 0.258 17918 8499 1 14 . 1 1 14 14 PHE C C 17 176.588 176.588 176.842 -0.254 17918 8500 1 14 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.139 2.449 17918 8501 1 14 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.258 0.101 17918 8502 1 14 . 1 1 14 14 PHE H H 17 8.617 8.617 7.960 0.657 17918 8503 1 14 . 1 1 15 15 SER N N 18 120.047 120.047 116.879 3.168 17918 8504 1 14 . 1 1 15 15 SER HA H 18 4.019 4.019 4.211 -0.192 17918 8505 1 14 . 1 1 15 15 SER C C 18 180.099 180.099 176.189 3.910 17918 8506 1 14 . 1 1 15 15 SER CA C 18 62.865 62.865 61.653 1.212 17918 8507 1 14 . 1 1 15 15 SER CB C 18 64.300 64.300 63.067 1.233 17918 8508 1 14 . 1 1 15 15 SER H H 18 9.437 9.437 9.167 0.270 17918 8509 1 14 . 1 1 16 16 GLY C C 19 175.458 175.458 174.292 1.166 17918 8510 1 14 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.363 1.419 17918 8511 1 14 . 1 1 17 17 SER N N 20 120.550 120.550 114.590 5.960 17918 8512 1 14 . 1 1 17 17 SER HA H 20 3.839 3.839 3.812 0.027 17918 8513 1 14 . 1 1 17 17 SER C C 20 174.702 174.702 174.641 0.061 17918 8514 1 14 . 1 1 17 17 SER CA C 20 62.099 62.099 57.784 4.315 17918 8515 1 14 . 1 1 17 17 SER CB C 20 65.081 65.081 64.396 0.685 17918 8516 1 14 . 1 1 17 17 SER H H 20 7.236 7.236 7.015 0.221 17918 8517 1 14 . 1 1 18 18 ARG N N 21 123.998 123.998 119.279 4.719 17918 8518 1 14 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.010 0.053 17918 8519 1 14 . 1 1 18 18 ARG C C 21 177.005 177.005 176.562 0.443 17918 8520 1 14 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.457 1.138 17918 8521 1 14 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.601 -0.495 17918 8522 1 14 . 1 1 18 18 ARG H H 21 8.544 8.544 8.016 0.528 17918 8523 1 14 . 1 1 19 19 ASN N N 22 116.403 116.403 115.171 1.232 17918 8524 1 14 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.065 0.199 17918 8525 1 14 . 1 1 19 19 ASN CA C 22 50.820 50.820 51.101 -0.281 17918 8526 1 14 . 1 1 19 19 ASN CB C 22 40.496 40.496 40.078 0.418 17918 8527 1 14 . 1 1 19 19 ASN H H 22 8.412 8.412 7.698 0.714 17918 8528 1 14 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.579 -0.241 17918 8529 1 14 . 1 1 20 20 PRO C C 23 176.381 176.381 175.277 1.104 17918 8530 1 14 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.647 1.917 17918 8531 1 14 . 1 1 20 20 PRO CB C 23 29.310 29.310 29.873 -0.564 17918 8532 1 14 . 1 1 21 21 VAL N N 24 126.905 126.905 118.170 8.735 17918 8533 1 14 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.483 -0.135 17918 8534 1 14 . 1 1 21 21 VAL C C 24 176.393 176.393 173.720 2.673 17918 8535 1 14 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.731 3.108 17918 8536 1 14 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.831 0.154 17918 8537 1 14 . 1 1 21 21 VAL H H 24 8.810 8.810 8.058 0.752 17918 8538 1 14 . 1 1 22 22 SER N N 25 121.164 121.164 118.551 2.613 17918 8539 1 14 . 1 1 22 22 SER HA H 25 4.296 4.296 4.941 -0.645 17918 8540 1 14 . 1 1 22 22 SER C C 25 178.264 178.264 175.054 3.210 17918 8541 1 14 . 1 1 22 22 SER CA C 25 59.682 59.682 56.474 3.208 17918 8542 1 14 . 1 1 22 22 SER CB C 25 64.553 64.553 66.684 -2.131 17918 8543 1 14 . 1 1 22 22 SER H H 25 8.657 8.657 7.781 0.876 17918 8544 1 14 . 1 1 23 23 ARG N N 26 129.578 129.578 122.430 7.148 17918 8545 1 14 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.961 0.383 17918 8546 1 14 . 1 1 23 23 ARG C C 26 176.541 176.541 177.591 -1.050 17918 8547 1 14 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.964 0.296 17918 8548 1 14 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.990 0.892 17918 8549 1 14 . 1 1 23 23 ARG H H 26 8.837 8.837 8.856 -0.019 17918 8550 1 14 . 1 1 24 24 ARG N N 27 119.514 119.514 115.352 4.162 17918 8551 1 14 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.206 -0.416 17918 8552 1 14 . 1 1 24 24 ARG C C 27 177.905 177.905 177.437 0.468 17918 8553 1 14 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.154 0.663 17918 8554 1 14 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.404 2.660 17918 8555 1 14 . 1 1 24 24 ARG H H 27 7.439 7.439 8.365 -0.926 17918 8556 1 14 . 1 1 25 25 THR N N 28 127.221 127.221 107.900 19.321 17918 8557 1 14 . 1 1 25 25 THR HA H 28 4.258 4.258 4.423 -0.165 17918 8558 1 14 . 1 1 25 25 THR C C 28 177.078 177.078 175.791 1.287 17918 8559 1 14 . 1 1 25 25 THR CA C 28 62.291 62.291 62.274 0.017 17918 8560 1 14 . 1 1 25 25 THR CB C 28 71.224 71.224 71.591 -0.367 17918 8561 1 14 . 1 1 25 25 THR H H 28 7.088 7.088 7.667 -0.579 17918 8562 1 14 . 1 1 26 26 GLY N N 29 110.483 110.483 110.557 -0.074 17918 8563 1 14 . 1 1 26 26 GLY C C 29 174.471 174.471 173.724 0.747 17918 8564 1 14 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.536 0.933 17918 8565 1 14 . 1 1 26 26 GLY H H 29 7.678 7.678 8.630 -0.952 17918 8566 1 14 . 1 1 27 27 ASP N N 30 120.302 120.302 120.259 0.043 17918 8567 1 14 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.856 -0.094 17918 8568 1 14 . 1 1 27 27 ASP C C 30 177.147 177.147 175.216 1.931 17918 8569 1 14 . 1 1 27 27 ASP CA C 30 54.763 54.763 53.922 0.841 17918 8570 1 14 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.120 0.830 17918 8571 1 14 . 1 1 27 27 ASP H H 30 8.128 8.128 8.356 -0.228 17918 8572 1 14 . 1 1 28 28 SER N N 31 113.726 113.726 114.049 -0.323 17918 8573 1 14 . 1 1 28 28 SER HA H 31 4.629 4.629 5.039 -0.410 17918 8574 1 14 . 1 1 28 28 SER C C 31 178.127 178.127 173.539 4.588 17918 8575 1 14 . 1 1 28 28 SER CA C 31 58.869 58.869 57.653 1.216 17918 8576 1 14 . 1 1 28 28 SER CB C 31 64.796 64.796 66.371 -1.575 17918 8577 1 14 . 1 1 28 28 SER H H 31 8.633 8.633 8.108 0.525 17918 8578 1 14 . 1 1 29 29 THR N N 32 120.655 120.655 117.725 2.930 17918 8579 1 14 . 1 1 29 29 THR HA H 32 4.589 4.589 4.693 -0.104 17918 8580 1 14 . 1 1 29 29 THR C C 32 176.368 176.368 173.488 2.880 17918 8581 1 14 . 1 1 29 29 THR CA C 32 62.892 62.892 61.478 1.414 17918 8582 1 14 . 1 1 29 29 THR CB C 32 69.624 69.624 68.775 0.849 17918 8583 1 14 . 1 1 29 29 THR H H 32 8.397 8.397 8.752 -0.355 17918 8584 1 14 . 1 1 30 30 ALA N N 33 124.923 124.923 124.714 0.209 17918 8585 1 14 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.297 -0.502 17918 8586 1 14 . 1 1 30 30 ALA C C 33 177.708 177.708 176.731 0.977 17918 8587 1 14 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.717 3.111 17918 8588 1 14 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.317 2.532 17918 8589 1 14 . 1 1 30 30 ALA H H 33 8.251 8.251 8.605 -0.354 17918 8590 1 14 . 1 1 31 31 ASP N N 34 114.016 114.016 117.462 -3.446 17918 8591 1 14 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.697 0.034 17918 8592 1 14 . 1 1 31 31 ASP C C 34 176.973 176.973 176.623 0.350 17918 8593 1 14 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.973 0.608 17918 8594 1 14 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.018 -0.118 17918 8595 1 14 . 1 1 31 31 ASP H H 34 8.398 8.398 8.208 0.190 17918 8596 1 14 . 1 1 32 32 VAL N N 35 123.637 123.637 120.250 3.387 17918 8597 1 14 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.613 -0.353 17918 8598 1 14 . 1 1 32 32 VAL C C 35 177.725 177.725 174.286 3.439 17918 8599 1 14 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.407 3.085 17918 8600 1 14 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.081 -0.324 17918 8601 1 14 . 1 1 32 32 VAL H H 35 7.323 7.323 7.390 -0.067 17918 8602 1 14 . 1 1 33 33 THR N N 36 121.552 121.552 117.186 4.366 17918 8603 1 14 . 1 1 33 33 THR HA H 36 4.642 4.642 4.907 -0.265 17918 8604 1 14 . 1 1 33 33 THR C C 36 176.268 176.268 175.305 0.963 17918 8605 1 14 . 1 1 33 33 THR CA C 36 62.597 62.597 59.595 3.002 17918 8606 1 14 . 1 1 33 33 THR CB C 36 72.388 72.388 71.718 0.670 17918 8607 1 14 . 1 1 33 33 THR H H 36 9.078 9.078 8.158 0.920 17918 8608 1 14 . 1 1 34 34 TYR N N 37 122.486 122.486 119.640 2.846 17918 8609 1 14 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.529 -0.095 17918 8610 1 14 . 1 1 34 34 TYR C C 37 177.216 177.216 177.395 -0.179 17918 8611 1 14 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.466 2.575 17918 8612 1 14 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.490 3.004 17918 8613 1 14 . 1 1 34 34 TYR H H 37 9.247 9.247 8.801 0.446 17918 8614 1 14 . 1 1 35 35 GLU N N 38 116.626 116.626 119.113 -2.487 17918 8615 1 14 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.522 0.157 17918 8616 1 14 . 1 1 35 35 GLU C C 38 180.453 180.453 178.660 1.793 17918 8617 1 14 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.343 2.102 17918 8618 1 14 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.562 1.597 17918 8619 1 14 . 1 1 35 35 GLU H H 38 8.782 8.782 7.847 0.935 17918 8620 1 14 . 1 1 36 36 ASP N N 39 120.670 120.670 120.060 0.610 17918 8621 1 14 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.318 0.054 17918 8622 1 14 . 1 1 36 36 ASP C C 39 180.015 180.015 178.285 1.730 17918 8623 1 14 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.005 1.214 17918 8624 1 14 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.730 0.504 17918 8625 1 14 . 1 1 36 36 ASP H H 39 7.916 7.916 7.599 0.317 17918 8626 1 14 . 1 1 37 37 ALA N N 40 126.126 126.126 122.515 3.611 17918 8627 1 14 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.071 -0.231 17918 8628 1 14 . 1 1 37 37 ALA C C 40 179.923 179.923 179.640 0.283 17918 8629 1 14 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.095 1.250 17918 8630 1 14 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.750 1.103 17918 8631 1 14 . 1 1 37 37 ALA H H 40 8.318 8.318 8.138 0.180 17918 8632 1 14 . 1 1 38 38 ILE N N 41 118.850 118.850 119.046 -0.196 17918 8633 1 14 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.554 -0.086 17918 8634 1 14 . 1 1 38 38 ILE C C 41 179.106 179.106 177.837 1.269 17918 8635 1 14 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.134 -0.755 17918 8636 1 14 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.731 -0.440 17918 8637 1 14 . 1 1 38 38 ILE H H 41 8.151 8.151 8.246 -0.095 17918 8638 1 14 . 1 1 39 39 LYS N N 42 120.585 120.585 119.235 1.350 17918 8639 1 14 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.858 0.126 17918 8640 1 14 . 1 1 39 39 LYS C C 42 180.883 180.883 178.492 2.391 17918 8641 1 14 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.811 1.074 17918 8642 1 14 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.066 1.475 17918 8643 1 14 . 1 1 39 39 LYS H H 42 7.519 7.519 8.133 -0.614 17918 8644 1 14 . 1 1 40 40 GLU N N 43 121.167 121.167 119.704 1.463 17918 8645 1 14 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.045 0.271 17918 8646 1 14 . 1 1 40 40 GLU C C 43 179.969 179.969 178.878 1.091 17918 8647 1 14 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.253 0.753 17918 8648 1 14 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.613 1.128 17918 8649 1 14 . 1 1 40 40 GLU H H 43 7.911 7.911 7.669 0.242 17918 8650 1 14 . 1 1 41 41 LEU N N 44 121.081 121.081 120.820 0.261 17918 8651 1 14 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.202 -0.011 17918 8652 1 14 . 1 1 41 41 LEU C C 44 180.778 180.778 179.628 1.150 17918 8653 1 14 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.403 0.530 17918 8654 1 14 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.527 1.358 17918 8655 1 14 . 1 1 41 41 LEU H H 44 8.424 8.424 7.907 0.517 17918 8656 1 14 . 1 1 42 42 GLN N N 45 121.129 121.129 118.057 3.072 17918 8657 1 14 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.152 -0.123 17918 8658 1 14 . 1 1 42 42 GLN C C 45 179.911 179.911 178.748 1.163 17918 8659 1 14 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.541 1.818 17918 8660 1 14 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.312 0.710 17918 8661 1 14 . 1 1 42 42 GLN H H 45 8.971 8.971 8.242 0.729 17918 8662 1 14 . 1 1 43 43 LYS N N 46 121.830 121.830 121.037 0.793 17918 8663 1 14 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.053 -0.046 17918 8664 1 14 . 1 1 43 43 LYS C C 46 180.898 180.898 178.754 2.144 17918 8665 1 14 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.173 1.471 17918 8666 1 14 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.198 0.266 17918 8667 1 14 . 1 1 43 43 LYS H H 46 7.769 7.769 7.610 0.159 17918 8668 1 14 . 1 1 44 44 TRP N N 47 119.737 119.737 121.363 -1.626 17918 8669 1 14 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.206 -0.250 17918 8670 1 14 . 1 1 44 44 TRP C C 47 179.173 179.173 178.462 0.711 17918 8671 1 14 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.309 2.737 17918 8672 1 14 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.574 0.041 17918 8673 1 14 . 1 1 44 44 TRP H H 47 8.002 8.002 8.563 -0.561 17918 8674 1 14 . 1 1 45 45 SER N N 48 114.940 114.940 113.624 1.316 17918 8675 1 14 . 1 1 45 45 SER HA H 48 4.072 4.072 3.953 0.119 17918 8676 1 14 . 1 1 45 45 SER C C 48 178.249 178.249 176.829 1.420 17918 8677 1 14 . 1 1 45 45 SER CA C 48 63.707 63.707 61.568 2.139 17918 8678 1 14 . 1 1 45 45 SER H H 48 8.901 8.901 8.820 0.081 17918 8679 1 14 . 1 1 46 46 GLN N N 49 121.411 121.411 122.402 -0.991 17918 8680 1 14 . 1 1 46 46 GLN HA H 49 4.197 4.197 3.981 0.216 17918 8681 1 14 . 1 1 46 46 GLN C C 49 179.809 179.809 178.121 1.688 17918 8682 1 14 . 1 1 46 46 GLN CA C 49 59.859 59.859 59.056 0.803 17918 8683 1 14 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.666 0.527 17918 8684 1 14 . 1 1 46 46 GLN H H 49 7.950 7.950 7.557 0.393 17918 8685 1 14 . 1 1 47 47 ARG N N 50 121.809 121.809 119.165 2.644 17918 8686 1 14 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.304 -0.253 17918 8687 1 14 . 1 1 47 47 ARG C C 50 179.464 179.464 179.266 0.198 17918 8688 1 14 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.472 1.575 17918 8689 1 14 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.382 1.611 17918 8690 1 14 . 1 1 47 47 ARG H H 50 7.834 7.834 7.955 -0.121 17918 8691 1 14 . 1 1 48 48 ILE N N 51 120.569 120.569 119.256 1.313 17918 8692 1 14 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.397 0.091 17918 8693 1 14 . 1 1 48 48 ILE C C 51 181.848 181.848 178.165 3.683 17918 8694 1 14 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.498 0.065 17918 8695 1 14 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.958 2.735 17918 8696 1 14 . 1 1 48 48 ILE H H 51 8.127 8.127 8.637 -0.510 17918 8697 1 14 . 1 1 49 49 ALA N N 52 124.538 124.538 121.053 3.485 17918 8698 1 14 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.174 0.035 17918 8699 1 14 . 1 1 49 49 ALA C C 52 181.120 181.120 178.600 2.520 17918 8700 1 14 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.057 2.362 17918 8701 1 14 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.131 0.285 17918 8702 1 14 . 1 1 49 49 ALA H H 52 8.526 8.526 7.711 0.815 17918 8703 1 14 . 1 1 50 50 SER N N 53 111.097 111.097 113.675 -2.578 17918 8704 1 14 . 1 1 50 50 SER HA H 53 4.428 4.428 4.277 0.151 17918 8705 1 14 . 1 1 50 50 SER C C 53 176.608 176.608 176.281 0.327 17918 8706 1 14 . 1 1 50 50 SER CA C 53 60.248 60.248 59.683 0.565 17918 8707 1 14 . 1 1 50 50 SER CB C 53 65.098 65.098 64.653 0.445 17918 8708 1 14 . 1 1 50 50 SER H H 53 8.124 8.124 8.147 -0.023 17918 8709 1 14 . 1 1 51 51 GLY N N 54 110.581 110.581 109.204 1.377 17918 8710 1 14 . 1 1 51 51 GLY C C 54 175.699 175.699 174.983 0.716 17918 8711 1 14 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.801 1.630 17918 8712 1 14 . 1 1 51 51 GLY H H 54 7.904 7.904 8.242 -0.338 17918 8713 1 14 . 1 1 52 52 GLU N N 55 122.231 122.231 120.504 1.727 17918 8714 1 14 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.126 -0.123 17918 8715 1 14 . 1 1 52 52 GLU C C 55 177.647 177.647 176.823 0.824 17918 8716 1 14 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.552 1.536 17918 8717 1 14 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.219 1.404 17918 8718 1 14 . 1 1 52 52 GLU H H 55 8.204 8.204 7.931 0.273 17918 8719 1 14 . 1 1 53 53 VAL N N 56 111.615 111.615 113.371 -1.756 17918 8720 1 14 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.582 -0.003 17918 8721 1 14 . 1 1 53 53 VAL C C 56 175.225 175.225 174.821 0.404 17918 8722 1 14 . 1 1 53 53 VAL CA C 56 59.684 59.684 60.031 -0.347 17918 8723 1 14 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.545 0.988 17918 8724 1 14 . 1 1 53 53 VAL H H 56 7.274 7.274 7.344 -0.070 17918 8725 1 14 . 1 1 54 54 SER N N 57 119.532 119.532 117.691 1.841 17918 8726 1 14 . 1 1 54 54 SER HA H 57 4.692 4.692 4.635 0.057 17918 8727 1 14 . 1 1 54 54 SER C C 57 176.092 176.092 175.551 0.541 17918 8728 1 14 . 1 1 54 54 SER CA C 57 58.189 58.189 57.139 1.050 17918 8729 1 14 . 1 1 54 54 SER CB C 57 66.447 66.447 65.285 1.162 17918 8730 1 14 . 1 1 54 54 SER H H 57 8.637 8.637 8.124 0.513 17918 8731 1 14 . 1 1 55 55 PHE N N 58 123.609 123.609 121.974 1.635 17918 8732 1 14 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.143 -0.489 17918 8733 1 14 . 1 1 55 55 PHE C C 58 177.469 177.469 177.096 0.373 17918 8734 1 14 . 1 1 55 55 PHE CA C 58 63.857 63.857 60.936 2.921 17918 8735 1 14 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.761 2.205 17918 8736 1 14 . 1 1 55 55 PHE H H 58 9.326 9.326 9.065 0.261 17918 8737 1 14 . 1 1 56 56 GLU N N 59 116.994 116.994 119.054 -2.060 17918 8738 1 14 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.350 -0.145 17918 8739 1 14 . 1 1 56 56 GLU C C 59 180.852 180.852 179.432 1.420 17918 8740 1 14 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.815 1.552 17918 8741 1 14 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.170 0.660 17918 8742 1 14 . 1 1 56 56 GLU H H 59 9.464 9.464 8.874 0.590 17918 8743 1 14 . 1 1 57 57 GLU N N 60 122.452 122.452 118.894 3.558 17918 8744 1 14 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.055 -0.032 17918 8745 1 14 . 1 1 57 57 GLU C C 60 179.899 179.899 178.622 1.277 17918 8746 1 14 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.924 1.089 17918 8747 1 14 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.090 2.095 17918 8748 1 14 . 1 1 57 57 GLU H H 60 7.978 7.978 7.725 0.253 17918 8749 1 14 . 1 1 58 58 ALA N N 61 123.053 123.053 121.812 1.241 17918 8750 1 14 . 1 1 58 58 ALA HA H 61 3.581 3.581 2.990 0.591 17918 8751 1 14 . 1 1 58 58 ALA C C 61 179.854 179.854 178.945 0.909 17918 8752 1 14 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.541 1.340 17918 8753 1 14 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.454 2.606 17918 8754 1 14 . 1 1 58 58 ALA H H 61 8.157 8.157 7.135 1.022 17918 8755 1 14 . 1 1 59 59 ALA N N 62 120.029 120.029 120.874 -0.845 17918 8756 1 14 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.916 -0.364 17918 8757 1 14 . 1 1 59 59 ALA C C 62 181.080 181.080 179.879 1.201 17918 8758 1 14 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.965 1.453 17918 8759 1 14 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.513 -0.471 17918 8760 1 14 . 1 1 59 59 ALA H H 62 8.540 8.540 8.307 0.233 17918 8761 1 14 . 1 1 60 60 SER N N 63 113.010 113.010 111.320 1.690 17918 8762 1 14 . 1 1 60 60 SER HA H 63 4.766 4.766 4.369 0.397 17918 8763 1 14 . 1 1 60 60 SER C C 63 176.299 176.299 175.745 0.554 17918 8764 1 14 . 1 1 60 60 SER CA C 63 62.414 62.414 61.562 0.852 17918 8765 1 14 . 1 1 60 60 SER CB C 63 64.687 64.687 63.517 1.169 17918 8766 1 14 . 1 1 60 60 SER H H 63 8.013 8.013 7.828 0.185 17918 8767 1 14 . 1 1 61 61 GLN N N 64 115.830 115.830 115.220 0.610 17918 8768 1 14 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.454 -0.324 17918 8769 1 14 . 1 1 61 61 GLN C C 64 178.579 178.579 176.900 1.679 17918 8770 1 14 . 1 1 61 61 GLN CA C 64 58.366 58.366 56.956 1.410 17918 8771 1 14 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.631 1.745 17918 8772 1 14 . 1 1 61 61 GLN H H 64 7.496 7.496 7.575 -0.079 17918 8773 1 14 . 1 1 62 62 ARG N N 65 115.716 115.716 117.820 -2.104 17918 8774 1 14 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.532 -0.071 17918 8775 1 14 . 1 1 62 62 ARG C C 65 176.601 176.601 176.834 -0.233 17918 8776 1 14 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.924 -2.293 17918 8777 1 14 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.139 1.518 17918 8778 1 14 . 1 1 62 62 ARG H H 65 7.693 7.693 8.518 -0.825 17918 8779 1 14 . 1 1 63 63 SER N N 66 114.680 114.680 116.043 -1.363 17918 8780 1 14 . 1 1 63 63 SER HA H 66 4.222 4.222 4.622 -0.400 17918 8781 1 14 . 1 1 63 63 SER C C 66 177.034 177.034 175.063 1.971 17918 8782 1 14 . 1 1 63 63 SER CA C 66 59.677 59.677 58.273 1.405 17918 8783 1 14 . 1 1 63 63 SER CB C 66 65.786 65.786 63.195 2.591 17918 8784 1 14 . 1 1 63 63 SER H H 66 8.528 8.528 7.621 0.907 17918 8785 1 14 . 1 1 64 64 ASP N N 67 123.612 123.612 126.111 -2.499 17918 8786 1 14 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.338 0.561 17918 8787 1 14 . 1 1 64 64 ASP C C 67 176.674 176.674 176.543 0.131 17918 8788 1 14 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.242 -0.251 17918 8789 1 14 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.452 2.205 17918 8790 1 14 . 1 1 64 64 ASP H H 67 9.645 9.645 8.859 0.786 17918 8791 1 14 . 1 1 65 65 CYS N N 68 124.716 124.716 116.208 8.508 17918 8792 1 14 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.585 -0.140 17918 8793 1 14 . 1 1 65 65 CYS C C 68 177.747 177.747 177.258 0.489 17918 8794 1 14 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.626 1.492 17918 8795 1 14 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.738 0.721 17918 8796 1 14 . 1 1 65 65 CYS H H 68 7.903 7.903 7.498 0.405 17918 8797 1 14 . 1 1 66 66 GLY N N 69 118.503 118.503 110.384 8.119 17918 8798 1 14 . 1 1 66 66 GLY C C 69 175.872 175.872 175.531 0.341 17918 8799 1 14 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.214 1.728 17918 8800 1 14 . 1 1 66 66 GLY H H 69 8.811 8.811 9.046 -0.235 17918 8801 1 14 . 1 1 67 67 SER N N 70 120.316 120.316 117.686 2.630 17918 8802 1 14 . 1 1 67 67 SER HA H 70 4.245 4.245 4.187 0.058 17918 8803 1 14 . 1 1 67 67 SER C C 70 178.404 178.404 176.023 2.381 17918 8804 1 14 . 1 1 67 67 SER CA C 70 61.611 61.611 60.324 1.287 17918 8805 1 14 . 1 1 67 67 SER CB C 70 64.297 64.297 62.361 1.936 17918 8806 1 14 . 1 1 67 67 SER H H 70 9.556 9.556 8.301 1.255 17918 8807 1 14 . 1 1 68 68 TYR N N 71 129.376 129.376 121.938 7.438 17918 8808 1 14 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.324 -0.293 17918 8809 1 14 . 1 1 68 68 TYR C C 71 177.613 177.613 177.313 0.300 17918 8810 1 14 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.191 3.200 17918 8811 1 14 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.539 0.258 17918 8812 1 14 . 1 1 68 68 TYR H H 71 8.584 8.584 8.454 0.130 17918 8813 1 14 . 1 1 69 69 ALA N N 72 122.673 122.673 122.197 0.476 17918 8814 1 14 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.776 -0.131 17918 8815 1 14 . 1 1 69 69 ALA C C 72 179.011 179.011 177.928 1.083 17918 8816 1 14 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.828 0.462 17918 8817 1 14 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.136 0.985 17918 8818 1 14 . 1 1 69 69 ALA H H 72 5.645 5.645 7.229 -1.584 17918 8819 1 14 . 1 1 70 70 SER N N 73 114.496 114.496 112.326 2.170 17918 8820 1 14 . 1 1 70 70 SER HA H 73 4.782 4.782 4.483 0.299 17918 8821 1 14 . 1 1 70 70 SER C C 73 177.320 177.320 175.352 1.968 17918 8822 1 14 . 1 1 70 70 SER CA C 73 57.287 57.287 57.799 -0.512 17918 8823 1 14 . 1 1 70 70 SER CB C 73 64.538 64.538 64.033 0.505 17918 8824 1 14 . 1 1 70 70 SER H H 73 7.654 7.654 7.559 0.095 17918 8825 1 14 . 1 1 71 71 GLY N N 74 112.182 112.182 110.596 1.586 17918 8826 1 14 . 1 1 71 71 GLY C C 74 174.379 174.379 174.346 0.033 17918 8827 1 14 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.707 3.727 17918 8828 1 14 . 1 1 71 71 GLY H H 74 7.933 7.933 7.567 0.366 17918 8829 1 14 . 1 1 72 72 GLY N N 75 126.463 126.463 107.839 18.624 17918 8830 1 14 . 1 1 72 72 GLY C C 75 175.121 175.121 172.845 2.276 17918 8831 1 14 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.558 0.514 17918 8832 1 14 . 1 1 72 72 GLY H H 75 7.994 7.994 8.396 -0.402 17918 8833 1 14 . 1 1 73 73 ASP N N 76 118.815 118.815 121.637 -2.822 17918 8834 1 14 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.519 -0.105 17918 8835 1 14 . 1 1 73 73 ASP C C 76 177.362 177.362 174.871 2.491 17918 8836 1 14 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.880 2.243 17918 8837 1 14 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.105 0.346 17918 8838 1 14 . 1 1 73 73 ASP H H 76 6.956 6.956 7.740 -0.784 17918 8839 1 14 . 1 1 74 74 LEU N N 77 128.720 128.720 124.171 4.549 17918 8840 1 14 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.646 -0.291 17918 8841 1 14 . 1 1 74 74 LEU C C 77 179.412 179.412 177.936 1.476 17918 8842 1 14 . 1 1 74 74 LEU CA C 77 56.134 56.134 55.276 0.858 17918 8843 1 14 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.192 1.650 17918 8844 1 14 . 1 1 74 74 LEU H H 77 8.694 8.694 8.571 0.123 17918 8845 1 14 . 1 1 75 75 GLY N N 78 109.695 109.695 107.917 1.778 17918 8846 1 14 . 1 1 75 75 GLY C C 78 173.473 173.473 174.484 -1.011 17918 8847 1 14 . 1 1 75 75 GLY CA C 78 45.346 45.346 44.803 0.543 17918 8848 1 14 . 1 1 75 75 GLY H H 78 8.682 8.682 7.605 1.077 17918 8849 1 14 . 1 1 76 76 PHE N N 79 115.646 115.646 115.774 -0.128 17918 8850 1 14 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.870 1.349 17918 8851 1 14 . 1 1 76 76 PHE C C 79 178.904 178.904 174.858 4.046 17918 8852 1 14 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.364 0.092 17918 8853 1 14 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.391 3.426 17918 8854 1 14 . 1 1 76 76 PHE H H 79 8.203 8.203 7.401 0.802 17918 8855 1 14 . 1 1 77 77 PHE N N 80 119.508 119.508 116.781 2.727 17918 8856 1 14 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.896 0.241 17918 8857 1 14 . 1 1 77 77 PHE C C 80 174.331 174.331 173.310 1.021 17918 8858 1 14 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.269 0.627 17918 8859 1 14 . 1 1 77 77 PHE CB C 80 42.463 42.463 40.872 1.591 17918 8860 1 14 . 1 1 77 77 PHE H H 80 9.112 9.112 8.737 0.375 17918 8861 1 14 . 1 1 78 78 SER N N 81 116.578 116.578 115.868 0.710 17918 8862 1 14 . 1 1 78 78 SER HA H 81 4.957 4.957 5.524 -0.567 17918 8863 1 14 . 1 1 78 78 SER C C 81 176.191 176.191 176.731 -0.540 17918 8864 1 14 . 1 1 78 78 SER CA C 81 58.065 58.065 56.514 1.551 17918 8865 1 14 . 1 1 78 78 SER CB C 81 66.514 66.514 65.336 1.178 17918 8866 1 14 . 1 1 78 78 SER H H 81 8.930 8.930 8.852 0.078 17918 8867 1 14 . 1 1 79 79 SER N N 82 118.715 118.715 121.862 -3.147 17918 8868 1 14 . 1 1 79 79 SER HA H 82 4.420 4.420 4.333 0.087 17918 8869 1 14 . 1 1 79 79 SER C C 82 176.946 176.946 176.888 0.058 17918 8870 1 14 . 1 1 79 79 SER CA C 82 60.988 60.988 60.632 0.356 17918 8871 1 14 . 1 1 79 79 SER CB C 82 64.242 64.242 62.642 1.600 17918 8872 1 14 . 1 1 79 79 SER H H 82 8.751 8.751 9.252 -0.501 17918 8873 1 14 . 1 1 80 80 GLY N N 83 117.069 117.069 108.663 8.406 17918 8874 1 14 . 1 1 80 80 GLY C C 83 175.628 175.628 173.682 1.946 17918 8875 1 14 . 1 1 80 80 GLY CA C 83 46.632 46.632 45.205 1.427 17918 8876 1 14 . 1 1 80 80 GLY H H 83 10.009 10.009 8.482 1.528 17918 8877 1 14 . 1 1 81 81 GLU N N 84 120.322 120.322 120.640 -0.318 17918 8878 1 14 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.371 -0.140 17918 8879 1 14 . 1 1 81 81 GLU C C 84 178.456 178.456 176.361 2.095 17918 8880 1 14 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.078 3.649 17918 8881 1 14 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.299 2.422 17918 8882 1 14 . 1 1 81 81 GLU H H 84 7.812 7.812 8.231 -0.419 17918 8883 1 14 . 1 1 82 82 MET N N 85 117.156 117.156 116.093 1.063 17918 8884 1 14 . 1 1 82 82 MET HA H 85 4.569 4.569 4.758 -0.189 17918 8885 1 14 . 1 1 82 82 MET C C 85 176.991 176.991 175.616 1.375 17918 8886 1 14 . 1 1 82 82 MET CA C 85 53.174 53.174 53.765 -0.591 17918 8887 1 14 . 1 1 82 82 MET CB C 85 34.386 34.386 33.842 0.544 17918 8888 1 14 . 1 1 82 82 MET H H 85 8.601 8.601 7.492 1.109 17918 8889 1 14 . 1 1 83 83 MET N N 86 119.413 119.413 119.101 0.312 17918 8890 1 14 . 1 1 83 83 MET HA H 86 4.273 4.273 4.463 -0.190 17918 8891 1 14 . 1 1 83 83 MET C C 86 178.979 178.979 177.945 1.034 17918 8892 1 14 . 1 1 83 83 MET CA C 86 58.320 58.320 55.469 2.851 17918 8893 1 14 . 1 1 83 83 MET CB C 86 34.339 34.339 33.033 1.306 17918 8894 1 14 . 1 1 83 83 MET H H 86 8.413 8.413 8.201 0.212 17918 8895 1 14 . 1 1 84 84 LYS N N 87 126.834 126.834 124.462 2.372 17918 8896 1 14 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.001 0.739 17918 8897 1 14 . 1 1 84 84 LYS C C 87 175.267 175.267 176.495 -1.228 17918 8898 1 14 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.736 0.725 17918 8899 1 14 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.797 0.638 17918 8900 1 14 . 1 1 84 84 LYS H H 87 9.099 9.099 9.089 0.010 17918 8901 1 14 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.339 0.126 17918 8902 1 14 . 1 1 85 85 PRO C C 88 180.671 180.671 178.325 2.346 17918 8903 1 14 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.255 1.488 17918 8904 1 14 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.152 1.104 17918 8905 1 14 . 1 1 86 86 PHE N N 89 116.583 116.583 120.257 -3.674 17918 8906 1 14 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.162 -0.515 17918 8907 1 14 . 1 1 86 86 PHE C C 89 177.086 177.086 176.932 0.154 17918 8908 1 14 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.381 1.103 17918 8909 1 14 . 1 1 86 86 PHE CB C 89 41.510 41.510 38.906 2.604 17918 8910 1 14 . 1 1 86 86 PHE H H 89 7.102 7.102 7.927 -0.825 17918 8911 1 14 . 1 1 87 87 GLU N N 90 120.506 120.506 120.243 0.263 17918 8912 1 14 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.641 0.083 17918 8913 1 14 . 1 1 87 87 GLU C C 90 179.102 179.102 178.592 0.510 17918 8914 1 14 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.330 2.527 17918 8915 1 14 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.022 1.762 17918 8916 1 14 . 1 1 87 87 GLU H H 90 8.126 8.126 8.655 -0.529 17918 8917 1 14 . 1 1 88 88 ASP N N 91 118.355 118.355 118.852 -0.497 17918 8918 1 14 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.360 -0.125 17918 8919 1 14 . 1 1 88 88 ASP C C 91 180.067 180.067 178.115 1.952 17918 8920 1 14 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.358 0.946 17918 8921 1 14 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.773 0.253 17918 8922 1 14 . 1 1 88 88 ASP H H 91 9.121 9.121 8.030 1.091 17918 8923 1 14 . 1 1 89 89 ALA N N 92 121.718 121.718 121.600 0.118 17918 8924 1 14 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.145 -0.073 17918 8925 1 14 . 1 1 89 89 ALA C C 92 181.131 181.131 179.632 1.499 17918 8926 1 14 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.590 1.255 17918 8927 1 14 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.532 1.567 17918 8928 1 14 . 1 1 89 89 ALA H H 92 7.154 7.154 7.265 -0.111 17918 8929 1 14 . 1 1 90 90 VAL N N 93 117.315 117.315 117.597 -0.282 17918 8930 1 14 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.523 -0.108 17918 8931 1 14 . 1 1 90 90 VAL C C 93 178.908 178.908 178.208 0.700 17918 8932 1 14 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.802 1.952 17918 8933 1 14 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.409 0.940 17918 8934 1 14 . 1 1 90 90 VAL H H 93 7.797 7.797 7.317 0.480 17918 8935 1 14 . 1 1 91 91 ARG N N 94 116.826 116.826 117.508 -0.682 17918 8936 1 14 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.175 -0.321 17918 8937 1 14 . 1 1 91 91 ARG C C 94 177.858 177.858 177.478 0.380 17918 8938 1 14 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.364 2.102 17918 8939 1 14 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.884 1.204 17918 8940 1 14 . 1 1 91 91 ARG H H 94 8.154 8.154 7.993 0.161 17918 8941 1 14 . 1 1 92 92 ALA N N 95 118.849 118.849 121.384 -2.535 17918 8942 1 14 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.232 0.061 17918 8943 1 14 . 1 1 92 92 ALA C C 95 178.452 178.452 177.577 0.875 17918 8944 1 14 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.365 0.112 17918 8945 1 14 . 1 1 92 92 ALA CB C 95 20.147 20.147 18.885 1.262 17918 8946 1 14 . 1 1 92 92 ALA H H 95 7.067 7.067 7.490 -0.423 17918 8947 1 14 . 1 1 93 93 LEU N N 96 120.871 120.871 115.825 5.046 17918 8948 1 14 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.653 -0.139 17918 8949 1 14 . 1 1 93 93 LEU C C 96 179.045 179.045 175.860 3.185 17918 8950 1 14 . 1 1 93 93 LEU CA C 96 55.163 55.163 52.715 2.449 17918 8951 1 14 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.507 1.425 17918 8952 1 14 . 1 1 93 93 LEU H H 96 7.396 7.396 7.273 0.123 17918 8953 1 14 . 1 1 94 94 LYS N N 97 121.289 121.289 120.388 0.901 17918 8954 1 14 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.347 0.061 17918 8955 1 14 . 1 1 94 94 LYS C C 97 178.629 178.629 176.570 2.059 17918 8956 1 14 . 1 1 94 94 LYS CA C 97 56.294 56.294 55.095 1.199 17918 8957 1 14 . 1 1 94 94 LYS CB C 97 33.395 33.395 33.274 0.121 17918 8958 1 14 . 1 1 94 94 LYS H H 97 8.274 8.274 8.493 -0.219 17918 8959 1 14 . 1 1 95 95 ILE N N 98 122.343 122.343 125.907 -3.564 17918 8960 1 14 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.682 -0.617 17918 8961 1 14 . 1 1 95 95 ILE C C 98 178.406 178.406 176.920 1.486 17918 8962 1 14 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.466 2.828 17918 8963 1 14 . 1 1 95 95 ILE CB C 98 38.162 38.162 37.016 1.146 17918 8964 1 14 . 1 1 95 95 ILE H H 98 8.396 8.396 8.627 -0.231 17918 8965 1 14 . 1 1 96 96 GLY N N 99 118.074 118.074 116.320 1.754 17918 8966 1 14 . 1 1 96 96 GLY C C 99 174.605 174.605 174.344 0.261 17918 8967 1 14 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.488 1.685 17918 8968 1 14 . 1 1 96 96 GLY H H 99 8.988 8.988 8.557 0.431 17918 8969 1 14 . 1 1 97 97 ASP N N 100 121.984 121.984 121.709 0.275 17918 8970 1 14 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.957 -0.162 17918 8971 1 14 . 1 1 97 97 ASP C C 100 175.344 175.344 175.107 0.237 17918 8972 1 14 . 1 1 97 97 ASP CA C 100 55.037 55.037 53.897 1.140 17918 8973 1 14 . 1 1 97 97 ASP CB C 100 43.953 43.953 43.532 0.421 17918 8974 1 14 . 1 1 97 97 ASP H H 100 7.978 7.978 8.521 -0.543 17918 8975 1 14 . 1 1 98 98 ILE N N 101 117.483 117.483 118.724 -1.241 17918 8976 1 14 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.507 0.653 17918 8977 1 14 . 1 1 98 98 ILE C C 101 178.147 178.147 175.455 2.692 17918 8978 1 14 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.095 0.241 17918 8979 1 14 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.854 0.439 17918 8980 1 14 . 1 1 98 98 ILE H H 101 8.048 8.048 8.275 -0.227 17918 8981 1 14 . 1 1 99 99 SER N N 102 126.778 126.778 124.679 2.099 17918 8982 1 14 . 1 1 99 99 SER HA H 102 4.526 4.526 4.787 -0.261 17918 8983 1 14 . 1 1 99 99 SER C C 102 172.735 172.735 173.677 -0.942 17918 8984 1 14 . 1 1 99 99 SER CA C 102 59.441 59.441 56.903 2.538 17918 8985 1 14 . 1 1 99 99 SER CB C 102 64.572 64.572 63.338 1.234 17918 8986 1 14 . 1 1 99 99 SER H H 102 9.722 9.722 9.036 0.686 17918 8987 1 14 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.521 0.298 17918 8988 1 14 . 1 1 100 100 PRO C C 103 176.647 176.647 176.913 -0.266 17918 8989 1 14 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.480 0.647 17918 8990 1 14 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.610 0.829 17918 8991 1 14 . 1 1 101 101 ILE N N 104 120.048 120.048 118.723 1.325 17918 8992 1 14 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.087 0.220 17918 8993 1 14 . 1 1 101 101 ILE C C 104 178.021 178.021 176.499 1.522 17918 8994 1 14 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.936 3.205 17918 8995 1 14 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.895 1.075 17918 8996 1 14 . 1 1 101 101 ILE H H 104 8.199 8.199 8.236 -0.037 17918 8997 1 14 . 1 1 102 102 VAL N N 105 130.676 130.676 128.479 2.197 17918 8998 1 14 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.397 -0.040 17918 8999 1 14 . 1 1 102 102 VAL C C 105 175.118 175.118 174.834 0.284 17918 9000 1 14 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.068 0.739 17918 9001 1 14 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.486 3.897 17918 9002 1 14 . 1 1 102 102 VAL H H 105 9.285 9.285 8.864 0.421 17918 9003 1 14 . 1 1 103 103 GLN N N 106 128.464 128.464 128.277 0.187 17918 9004 1 14 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.618 0.831 17918 9005 1 14 . 1 1 103 103 GLN C C 106 176.704 176.704 175.867 0.837 17918 9006 1 14 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.782 -0.722 17918 9007 1 14 . 1 1 103 103 GLN CB C 106 31.032 31.032 28.631 2.401 17918 9008 1 14 . 1 1 103 103 GLN H H 106 8.900 8.900 8.952 -0.052 17918 9009 1 14 . 1 1 104 104 THR N N 107 116.680 116.680 118.615 -1.935 17918 9010 1 14 . 1 1 104 104 THR HA H 107 4.978 4.978 4.611 0.367 17918 9011 1 14 . 1 1 104 104 THR C C 107 177.189 177.189 174.168 3.021 17918 9012 1 14 . 1 1 104 104 THR CA C 107 61.836 61.836 60.448 1.388 17918 9013 1 14 . 1 1 104 104 THR CB C 107 73.663 73.663 70.585 3.078 17918 9014 1 14 . 1 1 104 104 THR H H 107 9.275 9.275 8.884 0.391 17918 9015 1 14 . 1 1 105 105 ASP N N 108 119.651 119.651 120.657 -1.006 17918 9016 1 14 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.375 0.203 17918 9017 1 14 . 1 1 105 105 ASP C C 108 179.034 179.034 176.984 2.050 17918 9018 1 14 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.393 0.562 17918 9019 1 14 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.972 1.044 17918 9020 1 14 . 1 1 105 105 ASP H H 108 8.945 8.945 8.870 0.075 17918 9021 1 14 . 1 1 106 106 SER N N 109 114.257 114.257 112.724 1.533 17918 9022 1 14 . 1 1 106 106 SER HA H 109 4.642 4.642 4.360 0.282 17918 9023 1 14 . 1 1 106 106 SER C C 109 177.224 177.224 174.337 2.887 17918 9024 1 14 . 1 1 106 106 SER CA C 109 62.788 62.788 59.957 2.831 17918 9025 1 14 . 1 1 106 106 SER CB C 109 64.767 64.767 63.756 1.011 17918 9026 1 14 . 1 1 106 106 SER H H 109 8.968 8.968 8.412 0.556 17918 9027 1 14 . 1 1 107 107 GLY N N 110 111.288 111.288 107.237 4.051 17918 9028 1 14 . 1 1 107 107 GLY C C 110 169.468 169.468 172.277 -2.809 17918 9029 1 14 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.158 1.540 17918 9030 1 14 . 1 1 107 107 GLY H H 110 7.829 7.829 7.722 0.107 17918 9031 1 14 . 1 1 108 108 LEU N N 111 122.506 122.506 121.438 1.068 17918 9032 1 14 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.072 0.299 17918 9033 1 14 . 1 1 108 108 LEU C C 111 175.948 175.948 175.591 0.357 17918 9034 1 14 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.115 0.161 17918 9035 1 14 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.458 1.317 17918 9036 1 14 . 1 1 108 108 LEU H H 111 8.143 8.143 8.597 -0.454 17918 9037 1 14 . 1 1 109 109 HIS N N 112 119.518 119.518 123.002 -3.484 17918 9038 1 14 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.840 0.255 17918 9039 1 14 . 1 1 109 109 HIS C C 112 179.186 179.186 174.856 4.330 17918 9040 1 14 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.640 0.740 17918 9041 1 14 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.398 0.440 17918 9042 1 14 . 1 1 109 109 HIS H H 112 9.764 9.764 9.257 0.507 17918 9043 1 14 . 1 1 110 110 ILE N N 113 113.128 113.128 119.275 -6.147 17918 9044 1 14 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.877 -0.418 17918 9045 1 14 . 1 1 110 110 ILE C C 113 176.666 176.666 174.270 2.396 17918 9046 1 14 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.057 4.380 17918 9047 1 14 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.621 2.115 17918 9048 1 14 . 1 1 110 110 ILE H H 113 8.117 8.117 8.411 -0.294 17918 9049 1 14 . 1 1 111 111 ILE N N 114 125.121 125.121 123.022 2.099 17918 9050 1 14 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.216 -0.446 17918 9051 1 14 . 1 1 111 111 ILE C C 114 173.792 173.792 174.327 -0.535 17918 9052 1 14 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.962 2.022 17918 9053 1 14 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.187 1.496 17918 9054 1 14 . 1 1 111 111 ILE H H 114 8.604 8.604 9.060 -0.456 17918 9055 1 14 . 1 1 112 112 LYS N N 115 127.966 127.966 124.283 3.683 17918 9056 1 14 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.311 -0.138 17918 9057 1 14 . 1 1 112 112 LYS C C 115 177.267 177.267 175.071 2.196 17918 9058 1 14 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.188 0.187 17918 9059 1 14 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.245 0.268 17918 9060 1 14 . 1 1 112 112 LYS H H 115 9.075 9.075 9.089 -0.014 17918 9061 1 14 . 1 1 113 113 ARG N N 116 126.762 126.762 124.085 2.677 17918 9062 1 14 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.178 0.157 17918 9063 1 14 . 1 1 113 113 ARG C C 116 176.109 176.109 176.074 0.035 17918 9064 1 14 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.103 1.720 17918 9065 1 14 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.051 0.806 17918 9066 1 14 . 1 1 113 113 ARG H H 116 7.830 7.830 8.452 -0.622 17918 9067 1 14 . 1 1 114 114 LEU N N 117 128.545 128.545 126.201 2.344 17918 9068 1 14 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.583 0.040 17918 9069 1 14 . 1 1 114 114 LEU C C 117 176.857 176.857 175.757 1.100 17918 9070 1 14 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.273 1.719 17918 9071 1 14 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.713 1.426 17918 9072 1 14 . 1 1 114 114 LEU H H 117 8.534 8.534 9.056 -0.522 17918 9073 1 15 . 1 1 2 2 SER N N 5 117.478 117.478 116.502 0.976 17918 9074 1 15 . 1 1 2 2 SER HA H 5 4.393 4.393 4.302 0.091 17918 9075 1 15 . 1 1 2 2 SER C C 5 175.466 175.466 174.720 0.746 17918 9076 1 15 . 1 1 2 2 SER CA C 5 59.622 59.622 59.644 -0.022 17918 9077 1 15 . 1 1 2 2 SER CB C 5 64.896 64.896 63.212 1.683 17918 9078 1 15 . 1 1 2 2 SER H H 5 8.317 8.317 8.129 0.188 17918 9079 1 15 . 1 1 3 3 GLU N N 6 123.783 123.783 120.816 2.967 17918 9080 1 15 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.380 -0.102 17918 9081 1 15 . 1 1 3 3 GLU C C 6 177.189 177.189 175.237 1.952 17918 9082 1 15 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.417 2.374 17918 9083 1 15 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.495 1.073 17918 9084 1 15 . 1 1 3 3 GLU H H 6 8.359 8.359 7.718 0.641 17918 9085 1 15 . 1 1 4 4 LYS N N 7 122.875 122.875 116.986 5.889 17918 9086 1 15 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.079 0.435 17918 9087 1 15 . 1 1 4 4 LYS C C 7 176.557 176.557 174.866 1.691 17918 9088 1 15 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.903 -0.077 17918 9089 1 15 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.340 4.053 17918 9090 1 15 . 1 1 4 4 LYS H H 7 8.193 8.193 8.257 -0.064 17918 9091 1 15 . 1 1 5 5 LEU N N 8 123.258 123.258 122.555 0.703 17918 9092 1 15 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.558 -0.164 17918 9093 1 15 . 1 1 5 5 LEU C C 8 175.699 175.699 173.859 1.840 17918 9094 1 15 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.476 1.066 17918 9095 1 15 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.577 -0.065 17918 9096 1 15 . 1 1 5 5 LEU H H 8 8.265 8.265 8.598 -0.333 17918 9097 1 15 . 1 1 6 6 ARG N N 9 117.197 117.197 119.410 -2.213 17918 9098 1 15 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.926 -0.322 17918 9099 1 15 . 1 1 6 6 ARG C C 9 175.633 175.633 173.636 1.997 17918 9100 1 15 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.525 1.650 17918 9101 1 15 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.514 1.906 17918 9102 1 15 . 1 1 6 6 ARG H H 9 7.759 7.759 8.948 -1.189 17918 9103 1 15 . 1 1 7 7 ALA N N 10 126.954 126.954 126.429 0.525 17918 9104 1 15 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.126 0.014 17918 9105 1 15 . 1 1 7 7 ALA C C 10 174.004 174.004 174.720 -0.716 17918 9106 1 15 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.366 0.501 17918 9107 1 15 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.483 1.524 17918 9108 1 15 . 1 1 7 7 ALA H H 10 7.637 7.637 8.616 -0.979 17918 9109 1 15 . 1 1 8 8 ALA N N 11 122.081 122.081 121.891 0.190 17918 9110 1 15 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.687 1.103 17918 9111 1 15 . 1 1 8 8 ALA C C 11 177.446 177.446 174.705 2.741 17918 9112 1 15 . 1 1 8 8 ALA CA C 11 50.276 50.276 49.733 0.543 17918 9113 1 15 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.631 2.990 17918 9114 1 15 . 1 1 8 8 ALA H H 11 8.991 8.991 8.899 0.092 17918 9115 1 15 . 1 1 9 9 HIS N N 12 118.002 118.002 118.602 -0.600 17918 9116 1 15 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.756 0.373 17918 9117 1 15 . 1 1 9 9 HIS C C 12 172.689 172.689 173.106 -0.417 17918 9118 1 15 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.542 1.554 17918 9119 1 15 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.560 5.172 17918 9120 1 15 . 1 1 9 9 HIS H H 12 9.489 9.489 7.976 1.513 17918 9121 1 15 . 1 1 10 10 LEU N N 13 126.276 126.276 121.242 5.034 17918 9122 1 15 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.913 -1.007 17918 9123 1 15 . 1 1 10 10 LEU C C 13 174.163 174.163 174.087 0.076 17918 9124 1 15 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.531 3.172 17918 9125 1 15 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.262 -0.695 17918 9126 1 15 . 1 1 10 10 LEU H H 13 8.866 8.866 9.215 -0.349 17918 9127 1 15 . 1 1 11 11 LEU N N 14 127.134 127.134 126.935 0.199 17918 9128 1 15 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.156 -0.418 17918 9129 1 15 . 1 1 11 11 LEU C C 14 175.626 175.626 174.797 0.829 17918 9130 1 15 . 1 1 11 11 LEU CA C 14 53.603 53.603 52.671 0.932 17918 9131 1 15 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.349 0.346 17918 9132 1 15 . 1 1 11 11 LEU H H 14 7.762 7.762 8.366 -0.604 17918 9133 1 15 . 1 1 12 12 VAL N N 15 129.450 129.450 128.073 1.377 17918 9134 1 15 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.570 -0.160 17918 9135 1 15 . 1 1 12 12 VAL C C 15 177.055 177.055 174.702 2.353 17918 9136 1 15 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.513 1.329 17918 9137 1 15 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.277 0.112 17918 9138 1 15 . 1 1 12 12 VAL H H 15 9.667 9.667 8.927 0.740 17918 9139 1 15 . 1 1 13 13 LYS N N 16 127.188 127.188 128.138 -0.950 17918 9140 1 15 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.450 0.032 17918 9141 1 15 . 1 1 13 13 LYS C C 16 176.034 176.034 175.375 0.659 17918 9142 1 15 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.165 3.001 17918 9143 1 15 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.144 4.651 17918 9144 1 15 . 1 1 13 13 LYS H H 16 9.138 9.138 9.683 -0.545 17918 9145 1 15 . 1 1 14 14 PHE N N 17 117.138 117.138 121.639 -4.501 17918 9146 1 15 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.080 0.174 17918 9147 1 15 . 1 1 14 14 PHE C C 17 176.588 176.588 176.768 -0.180 17918 9148 1 15 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.295 2.293 17918 9149 1 15 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.735 0.624 17918 9150 1 15 . 1 1 14 14 PHE H H 17 8.617 8.617 7.807 0.810 17918 9151 1 15 . 1 1 15 15 SER N N 18 120.047 120.047 116.437 3.610 17918 9152 1 15 . 1 1 15 15 SER HA H 18 4.019 4.019 4.177 -0.158 17918 9153 1 15 . 1 1 15 15 SER C C 18 180.099 180.099 176.121 3.978 17918 9154 1 15 . 1 1 15 15 SER CA C 18 62.865 62.865 61.955 0.910 17918 9155 1 15 . 1 1 15 15 SER CB C 18 64.300 64.300 63.303 0.997 17918 9156 1 15 . 1 1 15 15 SER H H 18 9.437 9.437 9.137 0.300 17918 9157 1 15 . 1 1 16 16 GLY C C 19 175.458 175.458 174.422 1.036 17918 9158 1 15 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.752 1.030 17918 9159 1 15 . 1 1 17 17 SER N N 20 120.550 120.550 114.963 5.587 17918 9160 1 15 . 1 1 17 17 SER HA H 20 3.839 3.839 4.058 -0.219 17918 9161 1 15 . 1 1 17 17 SER C C 20 174.702 174.702 175.086 -0.384 17918 9162 1 15 . 1 1 17 17 SER CA C 20 62.099 62.099 57.911 4.188 17918 9163 1 15 . 1 1 17 17 SER CB C 20 65.081 65.081 64.475 0.606 17918 9164 1 15 . 1 1 17 17 SER H H 20 7.236 7.236 7.505 -0.269 17918 9165 1 15 . 1 1 18 18 ARG N N 21 123.998 123.998 118.976 5.022 17918 9166 1 15 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.170 -0.107 17918 9167 1 15 . 1 1 18 18 ARG C C 21 177.005 177.005 175.619 1.386 17918 9168 1 15 . 1 1 18 18 ARG CA C 21 59.595 59.595 57.267 2.328 17918 9169 1 15 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.544 -0.438 17918 9170 1 15 . 1 1 18 18 ARG H H 21 8.544 8.544 8.188 0.356 17918 9171 1 15 . 1 1 19 19 ASN N N 22 116.403 116.403 115.228 1.175 17918 9172 1 15 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.970 0.294 17918 9173 1 15 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.701 0.119 17918 9174 1 15 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.291 1.205 17918 9175 1 15 . 1 1 19 19 ASN H H 22 8.412 8.412 7.898 0.514 17918 9176 1 15 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.677 -0.339 17918 9177 1 15 . 1 1 20 20 PRO C C 23 176.381 176.381 175.327 1.054 17918 9178 1 15 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.431 2.133 17918 9179 1 15 . 1 1 20 20 PRO CB C 23 29.310 29.310 29.915 -0.605 17918 9180 1 15 . 1 1 21 21 VAL N N 24 126.905 126.905 117.615 9.290 17918 9181 1 15 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.501 -0.153 17918 9182 1 15 . 1 1 21 21 VAL C C 24 176.393 176.393 173.558 2.835 17918 9183 1 15 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.822 3.017 17918 9184 1 15 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.358 0.628 17918 9185 1 15 . 1 1 21 21 VAL H H 24 8.810 8.810 7.581 1.229 17918 9186 1 15 . 1 1 22 22 SER N N 25 121.164 121.164 117.950 3.214 17918 9187 1 15 . 1 1 22 22 SER HA H 25 4.296 4.296 5.028 -0.732 17918 9188 1 15 . 1 1 22 22 SER C C 25 178.264 178.264 175.087 3.177 17918 9189 1 15 . 1 1 22 22 SER CA C 25 59.682 59.682 55.749 3.933 17918 9190 1 15 . 1 1 22 22 SER CB C 25 64.553 64.553 65.474 -0.921 17918 9191 1 15 . 1 1 22 22 SER H H 25 8.657 8.657 8.036 0.621 17918 9192 1 15 . 1 1 23 23 ARG N N 26 129.578 129.578 125.309 4.269 17918 9193 1 15 . 1 1 23 23 ARG HA H 26 4.344 4.344 4.105 0.239 17918 9194 1 15 . 1 1 23 23 ARG C C 26 176.541 176.541 177.546 -1.005 17918 9195 1 15 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.172 1.088 17918 9196 1 15 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.589 0.293 17918 9197 1 15 . 1 1 23 23 ARG H H 26 8.837 8.837 9.473 -0.636 17918 9198 1 15 . 1 1 24 24 ARG N N 27 119.514 119.514 116.977 2.537 17918 9199 1 15 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.235 -0.445 17918 9200 1 15 . 1 1 24 24 ARG C C 27 177.905 177.905 177.702 0.203 17918 9201 1 15 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.332 0.484 17918 9202 1 15 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.742 2.322 17918 9203 1 15 . 1 1 24 24 ARG H H 27 7.439 7.439 7.795 -0.356 17918 9204 1 15 . 1 1 25 25 THR N N 28 127.221 127.221 107.235 19.986 17918 9205 1 15 . 1 1 25 25 THR HA H 28 4.258 4.258 4.533 -0.275 17918 9206 1 15 . 1 1 25 25 THR C C 28 177.078 177.078 176.149 0.929 17918 9207 1 15 . 1 1 25 25 THR CA C 28 62.291 62.291 62.068 0.223 17918 9208 1 15 . 1 1 25 25 THR CB C 28 71.224 71.224 71.630 -0.406 17918 9209 1 15 . 1 1 25 25 THR H H 28 7.088 7.088 7.569 -0.481 17918 9210 1 15 . 1 1 26 26 GLY N N 29 110.483 110.483 112.284 -1.801 17918 9211 1 15 . 1 1 26 26 GLY C C 29 174.471 174.471 173.563 0.908 17918 9212 1 15 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.750 0.719 17918 9213 1 15 . 1 1 26 26 GLY H H 29 7.678 7.678 8.745 -1.067 17918 9214 1 15 . 1 1 27 27 ASP N N 30 120.302 120.302 119.334 0.968 17918 9215 1 15 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.824 -0.061 17918 9216 1 15 . 1 1 27 27 ASP C C 30 177.147 177.147 174.817 2.330 17918 9217 1 15 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.203 0.560 17918 9218 1 15 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.220 0.730 17918 9219 1 15 . 1 1 27 27 ASP H H 30 8.128 8.128 8.208 -0.080 17918 9220 1 15 . 1 1 28 28 SER N N 31 113.726 113.726 112.654 1.072 17918 9221 1 15 . 1 1 28 28 SER HA H 31 4.629 4.629 4.971 -0.342 17918 9222 1 15 . 1 1 28 28 SER C C 31 178.127 178.127 173.292 4.835 17918 9223 1 15 . 1 1 28 28 SER CA C 31 58.869 58.869 57.513 1.356 17918 9224 1 15 . 1 1 28 28 SER CB C 31 64.796 64.796 66.795 -1.999 17918 9225 1 15 . 1 1 28 28 SER H H 31 8.633 8.633 7.457 1.176 17918 9226 1 15 . 1 1 29 29 THR N N 32 120.655 120.655 115.958 4.697 17918 9227 1 15 . 1 1 29 29 THR HA H 32 4.589 4.589 4.671 -0.083 17918 9228 1 15 . 1 1 29 29 THR C C 32 176.368 176.368 173.744 2.624 17918 9229 1 15 . 1 1 29 29 THR CA C 32 62.892 62.892 62.607 0.285 17918 9230 1 15 . 1 1 29 29 THR CB C 32 69.624 69.624 68.982 0.642 17918 9231 1 15 . 1 1 29 29 THR H H 32 8.397 8.397 8.462 -0.065 17918 9232 1 15 . 1 1 30 30 ALA N N 33 124.923 124.923 124.571 0.352 17918 9233 1 15 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.356 -0.561 17918 9234 1 15 . 1 1 30 30 ALA C C 33 177.708 177.708 177.457 0.251 17918 9235 1 15 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.970 2.858 17918 9236 1 15 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.513 1.336 17918 9237 1 15 . 1 1 30 30 ALA H H 33 8.251 8.251 8.411 -0.160 17918 9238 1 15 . 1 1 31 31 ASP N N 34 114.016 114.016 117.591 -3.575 17918 9239 1 15 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.576 0.155 17918 9240 1 15 . 1 1 31 31 ASP C C 34 176.973 176.973 175.489 1.484 17918 9241 1 15 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.290 0.291 17918 9242 1 15 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.290 0.610 17918 9243 1 15 . 1 1 31 31 ASP H H 34 8.398 8.398 8.113 0.285 17918 9244 1 15 . 1 1 32 32 VAL N N 35 123.637 123.637 120.800 2.837 17918 9245 1 15 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.441 -0.181 17918 9246 1 15 . 1 1 32 32 VAL C C 35 177.725 177.725 174.789 2.936 17918 9247 1 15 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.544 2.948 17918 9248 1 15 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.342 0.415 17918 9249 1 15 . 1 1 32 32 VAL H H 35 7.323 7.323 7.372 -0.049 17918 9250 1 15 . 1 1 33 33 THR N N 36 121.552 121.552 118.760 2.792 17918 9251 1 15 . 1 1 33 33 THR HA H 36 4.642 4.642 4.777 -0.135 17918 9252 1 15 . 1 1 33 33 THR C C 36 176.268 176.268 175.094 1.174 17918 9253 1 15 . 1 1 33 33 THR CA C 36 62.597 62.597 59.522 3.075 17918 9254 1 15 . 1 1 33 33 THR CB C 36 72.388 72.388 70.735 1.653 17918 9255 1 15 . 1 1 33 33 THR H H 36 9.078 9.078 8.287 0.791 17918 9256 1 15 . 1 1 34 34 TYR N N 37 122.486 122.486 119.435 3.051 17918 9257 1 15 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.583 -0.149 17918 9258 1 15 . 1 1 34 34 TYR C C 37 177.216 177.216 177.223 -0.007 17918 9259 1 15 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.590 2.451 17918 9260 1 15 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.241 3.253 17918 9261 1 15 . 1 1 34 34 TYR H H 37 9.247 9.247 8.632 0.615 17918 9262 1 15 . 1 1 35 35 GLU N N 38 116.626 116.626 119.761 -3.135 17918 9263 1 15 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.626 0.053 17918 9264 1 15 . 1 1 35 35 GLU C C 38 180.453 180.453 178.950 1.503 17918 9265 1 15 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.535 1.909 17918 9266 1 15 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.771 1.388 17918 9267 1 15 . 1 1 35 35 GLU H H 38 8.782 8.782 7.820 0.962 17918 9268 1 15 . 1 1 36 36 ASP N N 39 120.670 120.670 120.158 0.512 17918 9269 1 15 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.281 0.091 17918 9270 1 15 . 1 1 36 36 ASP C C 39 180.015 180.015 178.506 1.509 17918 9271 1 15 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.310 0.909 17918 9272 1 15 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.516 0.718 17918 9273 1 15 . 1 1 36 36 ASP H H 39 7.916 7.916 7.892 0.024 17918 9274 1 15 . 1 1 37 37 ALA N N 40 126.126 126.126 122.794 3.332 17918 9275 1 15 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.134 -0.294 17918 9276 1 15 . 1 1 37 37 ALA C C 40 179.923 179.923 179.395 0.528 17918 9277 1 15 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.045 1.300 17918 9278 1 15 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.814 1.039 17918 9279 1 15 . 1 1 37 37 ALA H H 40 8.318 8.318 8.253 0.065 17918 9280 1 15 . 1 1 38 38 ILE N N 41 118.850 118.850 119.507 -0.657 17918 9281 1 15 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.569 -0.101 17918 9282 1 15 . 1 1 38 38 ILE C C 41 179.106 179.106 177.809 1.297 17918 9283 1 15 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.229 -0.850 17918 9284 1 15 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.839 -0.548 17918 9285 1 15 . 1 1 38 38 ILE H H 41 8.151 8.151 8.396 -0.245 17918 9286 1 15 . 1 1 39 39 LYS N N 42 120.585 120.585 119.376 1.209 17918 9287 1 15 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.861 0.123 17918 9288 1 15 . 1 1 39 39 LYS C C 42 180.883 180.883 178.309 2.574 17918 9289 1 15 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.998 0.887 17918 9290 1 15 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.087 1.454 17918 9291 1 15 . 1 1 39 39 LYS H H 42 7.519 7.519 8.311 -0.792 17918 9292 1 15 . 1 1 40 40 GLU N N 43 121.167 121.167 120.059 1.108 17918 9293 1 15 . 1 1 40 40 GLU HA H 43 4.316 4.316 3.952 0.364 17918 9294 1 15 . 1 1 40 40 GLU C C 43 179.969 179.969 178.819 1.150 17918 9295 1 15 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.195 0.811 17918 9296 1 15 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.359 1.382 17918 9297 1 15 . 1 1 40 40 GLU H H 43 7.911 7.911 7.633 0.278 17918 9298 1 15 . 1 1 41 41 LEU N N 44 121.081 121.081 120.967 0.114 17918 9299 1 15 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.251 -0.060 17918 9300 1 15 . 1 1 41 41 LEU C C 44 180.778 180.778 179.747 1.031 17918 9301 1 15 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.399 0.534 17918 9302 1 15 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.561 1.324 17918 9303 1 15 . 1 1 41 41 LEU H H 44 8.424 8.424 8.272 0.152 17918 9304 1 15 . 1 1 42 42 GLN N N 45 121.129 121.129 119.251 1.878 17918 9305 1 15 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.115 -0.086 17918 9306 1 15 . 1 1 42 42 GLN C C 45 179.911 179.911 178.822 1.089 17918 9307 1 15 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.469 1.890 17918 9308 1 15 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.268 0.754 17918 9309 1 15 . 1 1 42 42 GLN H H 45 8.971 8.971 8.450 0.520 17918 9310 1 15 . 1 1 43 43 LYS N N 46 121.830 121.830 120.703 1.127 17918 9311 1 15 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.979 0.028 17918 9312 1 15 . 1 1 43 43 LYS C C 46 180.898 180.898 178.735 2.163 17918 9313 1 15 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.610 1.034 17918 9314 1 15 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.178 0.286 17918 9315 1 15 . 1 1 43 43 LYS H H 46 7.769 7.769 7.407 0.362 17918 9316 1 15 . 1 1 44 44 TRP N N 47 119.737 119.737 121.309 -1.572 17918 9317 1 15 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.154 -0.198 17918 9318 1 15 . 1 1 44 44 TRP C C 47 179.173 179.173 178.268 0.905 17918 9319 1 15 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.344 2.702 17918 9320 1 15 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.558 0.057 17918 9321 1 15 . 1 1 44 44 TRP H H 47 8.002 8.002 8.418 -0.416 17918 9322 1 15 . 1 1 45 45 SER N N 48 114.940 114.940 113.153 1.787 17918 9323 1 15 . 1 1 45 45 SER HA H 48 4.072 4.072 4.040 0.032 17918 9324 1 15 . 1 1 45 45 SER C C 48 178.249 178.249 176.801 1.448 17918 9325 1 15 . 1 1 45 45 SER CA C 48 63.707 63.707 61.895 1.812 17918 9326 1 15 . 1 1 45 45 SER H H 48 8.901 8.901 8.687 0.214 17918 9327 1 15 . 1 1 46 46 GLN N N 49 121.411 121.411 122.814 -1.403 17918 9328 1 15 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.080 0.117 17918 9329 1 15 . 1 1 46 46 GLN C C 49 179.809 179.809 178.042 1.767 17918 9330 1 15 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.942 0.917 17918 9331 1 15 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.709 0.484 17918 9332 1 15 . 1 1 46 46 GLN H H 49 7.950 7.950 7.552 0.398 17918 9333 1 15 . 1 1 47 47 ARG N N 50 121.809 121.809 120.204 1.605 17918 9334 1 15 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.122 -0.071 17918 9335 1 15 . 1 1 47 47 ARG C C 50 179.464 179.464 179.316 0.148 17918 9336 1 15 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.693 1.354 17918 9337 1 15 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.450 1.543 17918 9338 1 15 . 1 1 47 47 ARG H H 50 7.834 7.834 8.335 -0.501 17918 9339 1 15 . 1 1 48 48 ILE N N 51 120.569 120.569 118.337 2.232 17918 9340 1 15 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.246 0.242 17918 9341 1 15 . 1 1 48 48 ILE C C 51 181.848 181.848 178.192 3.656 17918 9342 1 15 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.607 -0.044 17918 9343 1 15 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.952 2.741 17918 9344 1 15 . 1 1 48 48 ILE H H 51 8.127 8.127 8.700 -0.573 17918 9345 1 15 . 1 1 49 49 ALA N N 52 124.538 124.538 121.597 2.941 17918 9346 1 15 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.138 0.071 17918 9347 1 15 . 1 1 49 49 ALA C C 52 181.120 181.120 178.545 2.575 17918 9348 1 15 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.159 2.260 17918 9349 1 15 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.068 0.348 17918 9350 1 15 . 1 1 49 49 ALA H H 52 8.526 8.526 7.587 0.939 17918 9351 1 15 . 1 1 50 50 SER N N 53 111.097 111.097 114.103 -3.006 17918 9352 1 15 . 1 1 50 50 SER HA H 53 4.428 4.428 4.265 0.163 17918 9353 1 15 . 1 1 50 50 SER C C 53 176.608 176.608 176.292 0.316 17918 9354 1 15 . 1 1 50 50 SER CA C 53 60.248 60.248 59.902 0.346 17918 9355 1 15 . 1 1 50 50 SER CB C 53 65.098 65.098 64.684 0.414 17918 9356 1 15 . 1 1 50 50 SER H H 53 8.124 8.124 8.174 -0.050 17918 9357 1 15 . 1 1 51 51 GLY N N 54 110.581 110.581 108.532 2.049 17918 9358 1 15 . 1 1 51 51 GLY C C 54 175.699 175.699 174.733 0.966 17918 9359 1 15 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.793 1.638 17918 9360 1 15 . 1 1 51 51 GLY H H 54 7.904 7.904 8.347 -0.443 17918 9361 1 15 . 1 1 52 52 GLU N N 55 122.231 122.231 120.689 1.542 17918 9362 1 15 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.122 -0.119 17918 9363 1 15 . 1 1 52 52 GLU C C 55 177.647 177.647 176.689 0.958 17918 9364 1 15 . 1 1 52 52 GLU CA C 55 60.088 60.088 59.010 1.078 17918 9365 1 15 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.273 1.351 17918 9366 1 15 . 1 1 52 52 GLU H H 55 8.204 8.204 7.909 0.295 17918 9367 1 15 . 1 1 53 53 VAL N N 56 111.615 111.615 111.198 0.417 17918 9368 1 15 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.588 -0.009 17918 9369 1 15 . 1 1 53 53 VAL C C 56 175.225 175.225 174.330 0.895 17918 9370 1 15 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.920 -0.236 17918 9371 1 15 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.820 0.713 17918 9372 1 15 . 1 1 53 53 VAL H H 56 7.274 7.274 7.468 -0.194 17918 9373 1 15 . 1 1 54 54 SER N N 57 119.532 119.532 113.496 6.036 17918 9374 1 15 . 1 1 54 54 SER HA H 57 4.692 4.692 4.803 -0.111 17918 9375 1 15 . 1 1 54 54 SER C C 57 176.092 176.092 175.362 0.730 17918 9376 1 15 . 1 1 54 54 SER CA C 57 58.189 58.189 56.300 1.889 17918 9377 1 15 . 1 1 54 54 SER CB C 57 66.447 66.447 65.438 1.009 17918 9378 1 15 . 1 1 54 54 SER H H 57 8.637 8.637 8.195 0.442 17918 9379 1 15 . 1 1 55 55 PHE N N 58 123.609 123.609 123.150 0.459 17918 9380 1 15 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.144 -0.490 17918 9381 1 15 . 1 1 55 55 PHE C C 58 177.469 177.469 176.714 0.755 17918 9382 1 15 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.176 2.681 17918 9383 1 15 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.603 2.363 17918 9384 1 15 . 1 1 55 55 PHE H H 58 9.326 9.326 9.128 0.198 17918 9385 1 15 . 1 1 56 56 GLU N N 59 116.994 116.994 119.167 -2.173 17918 9386 1 15 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.277 -0.072 17918 9387 1 15 . 1 1 56 56 GLU C C 59 180.852 180.852 179.422 1.430 17918 9388 1 15 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.251 1.116 17918 9389 1 15 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.912 0.918 17918 9390 1 15 . 1 1 56 56 GLU H H 59 9.464 9.464 8.922 0.542 17918 9391 1 15 . 1 1 57 57 GLU N N 60 122.452 122.452 119.005 3.447 17918 9392 1 15 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.005 0.018 17918 9393 1 15 . 1 1 57 57 GLU C C 60 179.899 179.899 178.708 1.191 17918 9394 1 15 . 1 1 57 57 GLU CA C 60 60.013 60.013 59.014 0.999 17918 9395 1 15 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.184 2.001 17918 9396 1 15 . 1 1 57 57 GLU H H 60 7.978 7.978 7.584 0.394 17918 9397 1 15 . 1 1 58 58 ALA N N 61 123.053 123.053 121.918 1.135 17918 9398 1 15 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.121 0.460 17918 9399 1 15 . 1 1 58 58 ALA C C 61 179.854 179.854 178.945 0.909 17918 9400 1 15 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.569 1.312 17918 9401 1 15 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.518 2.542 17918 9402 1 15 . 1 1 58 58 ALA H H 61 8.157 8.157 7.425 0.732 17918 9403 1 15 . 1 1 59 59 ALA N N 62 120.029 120.029 120.732 -0.703 17918 9404 1 15 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.947 -0.395 17918 9405 1 15 . 1 1 59 59 ALA C C 62 181.080 181.080 180.111 0.969 17918 9406 1 15 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.046 1.372 17918 9407 1 15 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.468 -0.426 17918 9408 1 15 . 1 1 59 59 ALA H H 62 8.540 8.540 8.654 -0.114 17918 9409 1 15 . 1 1 60 60 SER N N 63 113.010 113.010 112.375 0.635 17918 9410 1 15 . 1 1 60 60 SER HA H 63 4.766 4.766 4.413 0.353 17918 9411 1 15 . 1 1 60 60 SER C C 63 176.299 176.299 175.804 0.495 17918 9412 1 15 . 1 1 60 60 SER CA C 63 62.414 62.414 61.423 0.991 17918 9413 1 15 . 1 1 60 60 SER CB C 63 64.687 64.687 63.397 1.290 17918 9414 1 15 . 1 1 60 60 SER H H 63 8.013 8.013 7.827 0.186 17918 9415 1 15 . 1 1 61 61 GLN N N 64 115.830 115.830 117.056 -1.226 17918 9416 1 15 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.296 -0.166 17918 9417 1 15 . 1 1 61 61 GLN C C 64 178.579 178.579 177.212 1.367 17918 9418 1 15 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.797 0.569 17918 9419 1 15 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.457 1.919 17918 9420 1 15 . 1 1 61 61 GLN H H 64 7.496 7.496 7.480 0.016 17918 9421 1 15 . 1 1 62 62 ARG N N 65 115.716 115.716 116.989 -1.273 17918 9422 1 15 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.489 -0.028 17918 9423 1 15 . 1 1 62 62 ARG C C 65 176.601 176.601 176.879 -0.278 17918 9424 1 15 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.057 -2.426 17918 9425 1 15 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.922 1.734 17918 9426 1 15 . 1 1 62 62 ARG H H 65 7.693 7.693 8.352 -0.659 17918 9427 1 15 . 1 1 63 63 SER N N 66 114.680 114.680 116.299 -1.619 17918 9428 1 15 . 1 1 63 63 SER HA H 66 4.222 4.222 4.557 -0.335 17918 9429 1 15 . 1 1 63 63 SER C C 66 177.034 177.034 175.146 1.888 17918 9430 1 15 . 1 1 63 63 SER CA C 66 59.677 59.677 59.510 0.167 17918 9431 1 15 . 1 1 63 63 SER CB C 66 65.786 65.786 63.382 2.404 17918 9432 1 15 . 1 1 63 63 SER H H 66 8.528 8.528 7.794 0.734 17918 9433 1 15 . 1 1 64 64 ASP N N 67 123.612 123.612 126.713 -3.101 17918 9434 1 15 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.482 0.417 17918 9435 1 15 . 1 1 64 64 ASP C C 67 176.674 176.674 176.184 0.490 17918 9436 1 15 . 1 1 64 64 ASP CA C 67 55.991 55.991 55.893 0.098 17918 9437 1 15 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.763 2.894 17918 9438 1 15 . 1 1 64 64 ASP H H 67 9.645 9.645 8.754 0.891 17918 9439 1 15 . 1 1 65 65 CYS N N 68 124.716 124.716 118.647 6.069 17918 9440 1 15 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.670 -0.225 17918 9441 1 15 . 1 1 65 65 CYS C C 68 177.747 177.747 176.759 0.988 17918 9442 1 15 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.683 1.435 17918 9443 1 15 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.837 0.622 17918 9444 1 15 . 1 1 65 65 CYS H H 68 7.903 7.903 7.391 0.512 17918 9445 1 15 . 1 1 66 66 GLY N N 69 118.503 118.503 112.403 6.100 17918 9446 1 15 . 1 1 66 66 GLY C C 69 175.872 175.872 175.543 0.329 17918 9447 1 15 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.846 1.096 17918 9448 1 15 . 1 1 66 66 GLY H H 69 8.811 8.811 9.115 -0.304 17918 9449 1 15 . 1 1 67 67 SER N N 70 120.316 120.316 117.449 2.867 17918 9450 1 15 . 1 1 67 67 SER HA H 70 4.245 4.245 4.023 0.222 17918 9451 1 15 . 1 1 67 67 SER C C 70 178.404 178.404 176.038 2.366 17918 9452 1 15 . 1 1 67 67 SER CA C 70 61.611 61.611 60.502 1.109 17918 9453 1 15 . 1 1 67 67 SER CB C 70 64.297 64.297 62.569 1.728 17918 9454 1 15 . 1 1 67 67 SER H H 70 9.556 9.556 8.043 1.513 17918 9455 1 15 . 1 1 68 68 TYR N N 71 129.376 129.376 121.725 7.651 17918 9456 1 15 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.358 -0.327 17918 9457 1 15 . 1 1 68 68 TYR C C 71 177.613 177.613 177.513 0.100 17918 9458 1 15 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.450 2.942 17918 9459 1 15 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.929 -0.132 17918 9460 1 15 . 1 1 68 68 TYR H H 71 8.584 8.584 8.469 0.115 17918 9461 1 15 . 1 1 69 69 ALA N N 72 122.673 122.673 120.636 2.037 17918 9462 1 15 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.972 -0.327 17918 9463 1 15 . 1 1 69 69 ALA C C 72 179.011 179.011 178.185 0.826 17918 9464 1 15 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.465 0.826 17918 9465 1 15 . 1 1 69 69 ALA CB C 72 19.121 19.121 17.960 1.161 17918 9466 1 15 . 1 1 69 69 ALA H H 72 5.645 5.645 7.172 -1.527 17918 9467 1 15 . 1 1 70 70 SER N N 73 114.496 114.496 113.238 1.258 17918 9468 1 15 . 1 1 70 70 SER HA H 73 4.782 4.782 4.399 0.383 17918 9469 1 15 . 1 1 70 70 SER C C 73 177.320 177.320 175.135 2.185 17918 9470 1 15 . 1 1 70 70 SER CA C 73 57.287 57.287 58.265 -0.978 17918 9471 1 15 . 1 1 70 70 SER CB C 73 64.538 64.538 63.938 0.600 17918 9472 1 15 . 1 1 70 70 SER H H 73 7.654 7.654 7.499 0.155 17918 9473 1 15 . 1 1 71 71 GLY N N 74 112.182 112.182 109.771 2.411 17918 9474 1 15 . 1 1 71 71 GLY C C 74 174.379 174.379 174.012 0.367 17918 9475 1 15 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.900 3.534 17918 9476 1 15 . 1 1 71 71 GLY H H 74 7.933 7.933 7.650 0.283 17918 9477 1 15 . 1 1 72 72 GLY N N 75 126.463 126.463 108.089 18.374 17918 9478 1 15 . 1 1 72 72 GLY C C 75 175.121 175.121 171.903 3.218 17918 9479 1 15 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.302 0.770 17918 9480 1 15 . 1 1 72 72 GLY H H 75 7.994 7.994 8.487 -0.493 17918 9481 1 15 . 1 1 73 73 ASP N N 76 118.815 118.815 120.370 -1.555 17918 9482 1 15 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.502 -0.088 17918 9483 1 15 . 1 1 73 73 ASP C C 76 177.362 177.362 174.319 3.043 17918 9484 1 15 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.425 2.698 17918 9485 1 15 . 1 1 73 73 ASP CB C 76 42.451 42.451 43.257 -0.806 17918 9486 1 15 . 1 1 73 73 ASP H H 76 6.956 6.956 7.584 -0.628 17918 9487 1 15 . 1 1 74 74 LEU N N 77 128.720 128.720 122.628 6.092 17918 9488 1 15 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.459 -0.104 17918 9489 1 15 . 1 1 74 74 LEU C C 77 179.412 179.412 177.335 2.077 17918 9490 1 15 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.523 2.611 17918 9491 1 15 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.324 1.518 17918 9492 1 15 . 1 1 74 74 LEU H H 77 8.694 8.694 8.106 0.588 17918 9493 1 15 . 1 1 75 75 GLY N N 78 109.695 109.695 107.807 1.888 17918 9494 1 15 . 1 1 75 75 GLY C C 78 173.473 173.473 174.918 -1.445 17918 9495 1 15 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.222 0.124 17918 9496 1 15 . 1 1 75 75 GLY H H 78 8.682 8.682 7.776 0.906 17918 9497 1 15 . 1 1 76 76 PHE N N 79 115.646 115.646 115.114 0.532 17918 9498 1 15 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.442 0.777 17918 9499 1 15 . 1 1 76 76 PHE C C 79 178.904 178.904 175.314 3.590 17918 9500 1 15 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.673 -0.217 17918 9501 1 15 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.129 3.688 17918 9502 1 15 . 1 1 76 76 PHE H H 79 8.203 8.203 7.628 0.575 17918 9503 1 15 . 1 1 77 77 PHE N N 80 119.508 119.508 117.601 1.907 17918 9504 1 15 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.076 0.061 17918 9505 1 15 . 1 1 77 77 PHE C C 80 174.331 174.331 173.855 0.476 17918 9506 1 15 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.178 0.718 17918 9507 1 15 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.180 1.283 17918 9508 1 15 . 1 1 77 77 PHE H H 80 9.112 9.112 9.040 0.072 17918 9509 1 15 . 1 1 78 78 SER N N 81 116.578 116.578 115.490 1.088 17918 9510 1 15 . 1 1 78 78 SER HA H 81 4.957 4.957 4.609 0.348 17918 9511 1 15 . 1 1 78 78 SER C C 81 176.191 176.191 175.486 0.705 17918 9512 1 15 . 1 1 78 78 SER CA C 81 58.065 58.065 58.326 -0.261 17918 9513 1 15 . 1 1 78 78 SER CB C 81 66.514 66.514 64.092 2.422 17918 9514 1 15 . 1 1 78 78 SER H H 81 8.930 8.930 9.163 -0.233 17918 9515 1 15 . 1 1 79 79 SER N N 82 118.715 118.715 116.258 2.457 17918 9516 1 15 . 1 1 79 79 SER HA H 82 4.420 4.420 4.199 0.221 17918 9517 1 15 . 1 1 79 79 SER C C 82 176.946 176.946 175.431 1.515 17918 9518 1 15 . 1 1 79 79 SER CA C 82 60.988 60.988 60.123 0.865 17918 9519 1 15 . 1 1 79 79 SER CB C 82 64.242 64.242 62.956 1.286 17918 9520 1 15 . 1 1 79 79 SER H H 82 8.751 8.751 8.494 0.257 17918 9521 1 15 . 1 1 80 80 GLY N N 83 117.069 117.069 108.682 8.387 17918 9522 1 15 . 1 1 80 80 GLY C C 83 175.628 175.628 173.436 2.192 17918 9523 1 15 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.737 1.895 17918 9524 1 15 . 1 1 80 80 GLY H H 83 10.009 10.009 8.191 1.818 17918 9525 1 15 . 1 1 81 81 GLU N N 84 120.322 120.322 123.323 -3.001 17918 9526 1 15 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.481 -0.250 17918 9527 1 15 . 1 1 81 81 GLU C C 84 178.456 178.456 175.990 2.466 17918 9528 1 15 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.417 3.310 17918 9529 1 15 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.592 2.129 17918 9530 1 15 . 1 1 81 81 GLU H H 84 7.812 7.812 8.649 -0.837 17918 9531 1 15 . 1 1 82 82 MET N N 85 117.156 117.156 115.744 1.412 17918 9532 1 15 . 1 1 82 82 MET HA H 85 4.569 4.569 4.620 -0.051 17918 9533 1 15 . 1 1 82 82 MET C C 85 176.991 176.991 175.222 1.769 17918 9534 1 15 . 1 1 82 82 MET CA C 85 53.174 53.174 53.743 -0.569 17918 9535 1 15 . 1 1 82 82 MET CB C 85 34.386 34.386 33.823 0.563 17918 9536 1 15 . 1 1 82 82 MET H H 85 8.601 8.601 7.500 1.101 17918 9537 1 15 . 1 1 83 83 MET N N 86 119.413 119.413 119.887 -0.474 17918 9538 1 15 . 1 1 83 83 MET HA H 86 4.273 4.273 4.380 -0.107 17918 9539 1 15 . 1 1 83 83 MET C C 86 178.979 178.979 177.704 1.275 17918 9540 1 15 . 1 1 83 83 MET CA C 86 58.320 58.320 55.524 2.796 17918 9541 1 15 . 1 1 83 83 MET CB C 86 34.339 34.339 32.999 1.340 17918 9542 1 15 . 1 1 83 83 MET H H 86 8.413 8.413 8.073 0.340 17918 9543 1 15 . 1 1 84 84 LYS N N 87 126.834 126.834 124.516 2.318 17918 9544 1 15 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.204 0.536 17918 9545 1 15 . 1 1 84 84 LYS C C 87 175.267 175.267 177.001 -1.734 17918 9546 1 15 . 1 1 84 84 LYS CA C 87 62.461 62.461 60.536 1.925 17918 9547 1 15 . 1 1 84 84 LYS CB C 87 31.435 31.435 29.960 1.475 17918 9548 1 15 . 1 1 84 84 LYS H H 87 9.099 9.099 9.045 0.054 17918 9549 1 15 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.380 0.085 17918 9550 1 15 . 1 1 85 85 PRO C C 88 180.671 180.671 178.096 2.575 17918 9551 1 15 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.103 1.640 17918 9552 1 15 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.276 0.981 17918 9553 1 15 . 1 1 86 86 PHE N N 89 116.583 116.583 119.876 -3.293 17918 9554 1 15 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.156 -0.509 17918 9555 1 15 . 1 1 86 86 PHE C C 89 177.086 177.086 177.066 0.020 17918 9556 1 15 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.839 0.645 17918 9557 1 15 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.169 2.341 17918 9558 1 15 . 1 1 86 86 PHE H H 89 7.102 7.102 7.794 -0.692 17918 9559 1 15 . 1 1 87 87 GLU N N 90 120.506 120.506 119.068 1.438 17918 9560 1 15 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.980 -0.256 17918 9561 1 15 . 1 1 87 87 GLU C C 90 179.102 179.102 178.456 0.646 17918 9562 1 15 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.921 1.936 17918 9563 1 15 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.366 1.418 17918 9564 1 15 . 1 1 87 87 GLU H H 90 8.126 8.126 9.046 -0.920 17918 9565 1 15 . 1 1 88 88 ASP N N 91 118.355 118.355 119.228 -0.873 17918 9566 1 15 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.408 -0.173 17918 9567 1 15 . 1 1 88 88 ASP C C 91 180.067 180.067 178.061 2.006 17918 9568 1 15 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.355 0.949 17918 9569 1 15 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.716 0.310 17918 9570 1 15 . 1 1 88 88 ASP H H 91 9.121 9.121 7.896 1.225 17918 9571 1 15 . 1 1 89 89 ALA N N 92 121.718 121.718 121.168 0.550 17918 9572 1 15 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.104 -0.032 17918 9573 1 15 . 1 1 89 89 ALA C C 92 181.131 181.131 179.344 1.787 17918 9574 1 15 . 1 1 89 89 ALA CA C 92 55.845 55.845 55.025 0.820 17918 9575 1 15 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.261 1.838 17918 9576 1 15 . 1 1 89 89 ALA H H 92 7.154 7.154 7.500 -0.346 17918 9577 1 15 . 1 1 90 90 VAL N N 93 117.315 117.315 118.387 -1.072 17918 9578 1 15 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.662 -0.247 17918 9579 1 15 . 1 1 90 90 VAL C C 93 178.908 178.908 177.873 1.035 17918 9580 1 15 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.254 1.500 17918 9581 1 15 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.631 0.718 17918 9582 1 15 . 1 1 90 90 VAL H H 93 7.797 7.797 7.049 0.748 17918 9583 1 15 . 1 1 91 91 ARG N N 94 116.826 116.826 119.618 -2.792 17918 9584 1 15 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.211 -0.357 17918 9585 1 15 . 1 1 91 91 ARG C C 94 177.858 177.858 178.048 -0.190 17918 9586 1 15 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.513 1.953 17918 9587 1 15 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.393 1.695 17918 9588 1 15 . 1 1 91 91 ARG H H 94 8.154 8.154 7.963 0.191 17918 9589 1 15 . 1 1 92 92 ALA N N 95 118.849 118.849 122.972 -4.123 17918 9590 1 15 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.175 0.118 17918 9591 1 15 . 1 1 92 92 ALA C C 95 178.452 178.452 177.585 0.867 17918 9592 1 15 . 1 1 92 92 ALA CA C 95 53.477 53.477 54.215 -0.738 17918 9593 1 15 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.048 1.099 17918 9594 1 15 . 1 1 92 92 ALA H H 95 7.067 7.067 7.651 -0.584 17918 9595 1 15 . 1 1 93 93 LEU N N 96 120.871 120.871 113.649 7.222 17918 9596 1 15 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.693 -0.179 17918 9597 1 15 . 1 1 93 93 LEU C C 96 179.045 179.045 175.445 3.600 17918 9598 1 15 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.057 2.106 17918 9599 1 15 . 1 1 93 93 LEU CB C 96 44.932 44.932 44.231 0.701 17918 9600 1 15 . 1 1 93 93 LEU H H 96 7.396 7.396 7.403 -0.007 17918 9601 1 15 . 1 1 94 94 LYS N N 97 121.289 121.289 117.381 3.908 17918 9602 1 15 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.427 -0.019 17918 9603 1 15 . 1 1 94 94 LYS C C 97 178.629 178.629 176.738 1.891 17918 9604 1 15 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.522 1.772 17918 9605 1 15 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.043 -0.648 17918 9606 1 15 . 1 1 94 94 LYS H H 97 8.274 8.274 7.775 0.499 17918 9607 1 15 . 1 1 95 95 ILE N N 98 122.343 122.343 121.591 0.752 17918 9608 1 15 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.603 -0.538 17918 9609 1 15 . 1 1 95 95 ILE C C 98 178.406 178.406 176.964 1.442 17918 9610 1 15 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.208 3.086 17918 9611 1 15 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.271 1.891 17918 9612 1 15 . 1 1 95 95 ILE H H 98 8.396 8.396 8.422 -0.026 17918 9613 1 15 . 1 1 96 96 GLY N N 99 118.074 118.074 116.161 1.913 17918 9614 1 15 . 1 1 96 96 GLY C C 99 174.605 174.605 174.187 0.418 17918 9615 1 15 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.547 1.627 17918 9616 1 15 . 1 1 96 96 GLY H H 99 8.988 8.988 8.791 0.197 17918 9617 1 15 . 1 1 97 97 ASP N N 100 121.984 121.984 122.452 -0.468 17918 9618 1 15 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.870 -0.075 17918 9619 1 15 . 1 1 97 97 ASP C C 100 175.344 175.344 175.167 0.177 17918 9620 1 15 . 1 1 97 97 ASP CA C 100 55.037 55.037 53.965 1.072 17918 9621 1 15 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.208 1.745 17918 9622 1 15 . 1 1 97 97 ASP H H 100 7.978 7.978 8.306 -0.328 17918 9623 1 15 . 1 1 98 98 ILE N N 101 117.483 117.483 119.763 -2.280 17918 9624 1 15 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.658 0.502 17918 9625 1 15 . 1 1 98 98 ILE C C 101 178.147 178.147 175.678 2.469 17918 9626 1 15 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.062 0.274 17918 9627 1 15 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.599 -0.306 17918 9628 1 15 . 1 1 98 98 ILE H H 101 8.048 8.048 8.171 -0.123 17918 9629 1 15 . 1 1 99 99 SER N N 102 126.778 126.778 123.915 2.863 17918 9630 1 15 . 1 1 99 99 SER HA H 102 4.526 4.526 4.994 -0.468 17918 9631 1 15 . 1 1 99 99 SER C C 102 172.735 172.735 173.064 -0.329 17918 9632 1 15 . 1 1 99 99 SER CA C 102 59.441 59.441 56.117 3.324 17918 9633 1 15 . 1 1 99 99 SER CB C 102 64.572 64.572 63.464 1.108 17918 9634 1 15 . 1 1 99 99 SER H H 102 9.722 9.722 9.179 0.543 17918 9635 1 15 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.574 0.245 17918 9636 1 15 . 1 1 100 100 PRO C C 103 176.647 176.647 176.979 -0.332 17918 9637 1 15 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.563 0.564 17918 9638 1 15 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.366 1.073 17918 9639 1 15 . 1 1 101 101 ILE N N 104 120.048 120.048 118.809 1.239 17918 9640 1 15 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.190 0.117 17918 9641 1 15 . 1 1 101 101 ILE C C 104 178.021 178.021 176.535 1.486 17918 9642 1 15 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.388 2.753 17918 9643 1 15 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.823 1.147 17918 9644 1 15 . 1 1 101 101 ILE H H 104 8.199 8.199 8.249 -0.050 17918 9645 1 15 . 1 1 102 102 VAL N N 105 130.676 130.676 128.076 2.600 17918 9646 1 15 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.421 -0.064 17918 9647 1 15 . 1 1 102 102 VAL C C 105 175.118 175.118 174.703 0.415 17918 9648 1 15 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.015 0.792 17918 9649 1 15 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.879 2.504 17918 9650 1 15 . 1 1 102 102 VAL H H 105 9.285 9.285 8.874 0.411 17918 9651 1 15 . 1 1 103 103 GLN N N 106 128.464 128.464 127.635 0.829 17918 9652 1 15 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.867 0.582 17918 9653 1 15 . 1 1 103 103 GLN C C 106 176.704 176.704 175.760 0.944 17918 9654 1 15 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.349 -0.289 17918 9655 1 15 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.328 1.704 17918 9656 1 15 . 1 1 103 103 GLN H H 106 8.900 8.900 8.794 0.106 17918 9657 1 15 . 1 1 104 104 THR N N 107 116.680 116.680 119.111 -2.431 17918 9658 1 15 . 1 1 104 104 THR HA H 107 4.978 4.978 4.720 0.258 17918 9659 1 15 . 1 1 104 104 THR C C 107 177.189 177.189 174.084 3.105 17918 9660 1 15 . 1 1 104 104 THR CA C 107 61.836 61.836 60.323 1.513 17918 9661 1 15 . 1 1 104 104 THR CB C 107 73.663 73.663 70.849 2.814 17918 9662 1 15 . 1 1 104 104 THR H H 107 9.275 9.275 8.982 0.293 17918 9663 1 15 . 1 1 105 105 ASP N N 108 119.651 119.651 121.942 -2.291 17918 9664 1 15 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.486 0.092 17918 9665 1 15 . 1 1 105 105 ASP C C 108 179.034 179.034 177.134 1.900 17918 9666 1 15 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.857 1.098 17918 9667 1 15 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.671 1.345 17918 9668 1 15 . 1 1 105 105 ASP H H 108 8.945 8.945 8.884 0.061 17918 9669 1 15 . 1 1 106 106 SER N N 109 114.257 114.257 114.494 -0.237 17918 9670 1 15 . 1 1 106 106 SER HA H 109 4.642 4.642 4.370 0.272 17918 9671 1 15 . 1 1 106 106 SER C C 109 177.224 177.224 174.045 3.179 17918 9672 1 15 . 1 1 106 106 SER CA C 109 62.788 62.788 60.077 2.712 17918 9673 1 15 . 1 1 106 106 SER CB C 109 64.767 64.767 63.956 0.811 17918 9674 1 15 . 1 1 106 106 SER H H 109 8.968 8.968 8.493 0.475 17918 9675 1 15 . 1 1 107 107 GLY N N 110 111.288 111.288 106.707 4.581 17918 9676 1 15 . 1 1 107 107 GLY C C 110 169.468 169.468 172.250 -2.782 17918 9677 1 15 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.215 1.483 17918 9678 1 15 . 1 1 107 107 GLY H H 110 7.829 7.829 7.847 -0.018 17918 9679 1 15 . 1 1 108 108 LEU N N 111 122.506 122.506 121.895 0.611 17918 9680 1 15 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.288 0.083 17918 9681 1 15 . 1 1 108 108 LEU C C 111 175.948 175.948 175.681 0.267 17918 9682 1 15 . 1 1 108 108 LEU CA C 111 54.276 54.276 53.848 0.428 17918 9683 1 15 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.391 0.384 17918 9684 1 15 . 1 1 108 108 LEU H H 111 8.143 8.143 8.683 -0.540 17918 9685 1 15 . 1 1 109 109 HIS N N 112 119.518 119.518 121.038 -1.520 17918 9686 1 15 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.931 0.164 17918 9687 1 15 . 1 1 109 109 HIS C C 112 179.186 179.186 174.625 4.561 17918 9688 1 15 . 1 1 109 109 HIS CA C 112 55.380 55.380 55.100 0.280 17918 9689 1 15 . 1 1 109 109 HIS CB C 112 33.838 33.838 34.052 -0.214 17918 9690 1 15 . 1 1 109 109 HIS H H 112 9.764 9.764 9.136 0.628 17918 9691 1 15 . 1 1 110 110 ILE N N 113 113.128 113.128 119.333 -6.205 17918 9692 1 15 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.772 -0.313 17918 9693 1 15 . 1 1 110 110 ILE C C 113 176.666 176.666 174.152 2.514 17918 9694 1 15 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.000 4.437 17918 9695 1 15 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.110 2.626 17918 9696 1 15 . 1 1 110 110 ILE H H 113 8.117 8.117 8.442 -0.325 17918 9697 1 15 . 1 1 111 111 ILE N N 114 125.121 125.121 122.626 2.495 17918 9698 1 15 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.266 -0.496 17918 9699 1 15 . 1 1 111 111 ILE C C 114 173.792 173.792 174.828 -1.036 17918 9700 1 15 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.661 2.322 17918 9701 1 15 . 1 1 111 111 ILE CB C 114 43.683 43.683 41.899 1.784 17918 9702 1 15 . 1 1 111 111 ILE H H 114 8.604 8.604 8.452 0.152 17918 9703 1 15 . 1 1 112 112 LYS N N 115 127.966 127.966 122.614 5.352 17918 9704 1 15 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.361 -0.188 17918 9705 1 15 . 1 1 112 112 LYS C C 115 177.267 177.267 174.845 2.422 17918 9706 1 15 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.223 0.152 17918 9707 1 15 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.768 -0.255 17918 9708 1 15 . 1 1 112 112 LYS H H 115 9.075 9.075 9.147 -0.072 17918 9709 1 15 . 1 1 113 113 ARG N N 116 126.762 126.762 123.103 3.659 17918 9710 1 15 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.264 0.071 17918 9711 1 15 . 1 1 113 113 ARG C C 116 176.109 176.109 175.873 0.236 17918 9712 1 15 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.080 1.744 17918 9713 1 15 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.439 0.419 17918 9714 1 15 . 1 1 113 113 ARG H H 116 7.830 7.830 8.691 -0.861 17918 9715 1 15 . 1 1 114 114 LEU N N 117 128.545 128.545 127.559 0.986 17918 9716 1 15 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.648 -0.025 17918 9717 1 15 . 1 1 114 114 LEU C C 117 176.857 176.857 175.636 1.221 17918 9718 1 15 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.864 1.128 17918 9719 1 15 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.923 1.216 17918 9720 1 15 . 1 1 114 114 LEU H H 117 8.534 8.534 8.984 -0.450 17918 9721 1 16 . 1 1 2 2 SER N N 5 117.478 117.478 117.321 0.157 17918 9722 1 16 . 1 1 2 2 SER HA H 5 4.393 4.393 4.305 0.088 17918 9723 1 16 . 1 1 2 2 SER C C 5 175.466 175.466 174.911 0.555 17918 9724 1 16 . 1 1 2 2 SER CA C 5 59.622 59.622 59.610 0.012 17918 9725 1 16 . 1 1 2 2 SER CB C 5 64.896 64.896 63.251 1.645 17918 9726 1 16 . 1 1 2 2 SER H H 5 8.317 8.317 8.188 0.129 17918 9727 1 16 . 1 1 3 3 GLU N N 6 123.783 123.783 120.191 3.592 17918 9728 1 16 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.383 -0.105 17918 9729 1 16 . 1 1 3 3 GLU C C 6 177.189 177.189 175.000 2.189 17918 9730 1 16 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.186 2.605 17918 9731 1 16 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.628 0.940 17918 9732 1 16 . 1 1 3 3 GLU H H 6 8.359 8.359 7.669 0.690 17918 9733 1 16 . 1 1 4 4 LYS N N 7 122.875 122.875 116.749 6.126 17918 9734 1 16 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.147 0.367 17918 9735 1 16 . 1 1 4 4 LYS C C 7 176.557 176.557 175.049 1.508 17918 9736 1 16 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.788 0.038 17918 9737 1 16 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.307 4.086 17918 9738 1 16 . 1 1 4 4 LYS H H 7 8.193 8.193 8.290 -0.097 17918 9739 1 16 . 1 1 5 5 LEU N N 8 123.258 123.258 123.205 0.053 17918 9740 1 16 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.910 -0.516 17918 9741 1 16 . 1 1 5 5 LEU C C 8 175.699 175.699 173.983 1.716 17918 9742 1 16 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.104 1.438 17918 9743 1 16 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.771 -0.259 17918 9744 1 16 . 1 1 5 5 LEU H H 8 8.265 8.265 8.424 -0.159 17918 9745 1 16 . 1 1 6 6 ARG N N 9 117.197 117.197 119.934 -2.737 17918 9746 1 16 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.837 -0.233 17918 9747 1 16 . 1 1 6 6 ARG C C 9 175.633 175.633 173.808 1.825 17918 9748 1 16 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.420 1.755 17918 9749 1 16 . 1 1 6 6 ARG CB C 9 35.420 35.420 34.019 1.401 17918 9750 1 16 . 1 1 6 6 ARG H H 9 7.759 7.759 8.879 -1.120 17918 9751 1 16 . 1 1 7 7 ALA N N 10 126.954 126.954 127.037 -0.083 17918 9752 1 16 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.074 0.066 17918 9753 1 16 . 1 1 7 7 ALA C C 10 174.004 174.004 174.597 -0.593 17918 9754 1 16 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.499 0.368 17918 9755 1 16 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.799 2.208 17918 9756 1 16 . 1 1 7 7 ALA H H 10 7.637 7.637 8.638 -1.001 17918 9757 1 16 . 1 1 8 8 ALA N N 11 122.081 122.081 123.808 -1.727 17918 9758 1 16 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.549 1.241 17918 9759 1 16 . 1 1 8 8 ALA C C 11 177.446 177.446 175.442 2.004 17918 9760 1 16 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.158 0.118 17918 9761 1 16 . 1 1 8 8 ALA CB C 11 23.621 23.621 21.225 2.396 17918 9762 1 16 . 1 1 8 8 ALA H H 11 8.991 8.991 8.316 0.675 17918 9763 1 16 . 1 1 9 9 HIS N N 12 118.002 118.002 118.423 -0.421 17918 9764 1 16 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.478 0.651 17918 9765 1 16 . 1 1 9 9 HIS C C 12 172.689 172.689 172.812 -0.123 17918 9766 1 16 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.901 1.194 17918 9767 1 16 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.181 5.551 17918 9768 1 16 . 1 1 9 9 HIS H H 12 9.489 9.489 7.897 1.592 17918 9769 1 16 . 1 1 10 10 LEU N N 13 126.276 126.276 120.524 5.752 17918 9770 1 16 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.935 -1.029 17918 9771 1 16 . 1 1 10 10 LEU C C 13 174.163 174.163 174.261 -0.098 17918 9772 1 16 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.609 3.094 17918 9773 1 16 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.265 -0.698 17918 9774 1 16 . 1 1 10 10 LEU H H 13 8.866 8.866 9.231 -0.365 17918 9775 1 16 . 1 1 11 11 LEU N N 14 127.134 127.134 126.195 0.939 17918 9776 1 16 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.118 -0.380 17918 9777 1 16 . 1 1 11 11 LEU C C 14 175.626 175.626 174.388 1.238 17918 9778 1 16 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.144 0.459 17918 9779 1 16 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.329 1.366 17918 9780 1 16 . 1 1 11 11 LEU H H 14 7.762 7.762 8.396 -0.634 17918 9781 1 16 . 1 1 12 12 VAL N N 15 129.450 129.450 128.522 0.928 17918 9782 1 16 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.364 0.046 17918 9783 1 16 . 1 1 12 12 VAL C C 15 177.055 177.055 174.964 2.091 17918 9784 1 16 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.560 2.281 17918 9785 1 16 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.287 1.102 17918 9786 1 16 . 1 1 12 12 VAL H H 15 9.667 9.667 8.867 0.800 17918 9787 1 16 . 1 1 13 13 LYS N N 16 127.188 127.188 128.728 -1.540 17918 9788 1 16 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.422 0.060 17918 9789 1 16 . 1 1 13 13 LYS C C 16 176.034 176.034 175.014 1.020 17918 9790 1 16 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.256 2.910 17918 9791 1 16 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.093 4.701 17918 9792 1 16 . 1 1 13 13 LYS H H 16 9.138 9.138 8.558 0.580 17918 9793 1 16 . 1 1 14 14 PHE N N 17 117.138 117.138 119.961 -2.823 17918 9794 1 16 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.892 0.362 17918 9795 1 16 . 1 1 14 14 PHE C C 17 176.588 176.588 176.952 -0.364 17918 9796 1 16 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.523 2.065 17918 9797 1 16 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.096 0.263 17918 9798 1 16 . 1 1 14 14 PHE H H 17 8.617 8.617 7.653 0.964 17918 9799 1 16 . 1 1 15 15 SER N N 18 120.047 120.047 116.953 3.094 17918 9800 1 16 . 1 1 15 15 SER HA H 18 4.019 4.019 4.165 -0.146 17918 9801 1 16 . 1 1 15 15 SER C C 18 180.099 180.099 175.802 4.297 17918 9802 1 16 . 1 1 15 15 SER CA C 18 62.865 62.865 61.536 1.329 17918 9803 1 16 . 1 1 15 15 SER CB C 18 64.300 64.300 63.186 1.114 17918 9804 1 16 . 1 1 15 15 SER H H 18 9.437 9.437 8.988 0.449 17918 9805 1 16 . 1 1 16 16 GLY C C 19 175.458 175.458 174.849 0.609 17918 9806 1 16 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.575 1.207 17918 9807 1 16 . 1 1 17 17 SER N N 20 120.550 120.550 115.251 5.299 17918 9808 1 16 . 1 1 17 17 SER HA H 20 3.839 3.839 3.962 -0.123 17918 9809 1 16 . 1 1 17 17 SER C C 20 174.702 174.702 175.111 -0.409 17918 9810 1 16 . 1 1 17 17 SER CA C 20 62.099 62.099 58.099 3.999 17918 9811 1 16 . 1 1 17 17 SER CB C 20 65.081 65.081 64.431 0.650 17918 9812 1 16 . 1 1 17 17 SER H H 20 7.236 7.236 7.398 -0.162 17918 9813 1 16 . 1 1 18 18 ARG N N 21 123.998 123.998 118.453 5.545 17918 9814 1 16 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.025 0.038 17918 9815 1 16 . 1 1 18 18 ARG C C 21 177.005 177.005 176.078 0.927 17918 9816 1 16 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.297 1.298 17918 9817 1 16 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.681 -0.575 17918 9818 1 16 . 1 1 18 18 ARG H H 21 8.544 8.544 8.025 0.519 17918 9819 1 16 . 1 1 19 19 ASN N N 22 116.403 116.403 113.455 2.948 17918 9820 1 16 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.945 0.319 17918 9821 1 16 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.959 -0.139 17918 9822 1 16 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.849 0.647 17918 9823 1 16 . 1 1 19 19 ASN H H 22 8.412 8.412 7.663 0.749 17918 9824 1 16 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.696 -0.358 17918 9825 1 16 . 1 1 20 20 PRO C C 23 176.381 176.381 175.351 1.030 17918 9826 1 16 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.219 2.345 17918 9827 1 16 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.431 -1.121 17918 9828 1 16 . 1 1 21 21 VAL N N 24 126.905 126.905 117.808 9.097 17918 9829 1 16 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.430 -0.082 17918 9830 1 16 . 1 1 21 21 VAL C C 24 176.393 176.393 173.931 2.462 17918 9831 1 16 . 1 1 21 21 VAL CA C 24 62.839 62.839 60.183 2.656 17918 9832 1 16 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.814 0.172 17918 9833 1 16 . 1 1 21 21 VAL H H 24 8.810 8.810 7.541 1.269 17918 9834 1 16 . 1 1 22 22 SER N N 25 121.164 121.164 116.693 4.471 17918 9835 1 16 . 1 1 22 22 SER HA H 25 4.296 4.296 4.799 -0.503 17918 9836 1 16 . 1 1 22 22 SER C C 25 178.264 178.264 175.240 3.024 17918 9837 1 16 . 1 1 22 22 SER CA C 25 59.682 59.682 55.646 4.036 17918 9838 1 16 . 1 1 22 22 SER CB C 25 64.553 64.553 65.731 -1.178 17918 9839 1 16 . 1 1 22 22 SER H H 25 8.657 8.657 7.915 0.742 17918 9840 1 16 . 1 1 23 23 ARG N N 26 129.578 129.578 125.434 4.144 17918 9841 1 16 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.983 0.361 17918 9842 1 16 . 1 1 23 23 ARG C C 26 176.541 176.541 177.615 -1.074 17918 9843 1 16 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.430 0.830 17918 9844 1 16 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.090 0.791 17918 9845 1 16 . 1 1 23 23 ARG H H 26 8.837 8.837 8.848 -0.011 17918 9846 1 16 . 1 1 24 24 ARG N N 27 119.514 119.514 117.892 1.622 17918 9847 1 16 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.170 -0.380 17918 9848 1 16 . 1 1 24 24 ARG C C 27 177.905 177.905 177.708 0.197 17918 9849 1 16 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.661 0.155 17918 9850 1 16 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.501 2.563 17918 9851 1 16 . 1 1 24 24 ARG H H 27 7.439 7.439 7.417 0.022 17918 9852 1 16 . 1 1 25 25 THR N N 28 127.221 127.221 106.653 20.568 17918 9853 1 16 . 1 1 25 25 THR HA H 28 4.258 4.258 4.513 -0.255 17918 9854 1 16 . 1 1 25 25 THR C C 28 177.078 177.078 176.188 0.890 17918 9855 1 16 . 1 1 25 25 THR CA C 28 62.291 62.291 62.168 0.123 17918 9856 1 16 . 1 1 25 25 THR CB C 28 71.224 71.224 71.832 -0.608 17918 9857 1 16 . 1 1 25 25 THR H H 28 7.088 7.088 7.882 -0.794 17918 9858 1 16 . 1 1 26 26 GLY N N 29 110.483 110.483 112.238 -1.755 17918 9859 1 16 . 1 1 26 26 GLY C C 29 174.471 174.471 173.582 0.889 17918 9860 1 16 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.835 0.634 17918 9861 1 16 . 1 1 26 26 GLY H H 29 7.678 7.678 8.734 -1.056 17918 9862 1 16 . 1 1 27 27 ASP N N 30 120.302 120.302 119.338 0.964 17918 9863 1 16 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.859 -0.096 17918 9864 1 16 . 1 1 27 27 ASP C C 30 177.147 177.147 175.136 2.011 17918 9865 1 16 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.340 0.423 17918 9866 1 16 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.496 0.454 17918 9867 1 16 . 1 1 27 27 ASP H H 30 8.128 8.128 8.463 -0.335 17918 9868 1 16 . 1 1 28 28 SER N N 31 113.726 113.726 113.523 0.203 17918 9869 1 16 . 1 1 28 28 SER HA H 31 4.629 4.629 5.028 -0.399 17918 9870 1 16 . 1 1 28 28 SER C C 31 178.127 178.127 173.216 4.911 17918 9871 1 16 . 1 1 28 28 SER CA C 31 58.869 58.869 57.238 1.631 17918 9872 1 16 . 1 1 28 28 SER CB C 31 64.796 64.796 66.812 -2.016 17918 9873 1 16 . 1 1 28 28 SER H H 31 8.633 8.633 7.559 1.074 17918 9874 1 16 . 1 1 29 29 THR N N 32 120.655 120.655 116.827 3.828 17918 9875 1 16 . 1 1 29 29 THR HA H 32 4.589 4.589 4.659 -0.070 17918 9876 1 16 . 1 1 29 29 THR C C 32 176.368 176.368 173.433 2.935 17918 9877 1 16 . 1 1 29 29 THR CA C 32 62.892 62.892 62.044 0.848 17918 9878 1 16 . 1 1 29 29 THR CB C 32 69.624 69.624 68.860 0.764 17918 9879 1 16 . 1 1 29 29 THR H H 32 8.397 8.397 8.485 -0.088 17918 9880 1 16 . 1 1 30 30 ALA N N 33 124.923 124.923 124.627 0.296 17918 9881 1 16 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.352 -0.557 17918 9882 1 16 . 1 1 30 30 ALA C C 33 177.708 177.708 177.058 0.650 17918 9883 1 16 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.771 3.057 17918 9884 1 16 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.216 1.633 17918 9885 1 16 . 1 1 30 30 ALA H H 33 8.251 8.251 8.397 -0.146 17918 9886 1 16 . 1 1 31 31 ASP N N 34 114.016 114.016 116.420 -2.404 17918 9887 1 16 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.589 0.142 17918 9888 1 16 . 1 1 31 31 ASP C C 34 176.973 176.973 176.566 0.407 17918 9889 1 16 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.065 0.517 17918 9890 1 16 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.604 0.296 17918 9891 1 16 . 1 1 31 31 ASP H H 34 8.398 8.398 8.071 0.327 17918 9892 1 16 . 1 1 32 32 VAL N N 35 123.637 123.637 120.751 2.886 17918 9893 1 16 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.535 -0.275 17918 9894 1 16 . 1 1 32 32 VAL C C 35 177.725 177.725 174.424 3.301 17918 9895 1 16 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.205 3.287 17918 9896 1 16 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.684 0.073 17918 9897 1 16 . 1 1 32 32 VAL H H 35 7.323 7.323 7.394 -0.071 17918 9898 1 16 . 1 1 33 33 THR N N 36 121.552 121.552 119.022 2.530 17918 9899 1 16 . 1 1 33 33 THR HA H 36 4.642 4.642 4.881 -0.239 17918 9900 1 16 . 1 1 33 33 THR C C 36 176.268 176.268 175.378 0.890 17918 9901 1 16 . 1 1 33 33 THR CA C 36 62.597 62.597 59.378 3.219 17918 9902 1 16 . 1 1 33 33 THR CB C 36 72.388 72.388 71.714 0.674 17918 9903 1 16 . 1 1 33 33 THR H H 36 9.078 9.078 8.423 0.655 17918 9904 1 16 . 1 1 34 34 TYR N N 37 122.486 122.486 121.198 1.288 17918 9905 1 16 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.533 -0.099 17918 9906 1 16 . 1 1 34 34 TYR C C 37 177.216 177.216 176.057 1.159 17918 9907 1 16 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.270 1.771 17918 9908 1 16 . 1 1 34 34 TYR CB C 37 39.494 39.494 37.193 2.301 17918 9909 1 16 . 1 1 34 34 TYR H H 37 9.247 9.247 8.775 0.472 17918 9910 1 16 . 1 1 35 35 GLU N N 38 116.626 116.626 119.844 -3.218 17918 9911 1 16 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.369 0.310 17918 9912 1 16 . 1 1 35 35 GLU C C 38 180.453 180.453 178.399 2.054 17918 9913 1 16 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.138 2.307 17918 9914 1 16 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.533 1.626 17918 9915 1 16 . 1 1 35 35 GLU H H 38 8.782 8.782 7.749 1.033 17918 9916 1 16 . 1 1 36 36 ASP N N 39 120.670 120.670 120.188 0.482 17918 9917 1 16 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.309 0.063 17918 9918 1 16 . 1 1 36 36 ASP C C 39 180.015 180.015 178.535 1.480 17918 9919 1 16 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.233 0.986 17918 9920 1 16 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.519 0.715 17918 9921 1 16 . 1 1 36 36 ASP H H 39 7.916 7.916 7.956 -0.040 17918 9922 1 16 . 1 1 37 37 ALA N N 40 126.126 126.126 122.884 3.242 17918 9923 1 16 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.147 -0.307 17918 9924 1 16 . 1 1 37 37 ALA C C 40 179.923 179.923 179.643 0.280 17918 9925 1 16 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.171 1.174 17918 9926 1 16 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.540 1.313 17918 9927 1 16 . 1 1 37 37 ALA H H 40 8.318 8.318 8.167 0.151 17918 9928 1 16 . 1 1 38 38 ILE N N 41 118.850 118.850 119.245 -0.395 17918 9929 1 16 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.573 -0.105 17918 9930 1 16 . 1 1 38 38 ILE C C 41 179.106 179.106 177.869 1.237 17918 9931 1 16 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.224 -0.845 17918 9932 1 16 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.830 -0.539 17918 9933 1 16 . 1 1 38 38 ILE H H 41 8.151 8.151 8.177 -0.026 17918 9934 1 16 . 1 1 39 39 LYS N N 42 120.585 120.585 119.838 0.747 17918 9935 1 16 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.821 0.163 17918 9936 1 16 . 1 1 39 39 LYS C C 42 180.883 180.883 178.438 2.445 17918 9937 1 16 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.012 0.873 17918 9938 1 16 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.044 1.498 17918 9939 1 16 . 1 1 39 39 LYS H H 42 7.519 7.519 8.230 -0.711 17918 9940 1 16 . 1 1 40 40 GLU N N 43 121.167 121.167 119.935 1.232 17918 9941 1 16 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.008 0.308 17918 9942 1 16 . 1 1 40 40 GLU C C 43 179.969 179.969 178.980 0.989 17918 9943 1 16 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.347 0.659 17918 9944 1 16 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.664 1.077 17918 9945 1 16 . 1 1 40 40 GLU H H 43 7.911 7.911 7.712 0.199 17918 9946 1 16 . 1 1 41 41 LEU N N 44 121.081 121.081 120.003 1.078 17918 9947 1 16 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.126 0.065 17918 9948 1 16 . 1 1 41 41 LEU C C 44 180.778 180.778 179.693 1.085 17918 9949 1 16 . 1 1 41 41 LEU CA C 44 58.933 58.933 57.925 1.008 17918 9950 1 16 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.496 1.389 17918 9951 1 16 . 1 1 41 41 LEU H H 44 8.424 8.424 8.588 -0.164 17918 9952 1 16 . 1 1 42 42 GLN N N 45 121.129 121.129 118.946 2.183 17918 9953 1 16 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.232 -0.203 17918 9954 1 16 . 1 1 42 42 GLN C C 45 179.911 179.911 178.710 1.201 17918 9955 1 16 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.495 1.863 17918 9956 1 16 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.706 0.316 17918 9957 1 16 . 1 1 42 42 GLN H H 45 8.971 8.971 8.278 0.693 17918 9958 1 16 . 1 1 43 43 LYS N N 46 121.830 121.830 120.093 1.737 17918 9959 1 16 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.041 -0.034 17918 9960 1 16 . 1 1 43 43 LYS C C 46 180.898 180.898 178.796 2.102 17918 9961 1 16 . 1 1 43 43 LYS CA C 46 60.644 60.644 58.970 1.674 17918 9962 1 16 . 1 1 43 43 LYS CB C 46 32.464 32.464 31.857 0.607 17918 9963 1 16 . 1 1 43 43 LYS H H 46 7.769 7.769 8.026 -0.257 17918 9964 1 16 . 1 1 44 44 TRP N N 47 119.737 119.737 122.002 -2.265 17918 9965 1 16 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.303 -0.347 17918 9966 1 16 . 1 1 44 44 TRP C C 47 179.173 179.173 178.359 0.814 17918 9967 1 16 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.835 3.211 17918 9968 1 16 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.829 -0.214 17918 9969 1 16 . 1 1 44 44 TRP H H 47 8.002 8.002 8.572 -0.570 17918 9970 1 16 . 1 1 45 45 SER N N 48 114.940 114.940 114.089 0.851 17918 9971 1 16 . 1 1 45 45 SER HA H 48 4.072 4.072 3.929 0.143 17918 9972 1 16 . 1 1 45 45 SER C C 48 178.249 178.249 176.947 1.302 17918 9973 1 16 . 1 1 45 45 SER CA C 48 63.707 63.707 61.736 1.971 17918 9974 1 16 . 1 1 45 45 SER H H 48 8.901 8.901 8.201 0.700 17918 9975 1 16 . 1 1 46 46 GLN N N 49 121.411 121.411 122.436 -1.025 17918 9976 1 16 . 1 1 46 46 GLN HA H 49 4.197 4.197 3.994 0.203 17918 9977 1 16 . 1 1 46 46 GLN C C 49 179.809 179.809 178.130 1.679 17918 9978 1 16 . 1 1 46 46 GLN CA C 49 59.859 59.859 59.258 0.601 17918 9979 1 16 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.600 0.593 17918 9980 1 16 . 1 1 46 46 GLN H H 49 7.950 7.950 8.038 -0.088 17918 9981 1 16 . 1 1 47 47 ARG N N 50 121.809 121.809 119.601 2.208 17918 9982 1 16 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.336 -0.285 17918 9983 1 16 . 1 1 47 47 ARG C C 50 179.464 179.464 179.322 0.142 17918 9984 1 16 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.465 1.582 17918 9985 1 16 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.415 1.578 17918 9986 1 16 . 1 1 47 47 ARG H H 50 7.834 7.834 7.564 0.270 17918 9987 1 16 . 1 1 48 48 ILE N N 51 120.569 120.569 119.388 1.181 17918 9988 1 16 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.225 0.263 17918 9989 1 16 . 1 1 48 48 ILE C C 51 181.848 181.848 178.279 3.569 17918 9990 1 16 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.783 -0.220 17918 9991 1 16 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.923 2.770 17918 9992 1 16 . 1 1 48 48 ILE H H 51 8.127 8.127 8.748 -0.621 17918 9993 1 16 . 1 1 49 49 ALA N N 52 124.538 124.538 121.165 3.373 17918 9994 1 16 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.154 0.055 17918 9995 1 16 . 1 1 49 49 ALA C C 52 181.120 181.120 178.686 2.434 17918 9996 1 16 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.190 2.229 17918 9997 1 16 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.100 0.316 17918 9998 1 16 . 1 1 49 49 ALA H H 52 8.526 8.526 7.844 0.682 17918 9999 1 16 . 1 1 50 50 SER N N 53 111.097 111.097 113.810 -2.713 17918 10000 1 16 . 1 1 50 50 SER HA H 53 4.428 4.428 4.346 0.082 17918 10001 1 16 . 1 1 50 50 SER C C 53 176.608 176.608 176.204 0.404 17918 10002 1 16 . 1 1 50 50 SER CA C 53 60.248 60.248 59.482 0.766 17918 10003 1 16 . 1 1 50 50 SER CB C 53 65.098 65.098 64.415 0.683 17918 10004 1 16 . 1 1 50 50 SER H H 53 8.124 8.124 8.321 -0.197 17918 10005 1 16 . 1 1 51 51 GLY N N 54 110.581 110.581 108.977 1.604 17918 10006 1 16 . 1 1 51 51 GLY C C 54 175.699 175.699 175.073 0.626 17918 10007 1 16 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.863 1.568 17918 10008 1 16 . 1 1 51 51 GLY H H 54 7.904 7.904 8.273 -0.369 17918 10009 1 16 . 1 1 52 52 GLU N N 55 122.231 122.231 121.014 1.217 17918 10010 1 16 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.096 -0.093 17918 10011 1 16 . 1 1 52 52 GLU C C 55 177.647 177.647 176.884 0.763 17918 10012 1 16 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.585 1.503 17918 10013 1 16 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.204 1.419 17918 10014 1 16 . 1 1 52 52 GLU H H 55 8.204 8.204 7.959 0.245 17918 10015 1 16 . 1 1 53 53 VAL N N 56 111.615 111.615 111.435 0.180 17918 10016 1 16 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.591 -0.012 17918 10017 1 16 . 1 1 53 53 VAL C C 56 175.225 175.225 174.674 0.551 17918 10018 1 16 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.892 -0.209 17918 10019 1 16 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.702 0.831 17918 10020 1 16 . 1 1 53 53 VAL H H 56 7.274 7.274 7.309 -0.035 17918 10021 1 16 . 1 1 54 54 SER N N 57 119.532 119.532 115.235 4.297 17918 10022 1 16 . 1 1 54 54 SER HA H 57 4.692 4.692 4.692 0.000 17918 10023 1 16 . 1 1 54 54 SER C C 57 176.092 176.092 175.373 0.719 17918 10024 1 16 . 1 1 54 54 SER CA C 57 58.189 58.189 56.660 1.529 17918 10025 1 16 . 1 1 54 54 SER CB C 57 66.447 66.447 65.441 1.006 17918 10026 1 16 . 1 1 54 54 SER H H 57 8.637 8.637 8.056 0.581 17918 10027 1 16 . 1 1 55 55 PHE N N 58 123.609 123.609 123.335 0.274 17918 10028 1 16 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.073 -0.419 17918 10029 1 16 . 1 1 55 55 PHE C C 58 177.469 177.469 176.833 0.636 17918 10030 1 16 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.206 2.651 17918 10031 1 16 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.581 2.385 17918 10032 1 16 . 1 1 55 55 PHE H H 58 9.326 9.326 9.198 0.128 17918 10033 1 16 . 1 1 56 56 GLU N N 59 116.994 116.994 118.058 -1.064 17918 10034 1 16 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.198 0.007 17918 10035 1 16 . 1 1 56 56 GLU C C 59 180.852 180.852 179.347 1.505 17918 10036 1 16 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.145 1.222 17918 10037 1 16 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.828 1.002 17918 10038 1 16 . 1 1 56 56 GLU H H 59 9.464 9.464 8.874 0.590 17918 10039 1 16 . 1 1 57 57 GLU N N 60 122.452 122.452 118.819 3.633 17918 10040 1 16 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.045 -0.022 17918 10041 1 16 . 1 1 57 57 GLU C C 60 179.899 179.899 178.619 1.280 17918 10042 1 16 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.772 1.241 17918 10043 1 16 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.173 2.012 17918 10044 1 16 . 1 1 57 57 GLU H H 60 7.978 7.978 7.630 0.348 17918 10045 1 16 . 1 1 58 58 ALA N N 61 123.053 123.053 121.483 1.570 17918 10046 1 16 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.121 0.460 17918 10047 1 16 . 1 1 58 58 ALA C C 61 179.854 179.854 179.333 0.521 17918 10048 1 16 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.370 1.512 17918 10049 1 16 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.366 2.694 17918 10050 1 16 . 1 1 58 58 ALA H H 61 8.157 8.157 7.331 0.826 17918 10051 1 16 . 1 1 59 59 ALA N N 62 120.029 120.029 120.898 -0.869 17918 10052 1 16 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.873 -0.321 17918 10053 1 16 . 1 1 59 59 ALA C C 62 181.080 181.080 179.909 1.171 17918 10054 1 16 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.991 1.427 17918 10055 1 16 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.406 -0.364 17918 10056 1 16 . 1 1 59 59 ALA H H 62 8.540 8.540 8.363 0.177 17918 10057 1 16 . 1 1 60 60 SER N N 63 113.010 113.010 111.519 1.491 17918 10058 1 16 . 1 1 60 60 SER HA H 63 4.766 4.766 4.365 0.401 17918 10059 1 16 . 1 1 60 60 SER C C 63 176.299 176.299 175.934 0.365 17918 10060 1 16 . 1 1 60 60 SER CA C 63 62.414 62.414 61.325 1.089 17918 10061 1 16 . 1 1 60 60 SER CB C 63 64.687 64.687 63.307 1.380 17918 10062 1 16 . 1 1 60 60 SER H H 63 8.013 8.013 7.997 0.016 17918 10063 1 16 . 1 1 61 61 GLN N N 64 115.830 115.830 116.595 -0.765 17918 10064 1 16 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.364 -0.234 17918 10065 1 16 . 1 1 61 61 GLN C C 64 178.579 178.579 176.885 1.694 17918 10066 1 16 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.710 0.656 17918 10067 1 16 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.727 1.649 17918 10068 1 16 . 1 1 61 61 GLN H H 64 7.496 7.496 7.430 0.066 17918 10069 1 16 . 1 1 62 62 ARG N N 65 115.716 115.716 116.162 -0.446 17918 10070 1 16 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.537 -0.076 17918 10071 1 16 . 1 1 62 62 ARG C C 65 176.601 176.601 176.604 -0.003 17918 10072 1 16 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.858 -2.227 17918 10073 1 16 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.239 1.417 17918 10074 1 16 . 1 1 62 62 ARG H H 65 7.693 7.693 8.489 -0.796 17918 10075 1 16 . 1 1 63 63 SER N N 66 114.680 114.680 115.785 -1.105 17918 10076 1 16 . 1 1 63 63 SER HA H 66 4.222 4.222 4.533 -0.311 17918 10077 1 16 . 1 1 63 63 SER C C 66 177.034 177.034 175.079 1.955 17918 10078 1 16 . 1 1 63 63 SER CA C 66 59.677 59.677 58.217 1.460 17918 10079 1 16 . 1 1 63 63 SER CB C 66 65.786 65.786 63.031 2.755 17918 10080 1 16 . 1 1 63 63 SER H H 66 8.528 8.528 7.558 0.970 17918 10081 1 16 . 1 1 64 64 ASP N N 67 123.612 123.612 125.179 -1.567 17918 10082 1 16 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.301 0.598 17918 10083 1 16 . 1 1 64 64 ASP C C 67 176.674 176.674 176.466 0.208 17918 10084 1 16 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.543 -0.552 17918 10085 1 16 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.285 2.372 17918 10086 1 16 . 1 1 64 64 ASP H H 67 9.645 9.645 8.666 0.979 17918 10087 1 16 . 1 1 65 65 CYS N N 68 124.716 124.716 118.507 6.209 17918 10088 1 16 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.453 -0.008 17918 10089 1 16 . 1 1 65 65 CYS C C 68 177.747 177.747 177.067 0.680 17918 10090 1 16 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.552 0.566 17918 10091 1 16 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.228 1.231 17918 10092 1 16 . 1 1 65 65 CYS H H 68 7.903 7.903 7.635 0.268 17918 10093 1 16 . 1 1 66 66 GLY N N 69 118.503 118.503 113.056 5.447 17918 10094 1 16 . 1 1 66 66 GLY C C 69 175.872 175.872 175.387 0.485 17918 10095 1 16 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.593 1.349 17918 10096 1 16 . 1 1 66 66 GLY H H 69 8.811 8.811 8.996 -0.185 17918 10097 1 16 . 1 1 67 67 SER N N 70 120.316 120.316 118.181 2.135 17918 10098 1 16 . 1 1 67 67 SER HA H 70 4.245 4.245 4.159 0.086 17918 10099 1 16 . 1 1 67 67 SER C C 70 178.404 178.404 176.083 2.321 17918 10100 1 16 . 1 1 67 67 SER CA C 70 61.611 61.611 60.380 1.231 17918 10101 1 16 . 1 1 67 67 SER CB C 70 64.297 64.297 62.564 1.733 17918 10102 1 16 . 1 1 67 67 SER H H 70 9.556 9.556 7.817 1.739 17918 10103 1 16 . 1 1 68 68 TYR N N 71 129.376 129.376 121.770 7.606 17918 10104 1 16 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.267 -0.236 17918 10105 1 16 . 1 1 68 68 TYR C C 71 177.613 177.613 177.376 0.237 17918 10106 1 16 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.294 3.098 17918 10107 1 16 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.554 0.243 17918 10108 1 16 . 1 1 68 68 TYR H H 71 8.584 8.584 8.409 0.175 17918 10109 1 16 . 1 1 69 69 ALA N N 72 122.673 122.673 121.855 0.818 17918 10110 1 16 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.821 -0.176 17918 10111 1 16 . 1 1 69 69 ALA C C 72 179.011 179.011 177.830 1.181 17918 10112 1 16 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.592 0.698 17918 10113 1 16 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.062 1.059 17918 10114 1 16 . 1 1 69 69 ALA H H 72 5.645 5.645 7.177 -1.532 17918 10115 1 16 . 1 1 70 70 SER N N 73 114.496 114.496 111.909 2.587 17918 10116 1 16 . 1 1 70 70 SER HA H 73 4.782 4.782 4.462 0.320 17918 10117 1 16 . 1 1 70 70 SER C C 73 177.320 177.320 174.975 2.345 17918 10118 1 16 . 1 1 70 70 SER CA C 73 57.287 57.287 56.937 0.350 17918 10119 1 16 . 1 1 70 70 SER CB C 73 64.538 64.538 63.754 0.784 17918 10120 1 16 . 1 1 70 70 SER H H 73 7.654 7.654 7.298 0.356 17918 10121 1 16 . 1 1 71 71 GLY N N 74 112.182 112.182 109.325 2.857 17918 10122 1 16 . 1 1 71 71 GLY C C 74 174.379 174.379 175.319 -0.940 17918 10123 1 16 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.080 3.354 17918 10124 1 16 . 1 1 71 71 GLY H H 74 7.933 7.933 7.307 0.626 17918 10125 1 16 . 1 1 72 72 GLY N N 75 126.463 126.463 108.934 17.529 17918 10126 1 16 . 1 1 72 72 GLY C C 75 175.121 175.121 172.239 2.882 17918 10127 1 16 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.541 0.531 17918 10128 1 16 . 1 1 72 72 GLY H H 75 7.994 7.994 8.432 -0.438 17918 10129 1 16 . 1 1 73 73 ASP N N 76 118.815 118.815 119.991 -1.176 17918 10130 1 16 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.539 -0.125 17918 10131 1 16 . 1 1 73 73 ASP C C 76 177.362 177.362 174.914 2.448 17918 10132 1 16 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.568 2.555 17918 10133 1 16 . 1 1 73 73 ASP CB C 76 42.451 42.451 43.076 -0.625 17918 10134 1 16 . 1 1 73 73 ASP H H 76 6.956 6.956 7.455 -0.499 17918 10135 1 16 . 1 1 74 74 LEU N N 77 128.720 128.720 123.905 4.815 17918 10136 1 16 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.596 -0.241 17918 10137 1 16 . 1 1 74 74 LEU C C 77 179.412 179.412 177.569 1.843 17918 10138 1 16 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.477 2.656 17918 10139 1 16 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.360 1.482 17918 10140 1 16 . 1 1 74 74 LEU H H 77 8.694 8.694 8.471 0.223 17918 10141 1 16 . 1 1 75 75 GLY N N 78 109.695 109.695 107.958 1.737 17918 10142 1 16 . 1 1 75 75 GLY C C 78 173.473 173.473 174.886 -1.413 17918 10143 1 16 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.208 0.138 17918 10144 1 16 . 1 1 75 75 GLY H H 78 8.682 8.682 7.690 0.992 17918 10145 1 16 . 1 1 76 76 PHE N N 79 115.646 115.646 114.835 0.811 17918 10146 1 16 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.390 0.829 17918 10147 1 16 . 1 1 76 76 PHE C C 79 178.904 178.904 175.321 3.583 17918 10148 1 16 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.723 -0.267 17918 10149 1 16 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.227 3.590 17918 10150 1 16 . 1 1 76 76 PHE H H 79 8.203 8.203 7.575 0.628 17918 10151 1 16 . 1 1 77 77 PHE N N 80 119.508 119.508 116.423 3.085 17918 10152 1 16 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.077 0.060 17918 10153 1 16 . 1 1 77 77 PHE C C 80 174.331 174.331 173.817 0.514 17918 10154 1 16 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.212 0.684 17918 10155 1 16 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.314 1.149 17918 10156 1 16 . 1 1 77 77 PHE H H 80 9.112 9.112 8.874 0.238 17918 10157 1 16 . 1 1 78 78 SER N N 81 116.578 116.578 115.748 0.830 17918 10158 1 16 . 1 1 78 78 SER HA H 81 4.957 4.957 4.637 0.320 17918 10159 1 16 . 1 1 78 78 SER C C 81 176.191 176.191 175.431 0.760 17918 10160 1 16 . 1 1 78 78 SER CA C 81 58.065 58.065 58.116 -0.051 17918 10161 1 16 . 1 1 78 78 SER CB C 81 66.514 66.514 64.244 2.270 17918 10162 1 16 . 1 1 78 78 SER H H 81 8.930 8.930 9.284 -0.354 17918 10163 1 16 . 1 1 79 79 SER N N 82 118.715 118.715 116.129 2.586 17918 10164 1 16 . 1 1 79 79 SER HA H 82 4.420 4.420 4.264 0.156 17918 10165 1 16 . 1 1 79 79 SER C C 82 176.946 176.946 175.680 1.266 17918 10166 1 16 . 1 1 79 79 SER CA C 82 60.988 60.988 60.649 0.339 17918 10167 1 16 . 1 1 79 79 SER CB C 82 64.242 64.242 62.674 1.568 17918 10168 1 16 . 1 1 79 79 SER H H 82 8.751 8.751 8.534 0.217 17918 10169 1 16 . 1 1 80 80 GLY N N 83 117.069 117.069 109.604 7.465 17918 10170 1 16 . 1 1 80 80 GLY C C 83 175.628 175.628 173.446 2.182 17918 10171 1 16 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.929 1.703 17918 10172 1 16 . 1 1 80 80 GLY H H 83 10.009 10.009 8.316 1.693 17918 10173 1 16 . 1 1 81 81 GLU N N 84 120.322 120.322 122.646 -2.324 17918 10174 1 16 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.419 -0.188 17918 10175 1 16 . 1 1 81 81 GLU C C 84 178.456 178.456 176.217 2.239 17918 10176 1 16 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.756 2.971 17918 10177 1 16 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.402 2.319 17918 10178 1 16 . 1 1 81 81 GLU H H 84 7.812 7.812 8.661 -0.849 17918 10179 1 16 . 1 1 82 82 MET N N 85 117.156 117.156 114.560 2.596 17918 10180 1 16 . 1 1 82 82 MET HA H 85 4.569 4.569 4.705 -0.136 17918 10181 1 16 . 1 1 82 82 MET C C 85 176.991 176.991 175.024 1.967 17918 10182 1 16 . 1 1 82 82 MET CA C 85 53.174 53.174 53.527 -0.353 17918 10183 1 16 . 1 1 82 82 MET CB C 85 34.386 34.386 34.759 -0.373 17918 10184 1 16 . 1 1 82 82 MET H H 85 8.601 8.601 7.354 1.247 17918 10185 1 16 . 1 1 83 83 MET N N 86 119.413 119.413 119.134 0.279 17918 10186 1 16 . 1 1 83 83 MET HA H 86 4.273 4.273 4.359 -0.086 17918 10187 1 16 . 1 1 83 83 MET C C 86 178.979 178.979 177.384 1.595 17918 10188 1 16 . 1 1 83 83 MET CA C 86 58.320 58.320 55.976 2.344 17918 10189 1 16 . 1 1 83 83 MET CB C 86 34.339 34.339 32.705 1.634 17918 10190 1 16 . 1 1 83 83 MET H H 86 8.413 8.413 8.376 0.037 17918 10191 1 16 . 1 1 84 84 LYS N N 87 126.834 126.834 122.748 4.086 17918 10192 1 16 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.031 0.709 17918 10193 1 16 . 1 1 84 84 LYS C C 87 175.267 175.267 176.702 -1.435 17918 10194 1 16 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.207 1.254 17918 10195 1 16 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.260 1.175 17918 10196 1 16 . 1 1 84 84 LYS H H 87 9.099 9.099 8.843 0.256 17918 10197 1 16 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.341 0.124 17918 10198 1 16 . 1 1 85 85 PRO C C 88 180.671 180.671 178.132 2.539 17918 10199 1 16 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.332 1.411 17918 10200 1 16 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.282 0.974 17918 10201 1 16 . 1 1 86 86 PHE N N 89 116.583 116.583 120.114 -3.531 17918 10202 1 16 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.095 -0.448 17918 10203 1 16 . 1 1 86 86 PHE C C 89 177.086 177.086 176.993 0.093 17918 10204 1 16 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.549 0.935 17918 10205 1 16 . 1 1 86 86 PHE CB C 89 41.510 41.510 38.846 2.664 17918 10206 1 16 . 1 1 86 86 PHE H H 89 7.102 7.102 7.927 -0.825 17918 10207 1 16 . 1 1 87 87 GLU N N 90 120.506 120.506 119.716 0.790 17918 10208 1 16 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.711 0.013 17918 10209 1 16 . 1 1 87 87 GLU C C 90 179.102 179.102 178.507 0.595 17918 10210 1 16 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.349 2.509 17918 10211 1 16 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.105 1.679 17918 10212 1 16 . 1 1 87 87 GLU H H 90 8.126 8.126 8.671 -0.545 17918 10213 1 16 . 1 1 88 88 ASP N N 91 118.355 118.355 119.021 -0.666 17918 10214 1 16 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.368 -0.133 17918 10215 1 16 . 1 1 88 88 ASP C C 91 180.067 180.067 178.122 1.945 17918 10216 1 16 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.402 0.902 17918 10217 1 16 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.706 0.320 17918 10218 1 16 . 1 1 88 88 ASP H H 91 9.121 9.121 7.954 1.167 17918 10219 1 16 . 1 1 89 89 ALA N N 92 121.718 121.718 121.454 0.264 17918 10220 1 16 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.136 -0.064 17918 10221 1 16 . 1 1 89 89 ALA C C 92 181.131 181.131 179.570 1.561 17918 10222 1 16 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.980 0.865 17918 10223 1 16 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.307 1.792 17918 10224 1 16 . 1 1 89 89 ALA H H 92 7.154 7.154 7.406 -0.252 17918 10225 1 16 . 1 1 90 90 VAL N N 93 117.315 117.315 117.658 -0.343 17918 10226 1 16 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.626 -0.211 17918 10227 1 16 . 1 1 90 90 VAL C C 93 178.908 178.908 177.848 1.060 17918 10228 1 16 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.579 2.175 17918 10229 1 16 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.197 1.152 17918 10230 1 16 . 1 1 90 90 VAL H H 93 7.797 7.797 7.082 0.715 17918 10231 1 16 . 1 1 91 91 ARG N N 94 116.826 116.826 117.660 -0.834 17918 10232 1 16 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.128 -0.274 17918 10233 1 16 . 1 1 91 91 ARG C C 94 177.858 177.858 178.068 -0.210 17918 10234 1 16 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.566 1.901 17918 10235 1 16 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.541 1.547 17918 10236 1 16 . 1 1 91 91 ARG H H 94 8.154 8.154 8.120 0.034 17918 10237 1 16 . 1 1 92 92 ALA N N 95 118.849 118.849 122.916 -4.067 17918 10238 1 16 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.188 0.105 17918 10239 1 16 . 1 1 92 92 ALA C C 95 178.452 178.452 177.890 0.562 17918 10240 1 16 . 1 1 92 92 ALA CA C 95 53.477 53.477 54.050 -0.573 17918 10241 1 16 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.018 1.129 17918 10242 1 16 . 1 1 92 92 ALA H H 95 7.067 7.067 7.496 -0.429 17918 10243 1 16 . 1 1 93 93 LEU N N 96 120.871 120.871 114.329 6.542 17918 10244 1 16 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.466 0.048 17918 10245 1 16 . 1 1 93 93 LEU C C 96 179.045 179.045 175.652 3.393 17918 10246 1 16 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.990 1.173 17918 10247 1 16 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.921 2.011 17918 10248 1 16 . 1 1 93 93 LEU H H 96 7.396 7.396 7.512 -0.116 17918 10249 1 16 . 1 1 94 94 LYS N N 97 121.289 121.289 119.409 1.880 17918 10250 1 16 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.493 -0.085 17918 10251 1 16 . 1 1 94 94 LYS C C 97 178.629 178.629 176.970 1.659 17918 10252 1 16 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.160 2.134 17918 10253 1 16 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.351 -0.956 17918 10254 1 16 . 1 1 94 94 LYS H H 97 8.274 8.274 8.887 -0.613 17918 10255 1 16 . 1 1 95 95 ILE N N 98 122.343 122.343 124.003 -1.660 17918 10256 1 16 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.681 -0.616 17918 10257 1 16 . 1 1 95 95 ILE C C 98 178.406 178.406 176.868 1.538 17918 10258 1 16 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.362 2.932 17918 10259 1 16 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.928 1.234 17918 10260 1 16 . 1 1 95 95 ILE H H 98 8.396 8.396 8.544 -0.148 17918 10261 1 16 . 1 1 96 96 GLY N N 99 118.074 118.074 116.198 1.876 17918 10262 1 16 . 1 1 96 96 GLY C C 99 174.605 174.605 174.353 0.252 17918 10263 1 16 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.526 1.647 17918 10264 1 16 . 1 1 96 96 GLY H H 99 8.988 8.988 8.775 0.213 17918 10265 1 16 . 1 1 97 97 ASP N N 100 121.984 121.984 122.619 -0.635 17918 10266 1 16 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.757 0.038 17918 10267 1 16 . 1 1 97 97 ASP C C 100 175.344 175.344 175.275 0.069 17918 10268 1 16 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.711 0.326 17918 10269 1 16 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.247 1.706 17918 10270 1 16 . 1 1 97 97 ASP H H 100 7.978 7.978 8.539 -0.561 17918 10271 1 16 . 1 1 98 98 ILE N N 101 117.483 117.483 120.853 -3.370 17918 10272 1 16 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.568 0.592 17918 10273 1 16 . 1 1 98 98 ILE C C 101 178.147 178.147 175.715 2.432 17918 10274 1 16 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.320 0.016 17918 10275 1 16 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.242 0.051 17918 10276 1 16 . 1 1 98 98 ILE H H 101 8.048 8.048 8.238 -0.190 17918 10277 1 16 . 1 1 99 99 SER N N 102 126.778 126.778 124.894 1.884 17918 10278 1 16 . 1 1 99 99 SER HA H 102 4.526 4.526 4.958 -0.432 17918 10279 1 16 . 1 1 99 99 SER C C 102 172.735 172.735 173.012 -0.277 17918 10280 1 16 . 1 1 99 99 SER CA C 102 59.441 59.441 56.316 3.125 17918 10281 1 16 . 1 1 99 99 SER CB C 102 64.572 64.572 62.969 1.603 17918 10282 1 16 . 1 1 99 99 SER H H 102 9.722 9.722 9.121 0.601 17918 10283 1 16 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.573 0.246 17918 10284 1 16 . 1 1 100 100 PRO C C 103 176.647 176.647 176.793 -0.146 17918 10285 1 16 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.490 0.638 17918 10286 1 16 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.249 1.190 17918 10287 1 16 . 1 1 101 101 ILE N N 104 120.048 120.048 119.104 0.944 17918 10288 1 16 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.067 0.240 17918 10289 1 16 . 1 1 101 101 ILE C C 104 178.021 178.021 176.503 1.518 17918 10290 1 16 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.489 2.652 17918 10291 1 16 . 1 1 101 101 ILE CB C 104 38.970 38.970 38.062 0.908 17918 10292 1 16 . 1 1 101 101 ILE H H 104 8.199 8.199 8.215 -0.016 17918 10293 1 16 . 1 1 102 102 VAL N N 105 130.676 130.676 128.328 2.348 17918 10294 1 16 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.417 -0.060 17918 10295 1 16 . 1 1 102 102 VAL C C 105 175.118 175.118 174.659 0.459 17918 10296 1 16 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.306 0.501 17918 10297 1 16 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.178 3.205 17918 10298 1 16 . 1 1 102 102 VAL H H 105 9.285 9.285 8.804 0.481 17918 10299 1 16 . 1 1 103 103 GLN N N 106 128.464 128.464 127.384 1.080 17918 10300 1 16 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.666 0.783 17918 10301 1 16 . 1 1 103 103 GLN C C 106 176.704 176.704 175.889 0.815 17918 10302 1 16 . 1 1 103 103 GLN CA C 106 56.060 56.060 57.029 -0.969 17918 10303 1 16 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.196 1.836 17918 10304 1 16 . 1 1 103 103 GLN H H 106 8.900 8.900 8.857 0.043 17918 10305 1 16 . 1 1 104 104 THR N N 107 116.680 116.680 119.728 -3.048 17918 10306 1 16 . 1 1 104 104 THR HA H 107 4.978 4.978 4.748 0.230 17918 10307 1 16 . 1 1 104 104 THR C C 107 177.189 177.189 174.643 2.546 17918 10308 1 16 . 1 1 104 104 THR CA C 107 61.836 61.836 59.876 1.960 17918 10309 1 16 . 1 1 104 104 THR CB C 107 73.663 73.663 70.478 3.184 17918 10310 1 16 . 1 1 104 104 THR H H 107 9.275 9.275 8.827 0.448 17918 10311 1 16 . 1 1 105 105 ASP N N 108 119.651 119.651 121.798 -2.147 17918 10312 1 16 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.468 0.110 17918 10313 1 16 . 1 1 105 105 ASP C C 108 179.034 179.034 178.016 1.018 17918 10314 1 16 . 1 1 105 105 ASP CA C 108 57.955 57.955 58.111 -0.156 17918 10315 1 16 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.756 1.260 17918 10316 1 16 . 1 1 105 105 ASP H H 108 8.945 8.945 8.804 0.141 17918 10317 1 16 . 1 1 106 106 SER N N 109 114.257 114.257 114.219 0.038 17918 10318 1 16 . 1 1 106 106 SER HA H 109 4.642 4.642 4.332 0.310 17918 10319 1 16 . 1 1 106 106 SER C C 109 177.224 177.224 174.610 2.614 17918 10320 1 16 . 1 1 106 106 SER CA C 109 62.788 62.788 60.562 2.226 17918 10321 1 16 . 1 1 106 106 SER CB C 109 64.767 64.767 63.470 1.297 17918 10322 1 16 . 1 1 106 106 SER H H 109 8.968 8.968 8.535 0.433 17918 10323 1 16 . 1 1 107 107 GLY N N 110 111.288 111.288 106.798 4.490 17918 10324 1 16 . 1 1 107 107 GLY C C 110 169.468 169.468 172.241 -2.773 17918 10325 1 16 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.210 1.488 17918 10326 1 16 . 1 1 107 107 GLY H H 110 7.829 7.829 7.883 -0.054 17918 10327 1 16 . 1 1 108 108 LEU N N 111 122.506 122.506 121.824 0.682 17918 10328 1 16 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.054 0.317 17918 10329 1 16 . 1 1 108 108 LEU C C 111 175.948 175.948 175.573 0.375 17918 10330 1 16 . 1 1 108 108 LEU CA C 111 54.276 54.276 53.954 0.322 17918 10331 1 16 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.926 0.849 17918 10332 1 16 . 1 1 108 108 LEU H H 111 8.143 8.143 8.738 -0.595 17918 10333 1 16 . 1 1 109 109 HIS N N 112 119.518 119.518 122.395 -2.877 17918 10334 1 16 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.772 0.323 17918 10335 1 16 . 1 1 109 109 HIS C C 112 179.186 179.186 174.600 4.586 17918 10336 1 16 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.968 0.412 17918 10337 1 16 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.680 0.158 17918 10338 1 16 . 1 1 109 109 HIS H H 112 9.764 9.764 9.123 0.641 17918 10339 1 16 . 1 1 110 110 ILE N N 113 113.128 113.128 119.456 -6.328 17918 10340 1 16 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.840 -0.381 17918 10341 1 16 . 1 1 110 110 ILE C C 113 176.666 176.666 174.231 2.435 17918 10342 1 16 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.277 4.160 17918 10343 1 16 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.182 2.554 17918 10344 1 16 . 1 1 110 110 ILE H H 113 8.117 8.117 8.570 -0.453 17918 10345 1 16 . 1 1 111 111 ILE N N 114 125.121 125.121 123.718 1.403 17918 10346 1 16 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.242 -0.472 17918 10347 1 16 . 1 1 111 111 ILE C C 114 173.792 173.792 174.831 -1.039 17918 10348 1 16 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.782 2.201 17918 10349 1 16 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.231 1.452 17918 10350 1 16 . 1 1 111 111 ILE H H 114 8.604 8.604 8.924 -0.320 17918 10351 1 16 . 1 1 112 112 LYS N N 115 127.966 127.966 122.508 5.458 17918 10352 1 16 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.353 -0.180 17918 10353 1 16 . 1 1 112 112 LYS C C 115 177.267 177.267 174.827 2.440 17918 10354 1 16 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.258 0.117 17918 10355 1 16 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.801 -0.288 17918 10356 1 16 . 1 1 112 112 LYS H H 115 9.075 9.075 9.160 -0.085 17918 10357 1 16 . 1 1 113 113 ARG N N 116 126.762 126.762 122.929 3.833 17918 10358 1 16 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.264 0.071 17918 10359 1 16 . 1 1 113 113 ARG C C 116 176.109 176.109 176.091 0.018 17918 10360 1 16 . 1 1 113 113 ARG CA C 116 58.823 58.823 56.898 1.925 17918 10361 1 16 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.252 0.605 17918 10362 1 16 . 1 1 113 113 ARG H H 116 7.830 7.830 8.475 -0.645 17918 10363 1 16 . 1 1 114 114 LEU N N 117 128.545 128.545 127.939 0.606 17918 10364 1 16 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.649 -0.026 17918 10365 1 16 . 1 1 114 114 LEU C C 117 176.857 176.857 175.738 1.119 17918 10366 1 16 . 1 1 114 114 LEU CA C 117 55.992 55.992 55.004 0.988 17918 10367 1 16 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.567 1.572 17918 10368 1 16 . 1 1 114 114 LEU H H 117 8.534 8.534 8.964 -0.430 17918 10369 1 17 . 1 1 2 2 SER N N 5 117.478 117.478 116.762 0.716 17918 10370 1 17 . 1 1 2 2 SER HA H 5 4.393 4.393 4.377 0.016 17918 10371 1 17 . 1 1 2 2 SER C C 5 175.466 175.466 174.706 0.760 17918 10372 1 17 . 1 1 2 2 SER CA C 5 59.622 59.622 60.091 -0.469 17918 10373 1 17 . 1 1 2 2 SER CB C 5 64.896 64.896 63.263 1.633 17918 10374 1 17 . 1 1 2 2 SER H H 5 8.317 8.317 8.261 0.056 17918 10375 1 17 . 1 1 3 3 GLU N N 6 123.783 123.783 118.991 4.792 17918 10376 1 17 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.484 -0.206 17918 10377 1 17 . 1 1 3 3 GLU C C 6 177.189 177.189 175.352 1.837 17918 10378 1 17 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.259 2.532 17918 10379 1 17 . 1 1 3 3 GLU CB C 6 31.568 31.568 31.232 0.336 17918 10380 1 17 . 1 1 3 3 GLU H H 6 8.359 8.359 7.739 0.620 17918 10381 1 17 . 1 1 4 4 LYS N N 7 122.875 122.875 117.951 4.924 17918 10382 1 17 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.351 0.163 17918 10383 1 17 . 1 1 4 4 LYS C C 7 176.557 176.557 175.345 1.212 17918 10384 1 17 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.898 -0.072 17918 10385 1 17 . 1 1 4 4 LYS CB C 7 35.393 35.393 32.145 3.248 17918 10386 1 17 . 1 1 4 4 LYS H H 7 8.193 8.193 8.498 -0.305 17918 10387 1 17 . 1 1 5 5 LEU N N 8 123.258 123.258 123.704 -0.446 17918 10388 1 17 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.705 -0.311 17918 10389 1 17 . 1 1 5 5 LEU C C 8 175.699 175.699 173.692 2.007 17918 10390 1 17 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.477 1.065 17918 10391 1 17 . 1 1 5 5 LEU CB C 8 46.512 46.512 47.341 -0.829 17918 10392 1 17 . 1 1 5 5 LEU H H 8 8.265 8.265 8.961 -0.696 17918 10393 1 17 . 1 1 6 6 ARG N N 9 117.197 117.197 118.570 -1.373 17918 10394 1 17 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.511 1.093 17918 10395 1 17 . 1 1 6 6 ARG C C 9 175.633 175.633 173.481 2.152 17918 10396 1 17 . 1 1 6 6 ARG CA C 9 57.175 57.175 54.939 2.236 17918 10397 1 17 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.533 2.887 17918 10398 1 17 . 1 1 6 6 ARG H H 9 7.759 7.759 8.464 -0.705 17918 10399 1 17 . 1 1 7 7 ALA N N 10 126.954 126.954 127.037 -0.083 17918 10400 1 17 . 1 1 7 7 ALA HA H 10 5.140 5.140 4.962 0.178 17918 10401 1 17 . 1 1 7 7 ALA C C 10 174.004 174.004 174.846 -0.842 17918 10402 1 17 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.600 0.267 17918 10403 1 17 . 1 1 7 7 ALA CB C 10 25.007 25.007 22.990 2.017 17918 10404 1 17 . 1 1 7 7 ALA H H 10 7.637 7.637 8.486 -0.849 17918 10405 1 17 . 1 1 8 8 ALA N N 11 122.081 122.081 122.904 -0.823 17918 10406 1 17 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.521 1.269 17918 10407 1 17 . 1 1 8 8 ALA C C 11 177.446 177.446 175.242 2.204 17918 10408 1 17 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.262 0.014 17918 10409 1 17 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.910 2.711 17918 10410 1 17 . 1 1 8 8 ALA H H 11 8.991 8.991 8.619 0.372 17918 10411 1 17 . 1 1 9 9 HIS N N 12 118.002 118.002 118.343 -0.341 17918 10412 1 17 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.640 0.489 17918 10413 1 17 . 1 1 9 9 HIS C C 12 172.689 172.689 172.787 -0.098 17918 10414 1 17 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.673 1.423 17918 10415 1 17 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.371 5.361 17918 10416 1 17 . 1 1 9 9 HIS H H 12 9.489 9.489 7.804 1.685 17918 10417 1 17 . 1 1 10 10 LEU N N 13 126.276 126.276 120.806 5.470 17918 10418 1 17 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.954 -1.048 17918 10419 1 17 . 1 1 10 10 LEU C C 13 174.163 174.163 174.379 -0.216 17918 10420 1 17 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.673 3.030 17918 10421 1 17 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.460 -0.893 17918 10422 1 17 . 1 1 10 10 LEU H H 13 8.866 8.866 9.097 -0.231 17918 10423 1 17 . 1 1 11 11 LEU N N 14 127.134 127.134 126.447 0.687 17918 10424 1 17 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.181 -0.443 17918 10425 1 17 . 1 1 11 11 LEU C C 14 175.626 175.626 174.606 1.020 17918 10426 1 17 . 1 1 11 11 LEU CA C 14 53.603 53.603 52.984 0.619 17918 10427 1 17 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.172 1.523 17918 10428 1 17 . 1 1 11 11 LEU H H 14 7.762 7.762 8.487 -0.725 17918 10429 1 17 . 1 1 12 12 VAL N N 15 129.450 129.450 128.454 0.996 17918 10430 1 17 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.445 -0.035 17918 10431 1 17 . 1 1 12 12 VAL C C 15 177.055 177.055 174.885 2.170 17918 10432 1 17 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.386 2.455 17918 10433 1 17 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.738 -0.349 17918 10434 1 17 . 1 1 12 12 VAL H H 15 9.667 9.667 8.868 0.799 17918 10435 1 17 . 1 1 13 13 LYS N N 16 127.188 127.188 126.683 0.505 17918 10436 1 17 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.510 -0.028 17918 10437 1 17 . 1 1 13 13 LYS C C 16 176.034 176.034 175.440 0.594 17918 10438 1 17 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.240 2.926 17918 10439 1 17 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.612 3.182 17918 10440 1 17 . 1 1 13 13 LYS H H 16 9.138 9.138 8.505 0.633 17918 10441 1 17 . 1 1 14 14 PHE N N 17 117.138 117.138 120.215 -3.077 17918 10442 1 17 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.038 0.216 17918 10443 1 17 . 1 1 14 14 PHE C C 17 176.588 176.588 177.401 -0.813 17918 10444 1 17 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.119 2.469 17918 10445 1 17 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.448 -0.089 17918 10446 1 17 . 1 1 14 14 PHE H H 17 8.617 8.617 8.170 0.447 17918 10447 1 17 . 1 1 15 15 SER N N 18 120.047 120.047 116.938 3.109 17918 10448 1 17 . 1 1 15 15 SER HA H 18 4.019 4.019 4.186 -0.167 17918 10449 1 17 . 1 1 15 15 SER C C 18 180.099 180.099 175.859 4.240 17918 10450 1 17 . 1 1 15 15 SER CA C 18 62.865 62.865 61.768 1.097 17918 10451 1 17 . 1 1 15 15 SER CB C 18 64.300 64.300 62.814 1.486 17918 10452 1 17 . 1 1 15 15 SER H H 18 9.437 9.437 9.224 0.213 17918 10453 1 17 . 1 1 16 16 GLY C C 19 175.458 175.458 174.325 1.133 17918 10454 1 17 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.711 1.071 17918 10455 1 17 . 1 1 17 17 SER N N 20 120.550 120.550 114.715 5.835 17918 10456 1 17 . 1 1 17 17 SER HA H 20 3.839 3.839 4.096 -0.257 17918 10457 1 17 . 1 1 17 17 SER C C 20 174.702 174.702 175.288 -0.586 17918 10458 1 17 . 1 1 17 17 SER CA C 20 62.099 62.099 58.184 3.915 17918 10459 1 17 . 1 1 17 17 SER CB C 20 65.081 65.081 63.639 1.442 17918 10460 1 17 . 1 1 17 17 SER H H 20 7.236 7.236 7.266 -0.030 17918 10461 1 17 . 1 1 18 18 ARG N N 21 123.998 123.998 122.069 1.929 17918 10462 1 17 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.042 0.021 17918 10463 1 17 . 1 1 18 18 ARG C C 21 177.005 177.005 176.178 0.827 17918 10464 1 17 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.143 1.452 17918 10465 1 17 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.434 -0.328 17918 10466 1 17 . 1 1 18 18 ARG H H 21 8.544 8.544 8.306 0.238 17918 10467 1 17 . 1 1 19 19 ASN N N 22 116.403 116.403 116.091 0.312 17918 10468 1 17 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.014 0.250 17918 10469 1 17 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.799 0.021 17918 10470 1 17 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.996 0.500 17918 10471 1 17 . 1 1 19 19 ASN H H 22 8.412 8.412 7.728 0.684 17918 10472 1 17 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.611 -0.273 17918 10473 1 17 . 1 1 20 20 PRO C C 23 176.381 176.381 175.270 1.111 17918 10474 1 17 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.465 2.099 17918 10475 1 17 . 1 1 20 20 PRO CB C 23 29.310 29.310 29.894 -0.584 17918 10476 1 17 . 1 1 21 21 VAL N N 24 126.905 126.905 115.147 11.758 17918 10477 1 17 . 1 1 21 21 VAL HA H 24 4.348 4.348 5.011 -0.663 17918 10478 1 17 . 1 1 21 21 VAL C C 24 176.393 176.393 174.227 2.166 17918 10479 1 17 . 1 1 21 21 VAL CA C 24 62.839 62.839 58.963 3.876 17918 10480 1 17 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.355 0.631 17918 10481 1 17 . 1 1 21 21 VAL H H 24 8.810 8.810 7.427 1.383 17918 10482 1 17 . 1 1 22 22 SER N N 25 121.164 121.164 117.089 4.075 17918 10483 1 17 . 1 1 22 22 SER HA H 25 4.296 4.296 4.881 -0.585 17918 10484 1 17 . 1 1 22 22 SER C C 25 178.264 178.264 175.022 3.242 17918 10485 1 17 . 1 1 22 22 SER CA C 25 59.682 59.682 55.645 4.037 17918 10486 1 17 . 1 1 22 22 SER CB C 25 64.553 64.553 65.912 -1.359 17918 10487 1 17 . 1 1 22 22 SER H H 25 8.657 8.657 8.004 0.653 17918 10488 1 17 . 1 1 23 23 ARG N N 26 129.578 129.578 125.329 4.249 17918 10489 1 17 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.985 0.359 17918 10490 1 17 . 1 1 23 23 ARG C C 26 176.541 176.541 177.788 -1.247 17918 10491 1 17 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.880 0.380 17918 10492 1 17 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.148 0.734 17918 10493 1 17 . 1 1 23 23 ARG H H 26 8.837 8.837 8.959 -0.122 17918 10494 1 17 . 1 1 24 24 ARG N N 27 119.514 119.514 116.516 2.998 17918 10495 1 17 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.272 -0.482 17918 10496 1 17 . 1 1 24 24 ARG C C 27 177.905 177.905 177.719 0.186 17918 10497 1 17 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.497 0.319 17918 10498 1 17 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.513 2.551 17918 10499 1 17 . 1 1 24 24 ARG H H 27 7.439 7.439 7.614 -0.175 17918 10500 1 17 . 1 1 25 25 THR N N 28 127.221 127.221 106.543 20.678 17918 10501 1 17 . 1 1 25 25 THR HA H 28 4.258 4.258 4.476 -0.218 17918 10502 1 17 . 1 1 25 25 THR C C 28 177.078 177.078 176.049 1.029 17918 10503 1 17 . 1 1 25 25 THR CA C 28 62.291 62.291 62.052 0.239 17918 10504 1 17 . 1 1 25 25 THR CB C 28 71.224 71.224 71.942 -0.718 17918 10505 1 17 . 1 1 25 25 THR H H 28 7.088 7.088 7.666 -0.578 17918 10506 1 17 . 1 1 26 26 GLY N N 29 110.483 110.483 111.174 -0.691 17918 10507 1 17 . 1 1 26 26 GLY C C 29 174.471 174.471 173.371 1.100 17918 10508 1 17 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.461 1.008 17918 10509 1 17 . 1 1 26 26 GLY H H 29 7.678 7.678 8.762 -1.084 17918 10510 1 17 . 1 1 27 27 ASP N N 30 120.302 120.302 119.380 0.922 17918 10511 1 17 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.824 -0.061 17918 10512 1 17 . 1 1 27 27 ASP C C 30 177.147 177.147 174.796 2.351 17918 10513 1 17 . 1 1 27 27 ASP CA C 30 54.763 54.763 52.995 1.768 17918 10514 1 17 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.593 0.357 17918 10515 1 17 . 1 1 27 27 ASP H H 30 8.128 8.128 7.942 0.186 17918 10516 1 17 . 1 1 28 28 SER N N 31 113.726 113.726 114.805 -1.079 17918 10517 1 17 . 1 1 28 28 SER HA H 31 4.629 4.629 4.833 -0.204 17918 10518 1 17 . 1 1 28 28 SER C C 31 178.127 178.127 174.694 3.433 17918 10519 1 17 . 1 1 28 28 SER CA C 31 58.869 58.869 59.812 -0.943 17918 10520 1 17 . 1 1 28 28 SER CB C 31 64.796 64.796 63.884 0.912 17918 10521 1 17 . 1 1 28 28 SER H H 31 8.633 8.633 8.491 0.142 17918 10522 1 17 . 1 1 29 29 THR N N 32 120.655 120.655 117.536 3.119 17918 10523 1 17 . 1 1 29 29 THR HA H 32 4.589 4.589 4.762 -0.173 17918 10524 1 17 . 1 1 29 29 THR C C 32 176.368 176.368 173.746 2.622 17918 10525 1 17 . 1 1 29 29 THR CA C 32 62.892 62.892 61.131 1.761 17918 10526 1 17 . 1 1 29 29 THR CB C 32 69.624 69.624 68.837 0.787 17918 10527 1 17 . 1 1 29 29 THR H H 32 8.397 8.397 8.794 -0.397 17918 10528 1 17 . 1 1 30 30 ALA N N 33 124.923 124.923 124.426 0.497 17918 10529 1 17 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.301 -0.506 17918 10530 1 17 . 1 1 30 30 ALA C C 33 177.708 177.708 176.744 0.964 17918 10531 1 17 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.941 2.886 17918 10532 1 17 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.314 2.535 17918 10533 1 17 . 1 1 30 30 ALA H H 33 8.251 8.251 8.703 -0.452 17918 10534 1 17 . 1 1 31 31 ASP N N 34 114.016 114.016 117.615 -3.599 17918 10535 1 17 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.675 0.056 17918 10536 1 17 . 1 1 31 31 ASP C C 34 176.973 176.973 176.940 0.033 17918 10537 1 17 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.972 0.609 17918 10538 1 17 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.962 -0.062 17918 10539 1 17 . 1 1 31 31 ASP H H 34 8.398 8.398 8.213 0.185 17918 10540 1 17 . 1 1 32 32 VAL N N 35 123.637 123.637 121.599 2.038 17918 10541 1 17 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.386 -0.126 17918 10542 1 17 . 1 1 32 32 VAL C C 35 177.725 177.725 174.476 3.249 17918 10543 1 17 . 1 1 32 32 VAL CA C 35 63.492 63.492 61.287 2.205 17918 10544 1 17 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.126 -0.369 17918 10545 1 17 . 1 1 32 32 VAL H H 35 7.323 7.323 7.615 -0.292 17918 10546 1 17 . 1 1 33 33 THR N N 36 121.552 121.552 118.224 3.328 17918 10547 1 17 . 1 1 33 33 THR HA H 36 4.642 4.642 4.786 -0.144 17918 10548 1 17 . 1 1 33 33 THR C C 36 176.268 176.268 175.154 1.114 17918 10549 1 17 . 1 1 33 33 THR CA C 36 62.597 62.597 59.559 3.038 17918 10550 1 17 . 1 1 33 33 THR CB C 36 72.388 72.388 71.612 0.776 17918 10551 1 17 . 1 1 33 33 THR H H 36 9.078 9.078 7.942 1.136 17918 10552 1 17 . 1 1 34 34 TYR N N 37 122.486 122.486 120.528 1.958 17918 10553 1 17 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.511 -0.077 17918 10554 1 17 . 1 1 34 34 TYR C C 37 177.216 177.216 176.980 0.236 17918 10555 1 17 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.989 2.053 17918 10556 1 17 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.742 2.752 17918 10557 1 17 . 1 1 34 34 TYR H H 37 9.247 9.247 8.814 0.433 17918 10558 1 17 . 1 1 35 35 GLU N N 38 116.626 116.626 119.116 -2.490 17918 10559 1 17 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.455 0.224 17918 10560 1 17 . 1 1 35 35 GLU C C 38 180.453 180.453 178.595 1.858 17918 10561 1 17 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.650 1.795 17918 10562 1 17 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.172 1.987 17918 10563 1 17 . 1 1 35 35 GLU H H 38 8.782 8.782 8.053 0.729 17918 10564 1 17 . 1 1 36 36 ASP N N 39 120.670 120.670 119.902 0.768 17918 10565 1 17 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.280 0.092 17918 10566 1 17 . 1 1 36 36 ASP C C 39 180.015 180.015 178.248 1.767 17918 10567 1 17 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.118 1.101 17918 10568 1 17 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.840 0.394 17918 10569 1 17 . 1 1 36 36 ASP H H 39 7.916 7.916 7.452 0.464 17918 10570 1 17 . 1 1 37 37 ALA N N 40 126.126 126.126 121.931 4.195 17918 10571 1 17 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.045 -0.205 17918 10572 1 17 . 1 1 37 37 ALA C C 40 179.923 179.923 179.511 0.412 17918 10573 1 17 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.296 1.049 17918 10574 1 17 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.810 1.043 17918 10575 1 17 . 1 1 37 37 ALA H H 40 8.318 8.318 8.048 0.270 17918 10576 1 17 . 1 1 38 38 ILE N N 41 118.850 118.850 118.752 0.098 17918 10577 1 17 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.563 -0.095 17918 10578 1 17 . 1 1 38 38 ILE C C 41 179.106 179.106 178.126 0.980 17918 10579 1 17 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.104 -0.725 17918 10580 1 17 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.808 -0.517 17918 10581 1 17 . 1 1 38 38 ILE H H 41 8.151 8.151 8.031 0.120 17918 10582 1 17 . 1 1 39 39 LYS N N 42 120.585 120.585 118.574 2.011 17918 10583 1 17 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.845 0.139 17918 10584 1 17 . 1 1 39 39 LYS C C 42 180.883 180.883 178.660 2.223 17918 10585 1 17 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.994 0.891 17918 10586 1 17 . 1 1 39 39 LYS CB C 42 33.541 33.541 31.954 1.587 17918 10587 1 17 . 1 1 39 39 LYS H H 42 7.519 7.519 8.124 -0.605 17918 10588 1 17 . 1 1 40 40 GLU N N 43 121.167 121.167 120.197 0.970 17918 10589 1 17 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.005 0.311 17918 10590 1 17 . 1 1 40 40 GLU C C 43 179.969 179.969 178.880 1.089 17918 10591 1 17 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.409 0.597 17918 10592 1 17 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.556 1.185 17918 10593 1 17 . 1 1 40 40 GLU H H 43 7.911 7.911 7.683 0.228 17918 10594 1 17 . 1 1 41 41 LEU N N 44 121.081 121.081 120.103 0.978 17918 10595 1 17 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.201 -0.010 17918 10596 1 17 . 1 1 41 41 LEU C C 44 180.778 180.778 179.891 0.887 17918 10597 1 17 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.435 0.498 17918 10598 1 17 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.568 1.317 17918 10599 1 17 . 1 1 41 41 LEU H H 44 8.424 8.424 7.720 0.704 17918 10600 1 17 . 1 1 42 42 GLN N N 45 121.129 121.129 119.450 1.679 17918 10601 1 17 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.195 -0.166 17918 10602 1 17 . 1 1 42 42 GLN C C 45 179.911 179.911 178.853 1.058 17918 10603 1 17 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.347 2.012 17918 10604 1 17 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.419 0.603 17918 10605 1 17 . 1 1 42 42 GLN H H 45 8.971 8.971 8.340 0.631 17918 10606 1 17 . 1 1 43 43 LYS N N 46 121.830 121.830 120.997 0.833 17918 10607 1 17 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.998 0.009 17918 10608 1 17 . 1 1 43 43 LYS C C 46 180.898 180.898 178.892 2.006 17918 10609 1 17 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.499 1.145 17918 10610 1 17 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.135 0.329 17918 10611 1 17 . 1 1 43 43 LYS H H 46 7.769 7.769 7.786 -0.017 17918 10612 1 17 . 1 1 44 44 TRP N N 47 119.737 119.737 120.921 -1.184 17918 10613 1 17 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.213 -0.257 17918 10614 1 17 . 1 1 44 44 TRP C C 47 179.173 179.173 178.198 0.975 17918 10615 1 17 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.020 3.026 17918 10616 1 17 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.642 -0.027 17918 10617 1 17 . 1 1 44 44 TRP H H 47 8.002 8.002 8.572 -0.570 17918 10618 1 17 . 1 1 45 45 SER N N 48 114.940 114.940 113.882 1.058 17918 10619 1 17 . 1 1 45 45 SER HA H 48 4.072 4.072 4.005 0.067 17918 10620 1 17 . 1 1 45 45 SER C C 48 178.249 178.249 177.027 1.222 17918 10621 1 17 . 1 1 45 45 SER CA C 48 63.707 63.707 61.728 1.979 17918 10622 1 17 . 1 1 45 45 SER H H 48 8.901 8.901 8.706 0.195 17918 10623 1 17 . 1 1 46 46 GLN N N 49 121.411 121.411 122.686 -1.275 17918 10624 1 17 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.026 0.171 17918 10625 1 17 . 1 1 46 46 GLN C C 49 179.809 179.809 178.061 1.748 17918 10626 1 17 . 1 1 46 46 GLN CA C 49 59.859 59.859 59.095 0.764 17918 10627 1 17 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.625 0.569 17918 10628 1 17 . 1 1 46 46 GLN H H 49 7.950 7.950 7.631 0.319 17918 10629 1 17 . 1 1 47 47 ARG N N 50 121.809 121.809 119.882 1.927 17918 10630 1 17 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.287 -0.236 17918 10631 1 17 . 1 1 47 47 ARG C C 50 179.464 179.464 179.296 0.168 17918 10632 1 17 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.649 1.398 17918 10633 1 17 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.429 1.564 17918 10634 1 17 . 1 1 47 47 ARG H H 50 7.834 7.834 7.897 -0.063 17918 10635 1 17 . 1 1 48 48 ILE N N 51 120.569 120.569 118.476 2.093 17918 10636 1 17 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.178 0.310 17918 10637 1 17 . 1 1 48 48 ILE C C 51 181.848 181.848 178.030 3.818 17918 10638 1 17 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.622 -0.059 17918 10639 1 17 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.886 2.807 17918 10640 1 17 . 1 1 48 48 ILE H H 51 8.127 8.127 8.665 -0.538 17918 10641 1 17 . 1 1 49 49 ALA N N 52 124.538 124.538 120.989 3.549 17918 10642 1 17 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.166 0.043 17918 10643 1 17 . 1 1 49 49 ALA C C 52 181.120 181.120 178.721 2.399 17918 10644 1 17 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.148 2.271 17918 10645 1 17 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.190 0.226 17918 10646 1 17 . 1 1 49 49 ALA H H 52 8.526 8.526 7.545 0.981 17918 10647 1 17 . 1 1 50 50 SER N N 53 111.097 111.097 113.711 -2.614 17918 10648 1 17 . 1 1 50 50 SER HA H 53 4.428 4.428 4.355 0.073 17918 10649 1 17 . 1 1 50 50 SER C C 53 176.608 176.608 176.181 0.427 17918 10650 1 17 . 1 1 50 50 SER CA C 53 60.248 60.248 59.420 0.827 17918 10651 1 17 . 1 1 50 50 SER CB C 53 65.098 65.098 64.567 0.531 17918 10652 1 17 . 1 1 50 50 SER H H 53 8.124 8.124 8.402 -0.278 17918 10653 1 17 . 1 1 51 51 GLY N N 54 110.581 110.581 109.459 1.122 17918 10654 1 17 . 1 1 51 51 GLY C C 54 175.699 175.699 175.075 0.624 17918 10655 1 17 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.833 1.598 17918 10656 1 17 . 1 1 51 51 GLY H H 54 7.904 7.904 8.297 -0.393 17918 10657 1 17 . 1 1 52 52 GLU N N 55 122.231 122.231 120.600 1.631 17918 10658 1 17 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.075 -0.072 17918 10659 1 17 . 1 1 52 52 GLU C C 55 177.647 177.647 176.854 0.793 17918 10660 1 17 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.714 1.375 17918 10661 1 17 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.185 1.438 17918 10662 1 17 . 1 1 52 52 GLU H H 55 8.204 8.204 8.025 0.179 17918 10663 1 17 . 1 1 53 53 VAL N N 56 111.615 111.615 111.082 0.533 17918 10664 1 17 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.497 0.082 17918 10665 1 17 . 1 1 53 53 VAL C C 56 175.225 175.225 174.658 0.567 17918 10666 1 17 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.815 -0.131 17918 10667 1 17 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.917 0.616 17918 10668 1 17 . 1 1 53 53 VAL H H 56 7.274 7.274 7.420 -0.146 17918 10669 1 17 . 1 1 54 54 SER N N 57 119.532 119.532 114.092 5.440 17918 10670 1 17 . 1 1 54 54 SER HA H 57 4.692 4.692 4.746 -0.054 17918 10671 1 17 . 1 1 54 54 SER C C 57 176.092 176.092 175.437 0.655 17918 10672 1 17 . 1 1 54 54 SER CA C 57 58.189 58.189 57.111 1.077 17918 10673 1 17 . 1 1 54 54 SER CB C 57 66.447 66.447 65.159 1.288 17918 10674 1 17 . 1 1 54 54 SER H H 57 8.637 8.637 8.144 0.493 17918 10675 1 17 . 1 1 55 55 PHE N N 58 123.609 123.609 121.883 1.726 17918 10676 1 17 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.275 -0.621 17918 10677 1 17 . 1 1 55 55 PHE C C 58 177.469 177.469 176.809 0.660 17918 10678 1 17 . 1 1 55 55 PHE CA C 58 63.857 63.857 60.571 3.286 17918 10679 1 17 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.828 2.138 17918 10680 1 17 . 1 1 55 55 PHE H H 58 9.326 9.326 8.973 0.353 17918 10681 1 17 . 1 1 56 56 GLU N N 59 116.994 116.994 118.479 -1.485 17918 10682 1 17 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.240 -0.035 17918 10683 1 17 . 1 1 56 56 GLU C C 59 180.852 180.852 178.996 1.856 17918 10684 1 17 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.902 1.465 17918 10685 1 17 . 1 1 56 56 GLU CB C 59 29.830 29.830 29.200 0.630 17918 10686 1 17 . 1 1 56 56 GLU H H 59 9.464 9.464 8.776 0.688 17918 10687 1 17 . 1 1 57 57 GLU N N 60 122.452 122.452 119.387 3.065 17918 10688 1 17 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.069 -0.046 17918 10689 1 17 . 1 1 57 57 GLU C C 60 179.899 179.899 178.268 1.631 17918 10690 1 17 . 1 1 57 57 GLU CA C 60 60.013 60.013 59.121 0.892 17918 10691 1 17 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.069 2.116 17918 10692 1 17 . 1 1 57 57 GLU H H 60 7.978 7.978 7.839 0.139 17918 10693 1 17 . 1 1 58 58 ALA N N 61 123.053 123.053 121.650 1.403 17918 10694 1 17 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.186 0.395 17918 10695 1 17 . 1 1 58 58 ALA C C 61 179.854 179.854 179.299 0.555 17918 10696 1 17 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.187 1.694 17918 10697 1 17 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.436 2.624 17918 10698 1 17 . 1 1 58 58 ALA H H 61 8.157 8.157 7.118 1.039 17918 10699 1 17 . 1 1 59 59 ALA N N 62 120.029 120.029 120.290 -0.261 17918 10700 1 17 . 1 1 59 59 ALA HA H 62 3.552 3.552 4.017 -0.465 17918 10701 1 17 . 1 1 59 59 ALA C C 62 181.080 181.080 179.842 1.238 17918 10702 1 17 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.013 1.405 17918 10703 1 17 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.459 -0.417 17918 10704 1 17 . 1 1 59 59 ALA H H 62 8.540 8.540 8.532 0.008 17918 10705 1 17 . 1 1 60 60 SER N N 63 113.010 113.010 111.443 1.567 17918 10706 1 17 . 1 1 60 60 SER HA H 63 4.766 4.766 4.359 0.407 17918 10707 1 17 . 1 1 60 60 SER C C 63 176.299 176.299 175.777 0.522 17918 10708 1 17 . 1 1 60 60 SER CA C 63 62.414 62.414 61.476 0.938 17918 10709 1 17 . 1 1 60 60 SER CB C 63 64.687 64.687 63.507 1.180 17918 10710 1 17 . 1 1 60 60 SER H H 63 8.013 8.013 7.818 0.195 17918 10711 1 17 . 1 1 61 61 GLN N N 64 115.830 115.830 115.610 0.220 17918 10712 1 17 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.401 -0.271 17918 10713 1 17 . 1 1 61 61 GLN C C 64 178.579 178.579 176.913 1.666 17918 10714 1 17 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.182 1.183 17918 10715 1 17 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.624 1.752 17918 10716 1 17 . 1 1 61 61 GLN H H 64 7.496 7.496 7.462 0.034 17918 10717 1 17 . 1 1 62 62 ARG N N 65 115.716 115.716 117.883 -2.167 17918 10718 1 17 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.547 -0.086 17918 10719 1 17 . 1 1 62 62 ARG C C 65 176.601 176.601 176.736 -0.135 17918 10720 1 17 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.011 -2.380 17918 10721 1 17 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.098 1.558 17918 10722 1 17 . 1 1 62 62 ARG H H 65 7.693 7.693 8.589 -0.896 17918 10723 1 17 . 1 1 63 63 SER N N 66 114.680 114.680 116.188 -1.508 17918 10724 1 17 . 1 1 63 63 SER HA H 66 4.222 4.222 4.627 -0.405 17918 10725 1 17 . 1 1 63 63 SER C C 66 177.034 177.034 174.954 2.080 17918 10726 1 17 . 1 1 63 63 SER CA C 66 59.677 59.677 58.338 1.339 17918 10727 1 17 . 1 1 63 63 SER CB C 66 65.786 65.786 63.247 2.539 17918 10728 1 17 . 1 1 63 63 SER H H 66 8.528 8.528 7.627 0.901 17918 10729 1 17 . 1 1 64 64 ASP N N 67 123.612 123.612 125.563 -1.951 17918 10730 1 17 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.303 0.596 17918 10731 1 17 . 1 1 64 64 ASP C C 67 176.674 176.674 176.974 -0.300 17918 10732 1 17 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.364 -0.373 17918 10733 1 17 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.255 2.402 17918 10734 1 17 . 1 1 64 64 ASP H H 67 9.645 9.645 8.906 0.739 17918 10735 1 17 . 1 1 65 65 CYS N N 68 124.716 124.716 117.684 7.032 17918 10736 1 17 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.472 -0.027 17918 10737 1 17 . 1 1 65 65 CYS C C 68 177.747 177.747 177.269 0.478 17918 10738 1 17 . 1 1 65 65 CYS CA C 68 60.118 60.118 60.722 -0.604 17918 10739 1 17 . 1 1 65 65 CYS CB C 68 30.459 30.459 28.682 1.777 17918 10740 1 17 . 1 1 65 65 CYS H H 68 7.903 7.903 7.952 -0.049 17918 10741 1 17 . 1 1 66 66 GLY N N 69 118.503 118.503 110.624 7.879 17918 10742 1 17 . 1 1 66 66 GLY C C 69 175.872 175.872 175.676 0.196 17918 10743 1 17 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.358 1.584 17918 10744 1 17 . 1 1 66 66 GLY H H 69 8.811 8.811 9.051 -0.240 17918 10745 1 17 . 1 1 67 67 SER N N 70 120.316 120.316 118.259 2.057 17918 10746 1 17 . 1 1 67 67 SER HA H 70 4.245 4.245 4.161 0.084 17918 10747 1 17 . 1 1 67 67 SER C C 70 178.404 178.404 176.078 2.326 17918 10748 1 17 . 1 1 67 67 SER CA C 70 61.611 61.611 60.471 1.139 17918 10749 1 17 . 1 1 67 67 SER CB C 70 64.297 64.297 62.389 1.908 17918 10750 1 17 . 1 1 67 67 SER H H 70 9.556 9.556 8.431 1.125 17918 10751 1 17 . 1 1 68 68 TYR N N 71 129.376 129.376 122.142 7.234 17918 10752 1 17 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.333 -0.302 17918 10753 1 17 . 1 1 68 68 TYR C C 71 177.613 177.613 177.357 0.256 17918 10754 1 17 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.208 3.184 17918 10755 1 17 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.674 0.123 17918 10756 1 17 . 1 1 68 68 TYR H H 71 8.584 8.584 8.452 0.132 17918 10757 1 17 . 1 1 69 69 ALA N N 72 122.673 122.673 121.748 0.925 17918 10758 1 17 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.784 -0.139 17918 10759 1 17 . 1 1 69 69 ALA C C 72 179.011 179.011 177.610 1.401 17918 10760 1 17 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.489 0.801 17918 10761 1 17 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.150 0.971 17918 10762 1 17 . 1 1 69 69 ALA H H 72 5.645 5.645 7.323 -1.678 17918 10763 1 17 . 1 1 70 70 SER N N 73 114.496 114.496 111.913 2.583 17918 10764 1 17 . 1 1 70 70 SER HA H 73 4.782 4.782 4.509 0.273 17918 10765 1 17 . 1 1 70 70 SER C C 73 177.320 177.320 175.054 2.266 17918 10766 1 17 . 1 1 70 70 SER CA C 73 57.287 57.287 56.960 0.327 17918 10767 1 17 . 1 1 70 70 SER CB C 73 64.538 64.538 64.125 0.413 17918 10768 1 17 . 1 1 70 70 SER H H 73 7.654 7.654 7.397 0.257 17918 10769 1 17 . 1 1 71 71 GLY N N 74 112.182 112.182 108.749 3.433 17918 10770 1 17 . 1 1 71 71 GLY C C 74 174.379 174.379 175.185 -0.806 17918 10771 1 17 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.190 3.244 17918 10772 1 17 . 1 1 71 71 GLY H H 74 7.933 7.933 7.513 0.420 17918 10773 1 17 . 1 1 72 72 GLY N N 75 126.463 126.463 109.003 17.460 17918 10774 1 17 . 1 1 72 72 GLY C C 75 175.121 175.121 172.801 2.320 17918 10775 1 17 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.249 0.823 17918 10776 1 17 . 1 1 72 72 GLY H H 75 7.994 7.994 8.442 -0.448 17918 10777 1 17 . 1 1 73 73 ASP N N 76 118.815 118.815 120.314 -1.499 17918 10778 1 17 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.576 -0.162 17918 10779 1 17 . 1 1 73 73 ASP C C 76 177.362 177.362 174.709 2.653 17918 10780 1 17 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.600 2.523 17918 10781 1 17 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.875 -0.424 17918 10782 1 17 . 1 1 73 73 ASP H H 76 6.956 6.956 7.763 -0.807 17918 10783 1 17 . 1 1 74 74 LEU N N 77 128.720 128.720 124.285 4.435 17918 10784 1 17 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.593 -0.238 17918 10785 1 17 . 1 1 74 74 LEU C C 77 179.412 179.412 177.541 1.871 17918 10786 1 17 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.485 2.649 17918 10787 1 17 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.364 1.478 17918 10788 1 17 . 1 1 74 74 LEU H H 77 8.694 8.694 8.518 0.176 17918 10789 1 17 . 1 1 75 75 GLY N N 78 109.695 109.695 107.914 1.781 17918 10790 1 17 . 1 1 75 75 GLY C C 78 173.473 173.473 174.867 -1.394 17918 10791 1 17 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.226 0.120 17918 10792 1 17 . 1 1 75 75 GLY H H 78 8.682 8.682 7.673 1.009 17918 10793 1 17 . 1 1 76 76 PHE N N 79 115.646 115.646 115.374 0.272 17918 10794 1 17 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.939 1.280 17918 10795 1 17 . 1 1 76 76 PHE C C 79 178.904 178.904 174.528 4.376 17918 10796 1 17 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.790 -0.334 17918 10797 1 17 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.860 3.957 17918 10798 1 17 . 1 1 76 76 PHE H H 79 8.203 8.203 7.438 0.765 17918 10799 1 17 . 1 1 77 77 PHE N N 80 119.508 119.508 117.420 2.088 17918 10800 1 17 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.058 0.079 17918 10801 1 17 . 1 1 77 77 PHE C C 80 174.331 174.331 174.585 -0.254 17918 10802 1 17 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.247 1.649 17918 10803 1 17 . 1 1 77 77 PHE CB C 80 42.463 42.463 40.729 1.734 17918 10804 1 17 . 1 1 77 77 PHE H H 80 9.112 9.112 8.597 0.515 17918 10805 1 17 . 1 1 78 78 SER N N 81 116.578 116.578 116.910 -0.332 17918 10806 1 17 . 1 1 78 78 SER HA H 81 4.957 4.957 4.632 0.325 17918 10807 1 17 . 1 1 78 78 SER C C 81 176.191 176.191 175.325 0.866 17918 10808 1 17 . 1 1 78 78 SER CA C 81 58.065 58.065 58.503 -0.438 17918 10809 1 17 . 1 1 78 78 SER CB C 81 66.514 66.514 63.596 2.918 17918 10810 1 17 . 1 1 78 78 SER H H 81 8.930 8.930 8.571 0.359 17918 10811 1 17 . 1 1 79 79 SER N N 82 118.715 118.715 118.877 -0.162 17918 10812 1 17 . 1 1 79 79 SER HA H 82 4.420 4.420 4.429 -0.009 17918 10813 1 17 . 1 1 79 79 SER C C 82 176.946 176.946 175.220 1.726 17918 10814 1 17 . 1 1 79 79 SER CA C 82 60.988 60.988 60.421 0.567 17918 10815 1 17 . 1 1 79 79 SER CB C 82 64.242 64.242 63.397 0.845 17918 10816 1 17 . 1 1 79 79 SER H H 82 8.751 8.751 8.814 -0.063 17918 10817 1 17 . 1 1 80 80 GLY N N 83 117.069 117.069 106.811 10.258 17918 10818 1 17 . 1 1 80 80 GLY C C 83 175.628 175.628 173.531 2.097 17918 10819 1 17 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.834 1.798 17918 10820 1 17 . 1 1 80 80 GLY H H 83 10.009 10.009 7.845 2.164 17918 10821 1 17 . 1 1 81 81 GLU N N 84 120.322 120.322 121.940 -1.618 17918 10822 1 17 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.316 -0.085 17918 10823 1 17 . 1 1 81 81 GLU C C 84 178.456 178.456 176.526 1.930 17918 10824 1 17 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.722 3.005 17918 10825 1 17 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.448 2.273 17918 10826 1 17 . 1 1 81 81 GLU H H 84 7.812 7.812 8.027 -0.215 17918 10827 1 17 . 1 1 82 82 MET N N 85 117.156 117.156 117.003 0.153 17918 10828 1 17 . 1 1 82 82 MET HA H 85 4.569 4.569 4.520 0.049 17918 10829 1 17 . 1 1 82 82 MET C C 85 176.991 176.991 175.676 1.315 17918 10830 1 17 . 1 1 82 82 MET CA C 85 53.174 53.174 54.408 -1.234 17918 10831 1 17 . 1 1 82 82 MET CB C 85 34.386 34.386 33.361 1.025 17918 10832 1 17 . 1 1 82 82 MET H H 85 8.601 8.601 7.641 0.960 17918 10833 1 17 . 1 1 83 83 MET N N 86 119.413 119.413 119.862 -0.449 17918 10834 1 17 . 1 1 83 83 MET HA H 86 4.273 4.273 4.495 -0.222 17918 10835 1 17 . 1 1 83 83 MET C C 86 178.979 178.979 177.813 1.166 17918 10836 1 17 . 1 1 83 83 MET CA C 86 58.320 58.320 55.095 3.225 17918 10837 1 17 . 1 1 83 83 MET CB C 86 34.339 34.339 33.072 1.267 17918 10838 1 17 . 1 1 83 83 MET H H 86 8.413 8.413 8.149 0.264 17918 10839 1 17 . 1 1 84 84 LYS N N 87 126.834 126.834 124.476 2.358 17918 10840 1 17 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.011 0.729 17918 10841 1 17 . 1 1 84 84 LYS C C 87 175.267 175.267 176.741 -1.474 17918 10842 1 17 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.698 0.763 17918 10843 1 17 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.351 1.084 17918 10844 1 17 . 1 1 84 84 LYS H H 87 9.099 9.099 8.898 0.201 17918 10845 1 17 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.303 0.162 17918 10846 1 17 . 1 1 85 85 PRO C C 88 180.671 180.671 178.712 1.959 17918 10847 1 17 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.547 1.196 17918 10848 1 17 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.612 0.644 17918 10849 1 17 . 1 1 86 86 PHE N N 89 116.583 116.583 119.208 -2.625 17918 10850 1 17 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.126 -0.479 17918 10851 1 17 . 1 1 86 86 PHE C C 89 177.086 177.086 177.116 -0.030 17918 10852 1 17 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.739 0.745 17918 10853 1 17 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.318 2.192 17918 10854 1 17 . 1 1 86 86 PHE H H 89 7.102 7.102 7.830 -0.728 17918 10855 1 17 . 1 1 87 87 GLU N N 90 120.506 120.506 120.131 0.375 17918 10856 1 17 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.751 -0.027 17918 10857 1 17 . 1 1 87 87 GLU C C 90 179.102 179.102 178.715 0.387 17918 10858 1 17 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.361 2.496 17918 10859 1 17 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.136 1.648 17918 10860 1 17 . 1 1 87 87 GLU H H 90 8.126 8.126 8.796 -0.670 17918 10861 1 17 . 1 1 88 88 ASP N N 91 118.355 118.355 118.900 -0.545 17918 10862 1 17 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.364 -0.129 17918 10863 1 17 . 1 1 88 88 ASP C C 91 180.067 180.067 178.162 1.905 17918 10864 1 17 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.395 0.909 17918 10865 1 17 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.779 0.247 17918 10866 1 17 . 1 1 88 88 ASP H H 91 9.121 9.121 8.475 0.646 17918 10867 1 17 . 1 1 89 89 ALA N N 92 121.718 121.718 121.039 0.679 17918 10868 1 17 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.122 -0.050 17918 10869 1 17 . 1 1 89 89 ALA C C 92 181.131 181.131 179.495 1.636 17918 10870 1 17 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.805 1.040 17918 10871 1 17 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.344 1.755 17918 10872 1 17 . 1 1 89 89 ALA H H 92 7.154 7.154 7.312 -0.158 17918 10873 1 17 . 1 1 90 90 VAL N N 93 117.315 117.315 117.887 -0.572 17918 10874 1 17 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.623 -0.208 17918 10875 1 17 . 1 1 90 90 VAL C C 93 178.908 178.908 178.044 0.864 17918 10876 1 17 . 1 1 90 90 VAL CA C 93 67.754 67.754 65.981 1.773 17918 10877 1 17 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.370 0.979 17918 10878 1 17 . 1 1 90 90 VAL H H 93 7.797 7.797 7.030 0.767 17918 10879 1 17 . 1 1 91 91 ARG N N 94 116.826 116.826 118.578 -1.752 17918 10880 1 17 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.095 -0.241 17918 10881 1 17 . 1 1 91 91 ARG C C 94 177.858 177.858 177.512 0.346 17918 10882 1 17 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.568 1.899 17918 10883 1 17 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.651 1.437 17918 10884 1 17 . 1 1 91 91 ARG H H 94 8.154 8.154 7.847 0.307 17918 10885 1 17 . 1 1 92 92 ALA N N 95 118.849 118.849 120.627 -1.778 17918 10886 1 17 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.228 0.065 17918 10887 1 17 . 1 1 92 92 ALA C C 95 178.452 178.452 177.800 0.652 17918 10888 1 17 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.601 -0.124 17918 10889 1 17 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.208 0.939 17918 10890 1 17 . 1 1 92 92 ALA H H 95 7.067 7.067 7.513 -0.446 17918 10891 1 17 . 1 1 93 93 LEU N N 96 120.871 120.871 114.698 6.173 17918 10892 1 17 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.626 -0.112 17918 10893 1 17 . 1 1 93 93 LEU C C 96 179.045 179.045 175.529 3.516 17918 10894 1 17 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.033 2.130 17918 10895 1 17 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.897 2.035 17918 10896 1 17 . 1 1 93 93 LEU H H 96 7.396 7.396 7.295 0.101 17918 10897 1 17 . 1 1 94 94 LYS N N 97 121.289 121.289 120.227 1.062 17918 10898 1 17 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.485 -0.077 17918 10899 1 17 . 1 1 94 94 LYS C C 97 178.629 178.629 176.798 1.831 17918 10900 1 17 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.164 2.130 17918 10901 1 17 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.111 -0.716 17918 10902 1 17 . 1 1 94 94 LYS H H 97 8.274 8.274 8.280 -0.006 17918 10903 1 17 . 1 1 95 95 ILE N N 98 122.343 122.343 124.001 -1.658 17918 10904 1 17 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.660 -0.595 17918 10905 1 17 . 1 1 95 95 ILE C C 98 178.406 178.406 177.055 1.351 17918 10906 1 17 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.609 2.685 17918 10907 1 17 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.951 1.211 17918 10908 1 17 . 1 1 95 95 ILE H H 98 8.396 8.396 8.581 -0.185 17918 10909 1 17 . 1 1 96 96 GLY N N 99 118.074 118.074 116.247 1.827 17918 10910 1 17 . 1 1 96 96 GLY C C 99 174.605 174.605 174.472 0.133 17918 10911 1 17 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.524 1.649 17918 10912 1 17 . 1 1 96 96 GLY H H 99 8.988 8.988 8.816 0.172 17918 10913 1 17 . 1 1 97 97 ASP N N 100 121.984 121.984 121.605 0.379 17918 10914 1 17 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.890 -0.095 17918 10915 1 17 . 1 1 97 97 ASP C C 100 175.344 175.344 175.424 -0.080 17918 10916 1 17 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.854 0.183 17918 10917 1 17 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.686 1.267 17918 10918 1 17 . 1 1 97 97 ASP H H 100 7.978 7.978 8.639 -0.661 17918 10919 1 17 . 1 1 98 98 ILE N N 101 117.483 117.483 119.845 -2.362 17918 10920 1 17 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.620 0.540 17918 10921 1 17 . 1 1 98 98 ILE C C 101 178.147 178.147 175.904 2.243 17918 10922 1 17 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.546 0.790 17918 10923 1 17 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.337 0.957 17918 10924 1 17 . 1 1 98 98 ILE H H 101 8.048 8.048 8.268 -0.220 17918 10925 1 17 . 1 1 99 99 SER N N 102 126.778 126.778 125.071 1.707 17918 10926 1 17 . 1 1 99 99 SER HA H 102 4.526 4.526 4.984 -0.458 17918 10927 1 17 . 1 1 99 99 SER C C 102 172.735 172.735 173.010 -0.275 17918 10928 1 17 . 1 1 99 99 SER CA C 102 59.441 59.441 56.338 3.103 17918 10929 1 17 . 1 1 99 99 SER CB C 102 64.572 64.572 63.511 1.061 17918 10930 1 17 . 1 1 99 99 SER H H 102 9.722 9.722 9.095 0.627 17918 10931 1 17 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.523 0.296 17918 10932 1 17 . 1 1 100 100 PRO C C 103 176.647 176.647 176.706 -0.059 17918 10933 1 17 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.473 0.655 17918 10934 1 17 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.408 1.031 17918 10935 1 17 . 1 1 101 101 ILE N N 104 120.048 120.048 119.161 0.887 17918 10936 1 17 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.294 0.013 17918 10937 1 17 . 1 1 101 101 ILE C C 104 178.021 178.021 176.087 1.934 17918 10938 1 17 . 1 1 101 101 ILE CA C 104 65.141 65.141 60.633 4.508 17918 10939 1 17 . 1 1 101 101 ILE CB C 104 38.970 38.970 36.964 2.006 17918 10940 1 17 . 1 1 101 101 ILE H H 104 8.199 8.199 8.256 -0.057 17918 10941 1 17 . 1 1 102 102 VAL N N 105 130.676 130.676 128.743 1.933 17918 10942 1 17 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.388 -0.031 17918 10943 1 17 . 1 1 102 102 VAL C C 105 175.118 175.118 174.894 0.224 17918 10944 1 17 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.158 0.649 17918 10945 1 17 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.318 4.065 17918 10946 1 17 . 1 1 102 102 VAL H H 105 9.285 9.285 9.264 0.021 17918 10947 1 17 . 1 1 103 103 GLN N N 106 128.464 128.464 128.292 0.172 17918 10948 1 17 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.790 0.659 17918 10949 1 17 . 1 1 103 103 GLN C C 106 176.704 176.704 175.892 0.812 17918 10950 1 17 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.682 -0.622 17918 10951 1 17 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.166 1.866 17918 10952 1 17 . 1 1 103 103 GLN H H 106 8.900 8.900 8.839 0.061 17918 10953 1 17 . 1 1 104 104 THR N N 107 116.680 116.680 119.429 -2.749 17918 10954 1 17 . 1 1 104 104 THR HA H 107 4.978 4.978 4.665 0.313 17918 10955 1 17 . 1 1 104 104 THR C C 107 177.189 177.189 174.355 2.834 17918 10956 1 17 . 1 1 104 104 THR CA C 107 61.836 61.836 60.397 1.439 17918 10957 1 17 . 1 1 104 104 THR CB C 107 73.663 73.663 70.555 3.108 17918 10958 1 17 . 1 1 104 104 THR H H 107 9.275 9.275 8.953 0.322 17918 10959 1 17 . 1 1 105 105 ASP N N 108 119.651 119.651 120.385 -0.734 17918 10960 1 17 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.355 0.223 17918 10961 1 17 . 1 1 105 105 ASP C C 108 179.034 179.034 176.805 2.229 17918 10962 1 17 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.792 1.163 17918 10963 1 17 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.484 1.532 17918 10964 1 17 . 1 1 105 105 ASP H H 108 8.945 8.945 8.759 0.186 17918 10965 1 17 . 1 1 106 106 SER N N 109 114.257 114.257 114.719 -0.462 17918 10966 1 17 . 1 1 106 106 SER HA H 109 4.642 4.642 4.375 0.267 17918 10967 1 17 . 1 1 106 106 SER C C 109 177.224 177.224 174.157 3.067 17918 10968 1 17 . 1 1 106 106 SER CA C 109 62.788 62.788 59.515 3.273 17918 10969 1 17 . 1 1 106 106 SER CB C 109 64.767 64.767 64.062 0.705 17918 10970 1 17 . 1 1 106 106 SER H H 109 8.968 8.968 8.297 0.671 17918 10971 1 17 . 1 1 107 107 GLY N N 110 111.288 111.288 107.115 4.173 17918 10972 1 17 . 1 1 107 107 GLY C C 110 169.468 169.468 172.294 -2.826 17918 10973 1 17 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.366 1.332 17918 10974 1 17 . 1 1 107 107 GLY H H 110 7.829 7.829 7.877 -0.048 17918 10975 1 17 . 1 1 108 108 LEU N N 111 122.506 122.506 122.108 0.398 17918 10976 1 17 . 1 1 108 108 LEU HA H 111 5.371 5.371 4.902 0.469 17918 10977 1 17 . 1 1 108 108 LEU C C 111 175.948 175.948 175.435 0.513 17918 10978 1 17 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.262 0.014 17918 10979 1 17 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.457 1.318 17918 10980 1 17 . 1 1 108 108 LEU H H 111 8.143 8.143 8.693 -0.550 17918 10981 1 17 . 1 1 109 109 HIS N N 112 119.518 119.518 122.970 -3.452 17918 10982 1 17 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.935 0.160 17918 10983 1 17 . 1 1 109 109 HIS C C 112 179.186 179.186 174.817 4.369 17918 10984 1 17 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.879 0.501 17918 10985 1 17 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.664 0.174 17918 10986 1 17 . 1 1 109 109 HIS H H 112 9.764 9.764 9.046 0.718 17918 10987 1 17 . 1 1 110 110 ILE N N 113 113.128 113.128 119.450 -6.322 17918 10988 1 17 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.984 -0.525 17918 10989 1 17 . 1 1 110 110 ILE C C 113 176.666 176.666 174.219 2.447 17918 10990 1 17 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.635 4.802 17918 10991 1 17 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.609 2.127 17918 10992 1 17 . 1 1 110 110 ILE H H 113 8.117 8.117 8.718 -0.601 17918 10993 1 17 . 1 1 111 111 ILE N N 114 125.121 125.121 121.144 3.977 17918 10994 1 17 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.320 -0.550 17918 10995 1 17 . 1 1 111 111 ILE C C 114 173.792 173.792 174.813 -1.021 17918 10996 1 17 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.787 2.197 17918 10997 1 17 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.135 1.548 17918 10998 1 17 . 1 1 111 111 ILE H H 114 8.604 8.604 8.738 -0.134 17918 10999 1 17 . 1 1 112 112 LYS N N 115 127.966 127.966 123.206 4.760 17918 11000 1 17 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.373 -0.200 17918 11001 1 17 . 1 1 112 112 LYS C C 115 177.267 177.267 174.905 2.362 17918 11002 1 17 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.472 -0.097 17918 11003 1 17 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.833 -0.320 17918 11004 1 17 . 1 1 112 112 LYS H H 115 9.075 9.075 9.387 -0.312 17918 11005 1 17 . 1 1 113 113 ARG N N 116 126.762 126.762 123.954 2.808 17918 11006 1 17 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.254 0.081 17918 11007 1 17 . 1 1 113 113 ARG C C 116 176.109 176.109 175.844 0.265 17918 11008 1 17 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.094 1.729 17918 11009 1 17 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.281 0.576 17918 11010 1 17 . 1 1 113 113 ARG H H 116 7.830 7.830 8.459 -0.629 17918 11011 1 17 . 1 1 114 114 LEU N N 117 128.545 128.545 127.570 0.975 17918 11012 1 17 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.660 -0.037 17918 11013 1 17 . 1 1 114 114 LEU C C 117 176.857 176.857 175.645 1.212 17918 11014 1 17 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.839 1.153 17918 11015 1 17 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.818 1.321 17918 11016 1 17 . 1 1 114 114 LEU H H 117 8.534 8.534 8.916 -0.382 17918 11017 1 18 . 1 1 2 2 SER N N 5 117.478 117.478 117.143 0.335 17918 11018 1 18 . 1 1 2 2 SER HA H 5 4.393 4.393 4.380 0.013 17918 11019 1 18 . 1 1 2 2 SER C C 5 175.466 175.466 175.020 0.446 17918 11020 1 18 . 1 1 2 2 SER CA C 5 59.622 59.622 60.191 -0.568 17918 11021 1 18 . 1 1 2 2 SER CB C 5 64.896 64.896 63.326 1.570 17918 11022 1 18 . 1 1 2 2 SER H H 5 8.317 8.317 8.237 0.080 17918 11023 1 18 . 1 1 3 3 GLU N N 6 123.783 123.783 120.751 3.032 17918 11024 1 18 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.334 -0.056 17918 11025 1 18 . 1 1 3 3 GLU C C 6 177.189 177.189 175.106 2.083 17918 11026 1 18 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.688 2.103 17918 11027 1 18 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.290 1.278 17918 11028 1 18 . 1 1 3 3 GLU H H 6 8.359 8.359 7.865 0.494 17918 11029 1 18 . 1 1 4 4 LYS N N 7 122.875 122.875 117.980 4.895 17918 11030 1 18 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.103 0.411 17918 11031 1 18 . 1 1 4 4 LYS C C 7 176.557 176.557 174.800 1.757 17918 11032 1 18 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.893 -0.067 17918 11033 1 18 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.701 3.692 17918 11034 1 18 . 1 1 4 4 LYS H H 7 8.193 8.193 8.246 -0.053 17918 11035 1 18 . 1 1 5 5 LEU N N 8 123.258 123.258 123.081 0.177 17918 11036 1 18 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.787 -0.393 17918 11037 1 18 . 1 1 5 5 LEU C C 8 175.699 175.699 174.079 1.620 17918 11038 1 18 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.853 0.689 17918 11039 1 18 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.762 -0.250 17918 11040 1 18 . 1 1 5 5 LEU H H 8 8.265 8.265 8.883 -0.618 17918 11041 1 18 . 1 1 6 6 ARG N N 9 117.197 117.197 119.313 -2.116 17918 11042 1 18 . 1 1 6 6 ARG HA H 9 4.604 4.604 4.937 -0.333 17918 11043 1 18 . 1 1 6 6 ARG C C 9 175.633 175.633 173.809 1.824 17918 11044 1 18 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.599 1.576 17918 11045 1 18 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.796 2.624 17918 11046 1 18 . 1 1 6 6 ARG H H 9 7.759 7.759 8.722 -0.963 17918 11047 1 18 . 1 1 7 7 ALA N N 10 126.954 126.954 126.893 0.061 17918 11048 1 18 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.121 0.019 17918 11049 1 18 . 1 1 7 7 ALA C C 10 174.004 174.004 174.820 -0.816 17918 11050 1 18 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.257 0.610 17918 11051 1 18 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.377 1.630 17918 11052 1 18 . 1 1 7 7 ALA H H 10 7.637 7.637 8.584 -0.947 17918 11053 1 18 . 1 1 8 8 ALA N N 11 122.081 122.081 122.473 -0.392 17918 11054 1 18 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.759 1.031 17918 11055 1 18 . 1 1 8 8 ALA C C 11 177.446 177.446 175.587 1.859 17918 11056 1 18 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.441 -0.164 17918 11057 1 18 . 1 1 8 8 ALA CB C 11 23.621 23.621 21.378 2.243 17918 11058 1 18 . 1 1 8 8 ALA H H 11 8.991 8.991 8.588 0.403 17918 11059 1 18 . 1 1 9 9 HIS N N 12 118.002 118.002 119.398 -1.396 17918 11060 1 18 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.808 0.321 17918 11061 1 18 . 1 1 9 9 HIS C C 12 172.689 172.689 172.919 -0.230 17918 11062 1 18 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.853 1.243 17918 11063 1 18 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.278 5.454 17918 11064 1 18 . 1 1 9 9 HIS H H 12 9.489 9.489 8.307 1.182 17918 11065 1 18 . 1 1 10 10 LEU N N 13 126.276 126.276 120.903 5.373 17918 11066 1 18 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.827 -0.921 17918 11067 1 18 . 1 1 10 10 LEU C C 13 174.163 174.163 174.760 -0.597 17918 11068 1 18 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.334 3.369 17918 11069 1 18 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.196 -0.629 17918 11070 1 18 . 1 1 10 10 LEU H H 13 8.866 8.866 9.309 -0.443 17918 11071 1 18 . 1 1 11 11 LEU N N 14 127.134 127.134 127.048 0.086 17918 11072 1 18 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.582 -0.844 17918 11073 1 18 . 1 1 11 11 LEU C C 14 175.626 175.626 174.790 0.836 17918 11074 1 18 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.447 0.156 17918 11075 1 18 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.615 0.080 17918 11076 1 18 . 1 1 11 11 LEU H H 14 7.762 7.762 7.737 0.025 17918 11077 1 18 . 1 1 12 12 VAL N N 15 129.450 129.450 127.607 1.843 17918 11078 1 18 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.653 -0.243 17918 11079 1 18 . 1 1 12 12 VAL C C 15 177.055 177.055 175.001 2.054 17918 11080 1 18 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.133 1.708 17918 11081 1 18 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.465 0.924 17918 11082 1 18 . 1 1 12 12 VAL H H 15 9.667 9.667 9.109 0.558 17918 11083 1 18 . 1 1 13 13 LYS N N 16 127.188 127.188 128.577 -1.389 17918 11084 1 18 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.471 0.011 17918 11085 1 18 . 1 1 13 13 LYS C C 16 176.034 176.034 175.427 0.607 17918 11086 1 18 . 1 1 13 13 LYS CA C 16 58.166 58.166 56.081 2.085 17918 11087 1 18 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.221 4.573 17918 11088 1 18 . 1 1 13 13 LYS H H 16 9.138 9.138 9.503 -0.365 17918 11089 1 18 . 1 1 14 14 PHE N N 17 117.138 117.138 121.042 -3.904 17918 11090 1 18 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.056 0.198 17918 11091 1 18 . 1 1 14 14 PHE C C 17 176.588 176.588 176.779 -0.191 17918 11092 1 18 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.304 2.284 17918 11093 1 18 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.292 0.067 17918 11094 1 18 . 1 1 14 14 PHE H H 17 8.617 8.617 8.029 0.588 17918 11095 1 18 . 1 1 15 15 SER N N 18 120.047 120.047 117.568 2.479 17918 11096 1 18 . 1 1 15 15 SER HA H 18 4.019 4.019 4.171 -0.152 17918 11097 1 18 . 1 1 15 15 SER C C 18 180.099 180.099 175.544 4.555 17918 11098 1 18 . 1 1 15 15 SER CA C 18 62.865 62.865 62.044 0.821 17918 11099 1 18 . 1 1 15 15 SER CB C 18 64.300 64.300 63.449 0.851 17918 11100 1 18 . 1 1 15 15 SER H H 18 9.437 9.437 9.073 0.364 17918 11101 1 18 . 1 1 16 16 GLY C C 19 175.458 175.458 174.596 0.862 17918 11102 1 18 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.523 1.259 17918 11103 1 18 . 1 1 17 17 SER N N 20 120.550 120.550 115.039 5.511 17918 11104 1 18 . 1 1 17 17 SER HA H 20 3.839 3.839 3.980 -0.141 17918 11105 1 18 . 1 1 17 17 SER C C 20 174.702 174.702 175.093 -0.391 17918 11106 1 18 . 1 1 17 17 SER CA C 20 62.099 62.099 57.712 4.387 17918 11107 1 18 . 1 1 17 17 SER CB C 20 65.081 65.081 64.491 0.590 17918 11108 1 18 . 1 1 17 17 SER H H 20 7.236 7.236 7.211 0.025 17918 11109 1 18 . 1 1 18 18 ARG N N 21 123.998 123.998 118.315 5.683 17918 11110 1 18 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.091 -0.028 17918 11111 1 18 . 1 1 18 18 ARG C C 21 177.005 177.005 176.202 0.803 17918 11112 1 18 . 1 1 18 18 ARG CA C 21 59.595 59.595 57.963 1.632 17918 11113 1 18 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.616 -0.510 17918 11114 1 18 . 1 1 18 18 ARG H H 21 8.544 8.544 8.376 0.168 17918 11115 1 18 . 1 1 19 19 ASN N N 22 116.403 116.403 114.438 1.965 17918 11116 1 18 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.989 0.275 17918 11117 1 18 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.819 0.001 17918 11118 1 18 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.952 0.544 17918 11119 1 18 . 1 1 19 19 ASN H H 22 8.412 8.412 7.598 0.814 17918 11120 1 18 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.722 -0.384 17918 11121 1 18 . 1 1 20 20 PRO C C 23 176.381 176.381 175.369 1.012 17918 11122 1 18 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.233 2.330 17918 11123 1 18 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.135 -0.825 17918 11124 1 18 . 1 1 21 21 VAL N N 24 126.905 126.905 119.575 7.330 17918 11125 1 18 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.479 -0.131 17918 11126 1 18 . 1 1 21 21 VAL C C 24 176.393 176.393 173.579 2.814 17918 11127 1 18 . 1 1 21 21 VAL CA C 24 62.839 62.839 60.079 2.760 17918 11128 1 18 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.554 0.432 17918 11129 1 18 . 1 1 21 21 VAL H H 24 8.810 8.810 7.490 1.320 17918 11130 1 18 . 1 1 22 22 SER N N 25 121.164 121.164 119.960 1.204 17918 11131 1 18 . 1 1 22 22 SER HA H 25 4.296 4.296 4.834 -0.538 17918 11132 1 18 . 1 1 22 22 SER C C 25 178.264 178.264 175.317 2.947 17918 11133 1 18 . 1 1 22 22 SER CA C 25 59.682 59.682 56.150 3.532 17918 11134 1 18 . 1 1 22 22 SER CB C 25 64.553 64.553 66.444 -1.891 17918 11135 1 18 . 1 1 22 22 SER H H 25 8.657 8.657 7.762 0.895 17918 11136 1 18 . 1 1 23 23 ARG N N 26 129.578 129.578 122.864 6.714 17918 11137 1 18 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.920 0.424 17918 11138 1 18 . 1 1 23 23 ARG C C 26 176.541 176.541 177.578 -1.037 17918 11139 1 18 . 1 1 23 23 ARG CA C 26 57.260 57.260 57.678 -0.419 17918 11140 1 18 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.833 1.049 17918 11141 1 18 . 1 1 23 23 ARG H H 26 8.837 8.837 8.878 -0.041 17918 11142 1 18 . 1 1 24 24 ARG N N 27 119.514 119.514 115.365 4.149 17918 11143 1 18 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.220 -0.430 17918 11144 1 18 . 1 1 24 24 ARG C C 27 177.905 177.905 177.323 0.582 17918 11145 1 18 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.444 0.373 17918 11146 1 18 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.303 2.761 17918 11147 1 18 . 1 1 24 24 ARG H H 27 7.439 7.439 8.339 -0.900 17918 11148 1 18 . 1 1 25 25 THR N N 28 127.221 127.221 106.611 20.610 17918 11149 1 18 . 1 1 25 25 THR HA H 28 4.258 4.258 4.433 -0.175 17918 11150 1 18 . 1 1 25 25 THR C C 28 177.078 177.078 176.025 1.053 17918 11151 1 18 . 1 1 25 25 THR CA C 28 62.291 62.291 62.041 0.250 17918 11152 1 18 . 1 1 25 25 THR CB C 28 71.224 71.224 71.670 -0.446 17918 11153 1 18 . 1 1 25 25 THR H H 28 7.088 7.088 7.596 -0.508 17918 11154 1 18 . 1 1 26 26 GLY N N 29 110.483 110.483 112.008 -1.525 17918 11155 1 18 . 1 1 26 26 GLY C C 29 174.471 174.471 173.525 0.946 17918 11156 1 18 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.722 0.747 17918 11157 1 18 . 1 1 26 26 GLY H H 29 7.678 7.678 8.718 -1.040 17918 11158 1 18 . 1 1 27 27 ASP N N 30 120.302 120.302 119.127 1.175 17918 11159 1 18 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.871 -0.108 17918 11160 1 18 . 1 1 27 27 ASP C C 30 177.147 177.147 174.912 2.235 17918 11161 1 18 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.028 0.735 17918 11162 1 18 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.559 0.391 17918 11163 1 18 . 1 1 27 27 ASP H H 30 8.128 8.128 8.374 -0.246 17918 11164 1 18 . 1 1 28 28 SER N N 31 113.726 113.726 113.520 0.206 17918 11165 1 18 . 1 1 28 28 SER HA H 31 4.629 4.629 4.862 -0.233 17918 11166 1 18 . 1 1 28 28 SER C C 31 178.127 178.127 173.235 4.892 17918 11167 1 18 . 1 1 28 28 SER CA C 31 58.869 58.869 57.771 1.098 17918 11168 1 18 . 1 1 28 28 SER CB C 31 64.796 64.796 66.656 -1.860 17918 11169 1 18 . 1 1 28 28 SER H H 31 8.633 8.633 7.597 1.036 17918 11170 1 18 . 1 1 29 29 THR N N 32 120.655 120.655 116.713 3.942 17918 11171 1 18 . 1 1 29 29 THR HA H 32 4.589 4.589 4.661 -0.072 17918 11172 1 18 . 1 1 29 29 THR C C 32 176.368 176.368 173.784 2.584 17918 11173 1 18 . 1 1 29 29 THR CA C 32 62.892 62.892 61.632 1.260 17918 11174 1 18 . 1 1 29 29 THR CB C 32 69.624 69.624 68.914 0.710 17918 11175 1 18 . 1 1 29 29 THR H H 32 8.397 8.397 8.819 -0.422 17918 11176 1 18 . 1 1 30 30 ALA N N 33 124.923 124.923 123.657 1.266 17918 11177 1 18 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.298 -0.503 17918 11178 1 18 . 1 1 30 30 ALA C C 33 177.708 177.708 176.731 0.977 17918 11179 1 18 . 1 1 30 30 ALA CA C 33 55.828 55.828 53.525 2.303 17918 11180 1 18 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.378 1.471 17918 11181 1 18 . 1 1 30 30 ALA H H 33 8.251 8.251 8.394 -0.143 17918 11182 1 18 . 1 1 31 31 ASP N N 34 114.016 114.016 115.761 -1.745 17918 11183 1 18 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.626 0.105 17918 11184 1 18 . 1 1 31 31 ASP C C 34 176.973 176.973 176.412 0.561 17918 11185 1 18 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.638 0.943 17918 11186 1 18 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.546 0.354 17918 11187 1 18 . 1 1 31 31 ASP H H 34 8.398 8.398 7.860 0.538 17918 11188 1 18 . 1 1 32 32 VAL N N 35 123.637 123.637 121.880 1.757 17918 11189 1 18 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.403 -0.143 17918 11190 1 18 . 1 1 32 32 VAL C C 35 177.725 177.725 174.963 2.762 17918 11191 1 18 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.752 2.740 17918 11192 1 18 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.597 0.160 17918 11193 1 18 . 1 1 32 32 VAL H H 35 7.323 7.323 7.490 -0.167 17918 11194 1 18 . 1 1 33 33 THR N N 36 121.552 121.552 120.377 1.175 17918 11195 1 18 . 1 1 33 33 THR HA H 36 4.642 4.642 4.712 -0.070 17918 11196 1 18 . 1 1 33 33 THR C C 36 176.268 176.268 175.425 0.843 17918 11197 1 18 . 1 1 33 33 THR CA C 36 62.597 62.597 60.300 2.297 17918 11198 1 18 . 1 1 33 33 THR CB C 36 72.388 72.388 70.942 1.446 17918 11199 1 18 . 1 1 33 33 THR H H 36 9.078 9.078 8.105 0.973 17918 11200 1 18 . 1 1 34 34 TYR N N 37 122.486 122.486 119.394 3.092 17918 11201 1 18 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.839 -0.405 17918 11202 1 18 . 1 1 34 34 TYR C C 37 177.216 177.216 177.152 0.064 17918 11203 1 18 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.102 1.939 17918 11204 1 18 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.601 2.893 17918 11205 1 18 . 1 1 34 34 TYR H H 37 9.247 9.247 8.526 0.721 17918 11206 1 18 . 1 1 35 35 GLU N N 38 116.626 116.626 120.597 -3.971 17918 11207 1 18 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.717 -0.038 17918 11208 1 18 . 1 1 35 35 GLU C C 38 180.453 180.453 178.902 1.551 17918 11209 1 18 . 1 1 35 35 GLU CA C 38 61.445 61.445 60.224 1.221 17918 11210 1 18 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.547 1.611 17918 11211 1 18 . 1 1 35 35 GLU H H 38 8.782 8.782 7.941 0.841 17918 11212 1 18 . 1 1 36 36 ASP N N 39 120.670 120.670 119.884 0.786 17918 11213 1 18 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.295 0.077 17918 11214 1 18 . 1 1 36 36 ASP C C 39 180.015 180.015 178.475 1.540 17918 11215 1 18 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.233 0.986 17918 11216 1 18 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.624 0.610 17918 11217 1 18 . 1 1 36 36 ASP H H 39 7.916 7.916 7.876 0.040 17918 11218 1 18 . 1 1 37 37 ALA N N 40 126.126 126.126 122.820 3.306 17918 11219 1 18 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.119 -0.279 17918 11220 1 18 . 1 1 37 37 ALA C C 40 179.923 179.923 179.387 0.536 17918 11221 1 18 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.134 1.211 17918 11222 1 18 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.702 1.151 17918 11223 1 18 . 1 1 37 37 ALA H H 40 8.318 8.318 8.079 0.239 17918 11224 1 18 . 1 1 38 38 ILE N N 41 118.850 118.850 119.188 -0.338 17918 11225 1 18 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.614 -0.146 17918 11226 1 18 . 1 1 38 38 ILE C C 41 179.106 179.106 178.161 0.945 17918 11227 1 18 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.129 -0.750 17918 11228 1 18 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.787 -0.496 17918 11229 1 18 . 1 1 38 38 ILE H H 41 8.151 8.151 8.304 -0.153 17918 11230 1 18 . 1 1 39 39 LYS N N 42 120.585 120.585 118.415 2.170 17918 11231 1 18 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.929 0.055 17918 11232 1 18 . 1 1 39 39 LYS C C 42 180.883 180.883 179.113 1.770 17918 11233 1 18 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.139 1.746 17918 11234 1 18 . 1 1 39 39 LYS CB C 42 33.541 33.541 31.630 1.911 17918 11235 1 18 . 1 1 39 39 LYS H H 42 7.519 7.519 8.277 -0.758 17918 11236 1 18 . 1 1 40 40 GLU N N 43 121.167 121.167 120.017 1.150 17918 11237 1 18 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.077 0.239 17918 11238 1 18 . 1 1 40 40 GLU C C 43 179.969 179.969 178.845 1.124 17918 11239 1 18 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.307 0.699 17918 11240 1 18 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.543 1.198 17918 11241 1 18 . 1 1 40 40 GLU H H 43 7.911 7.911 7.728 0.183 17918 11242 1 18 . 1 1 41 41 LEU N N 44 121.081 121.081 120.724 0.357 17918 11243 1 18 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.241 -0.050 17918 11244 1 18 . 1 1 41 41 LEU C C 44 180.778 180.778 179.858 0.920 17918 11245 1 18 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.476 0.457 17918 11246 1 18 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.598 1.287 17918 11247 1 18 . 1 1 41 41 LEU H H 44 8.424 8.424 7.866 0.558 17918 11248 1 18 . 1 1 42 42 GLN N N 45 121.129 121.129 118.853 2.276 17918 11249 1 18 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.198 -0.169 17918 11250 1 18 . 1 1 42 42 GLN C C 45 179.911 179.911 178.752 1.159 17918 11251 1 18 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.535 1.823 17918 11252 1 18 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.430 0.592 17918 11253 1 18 . 1 1 42 42 GLN H H 45 8.971 8.971 8.424 0.547 17918 11254 1 18 . 1 1 43 43 LYS N N 46 121.830 121.830 120.921 0.909 17918 11255 1 18 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.033 -0.026 17918 11256 1 18 . 1 1 43 43 LYS C C 46 180.898 180.898 178.758 2.140 17918 11257 1 18 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.644 1.000 17918 11258 1 18 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.141 0.323 17918 11259 1 18 . 1 1 43 43 LYS H H 46 7.769 7.769 7.321 0.448 17918 11260 1 18 . 1 1 44 44 TRP N N 47 119.737 119.737 121.431 -1.694 17918 11261 1 18 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.328 -0.372 17918 11262 1 18 . 1 1 44 44 TRP C C 47 179.173 179.173 178.582 0.591 17918 11263 1 18 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.163 2.884 17918 11264 1 18 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.716 -0.102 17918 11265 1 18 . 1 1 44 44 TRP H H 47 8.002 8.002 8.609 -0.607 17918 11266 1 18 . 1 1 45 45 SER N N 48 114.940 114.940 113.929 1.011 17918 11267 1 18 . 1 1 45 45 SER HA H 48 4.072 4.072 4.170 -0.098 17918 11268 1 18 . 1 1 45 45 SER C C 48 178.249 178.249 177.101 1.148 17918 11269 1 18 . 1 1 45 45 SER CA C 48 63.707 63.707 61.949 1.758 17918 11270 1 18 . 1 1 45 45 SER H H 48 8.901 8.901 8.676 0.225 17918 11271 1 18 . 1 1 46 46 GLN N N 49 121.411 121.411 122.725 -1.314 17918 11272 1 18 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.073 0.124 17918 11273 1 18 . 1 1 46 46 GLN C C 49 179.809 179.809 178.143 1.666 17918 11274 1 18 . 1 1 46 46 GLN CA C 49 59.859 59.859 59.082 0.777 17918 11275 1 18 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.680 0.513 17918 11276 1 18 . 1 1 46 46 GLN H H 49 7.950 7.950 7.613 0.337 17918 11277 1 18 . 1 1 47 47 ARG N N 50 121.809 121.809 119.538 2.271 17918 11278 1 18 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.329 -0.278 17918 11279 1 18 . 1 1 47 47 ARG C C 50 179.464 179.464 179.333 0.131 17918 11280 1 18 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.583 1.464 17918 11281 1 18 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.396 1.597 17918 11282 1 18 . 1 1 47 47 ARG H H 50 7.834 7.834 8.236 -0.402 17918 11283 1 18 . 1 1 48 48 ILE N N 51 120.569 120.569 118.955 1.614 17918 11284 1 18 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.367 0.121 17918 11285 1 18 . 1 1 48 48 ILE C C 51 181.848 181.848 178.166 3.682 17918 11286 1 18 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.658 -0.095 17918 11287 1 18 . 1 1 48 48 ILE CB C 51 40.693 40.693 38.223 2.470 17918 11288 1 18 . 1 1 48 48 ILE H H 51 8.127 8.127 8.761 -0.634 17918 11289 1 18 . 1 1 49 49 ALA N N 52 124.538 124.538 121.339 3.199 17918 11290 1 18 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.171 0.038 17918 11291 1 18 . 1 1 49 49 ALA C C 52 181.120 181.120 178.635 2.485 17918 11292 1 18 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.136 2.283 17918 11293 1 18 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.111 0.305 17918 11294 1 18 . 1 1 49 49 ALA H H 52 8.526 8.526 7.679 0.847 17918 11295 1 18 . 1 1 50 50 SER N N 53 111.097 111.097 113.701 -2.604 17918 11296 1 18 . 1 1 50 50 SER HA H 53 4.428 4.428 4.269 0.159 17918 11297 1 18 . 1 1 50 50 SER C C 53 176.608 176.608 176.345 0.263 17918 11298 1 18 . 1 1 50 50 SER CA C 53 60.248 60.248 59.703 0.546 17918 11299 1 18 . 1 1 50 50 SER CB C 53 65.098 65.098 64.576 0.522 17918 11300 1 18 . 1 1 50 50 SER H H 53 8.124 8.124 8.232 -0.108 17918 11301 1 18 . 1 1 51 51 GLY N N 54 110.581 110.581 109.228 1.353 17918 11302 1 18 . 1 1 51 51 GLY C C 54 175.699 175.699 174.887 0.812 17918 11303 1 18 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.787 1.644 17918 11304 1 18 . 1 1 51 51 GLY H H 54 7.904 7.904 8.297 -0.393 17918 11305 1 18 . 1 1 52 52 GLU N N 55 122.231 122.231 120.252 1.979 17918 11306 1 18 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.154 -0.151 17918 11307 1 18 . 1 1 52 52 GLU C C 55 177.647 177.647 176.873 0.774 17918 11308 1 18 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.471 1.617 17918 11309 1 18 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.258 1.365 17918 11310 1 18 . 1 1 52 52 GLU H H 55 8.204 8.204 7.967 0.237 17918 11311 1 18 . 1 1 53 53 VAL N N 56 111.615 111.615 112.744 -1.129 17918 11312 1 18 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.617 -0.038 17918 11313 1 18 . 1 1 53 53 VAL C C 56 175.225 175.225 174.729 0.496 17918 11314 1 18 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.724 -0.040 17918 11315 1 18 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.842 0.691 17918 11316 1 18 . 1 1 53 53 VAL H H 56 7.274 7.274 7.503 -0.229 17918 11317 1 18 . 1 1 54 54 SER N N 57 119.532 119.532 114.693 4.839 17918 11318 1 18 . 1 1 54 54 SER HA H 57 4.692 4.692 4.768 -0.076 17918 11319 1 18 . 1 1 54 54 SER C C 57 176.092 176.092 175.570 0.522 17918 11320 1 18 . 1 1 54 54 SER CA C 57 58.189 58.189 56.902 1.287 17918 11321 1 18 . 1 1 54 54 SER CB C 57 66.447 66.447 65.027 1.420 17918 11322 1 18 . 1 1 54 54 SER H H 57 8.637 8.637 8.219 0.418 17918 11323 1 18 . 1 1 55 55 PHE N N 58 123.609 123.609 123.104 0.505 17918 11324 1 18 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.132 -0.478 17918 11325 1 18 . 1 1 55 55 PHE C C 58 177.469 177.469 176.739 0.730 17918 11326 1 18 . 1 1 55 55 PHE CA C 58 63.857 63.857 62.018 1.839 17918 11327 1 18 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.802 2.164 17918 11328 1 18 . 1 1 55 55 PHE H H 58 9.326 9.326 9.157 0.169 17918 11329 1 18 . 1 1 56 56 GLU N N 59 116.994 116.994 117.839 -0.845 17918 11330 1 18 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.199 0.006 17918 11331 1 18 . 1 1 56 56 GLU C C 59 180.852 180.852 179.249 1.603 17918 11332 1 18 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.941 1.425 17918 11333 1 18 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.688 1.142 17918 11334 1 18 . 1 1 56 56 GLU H H 59 9.464 9.464 8.918 0.546 17918 11335 1 18 . 1 1 57 57 GLU N N 60 122.452 122.452 118.449 4.003 17918 11336 1 18 . 1 1 57 57 GLU HA H 60 4.023 4.023 3.965 0.058 17918 11337 1 18 . 1 1 57 57 GLU C C 60 179.899 179.899 178.264 1.635 17918 11338 1 18 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.928 1.085 17918 11339 1 18 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.029 2.156 17918 11340 1 18 . 1 1 57 57 GLU H H 60 7.978 7.978 7.769 0.209 17918 11341 1 18 . 1 1 58 58 ALA N N 61 123.053 123.053 121.284 1.769 17918 11342 1 18 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.133 0.448 17918 11343 1 18 . 1 1 58 58 ALA C C 61 179.854 179.854 179.001 0.853 17918 11344 1 18 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.024 1.857 17918 11345 1 18 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.226 2.834 17918 11346 1 18 . 1 1 58 58 ALA H H 61 8.157 8.157 7.096 1.061 17918 11347 1 18 . 1 1 59 59 ALA N N 62 120.029 120.029 120.583 -0.554 17918 11348 1 18 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.654 -0.102 17918 11349 1 18 . 1 1 59 59 ALA C C 62 181.080 181.080 179.938 1.142 17918 11350 1 18 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.554 1.864 17918 11351 1 18 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.030 0.012 17918 11352 1 18 . 1 1 59 59 ALA H H 62 8.540 8.540 7.749 0.791 17918 11353 1 18 . 1 1 60 60 SER N N 63 113.010 113.010 111.489 1.521 17918 11354 1 18 . 1 1 60 60 SER HA H 63 4.766 4.766 4.317 0.449 17918 11355 1 18 . 1 1 60 60 SER C C 63 176.299 176.299 175.537 0.762 17918 11356 1 18 . 1 1 60 60 SER CA C 63 62.414 62.414 61.383 1.031 17918 11357 1 18 . 1 1 60 60 SER CB C 63 64.687 64.687 63.463 1.224 17918 11358 1 18 . 1 1 60 60 SER H H 63 8.013 8.013 7.716 0.297 17918 11359 1 18 . 1 1 61 61 GLN N N 64 115.830 115.830 115.831 -0.001 17918 11360 1 18 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.380 -0.250 17918 11361 1 18 . 1 1 61 61 GLN C C 64 178.579 178.579 177.350 1.229 17918 11362 1 18 . 1 1 61 61 GLN CA C 64 58.366 58.366 56.986 1.380 17918 11363 1 18 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.367 2.009 17918 11364 1 18 . 1 1 61 61 GLN H H 64 7.496 7.496 7.337 0.159 17918 11365 1 18 . 1 1 62 62 ARG N N 65 115.716 115.716 118.229 -2.513 17918 11366 1 18 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.389 0.072 17918 11367 1 18 . 1 1 62 62 ARG C C 65 176.601 176.601 176.840 -0.239 17918 11368 1 18 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.196 -2.564 17918 11369 1 18 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.657 2.000 17918 11370 1 18 . 1 1 62 62 ARG H H 65 7.693 7.693 8.430 -0.737 17918 11371 1 18 . 1 1 63 63 SER N N 66 114.680 114.680 116.132 -1.452 17918 11372 1 18 . 1 1 63 63 SER HA H 66 4.222 4.222 4.574 -0.352 17918 11373 1 18 . 1 1 63 63 SER C C 66 177.034 177.034 175.281 1.753 17918 11374 1 18 . 1 1 63 63 SER CA C 66 59.677 59.677 59.085 0.592 17918 11375 1 18 . 1 1 63 63 SER CB C 66 65.786 65.786 63.351 2.435 17918 11376 1 18 . 1 1 63 63 SER H H 66 8.528 8.528 7.530 0.998 17918 11377 1 18 . 1 1 64 64 ASP N N 67 123.612 123.612 125.308 -1.696 17918 11378 1 18 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.497 0.402 17918 11379 1 18 . 1 1 64 64 ASP C C 67 176.674 176.674 176.314 0.360 17918 11380 1 18 . 1 1 64 64 ASP CA C 67 55.991 55.991 54.444 1.547 17918 11381 1 18 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.630 3.027 17918 11382 1 18 . 1 1 64 64 ASP H H 67 9.645 9.645 8.642 1.003 17918 11383 1 18 . 1 1 65 65 CYS N N 68 124.716 124.716 119.595 5.121 17918 11384 1 18 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.600 -0.155 17918 11385 1 18 . 1 1 65 65 CYS C C 68 177.747 177.747 177.153 0.594 17918 11386 1 18 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.808 1.310 17918 11387 1 18 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.951 0.508 17918 11388 1 18 . 1 1 65 65 CYS H H 68 7.903 7.903 7.443 0.460 17918 11389 1 18 . 1 1 66 66 GLY N N 69 118.503 118.503 111.982 6.521 17918 11390 1 18 . 1 1 66 66 GLY C C 69 175.872 175.872 175.496 0.376 17918 11391 1 18 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.629 1.313 17918 11392 1 18 . 1 1 66 66 GLY H H 69 8.811 8.811 9.023 -0.212 17918 11393 1 18 . 1 1 67 67 SER N N 70 120.316 120.316 117.673 2.643 17918 11394 1 18 . 1 1 67 67 SER HA H 70 4.245 4.245 4.071 0.174 17918 11395 1 18 . 1 1 67 67 SER C C 70 178.404 178.404 176.046 2.358 17918 11396 1 18 . 1 1 67 67 SER CA C 70 61.611 61.611 60.443 1.168 17918 11397 1 18 . 1 1 67 67 SER CB C 70 64.297 64.297 62.745 1.552 17918 11398 1 18 . 1 1 67 67 SER H H 70 9.556 9.556 7.848 1.708 17918 11399 1 18 . 1 1 68 68 TYR N N 71 129.376 129.376 121.898 7.478 17918 11400 1 18 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.206 -0.175 17918 11401 1 18 . 1 1 68 68 TYR C C 71 177.613 177.613 177.140 0.473 17918 11402 1 18 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.364 3.028 17918 11403 1 18 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.874 -0.077 17918 11404 1 18 . 1 1 68 68 TYR H H 71 8.584 8.584 8.276 0.308 17918 11405 1 18 . 1 1 69 69 ALA N N 72 122.673 122.673 122.556 0.117 17918 11406 1 18 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.680 -0.035 17918 11407 1 18 . 1 1 69 69 ALA C C 72 179.011 179.011 178.538 0.473 17918 11408 1 18 . 1 1 69 69 ALA CA C 72 54.290 54.290 54.042 0.248 17918 11409 1 18 . 1 1 69 69 ALA CB C 72 19.121 19.121 17.863 1.258 17918 11410 1 18 . 1 1 69 69 ALA H H 72 5.645 5.645 7.157 -1.512 17918 11411 1 18 . 1 1 70 70 SER N N 73 114.496 114.496 113.595 0.901 17918 11412 1 18 . 1 1 70 70 SER HA H 73 4.782 4.782 4.407 0.375 17918 11413 1 18 . 1 1 70 70 SER C C 73 177.320 177.320 174.789 2.531 17918 11414 1 18 . 1 1 70 70 SER CA C 73 57.287 57.287 58.425 -1.138 17918 11415 1 18 . 1 1 70 70 SER CB C 73 64.538 64.538 63.575 0.963 17918 11416 1 18 . 1 1 70 70 SER H H 73 7.654 7.654 7.653 0.001 17918 11417 1 18 . 1 1 71 71 GLY N N 74 112.182 112.182 108.896 3.286 17918 11418 1 18 . 1 1 71 71 GLY C C 74 174.379 174.379 173.969 0.410 17918 11419 1 18 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.907 3.527 17918 11420 1 18 . 1 1 71 71 GLY H H 74 7.933 7.933 7.414 0.519 17918 11421 1 18 . 1 1 72 72 GLY N N 75 126.463 126.463 108.483 17.980 17918 11422 1 18 . 1 1 72 72 GLY C C 75 175.121 175.121 172.692 2.429 17918 11423 1 18 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.476 0.596 17918 11424 1 18 . 1 1 72 72 GLY H H 75 7.994 7.994 8.451 -0.457 17918 11425 1 18 . 1 1 73 73 ASP N N 76 118.815 118.815 120.904 -2.089 17918 11426 1 18 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.631 -0.217 17918 11427 1 18 . 1 1 73 73 ASP C C 76 177.362 177.362 174.698 2.664 17918 11428 1 18 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.449 2.674 17918 11429 1 18 . 1 1 73 73 ASP CB C 76 42.451 42.451 43.123 -0.672 17918 11430 1 18 . 1 1 73 73 ASP H H 76 6.956 6.956 7.753 -0.797 17918 11431 1 18 . 1 1 74 74 LEU N N 77 128.720 128.720 122.020 6.700 17918 11432 1 18 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.530 -0.175 17918 11433 1 18 . 1 1 74 74 LEU C C 77 179.412 179.412 177.734 1.678 17918 11434 1 18 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.492 2.642 17918 11435 1 18 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.047 1.795 17918 11436 1 18 . 1 1 74 74 LEU H H 77 8.694 8.694 8.262 0.432 17918 11437 1 18 . 1 1 75 75 GLY N N 78 109.695 109.695 107.829 1.866 17918 11438 1 18 . 1 1 75 75 GLY C C 78 173.473 173.473 174.736 -1.263 17918 11439 1 18 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.328 0.018 17918 11440 1 18 . 1 1 75 75 GLY H H 78 8.682 8.682 7.781 0.901 17918 11441 1 18 . 1 1 76 76 PHE N N 79 115.646 115.646 115.327 0.319 17918 11442 1 18 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.488 0.731 17918 11443 1 18 . 1 1 76 76 PHE C C 79 178.904 178.904 174.979 3.925 17918 11444 1 18 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.944 -0.488 17918 11445 1 18 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.227 3.590 17918 11446 1 18 . 1 1 76 76 PHE H H 79 8.203 8.203 7.659 0.544 17918 11447 1 18 . 1 1 77 77 PHE N N 80 119.508 119.508 118.542 0.966 17918 11448 1 18 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.059 0.078 17918 11449 1 18 . 1 1 77 77 PHE C C 80 174.331 174.331 174.042 0.289 17918 11450 1 18 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.949 0.947 17918 11451 1 18 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.325 1.138 17918 11452 1 18 . 1 1 77 77 PHE H H 80 9.112 9.112 9.369 -0.257 17918 11453 1 18 . 1 1 78 78 SER N N 81 116.578 116.578 115.440 1.138 17918 11454 1 18 . 1 1 78 78 SER HA H 81 4.957 4.957 4.558 0.399 17918 11455 1 18 . 1 1 78 78 SER C C 81 176.191 176.191 175.212 0.979 17918 11456 1 18 . 1 1 78 78 SER CA C 81 58.065 58.065 58.276 -0.211 17918 11457 1 18 . 1 1 78 78 SER CB C 81 66.514 66.514 64.026 2.488 17918 11458 1 18 . 1 1 78 78 SER H H 81 8.930 8.930 9.346 -0.416 17918 11459 1 18 . 1 1 79 79 SER N N 82 118.715 118.715 115.524 3.191 17918 11460 1 18 . 1 1 79 79 SER HA H 82 4.420 4.420 4.139 0.281 17918 11461 1 18 . 1 1 79 79 SER C C 82 176.946 176.946 175.273 1.673 17918 11462 1 18 . 1 1 79 79 SER CA C 82 60.988 60.988 59.965 1.024 17918 11463 1 18 . 1 1 79 79 SER CB C 82 64.242 64.242 62.974 1.268 17918 11464 1 18 . 1 1 79 79 SER H H 82 8.751 8.751 8.452 0.299 17918 11465 1 18 . 1 1 80 80 GLY N N 83 117.069 117.069 108.653 8.416 17918 11466 1 18 . 1 1 80 80 GLY C C 83 175.628 175.628 173.363 2.265 17918 11467 1 18 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.657 1.975 17918 11468 1 18 . 1 1 80 80 GLY H H 83 10.009 10.009 7.964 2.045 17918 11469 1 18 . 1 1 81 81 GLU N N 84 120.322 120.322 122.345 -2.023 17918 11470 1 18 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.487 -0.256 17918 11471 1 18 . 1 1 81 81 GLU C C 84 178.456 178.456 176.180 2.276 17918 11472 1 18 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.135 3.592 17918 11473 1 18 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.623 2.098 17918 11474 1 18 . 1 1 81 81 GLU H H 84 7.812 7.812 8.757 -0.945 17918 11475 1 18 . 1 1 82 82 MET N N 85 117.156 117.156 117.622 -0.466 17918 11476 1 18 . 1 1 82 82 MET HA H 85 4.569 4.569 4.510 0.059 17918 11477 1 18 . 1 1 82 82 MET C C 85 176.991 176.991 175.883 1.108 17918 11478 1 18 . 1 1 82 82 MET CA C 85 53.174 53.174 55.463 -2.289 17918 11479 1 18 . 1 1 82 82 MET CB C 85 34.386 34.386 33.612 0.774 17918 11480 1 18 . 1 1 82 82 MET H H 85 8.601 8.601 8.293 0.308 17918 11481 1 18 . 1 1 83 83 MET N N 86 119.413 119.413 116.490 2.923 17918 11482 1 18 . 1 1 83 83 MET HA H 86 4.273 4.273 4.791 -0.518 17918 11483 1 18 . 1 1 83 83 MET C C 86 178.979 178.979 176.312 2.667 17918 11484 1 18 . 1 1 83 83 MET CA C 86 58.320 58.320 54.204 4.116 17918 11485 1 18 . 1 1 83 83 MET CB C 86 34.339 34.339 35.169 -0.830 17918 11486 1 18 . 1 1 83 83 MET H H 86 8.413 8.413 7.959 0.454 17918 11487 1 18 . 1 1 84 84 LYS N N 87 126.834 126.834 123.306 3.528 17918 11488 1 18 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.421 0.319 17918 11489 1 18 . 1 1 84 84 LYS C C 87 175.267 175.267 176.687 -1.420 17918 11490 1 18 . 1 1 84 84 LYS CA C 87 62.461 62.461 60.865 1.596 17918 11491 1 18 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.114 1.321 17918 11492 1 18 . 1 1 84 84 LYS H H 87 9.099 9.099 8.844 0.256 17918 11493 1 18 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.388 0.077 17918 11494 1 18 . 1 1 85 85 PRO C C 88 180.671 180.671 178.342 2.329 17918 11495 1 18 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.335 1.408 17918 11496 1 18 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.582 0.674 17918 11497 1 18 . 1 1 86 86 PHE N N 89 116.583 116.583 121.123 -4.540 17918 11498 1 18 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.164 -0.517 17918 11499 1 18 . 1 1 86 86 PHE C C 89 177.086 177.086 176.709 0.377 17918 11500 1 18 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.560 -0.076 17918 11501 1 18 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.299 2.211 17918 11502 1 18 . 1 1 86 86 PHE H H 89 7.102 7.102 7.466 -0.364 17918 11503 1 18 . 1 1 87 87 GLU N N 90 120.506 120.506 118.504 2.002 17918 11504 1 18 . 1 1 87 87 GLU HA H 90 3.724 3.724 4.024 -0.300 17918 11505 1 18 . 1 1 87 87 GLU C C 90 179.102 179.102 178.758 0.344 17918 11506 1 18 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.698 2.159 17918 11507 1 18 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.274 1.510 17918 11508 1 18 . 1 1 87 87 GLU H H 90 8.126 8.126 8.990 -0.864 17918 11509 1 18 . 1 1 88 88 ASP N N 91 118.355 118.355 119.871 -1.516 17918 11510 1 18 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.343 -0.108 17918 11511 1 18 . 1 1 88 88 ASP C C 91 180.067 180.067 177.925 2.142 17918 11512 1 18 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.469 0.834 17918 11513 1 18 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.701 0.325 17918 11514 1 18 . 1 1 88 88 ASP H H 91 9.121 9.121 7.982 1.139 17918 11515 1 18 . 1 1 89 89 ALA N N 92 121.718 121.718 121.377 0.341 17918 11516 1 18 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.131 -0.059 17918 11517 1 18 . 1 1 89 89 ALA C C 92 181.131 181.131 179.683 1.448 17918 11518 1 18 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.748 1.097 17918 11519 1 18 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.312 1.787 17918 11520 1 18 . 1 1 89 89 ALA H H 92 7.154 7.154 7.270 -0.116 17918 11521 1 18 . 1 1 90 90 VAL N N 93 117.315 117.315 118.487 -1.172 17918 11522 1 18 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.538 -0.123 17918 11523 1 18 . 1 1 90 90 VAL C C 93 178.908 178.908 177.868 1.040 17918 11524 1 18 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.212 1.542 17918 11525 1 18 . 1 1 90 90 VAL CB C 93 32.349 32.349 30.736 1.613 17918 11526 1 18 . 1 1 90 90 VAL H H 93 7.797 7.797 7.637 0.160 17918 11527 1 18 . 1 1 91 91 ARG N N 94 116.826 116.826 120.459 -3.633 17918 11528 1 18 . 1 1 91 91 ARG HA H 94 3.854 3.854 3.996 -0.142 17918 11529 1 18 . 1 1 91 91 ARG C C 94 177.858 177.858 178.780 -0.922 17918 11530 1 18 . 1 1 91 91 ARG CA C 94 60.466 60.466 59.434 1.032 17918 11531 1 18 . 1 1 91 91 ARG CB C 94 31.088 31.088 30.113 0.975 17918 11532 1 18 . 1 1 91 91 ARG H H 94 8.154 8.154 8.454 -0.300 17918 11533 1 18 . 1 1 92 92 ALA N N 95 118.849 118.849 122.272 -3.423 17918 11534 1 18 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.189 0.104 17918 11535 1 18 . 1 1 92 92 ALA C C 95 178.452 178.452 178.120 0.332 17918 11536 1 18 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.722 -0.245 17918 11537 1 18 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.078 1.069 17918 11538 1 18 . 1 1 92 92 ALA H H 95 7.067 7.067 7.475 -0.408 17918 11539 1 18 . 1 1 93 93 LEU N N 96 120.871 120.871 114.091 6.780 17918 11540 1 18 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.634 -0.120 17918 11541 1 18 . 1 1 93 93 LEU C C 96 179.045 179.045 175.492 3.553 17918 11542 1 18 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.503 1.660 17918 11543 1 18 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.233 1.699 17918 11544 1 18 . 1 1 93 93 LEU H H 96 7.396 7.396 7.514 -0.118 17918 11545 1 18 . 1 1 94 94 LYS N N 97 121.289 121.289 118.653 2.636 17918 11546 1 18 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.423 -0.015 17918 11547 1 18 . 1 1 94 94 LYS C C 97 178.629 178.629 176.229 2.400 17918 11548 1 18 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.289 2.005 17918 11549 1 18 . 1 1 94 94 LYS CB C 97 33.395 33.395 35.570 -2.175 17918 11550 1 18 . 1 1 94 94 LYS H H 97 8.274 8.274 8.271 0.003 17918 11551 1 18 . 1 1 95 95 ILE N N 98 122.343 122.343 121.220 1.123 17918 11552 1 18 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.646 -0.581 17918 11553 1 18 . 1 1 95 95 ILE C C 98 178.406 178.406 176.991 1.415 17918 11554 1 18 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.776 2.518 17918 11555 1 18 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.786 1.376 17918 11556 1 18 . 1 1 95 95 ILE H H 98 8.396 8.396 8.458 -0.062 17918 11557 1 18 . 1 1 96 96 GLY N N 99 118.074 118.074 116.466 1.608 17918 11558 1 18 . 1 1 96 96 GLY C C 99 174.605 174.605 174.310 0.295 17918 11559 1 18 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.498 1.675 17918 11560 1 18 . 1 1 96 96 GLY H H 99 8.988 8.988 8.814 0.174 17918 11561 1 18 . 1 1 97 97 ASP N N 100 121.984 121.984 122.008 -0.024 17918 11562 1 18 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.846 -0.051 17918 11563 1 18 . 1 1 97 97 ASP C C 100 175.344 175.344 175.204 0.140 17918 11564 1 18 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.051 0.986 17918 11565 1 18 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.856 1.097 17918 11566 1 18 . 1 1 97 97 ASP H H 100 7.978 7.978 8.362 -0.384 17918 11567 1 18 . 1 1 98 98 ILE N N 101 117.483 117.483 119.287 -1.804 17918 11568 1 18 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.481 0.679 17918 11569 1 18 . 1 1 98 98 ILE C C 101 178.147 178.147 175.877 2.270 17918 11570 1 18 . 1 1 98 98 ILE CA C 101 60.336 60.336 59.813 0.523 17918 11571 1 18 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.073 0.220 17918 11572 1 18 . 1 1 98 98 ILE H H 101 8.048 8.048 8.077 -0.029 17918 11573 1 18 . 1 1 99 99 SER N N 102 126.778 126.778 125.100 1.678 17918 11574 1 18 . 1 1 99 99 SER HA H 102 4.526 4.526 4.731 -0.205 17918 11575 1 18 . 1 1 99 99 SER C C 102 172.735 172.735 173.594 -0.859 17918 11576 1 18 . 1 1 99 99 SER CA C 102 59.441 59.441 56.753 2.688 17918 11577 1 18 . 1 1 99 99 SER CB C 102 64.572 64.572 63.268 1.304 17918 11578 1 18 . 1 1 99 99 SER H H 102 9.722 9.722 9.029 0.693 17918 11579 1 18 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.545 0.274 17918 11580 1 18 . 1 1 100 100 PRO C C 103 176.647 176.647 176.774 -0.127 17918 11581 1 18 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.373 0.755 17918 11582 1 18 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.684 0.755 17918 11583 1 18 . 1 1 101 101 ILE N N 104 120.048 120.048 119.101 0.947 17918 11584 1 18 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.276 0.031 17918 11585 1 18 . 1 1 101 101 ILE C C 104 178.021 178.021 176.465 1.556 17918 11586 1 18 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.911 3.230 17918 11587 1 18 . 1 1 101 101 ILE CB C 104 38.970 38.970 38.031 0.939 17918 11588 1 18 . 1 1 101 101 ILE H H 104 8.199 8.199 8.240 -0.041 17918 11589 1 18 . 1 1 102 102 VAL N N 105 130.676 130.676 128.680 1.996 17918 11590 1 18 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.377 -0.020 17918 11591 1 18 . 1 1 102 102 VAL C C 105 175.118 175.118 174.698 0.420 17918 11592 1 18 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.153 0.654 17918 11593 1 18 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.906 3.477 17918 11594 1 18 . 1 1 102 102 VAL H H 105 9.285 9.285 8.806 0.479 17918 11595 1 18 . 1 1 103 103 GLN N N 106 128.464 128.464 127.971 0.493 17918 11596 1 18 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.647 0.802 17918 11597 1 18 . 1 1 103 103 GLN C C 106 176.704 176.704 175.915 0.789 17918 11598 1 18 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.715 -0.655 17918 11599 1 18 . 1 1 103 103 GLN CB C 106 31.032 31.032 28.697 2.335 17918 11600 1 18 . 1 1 103 103 GLN H H 106 8.900 8.900 8.887 0.013 17918 11601 1 18 . 1 1 104 104 THR N N 107 116.680 116.680 119.425 -2.745 17918 11602 1 18 . 1 1 104 104 THR HA H 107 4.978 4.978 4.615 0.363 17918 11603 1 18 . 1 1 104 104 THR C C 107 177.189 177.189 174.152 3.037 17918 11604 1 18 . 1 1 104 104 THR CA C 107 61.836 61.836 59.991 1.845 17918 11605 1 18 . 1 1 104 104 THR CB C 107 73.663 73.663 70.456 3.207 17918 11606 1 18 . 1 1 104 104 THR H H 107 9.275 9.275 8.960 0.315 17918 11607 1 18 . 1 1 105 105 ASP N N 108 119.651 119.651 118.766 0.885 17918 11608 1 18 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.396 0.182 17918 11609 1 18 . 1 1 105 105 ASP C C 108 179.034 179.034 176.331 2.703 17918 11610 1 18 . 1 1 105 105 ASP CA C 108 57.955 57.955 56.545 1.410 17918 11611 1 18 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.575 1.440 17918 11612 1 18 . 1 1 105 105 ASP H H 108 8.945 8.945 8.665 0.280 17918 11613 1 18 . 1 1 106 106 SER N N 109 114.257 114.257 114.561 -0.304 17918 11614 1 18 . 1 1 106 106 SER HA H 109 4.642 4.642 4.298 0.344 17918 11615 1 18 . 1 1 106 106 SER C C 109 177.224 177.224 173.755 3.469 17918 11616 1 18 . 1 1 106 106 SER CA C 109 62.788 62.788 60.010 2.778 17918 11617 1 18 . 1 1 106 106 SER CB C 109 64.767 64.767 63.484 1.283 17918 11618 1 18 . 1 1 106 106 SER H H 109 8.968 8.968 8.272 0.696 17918 11619 1 18 . 1 1 107 107 GLY N N 110 111.288 111.288 106.487 4.801 17918 11620 1 18 . 1 1 107 107 GLY C C 110 169.468 169.468 172.319 -2.851 17918 11621 1 18 . 1 1 107 107 GLY CA C 110 46.698 46.698 44.644 2.054 17918 11622 1 18 . 1 1 107 107 GLY H H 110 7.829 7.829 7.766 0.063 17918 11623 1 18 . 1 1 108 108 LEU N N 111 122.506 122.506 121.230 1.276 17918 11624 1 18 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.211 0.160 17918 11625 1 18 . 1 1 108 108 LEU C C 111 175.948 175.948 175.602 0.346 17918 11626 1 18 . 1 1 108 108 LEU CA C 111 54.276 54.276 53.970 0.306 17918 11627 1 18 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.021 0.754 17918 11628 1 18 . 1 1 108 108 LEU H H 111 8.143 8.143 8.503 -0.360 17918 11629 1 18 . 1 1 109 109 HIS N N 112 119.518 119.518 122.848 -3.330 17918 11630 1 18 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.791 0.304 17918 11631 1 18 . 1 1 109 109 HIS C C 112 179.186 179.186 174.840 4.346 17918 11632 1 18 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.568 0.812 17918 11633 1 18 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.228 0.610 17918 11634 1 18 . 1 1 109 109 HIS H H 112 9.764 9.764 9.284 0.480 17918 11635 1 18 . 1 1 110 110 ILE N N 113 113.128 113.128 119.804 -6.676 17918 11636 1 18 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.900 -0.441 17918 11637 1 18 . 1 1 110 110 ILE C C 113 176.666 176.666 174.102 2.564 17918 11638 1 18 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.085 4.352 17918 11639 1 18 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.471 2.265 17918 11640 1 18 . 1 1 110 110 ILE H H 113 8.117 8.117 8.351 -0.234 17918 11641 1 18 . 1 1 111 111 ILE N N 114 125.121 125.121 123.860 1.261 17918 11642 1 18 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.036 -0.266 17918 11643 1 18 . 1 1 111 111 ILE C C 114 173.792 173.792 174.040 -0.248 17918 11644 1 18 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.525 2.459 17918 11645 1 18 . 1 1 111 111 ILE CB C 114 43.683 43.683 41.861 1.822 17918 11646 1 18 . 1 1 111 111 ILE H H 114 8.604 8.604 9.167 -0.563 17918 11647 1 18 . 1 1 112 112 LYS N N 115 127.966 127.966 122.697 5.269 17918 11648 1 18 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.291 -0.118 17918 11649 1 18 . 1 1 112 112 LYS C C 115 177.267 177.267 174.956 2.311 17918 11650 1 18 . 1 1 112 112 LYS CA C 115 54.375 54.375 53.772 0.603 17918 11651 1 18 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.039 0.474 17918 11652 1 18 . 1 1 112 112 LYS H H 115 9.075 9.075 8.843 0.232 17918 11653 1 18 . 1 1 113 113 ARG N N 116 126.762 126.762 123.852 2.910 17918 11654 1 18 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.170 0.165 17918 11655 1 18 . 1 1 113 113 ARG C C 116 176.109 176.109 175.939 0.170 17918 11656 1 18 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.277 1.546 17918 11657 1 18 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.226 0.631 17918 11658 1 18 . 1 1 113 113 ARG H H 116 7.830 7.830 8.491 -0.661 17918 11659 1 18 . 1 1 114 114 LEU N N 117 128.545 128.545 127.501 1.044 17918 11660 1 18 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.649 -0.026 17918 11661 1 18 . 1 1 114 114 LEU C C 117 176.857 176.857 175.685 1.172 17918 11662 1 18 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.990 1.002 17918 11663 1 18 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.808 1.331 17918 11664 1 18 . 1 1 114 114 LEU H H 117 8.534 8.534 8.990 -0.456 17918 11665 1 19 . 1 1 2 2 SER N N 5 117.478 117.478 118.402 -0.924 17918 11666 1 19 . 1 1 2 2 SER HA H 5 4.393 4.393 4.396 -0.003 17918 11667 1 19 . 1 1 2 2 SER C C 5 175.466 175.466 174.324 1.142 17918 11668 1 19 . 1 1 2 2 SER CA C 5 59.622 59.622 59.018 0.604 17918 11669 1 19 . 1 1 2 2 SER CB C 5 64.896 64.896 63.466 1.430 17918 11670 1 19 . 1 1 2 2 SER H H 5 8.317 8.317 7.954 0.363 17918 11671 1 19 . 1 1 3 3 GLU N N 6 123.783 123.783 120.305 3.478 17918 11672 1 19 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.191 0.087 17918 11673 1 19 . 1 1 3 3 GLU C C 6 177.189 177.189 174.933 2.256 17918 11674 1 19 . 1 1 3 3 GLU CA C 6 57.791 57.791 56.832 0.959 17918 11675 1 19 . 1 1 3 3 GLU CB C 6 31.568 31.568 29.509 2.059 17918 11676 1 19 . 1 1 3 3 GLU H H 6 8.359 8.359 8.190 0.169 17918 11677 1 19 . 1 1 4 4 LYS N N 7 122.875 122.875 123.021 -0.146 17918 11678 1 19 . 1 1 4 4 LYS HA H 7 4.514 4.514 5.301 -0.787 17918 11679 1 19 . 1 1 4 4 LYS C C 7 176.557 176.557 174.960 1.597 17918 11680 1 19 . 1 1 4 4 LYS CA C 7 56.826 56.826 55.061 1.765 17918 11681 1 19 . 1 1 4 4 LYS CB C 7 35.393 35.393 34.967 0.426 17918 11682 1 19 . 1 1 4 4 LYS H H 7 8.193 8.193 8.153 0.040 17918 11683 1 19 . 1 1 5 5 LEU N N 8 123.258 123.258 124.293 -1.035 17918 11684 1 19 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.867 -0.473 17918 11685 1 19 . 1 1 5 5 LEU C C 8 175.699 175.699 173.897 1.802 17918 11686 1 19 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.760 0.782 17918 11687 1 19 . 1 1 5 5 LEU CB C 8 46.512 46.512 47.592 -1.079 17918 11688 1 19 . 1 1 5 5 LEU H H 8 8.265 8.265 9.390 -1.125 17918 11689 1 19 . 1 1 6 6 ARG N N 9 117.197 117.197 119.586 -2.389 17918 11690 1 19 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.576 1.028 17918 11691 1 19 . 1 1 6 6 ARG C C 9 175.633 175.633 173.538 2.095 17918 11692 1 19 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.415 1.760 17918 11693 1 19 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.172 2.248 17918 11694 1 19 . 1 1 6 6 ARG H H 9 7.759 7.759 8.089 -0.330 17918 11695 1 19 . 1 1 7 7 ALA N N 10 126.954 126.954 126.807 0.147 17918 11696 1 19 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.069 0.071 17918 11697 1 19 . 1 1 7 7 ALA C C 10 174.004 174.004 174.815 -0.811 17918 11698 1 19 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.703 0.164 17918 11699 1 19 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.255 1.752 17918 11700 1 19 . 1 1 7 7 ALA H H 10 7.637 7.637 8.498 -0.861 17918 11701 1 19 . 1 1 8 8 ALA N N 11 122.081 122.081 123.247 -1.166 17918 11702 1 19 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.709 1.081 17918 11703 1 19 . 1 1 8 8 ALA C C 11 177.446 177.446 175.072 2.374 17918 11704 1 19 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.123 0.153 17918 11705 1 19 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.607 3.014 17918 11706 1 19 . 1 1 8 8 ALA H H 11 8.991 8.991 8.765 0.226 17918 11707 1 19 . 1 1 9 9 HIS N N 12 118.002 118.002 118.880 -0.878 17918 11708 1 19 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.604 0.525 17918 11709 1 19 . 1 1 9 9 HIS C C 12 172.689 172.689 172.641 0.048 17918 11710 1 19 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.816 1.280 17918 11711 1 19 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.104 5.628 17918 11712 1 19 . 1 1 9 9 HIS H H 12 9.489 9.489 7.936 1.553 17918 11713 1 19 . 1 1 10 10 LEU N N 13 126.276 126.276 120.966 5.310 17918 11714 1 19 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.917 -1.011 17918 11715 1 19 . 1 1 10 10 LEU C C 13 174.163 174.163 174.756 -0.593 17918 11716 1 19 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.417 3.286 17918 11717 1 19 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.116 -0.549 17918 11718 1 19 . 1 1 10 10 LEU H H 13 8.866 8.866 9.176 -0.310 17918 11719 1 19 . 1 1 11 11 LEU N N 14 127.134 127.134 127.554 -0.420 17918 11720 1 19 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.677 -0.939 17918 11721 1 19 . 1 1 11 11 LEU C C 14 175.626 175.626 174.727 0.899 17918 11722 1 19 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.354 0.249 17918 11723 1 19 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.966 -0.271 17918 11724 1 19 . 1 1 11 11 LEU H H 14 7.762 7.762 8.722 -0.960 17918 11725 1 19 . 1 1 12 12 VAL N N 15 129.450 129.450 127.810 1.640 17918 11726 1 19 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.690 -0.280 17918 11727 1 19 . 1 1 12 12 VAL C C 15 177.055 177.055 175.112 1.943 17918 11728 1 19 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.651 2.190 17918 11729 1 19 . 1 1 12 12 VAL CB C 15 34.389 34.389 33.052 1.337 17918 11730 1 19 . 1 1 12 12 VAL H H 15 9.667 9.667 9.024 0.643 17918 11731 1 19 . 1 1 13 13 LYS N N 16 127.188 127.188 128.684 -1.496 17918 11732 1 19 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.297 0.185 17918 11733 1 19 . 1 1 13 13 LYS C C 16 176.034 176.034 176.085 -0.051 17918 11734 1 19 . 1 1 13 13 LYS CA C 16 58.166 58.166 56.219 1.947 17918 11735 1 19 . 1 1 13 13 LYS CB C 16 37.794 37.794 32.877 4.917 17918 11736 1 19 . 1 1 13 13 LYS H H 16 9.138 9.138 9.635 -0.497 17918 11737 1 19 . 1 1 14 14 PHE N N 17 117.138 117.138 121.807 -4.669 17918 11738 1 19 . 1 1 14 14 PHE HA H 17 5.254 5.254 5.046 0.208 17918 11739 1 19 . 1 1 14 14 PHE C C 17 176.588 176.588 177.248 -0.660 17918 11740 1 19 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.279 2.309 17918 11741 1 19 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.211 0.149 17918 11742 1 19 . 1 1 14 14 PHE H H 17 8.617 8.617 8.355 0.262 17918 11743 1 19 . 1 1 15 15 SER N N 18 120.047 120.047 116.951 3.096 17918 11744 1 19 . 1 1 15 15 SER HA H 18 4.019 4.019 4.196 -0.177 17918 11745 1 19 . 1 1 15 15 SER C C 18 180.099 180.099 175.766 4.333 17918 11746 1 19 . 1 1 15 15 SER CA C 18 62.865 62.865 61.358 1.507 17918 11747 1 19 . 1 1 15 15 SER CB C 18 64.300 64.300 63.087 1.213 17918 11748 1 19 . 1 1 15 15 SER H H 18 9.437 9.437 9.059 0.378 17918 11749 1 19 . 1 1 16 16 GLY C C 19 175.458 175.458 174.382 1.076 17918 11750 1 19 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.708 1.074 17918 11751 1 19 . 1 1 17 17 SER N N 20 120.550 120.550 114.477 6.073 17918 11752 1 19 . 1 1 17 17 SER HA H 20 3.839 3.839 4.085 -0.246 17918 11753 1 19 . 1 1 17 17 SER C C 20 174.702 174.702 175.212 -0.510 17918 11754 1 19 . 1 1 17 17 SER CA C 20 62.099 62.099 57.889 4.210 17918 11755 1 19 . 1 1 17 17 SER CB C 20 65.081 65.081 63.827 1.254 17918 11756 1 19 . 1 1 17 17 SER H H 20 7.236 7.236 7.306 -0.070 17918 11757 1 19 . 1 1 18 18 ARG N N 21 123.998 123.998 122.289 1.709 17918 11758 1 19 . 1 1 18 18 ARG HA H 21 4.063 4.063 3.987 0.076 17918 11759 1 19 . 1 1 18 18 ARG C C 21 177.005 177.005 176.708 0.297 17918 11760 1 19 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.649 0.946 17918 11761 1 19 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.447 -0.341 17918 11762 1 19 . 1 1 18 18 ARG H H 21 8.544 8.544 8.500 0.044 17918 11763 1 19 . 1 1 19 19 ASN N N 22 116.403 116.403 116.178 0.225 17918 11764 1 19 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.041 0.223 17918 11765 1 19 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.717 0.103 17918 11766 1 19 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.689 0.807 17918 11767 1 19 . 1 1 19 19 ASN H H 22 8.412 8.412 7.524 0.888 17918 11768 1 19 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.571 -0.233 17918 11769 1 19 . 1 1 20 20 PRO C C 23 176.381 176.381 175.425 0.956 17918 11770 1 19 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.276 2.288 17918 11771 1 19 . 1 1 20 20 PRO CB C 23 29.310 29.310 31.111 -1.801 17918 11772 1 19 . 1 1 21 21 VAL N N 24 126.905 126.905 115.715 11.190 17918 11773 1 19 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.529 -0.181 17918 11774 1 19 . 1 1 21 21 VAL C C 24 176.393 176.393 173.692 2.701 17918 11775 1 19 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.245 3.594 17918 11776 1 19 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.839 0.147 17918 11777 1 19 . 1 1 21 21 VAL H H 24 8.810 8.810 7.094 1.716 17918 11778 1 19 . 1 1 22 22 SER N N 25 121.164 121.164 118.848 2.316 17918 11779 1 19 . 1 1 22 22 SER HA H 25 4.296 4.296 4.899 -0.603 17918 11780 1 19 . 1 1 22 22 SER C C 25 178.264 178.264 175.315 2.949 17918 11781 1 19 . 1 1 22 22 SER CA C 25 59.682 59.682 56.628 3.054 17918 11782 1 19 . 1 1 22 22 SER CB C 25 64.553 64.553 66.951 -2.398 17918 11783 1 19 . 1 1 22 22 SER H H 25 8.657 8.657 7.859 0.798 17918 11784 1 19 . 1 1 23 23 ARG N N 26 129.578 129.578 122.520 7.058 17918 11785 1 19 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.938 0.406 17918 11786 1 19 . 1 1 23 23 ARG C C 26 176.541 176.541 177.532 -0.991 17918 11787 1 19 . 1 1 23 23 ARG CA C 26 57.260 57.260 57.474 -0.214 17918 11788 1 19 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.822 1.060 17918 11789 1 19 . 1 1 23 23 ARG H H 26 8.837 8.837 8.950 -0.113 17918 11790 1 19 . 1 1 24 24 ARG N N 27 119.514 119.514 115.404 4.110 17918 11791 1 19 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.171 -0.381 17918 11792 1 19 . 1 1 24 24 ARG C C 27 177.905 177.905 177.362 0.543 17918 11793 1 19 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.342 0.474 17918 11794 1 19 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.443 2.621 17918 11795 1 19 . 1 1 24 24 ARG H H 27 7.439 7.439 8.350 -0.911 17918 11796 1 19 . 1 1 25 25 THR N N 28 127.221 127.221 107.063 20.158 17918 11797 1 19 . 1 1 25 25 THR HA H 28 4.258 4.258 4.426 -0.168 17918 11798 1 19 . 1 1 25 25 THR C C 28 177.078 177.078 176.006 1.072 17918 11799 1 19 . 1 1 25 25 THR CA C 28 62.291 62.291 62.113 0.178 17918 11800 1 19 . 1 1 25 25 THR CB C 28 71.224 71.224 71.568 -0.344 17918 11801 1 19 . 1 1 25 25 THR H H 28 7.088 7.088 7.607 -0.519 17918 11802 1 19 . 1 1 26 26 GLY N N 29 110.483 110.483 111.877 -1.394 17918 11803 1 19 . 1 1 26 26 GLY C C 29 174.471 174.471 173.651 0.820 17918 11804 1 19 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.845 0.624 17918 11805 1 19 . 1 1 26 26 GLY H H 29 7.678 7.678 8.683 -1.005 17918 11806 1 19 . 1 1 27 27 ASP N N 30 120.302 120.302 120.099 0.203 17918 11807 1 19 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.800 -0.037 17918 11808 1 19 . 1 1 27 27 ASP C C 30 177.147 177.147 174.593 2.554 17918 11809 1 19 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.208 0.555 17918 11810 1 19 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.342 0.608 17918 11811 1 19 . 1 1 27 27 ASP H H 30 8.128 8.128 8.508 -0.380 17918 11812 1 19 . 1 1 28 28 SER N N 31 113.726 113.726 114.699 -0.973 17918 11813 1 19 . 1 1 28 28 SER HA H 31 4.629 4.629 5.056 -0.426 17918 11814 1 19 . 1 1 28 28 SER C C 31 178.127 178.127 173.682 4.445 17918 11815 1 19 . 1 1 28 28 SER CA C 31 58.869 58.869 57.783 1.086 17918 11816 1 19 . 1 1 28 28 SER CB C 31 64.796 64.796 66.743 -1.947 17918 11817 1 19 . 1 1 28 28 SER H H 31 8.633 8.633 7.712 0.921 17918 11818 1 19 . 1 1 29 29 THR N N 32 120.655 120.655 118.450 2.205 17918 11819 1 19 . 1 1 29 29 THR HA H 32 4.589 4.589 4.850 -0.261 17918 11820 1 19 . 1 1 29 29 THR C C 32 176.368 176.368 173.976 2.392 17918 11821 1 19 . 1 1 29 29 THR CA C 32 62.892 62.892 61.129 1.763 17918 11822 1 19 . 1 1 29 29 THR CB C 32 69.624 69.624 68.910 0.714 17918 11823 1 19 . 1 1 29 29 THR H H 32 8.397 8.397 8.941 -0.544 17918 11824 1 19 . 1 1 30 30 ALA N N 33 124.923 124.923 124.067 0.856 17918 11825 1 19 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.359 -0.564 17918 11826 1 19 . 1 1 30 30 ALA C C 33 177.708 177.708 176.657 1.051 17918 11827 1 19 . 1 1 30 30 ALA CA C 33 55.828 55.828 53.321 2.507 17918 11828 1 19 . 1 1 30 30 ALA CB C 33 19.849 19.849 18.254 1.595 17918 11829 1 19 . 1 1 30 30 ALA H H 33 8.251 8.251 8.404 -0.153 17918 11830 1 19 . 1 1 31 31 ASP N N 34 114.016 114.016 116.250 -2.234 17918 11831 1 19 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.619 0.112 17918 11832 1 19 . 1 1 31 31 ASP C C 34 176.973 176.973 176.605 0.368 17918 11833 1 19 . 1 1 31 31 ASP CA C 34 54.581 54.581 53.614 0.967 17918 11834 1 19 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.616 0.284 17918 11835 1 19 . 1 1 31 31 ASP H H 34 8.398 8.398 7.960 0.438 17918 11836 1 19 . 1 1 32 32 VAL N N 35 123.637 123.637 121.207 2.430 17918 11837 1 19 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.418 -0.158 17918 11838 1 19 . 1 1 32 32 VAL C C 35 177.725 177.725 174.414 3.311 17918 11839 1 19 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.692 2.800 17918 11840 1 19 . 1 1 32 32 VAL CB C 35 33.757 33.757 34.179 -0.423 17918 11841 1 19 . 1 1 32 32 VAL H H 35 7.323 7.323 7.439 -0.116 17918 11842 1 19 . 1 1 33 33 THR N N 36 121.552 121.552 119.441 2.111 17918 11843 1 19 . 1 1 33 33 THR HA H 36 4.642 4.642 4.705 -0.063 17918 11844 1 19 . 1 1 33 33 THR C C 36 176.268 176.268 175.202 1.066 17918 11845 1 19 . 1 1 33 33 THR CA C 36 62.597 62.597 59.583 3.014 17918 11846 1 19 . 1 1 33 33 THR CB C 36 72.388 72.388 71.004 1.384 17918 11847 1 19 . 1 1 33 33 THR H H 36 9.078 9.078 8.031 1.047 17918 11848 1 19 . 1 1 34 34 TYR N N 37 122.486 122.486 120.972 1.514 17918 11849 1 19 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.763 -0.329 17918 11850 1 19 . 1 1 34 34 TYR C C 37 177.216 177.216 177.049 0.167 17918 11851 1 19 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.257 1.784 17918 11852 1 19 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.659 2.835 17918 11853 1 19 . 1 1 34 34 TYR H H 37 9.247 9.247 8.763 0.484 17918 11854 1 19 . 1 1 35 35 GLU N N 38 116.626 116.626 119.839 -3.213 17918 11855 1 19 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.542 0.137 17918 11856 1 19 . 1 1 35 35 GLU C C 38 180.453 180.453 178.857 1.596 17918 11857 1 19 . 1 1 35 35 GLU CA C 38 61.445 61.445 60.026 1.419 17918 11858 1 19 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.508 1.651 17918 11859 1 19 . 1 1 35 35 GLU H H 38 8.782 8.782 8.075 0.707 17918 11860 1 19 . 1 1 36 36 ASP N N 39 120.670 120.670 119.576 1.094 17918 11861 1 19 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.379 -0.007 17918 11862 1 19 . 1 1 36 36 ASP C C 39 180.015 180.015 178.315 1.700 17918 11863 1 19 . 1 1 36 36 ASP CA C 39 58.219 58.219 56.925 1.294 17918 11864 1 19 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.953 0.281 17918 11865 1 19 . 1 1 36 36 ASP H H 39 7.916 7.916 7.565 0.351 17918 11866 1 19 . 1 1 37 37 ALA N N 40 126.126 126.126 123.255 2.871 17918 11867 1 19 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.091 -0.251 17918 11868 1 19 . 1 1 37 37 ALA C C 40 179.923 179.923 179.258 0.665 17918 11869 1 19 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.216 1.129 17918 11870 1 19 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.612 1.241 17918 11871 1 19 . 1 1 37 37 ALA H H 40 8.318 8.318 8.237 0.081 17918 11872 1 19 . 1 1 38 38 ILE N N 41 118.850 118.850 118.827 0.023 17918 11873 1 19 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.560 -0.092 17918 11874 1 19 . 1 1 38 38 ILE C C 41 179.106 179.106 178.059 1.047 17918 11875 1 19 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.032 -0.653 17918 11876 1 19 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.834 -0.543 17918 11877 1 19 . 1 1 38 38 ILE H H 41 8.151 8.151 8.010 0.141 17918 11878 1 19 . 1 1 39 39 LYS N N 42 120.585 120.585 118.564 2.021 17918 11879 1 19 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.820 0.164 17918 11880 1 19 . 1 1 39 39 LYS C C 42 180.883 180.883 178.548 2.335 17918 11881 1 19 . 1 1 39 39 LYS CA C 42 60.885 60.885 60.084 0.801 17918 11882 1 19 . 1 1 39 39 LYS CB C 42 33.541 33.541 31.963 1.578 17918 11883 1 19 . 1 1 39 39 LYS H H 42 7.519 7.519 7.999 -0.480 17918 11884 1 19 . 1 1 40 40 GLU N N 43 121.167 121.167 120.191 0.976 17918 11885 1 19 . 1 1 40 40 GLU HA H 43 4.316 4.316 3.964 0.352 17918 11886 1 19 . 1 1 40 40 GLU C C 43 179.969 179.969 178.810 1.159 17918 11887 1 19 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.431 0.575 17918 11888 1 19 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.367 1.374 17918 11889 1 19 . 1 1 40 40 GLU H H 43 7.911 7.911 7.703 0.208 17918 11890 1 19 . 1 1 41 41 LEU N N 44 121.081 121.081 120.204 0.877 17918 11891 1 19 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.219 -0.028 17918 11892 1 19 . 1 1 41 41 LEU C C 44 180.778 180.778 179.781 0.997 17918 11893 1 19 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.464 0.469 17918 11894 1 19 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.521 1.364 17918 11895 1 19 . 1 1 41 41 LEU H H 44 8.424 8.424 7.683 0.741 17918 11896 1 19 . 1 1 42 42 GLN N N 45 121.129 121.129 119.330 1.799 17918 11897 1 19 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.256 -0.227 17918 11898 1 19 . 1 1 42 42 GLN C C 45 179.911 179.911 178.978 0.933 17918 11899 1 19 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.020 2.339 17918 11900 1 19 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.443 0.579 17918 11901 1 19 . 1 1 42 42 GLN H H 45 8.971 8.971 8.163 0.808 17918 11902 1 19 . 1 1 43 43 LYS N N 46 121.830 121.830 121.073 0.757 17918 11903 1 19 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.965 0.042 17918 11904 1 19 . 1 1 43 43 LYS C C 46 180.898 180.898 178.937 1.961 17918 11905 1 19 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.609 1.035 17918 11906 1 19 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.032 0.432 17918 11907 1 19 . 1 1 43 43 LYS H H 46 7.769 7.769 7.959 -0.190 17918 11908 1 19 . 1 1 44 44 TRP N N 47 119.737 119.737 120.909 -1.172 17918 11909 1 19 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.299 -0.343 17918 11910 1 19 . 1 1 44 44 TRP C C 47 179.173 179.173 178.334 0.839 17918 11911 1 19 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.547 3.499 17918 11912 1 19 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.712 -0.097 17918 11913 1 19 . 1 1 44 44 TRP H H 47 8.002 8.002 8.249 -0.247 17918 11914 1 19 . 1 1 45 45 SER N N 48 114.940 114.940 113.974 0.966 17918 11915 1 19 . 1 1 45 45 SER HA H 48 4.072 4.072 4.026 0.046 17918 11916 1 19 . 1 1 45 45 SER C C 48 178.249 178.249 177.019 1.230 17918 11917 1 19 . 1 1 45 45 SER CA C 48 63.707 63.707 60.837 2.870 17918 11918 1 19 . 1 1 45 45 SER H H 48 8.901 8.901 8.695 0.206 17918 11919 1 19 . 1 1 46 46 GLN N N 49 121.411 121.411 122.567 -1.156 17918 11920 1 19 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.067 0.130 17918 11921 1 19 . 1 1 46 46 GLN C C 49 179.809 179.809 177.965 1.844 17918 11922 1 19 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.958 0.901 17918 11923 1 19 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.696 0.497 17918 11924 1 19 . 1 1 46 46 GLN H H 49 7.950 7.950 7.766 0.184 17918 11925 1 19 . 1 1 47 47 ARG N N 50 121.809 121.809 120.026 1.783 17918 11926 1 19 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.368 -0.317 17918 11927 1 19 . 1 1 47 47 ARG C C 50 179.464 179.464 179.333 0.131 17918 11928 1 19 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.555 1.492 17918 11929 1 19 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.530 1.463 17918 11930 1 19 . 1 1 47 47 ARG H H 50 7.834 7.834 7.866 -0.032 17918 11931 1 19 . 1 1 48 48 ILE N N 51 120.569 120.569 118.545 2.024 17918 11932 1 19 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.283 0.205 17918 11933 1 19 . 1 1 48 48 ILE C C 51 181.848 181.848 177.887 3.961 17918 11934 1 19 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.510 0.053 17918 11935 1 19 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.904 2.789 17918 11936 1 19 . 1 1 48 48 ILE H H 51 8.127 8.127 8.752 -0.625 17918 11937 1 19 . 1 1 49 49 ALA N N 52 124.538 124.538 120.724 3.814 17918 11938 1 19 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.163 0.046 17918 11939 1 19 . 1 1 49 49 ALA C C 52 181.120 181.120 178.789 2.331 17918 11940 1 19 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.125 2.294 17918 11941 1 19 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.072 0.344 17918 11942 1 19 . 1 1 49 49 ALA H H 52 8.526 8.526 7.442 1.084 17918 11943 1 19 . 1 1 50 50 SER N N 53 111.097 111.097 113.794 -2.697 17918 11944 1 19 . 1 1 50 50 SER HA H 53 4.428 4.428 4.332 0.096 17918 11945 1 19 . 1 1 50 50 SER C C 53 176.608 176.608 176.195 0.413 17918 11946 1 19 . 1 1 50 50 SER CA C 53 60.248 60.248 59.413 0.835 17918 11947 1 19 . 1 1 50 50 SER CB C 53 65.098 65.098 64.376 0.722 17918 11948 1 19 . 1 1 50 50 SER H H 53 8.124 8.124 8.396 -0.272 17918 11949 1 19 . 1 1 51 51 GLY N N 54 110.581 110.581 109.402 1.179 17918 11950 1 19 . 1 1 51 51 GLY C C 54 175.699 175.699 174.968 0.731 17918 11951 1 19 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.828 1.603 17918 11952 1 19 . 1 1 51 51 GLY H H 54 7.904 7.904 8.279 -0.375 17918 11953 1 19 . 1 1 52 52 GLU N N 55 122.231 122.231 121.156 1.075 17918 11954 1 19 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.123 -0.120 17918 11955 1 19 . 1 1 52 52 GLU C C 55 177.647 177.647 176.747 0.900 17918 11956 1 19 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.503 1.585 17918 11957 1 19 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.315 1.308 17918 11958 1 19 . 1 1 52 52 GLU H H 55 8.204 8.204 7.935 0.269 17918 11959 1 19 . 1 1 53 53 VAL N N 56 111.615 111.615 111.704 -0.089 17918 11960 1 19 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.460 0.119 17918 11961 1 19 . 1 1 53 53 VAL C C 56 175.225 175.225 174.460 0.765 17918 11962 1 19 . 1 1 53 53 VAL CA C 56 59.684 59.684 60.478 -0.794 17918 11963 1 19 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.295 1.238 17918 11964 1 19 . 1 1 53 53 VAL H H 56 7.274 7.274 7.383 -0.109 17918 11965 1 19 . 1 1 54 54 SER N N 57 119.532 119.532 116.199 3.333 17918 11966 1 19 . 1 1 54 54 SER HA H 57 4.692 4.692 4.701 -0.009 17918 11967 1 19 . 1 1 54 54 SER C C 57 176.092 176.092 175.560 0.532 17918 11968 1 19 . 1 1 54 54 SER CA C 57 58.189 58.189 57.858 0.332 17918 11969 1 19 . 1 1 54 54 SER CB C 57 66.447 66.447 64.760 1.687 17918 11970 1 19 . 1 1 54 54 SER H H 57 8.637 8.637 8.217 0.420 17918 11971 1 19 . 1 1 55 55 PHE N N 58 123.609 123.609 122.466 1.143 17918 11972 1 19 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.159 -0.505 17918 11973 1 19 . 1 1 55 55 PHE C C 58 177.469 177.469 176.842 0.627 17918 11974 1 19 . 1 1 55 55 PHE CA C 58 63.857 63.857 62.080 1.777 17918 11975 1 19 . 1 1 55 55 PHE CB C 58 40.966 40.966 39.341 1.625 17918 11976 1 19 . 1 1 55 55 PHE H H 58 9.326 9.326 9.129 0.197 17918 11977 1 19 . 1 1 56 56 GLU N N 59 116.994 116.994 118.149 -1.155 17918 11978 1 19 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.171 0.034 17918 11979 1 19 . 1 1 56 56 GLU C C 59 180.852 180.852 178.913 1.939 17918 11980 1 19 . 1 1 56 56 GLU CA C 59 61.367 61.367 60.154 1.213 17918 11981 1 19 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.528 1.302 17918 11982 1 19 . 1 1 56 56 GLU H H 59 9.464 9.464 8.677 0.787 17918 11983 1 19 . 1 1 57 57 GLU N N 60 122.452 122.452 118.821 3.631 17918 11984 1 19 . 1 1 57 57 GLU HA H 60 4.023 4.023 3.983 0.040 17918 11985 1 19 . 1 1 57 57 GLU C C 60 179.899 179.899 178.527 1.372 17918 11986 1 19 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.898 1.115 17918 11987 1 19 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.131 2.054 17918 11988 1 19 . 1 1 57 57 GLU H H 60 7.978 7.978 7.723 0.255 17918 11989 1 19 . 1 1 58 58 ALA N N 61 123.053 123.053 121.538 1.515 17918 11990 1 19 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.136 0.445 17918 11991 1 19 . 1 1 58 58 ALA C C 61 179.854 179.854 178.977 0.877 17918 11992 1 19 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.448 1.433 17918 11993 1 19 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.590 2.470 17918 11994 1 19 . 1 1 58 58 ALA H H 61 8.157 8.157 7.147 1.010 17918 11995 1 19 . 1 1 59 59 ALA N N 62 120.029 120.029 120.750 -0.721 17918 11996 1 19 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.981 -0.429 17918 11997 1 19 . 1 1 59 59 ALA C C 62 181.080 181.080 180.180 0.900 17918 11998 1 19 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.053 1.365 17918 11999 1 19 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.346 -0.304 17918 12000 1 19 . 1 1 59 59 ALA H H 62 8.540 8.540 8.580 -0.040 17918 12001 1 19 . 1 1 60 60 SER N N 63 113.010 113.010 111.852 1.158 17918 12002 1 19 . 1 1 60 60 SER HA H 63 4.766 4.766 4.417 0.349 17918 12003 1 19 . 1 1 60 60 SER C C 63 176.299 176.299 175.823 0.476 17918 12004 1 19 . 1 1 60 60 SER CA C 63 62.414 62.414 61.155 1.259 17918 12005 1 19 . 1 1 60 60 SER CB C 63 64.687 64.687 63.315 1.372 17918 12006 1 19 . 1 1 60 60 SER H H 63 8.013 8.013 7.827 0.186 17918 12007 1 19 . 1 1 61 61 GLN N N 64 115.830 115.830 117.493 -1.663 17918 12008 1 19 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.351 -0.221 17918 12009 1 19 . 1 1 61 61 GLN C C 64 178.579 178.579 177.406 1.173 17918 12010 1 19 . 1 1 61 61 GLN CA C 64 58.366 58.366 58.041 0.326 17918 12011 1 19 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.506 1.870 17918 12012 1 19 . 1 1 61 61 GLN H H 64 7.496 7.496 7.480 0.016 17918 12013 1 19 . 1 1 62 62 ARG N N 65 115.716 115.716 117.393 -1.677 17918 12014 1 19 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.431 0.030 17918 12015 1 19 . 1 1 62 62 ARG C C 65 176.601 176.601 177.125 -0.524 17918 12016 1 19 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.329 -2.698 17918 12017 1 19 . 1 1 62 62 ARG CB C 65 32.656 32.656 30.790 1.866 17918 12018 1 19 . 1 1 62 62 ARG H H 65 7.693 7.693 8.263 -0.570 17918 12019 1 19 . 1 1 63 63 SER N N 66 114.680 114.680 116.504 -1.824 17918 12020 1 19 . 1 1 63 63 SER HA H 66 4.222 4.222 4.653 -0.431 17918 12021 1 19 . 1 1 63 63 SER C C 66 177.034 177.034 175.313 1.721 17918 12022 1 19 . 1 1 63 63 SER CA C 66 59.677 59.677 59.194 0.483 17918 12023 1 19 . 1 1 63 63 SER CB C 66 65.786 65.786 63.509 2.277 17918 12024 1 19 . 1 1 63 63 SER H H 66 8.528 8.528 7.730 0.798 17918 12025 1 19 . 1 1 64 64 ASP N N 67 123.612 123.612 125.366 -1.754 17918 12026 1 19 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.472 0.427 17918 12027 1 19 . 1 1 64 64 ASP C C 67 176.674 176.674 176.361 0.313 17918 12028 1 19 . 1 1 64 64 ASP CA C 67 55.991 55.991 54.559 1.431 17918 12029 1 19 . 1 1 64 64 ASP CB C 67 43.657 43.657 40.638 3.019 17918 12030 1 19 . 1 1 64 64 ASP H H 67 9.645 9.645 8.523 1.122 17918 12031 1 19 . 1 1 65 65 CYS N N 68 124.716 124.716 119.432 5.284 17918 12032 1 19 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.540 -0.095 17918 12033 1 19 . 1 1 65 65 CYS C C 68 177.747 177.747 177.183 0.564 17918 12034 1 19 . 1 1 65 65 CYS CA C 68 60.118 60.118 58.242 1.875 17918 12035 1 19 . 1 1 65 65 CYS CB C 68 30.459 30.459 30.115 0.344 17918 12036 1 19 . 1 1 65 65 CYS H H 68 7.903 7.903 7.443 0.460 17918 12037 1 19 . 1 1 66 66 GLY N N 69 118.503 118.503 112.603 5.900 17918 12038 1 19 . 1 1 66 66 GLY C C 69 175.872 175.872 175.612 0.260 17918 12039 1 19 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.181 1.761 17918 12040 1 19 . 1 1 66 66 GLY H H 69 8.811 8.811 8.980 -0.169 17918 12041 1 19 . 1 1 67 67 SER N N 70 120.316 120.316 117.719 2.597 17918 12042 1 19 . 1 1 67 67 SER HA H 70 4.245 4.245 4.080 0.165 17918 12043 1 19 . 1 1 67 67 SER C C 70 178.404 178.404 175.946 2.458 17918 12044 1 19 . 1 1 67 67 SER CA C 70 61.611 61.611 60.403 1.208 17918 12045 1 19 . 1 1 67 67 SER CB C 70 64.297 64.297 62.746 1.551 17918 12046 1 19 . 1 1 67 67 SER H H 70 9.556 9.556 7.721 1.835 17918 12047 1 19 . 1 1 68 68 TYR N N 71 129.376 129.376 121.047 8.329 17918 12048 1 19 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.287 -0.256 17918 12049 1 19 . 1 1 68 68 TYR C C 71 177.613 177.613 176.586 1.027 17918 12050 1 19 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.011 3.381 17918 12051 1 19 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.904 -0.107 17918 12052 1 19 . 1 1 68 68 TYR H H 71 8.584 8.584 8.263 0.321 17918 12053 1 19 . 1 1 69 69 ALA N N 72 122.673 122.673 119.270 3.403 17918 12054 1 19 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.892 -0.247 17918 12055 1 19 . 1 1 69 69 ALA C C 72 179.011 179.011 178.133 0.878 17918 12056 1 19 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.113 1.177 17918 12057 1 19 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.106 1.015 17918 12058 1 19 . 1 1 69 69 ALA H H 72 5.645 5.645 7.099 -1.454 17918 12059 1 19 . 1 1 70 70 SER N N 73 114.496 114.496 112.585 1.911 17918 12060 1 19 . 1 1 70 70 SER HA H 73 4.782 4.782 4.535 0.247 17918 12061 1 19 . 1 1 70 70 SER C C 73 177.320 177.320 174.604 2.716 17918 12062 1 19 . 1 1 70 70 SER CA C 73 57.287 57.287 57.903 -0.616 17918 12063 1 19 . 1 1 70 70 SER CB C 73 64.538 64.538 64.595 -0.057 17918 12064 1 19 . 1 1 70 70 SER H H 73 7.654 7.654 7.443 0.211 17918 12065 1 19 . 1 1 71 71 GLY N N 74 112.182 112.182 108.511 3.671 17918 12066 1 19 . 1 1 71 71 GLY C C 74 174.379 174.379 174.970 -0.591 17918 12067 1 19 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.361 3.073 17918 12068 1 19 . 1 1 71 71 GLY H H 74 7.933 7.933 7.316 0.617 17918 12069 1 19 . 1 1 72 72 GLY N N 75 126.463 126.463 108.512 17.951 17918 12070 1 19 . 1 1 72 72 GLY C C 75 175.121 175.121 172.219 2.902 17918 12071 1 19 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.460 0.612 17918 12072 1 19 . 1 1 72 72 GLY H H 75 7.994 7.994 8.340 -0.346 17918 12073 1 19 . 1 1 73 73 ASP N N 76 118.815 118.815 120.505 -1.690 17918 12074 1 19 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.462 -0.048 17918 12075 1 19 . 1 1 73 73 ASP C C 76 177.362 177.362 174.798 2.564 17918 12076 1 19 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.551 2.572 17918 12077 1 19 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.605 -0.154 17918 12078 1 19 . 1 1 73 73 ASP H H 76 6.956 6.956 7.547 -0.591 17918 12079 1 19 . 1 1 74 74 LEU N N 77 128.720 128.720 123.254 5.466 17918 12080 1 19 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.563 -0.208 17918 12081 1 19 . 1 1 74 74 LEU C C 77 179.412 179.412 177.059 2.353 17918 12082 1 19 . 1 1 74 74 LEU CA C 77 56.134 56.134 54.411 1.723 17918 12083 1 19 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.925 0.917 17918 12084 1 19 . 1 1 74 74 LEU H H 77 8.694 8.694 8.329 0.365 17918 12085 1 19 . 1 1 75 75 GLY N N 78 109.695 109.695 107.751 1.944 17918 12086 1 19 . 1 1 75 75 GLY C C 78 173.473 173.473 173.512 -0.039 17918 12087 1 19 . 1 1 75 75 GLY CA C 78 45.346 45.346 43.994 1.352 17918 12088 1 19 . 1 1 75 75 GLY H H 78 8.682 8.682 7.401 1.281 17918 12089 1 19 . 1 1 76 76 PHE N N 79 115.646 115.646 119.803 -4.157 17918 12090 1 19 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.402 0.817 17918 12091 1 19 . 1 1 76 76 PHE C C 79 178.904 178.904 174.659 4.245 17918 12092 1 19 . 1 1 76 76 PHE CA C 79 59.456 59.456 56.914 2.542 17918 12093 1 19 . 1 1 76 76 PHE CB C 79 41.817 41.817 37.899 3.918 17918 12094 1 19 . 1 1 76 76 PHE H H 79 8.203 8.203 8.056 0.147 17918 12095 1 19 . 1 1 77 77 PHE N N 80 119.508 119.508 119.798 -0.290 17918 12096 1 19 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.039 0.098 17918 12097 1 19 . 1 1 77 77 PHE C C 80 174.331 174.331 174.278 0.053 17918 12098 1 19 . 1 1 77 77 PHE CA C 80 56.896 56.896 54.537 2.359 17918 12099 1 19 . 1 1 77 77 PHE CB C 80 42.463 42.463 40.823 1.640 17918 12100 1 19 . 1 1 77 77 PHE H H 80 9.112 9.112 8.467 0.645 17918 12101 1 19 . 1 1 78 78 SER N N 81 116.578 116.578 116.141 0.437 17918 12102 1 19 . 1 1 78 78 SER HA H 81 4.957 4.957 5.068 -0.111 17918 12103 1 19 . 1 1 78 78 SER C C 81 176.191 176.191 175.997 0.194 17918 12104 1 19 . 1 1 78 78 SER CA C 81 58.065 58.065 57.365 0.700 17918 12105 1 19 . 1 1 78 78 SER CB C 81 66.514 66.514 65.302 1.212 17918 12106 1 19 . 1 1 78 78 SER H H 81 8.930 8.930 8.353 0.577 17918 12107 1 19 . 1 1 79 79 SER N N 82 118.715 118.715 121.691 -2.976 17918 12108 1 19 . 1 1 79 79 SER HA H 82 4.420 4.420 4.289 0.131 17918 12109 1 19 . 1 1 79 79 SER C C 82 176.946 176.946 176.396 0.550 17918 12110 1 19 . 1 1 79 79 SER CA C 82 60.988 60.988 60.613 0.375 17918 12111 1 19 . 1 1 79 79 SER CB C 82 64.242 64.242 62.423 1.819 17918 12112 1 19 . 1 1 79 79 SER H H 82 8.751 8.751 8.855 -0.104 17918 12113 1 19 . 1 1 80 80 GLY N N 83 117.069 117.069 108.934 8.135 17918 12114 1 19 . 1 1 80 80 GLY C C 83 175.628 175.628 173.902 1.726 17918 12115 1 19 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.712 1.920 17918 12116 1 19 . 1 1 80 80 GLY H H 83 10.009 10.009 8.205 1.804 17918 12117 1 19 . 1 1 81 81 GLU N N 84 120.322 120.322 120.199 0.123 17918 12118 1 19 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.402 -0.171 17918 12119 1 19 . 1 1 81 81 GLU C C 84 178.456 178.456 177.008 1.448 17918 12120 1 19 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.654 3.073 17918 12121 1 19 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.769 1.952 17918 12122 1 19 . 1 1 81 81 GLU H H 84 7.812 7.812 8.318 -0.506 17918 12123 1 19 . 1 1 82 82 MET N N 85 117.156 117.156 117.749 -0.593 17918 12124 1 19 . 1 1 82 82 MET HA H 85 4.569 4.569 4.586 -0.017 17918 12125 1 19 . 1 1 82 82 MET C C 85 176.991 176.991 175.524 1.467 17918 12126 1 19 . 1 1 82 82 MET CA C 85 53.174 53.174 54.679 -1.505 17918 12127 1 19 . 1 1 82 82 MET CB C 85 34.386 34.386 33.247 1.139 17918 12128 1 19 . 1 1 82 82 MET H H 85 8.601 8.601 7.411 1.190 17918 12129 1 19 . 1 1 83 83 MET N N 86 119.413 119.413 119.763 -0.350 17918 12130 1 19 . 1 1 83 83 MET HA H 86 4.273 4.273 4.562 -0.289 17918 12131 1 19 . 1 1 83 83 MET C C 86 178.979 178.979 177.633 1.346 17918 12132 1 19 . 1 1 83 83 MET CA C 86 58.320 58.320 54.108 4.213 17918 12133 1 19 . 1 1 83 83 MET CB C 86 34.339 34.339 32.675 1.664 17918 12134 1 19 . 1 1 83 83 MET H H 86 8.413 8.413 8.256 0.157 17918 12135 1 19 . 1 1 84 84 LYS N N 87 126.834 126.834 125.317 1.517 17918 12136 1 19 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.197 0.543 17918 12137 1 19 . 1 1 84 84 LYS C C 87 175.267 175.267 176.583 -1.316 17918 12138 1 19 . 1 1 84 84 LYS CA C 87 62.461 62.461 60.342 2.119 17918 12139 1 19 . 1 1 84 84 LYS CB C 87 31.435 31.435 29.723 1.712 17918 12140 1 19 . 1 1 84 84 LYS H H 87 9.099 9.099 8.903 0.196 17918 12141 1 19 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.350 0.115 17918 12142 1 19 . 1 1 85 85 PRO C C 88 180.671 180.671 178.504 2.167 17918 12143 1 19 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.608 1.135 17918 12144 1 19 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.468 0.787 17918 12145 1 19 . 1 1 86 86 PHE N N 89 116.583 116.583 119.714 -3.131 17918 12146 1 19 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.211 -0.564 17918 12147 1 19 . 1 1 86 86 PHE C C 89 177.086 177.086 177.049 0.037 17918 12148 1 19 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.152 1.332 17918 12149 1 19 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.247 2.263 17918 12150 1 19 . 1 1 86 86 PHE H H 89 7.102 7.102 7.516 -0.414 17918 12151 1 19 . 1 1 87 87 GLU N N 90 120.506 120.506 119.717 0.789 17918 12152 1 19 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.685 0.039 17918 12153 1 19 . 1 1 87 87 GLU C C 90 179.102 179.102 178.556 0.546 17918 12154 1 19 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.454 2.403 17918 12155 1 19 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.112 1.672 17918 12156 1 19 . 1 1 87 87 GLU H H 90 8.126 8.126 8.835 -0.709 17918 12157 1 19 . 1 1 88 88 ASP N N 91 118.355 118.355 119.311 -0.956 17918 12158 1 19 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.344 -0.109 17918 12159 1 19 . 1 1 88 88 ASP C C 91 180.067 180.067 178.119 1.948 17918 12160 1 19 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.236 1.068 17918 12161 1 19 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.342 0.684 17918 12162 1 19 . 1 1 88 88 ASP H H 91 9.121 9.121 7.901 1.220 17918 12163 1 19 . 1 1 89 89 ALA N N 92 121.718 121.718 121.341 0.377 17918 12164 1 19 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.104 -0.032 17918 12165 1 19 . 1 1 89 89 ALA C C 92 181.131 181.131 179.736 1.395 17918 12166 1 19 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.876 0.969 17918 12167 1 19 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.288 1.812 17918 12168 1 19 . 1 1 89 89 ALA H H 92 7.154 7.154 7.412 -0.258 17918 12169 1 19 . 1 1 90 90 VAL N N 93 117.315 117.315 118.436 -1.121 17918 12170 1 19 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.437 -0.022 17918 12171 1 19 . 1 1 90 90 VAL C C 93 178.908 178.908 177.874 1.034 17918 12172 1 19 . 1 1 90 90 VAL CA C 93 67.754 67.754 67.084 0.670 17918 12173 1 19 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.034 1.315 17918 12174 1 19 . 1 1 90 90 VAL H H 93 7.797 7.797 7.411 0.386 17918 12175 1 19 . 1 1 91 91 ARG N N 94 116.826 116.826 119.811 -2.985 17918 12176 1 19 . 1 1 91 91 ARG HA H 94 3.854 3.854 3.990 -0.136 17918 12177 1 19 . 1 1 91 91 ARG C C 94 177.858 177.858 179.118 -1.260 17918 12178 1 19 . 1 1 91 91 ARG CA C 94 60.466 60.466 59.360 1.106 17918 12179 1 19 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.715 1.373 17918 12180 1 19 . 1 1 91 91 ARG H H 94 8.154 8.154 7.926 0.228 17918 12181 1 19 . 1 1 92 92 ALA N N 95 118.849 118.849 122.038 -3.189 17918 12182 1 19 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.153 0.140 17918 12183 1 19 . 1 1 92 92 ALA C C 95 178.452 178.452 178.376 0.076 17918 12184 1 19 . 1 1 92 92 ALA CA C 95 53.477 53.477 54.252 -0.775 17918 12185 1 19 . 1 1 92 92 ALA CB C 95 20.147 20.147 18.995 1.152 17918 12186 1 19 . 1 1 92 92 ALA H H 95 7.067 7.067 7.567 -0.500 17918 12187 1 19 . 1 1 93 93 LEU N N 96 120.871 120.871 114.800 6.071 17918 12188 1 19 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.481 0.033 17918 12189 1 19 . 1 1 93 93 LEU C C 96 179.045 179.045 175.766 3.279 17918 12190 1 19 . 1 1 93 93 LEU CA C 96 55.163 55.163 54.181 0.982 17918 12191 1 19 . 1 1 93 93 LEU CB C 96 44.932 44.932 42.843 2.088 17918 12192 1 19 . 1 1 93 93 LEU H H 96 7.396 7.396 7.626 -0.230 17918 12193 1 19 . 1 1 94 94 LYS N N 97 121.289 121.289 119.344 1.945 17918 12194 1 19 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.413 -0.005 17918 12195 1 19 . 1 1 94 94 LYS C C 97 178.629 178.629 176.385 2.244 17918 12196 1 19 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.304 1.990 17918 12197 1 19 . 1 1 94 94 LYS CB C 97 33.395 33.395 35.400 -2.005 17918 12198 1 19 . 1 1 94 94 LYS H H 97 8.274 8.274 8.520 -0.246 17918 12199 1 19 . 1 1 95 95 ILE N N 98 122.343 122.343 121.090 1.253 17918 12200 1 19 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.665 -0.600 17918 12201 1 19 . 1 1 95 95 ILE C C 98 178.406 178.406 176.680 1.726 17918 12202 1 19 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.908 2.386 17918 12203 1 19 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.783 1.379 17918 12204 1 19 . 1 1 95 95 ILE H H 98 8.396 8.396 8.475 -0.079 17918 12205 1 19 . 1 1 96 96 GLY N N 99 118.074 118.074 116.680 1.394 17918 12206 1 19 . 1 1 96 96 GLY C C 99 174.605 174.605 174.502 0.103 17918 12207 1 19 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.672 1.501 17918 12208 1 19 . 1 1 96 96 GLY H H 99 8.988 8.988 9.004 -0.016 17918 12209 1 19 . 1 1 97 97 ASP N N 100 121.984 121.984 122.695 -0.711 17918 12210 1 19 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.871 -0.076 17918 12211 1 19 . 1 1 97 97 ASP C C 100 175.344 175.344 175.432 -0.088 17918 12212 1 19 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.474 0.563 17918 12213 1 19 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.470 1.483 17918 12214 1 19 . 1 1 97 97 ASP H H 100 7.978 7.978 8.425 -0.447 17918 12215 1 19 . 1 1 98 98 ILE N N 101 117.483 117.483 121.070 -3.587 17918 12216 1 19 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.828 0.332 17918 12217 1 19 . 1 1 98 98 ILE C C 101 178.147 178.147 176.199 1.948 17918 12218 1 19 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.160 0.176 17918 12219 1 19 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.602 0.691 17918 12220 1 19 . 1 1 98 98 ILE H H 101 8.048 8.048 8.259 -0.211 17918 12221 1 19 . 1 1 99 99 SER N N 102 126.778 126.778 124.786 1.992 17918 12222 1 19 . 1 1 99 99 SER HA H 102 4.526 4.526 4.864 -0.338 17918 12223 1 19 . 1 1 99 99 SER C C 102 172.735 172.735 173.230 -0.495 17918 12224 1 19 . 1 1 99 99 SER CA C 102 59.441 59.441 56.680 2.761 17918 12225 1 19 . 1 1 99 99 SER CB C 102 64.572 64.572 63.356 1.216 17918 12226 1 19 . 1 1 99 99 SER H H 102 9.722 9.722 8.985 0.737 17918 12227 1 19 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.518 0.301 17918 12228 1 19 . 1 1 100 100 PRO C C 103 176.647 176.647 176.962 -0.315 17918 12229 1 19 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.361 0.766 17918 12230 1 19 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.584 0.855 17918 12231 1 19 . 1 1 101 101 ILE N N 104 120.048 120.048 118.999 1.049 17918 12232 1 19 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.438 -0.131 17918 12233 1 19 . 1 1 101 101 ILE C C 104 178.021 178.021 176.142 1.879 17918 12234 1 19 . 1 1 101 101 ILE CA C 104 65.141 65.141 60.778 4.363 17918 12235 1 19 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.459 1.511 17918 12236 1 19 . 1 1 101 101 ILE H H 104 8.199 8.199 8.268 -0.069 17918 12237 1 19 . 1 1 102 102 VAL N N 105 130.676 130.676 127.744 2.932 17918 12238 1 19 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.413 -0.057 17918 12239 1 19 . 1 1 102 102 VAL C C 105 175.118 175.118 174.896 0.222 17918 12240 1 19 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.146 0.661 17918 12241 1 19 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.839 3.544 17918 12242 1 19 . 1 1 102 102 VAL H H 105 9.285 9.285 9.039 0.246 17918 12243 1 19 . 1 1 103 103 GLN N N 106 128.464 128.464 127.140 1.324 17918 12244 1 19 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.716 0.733 17918 12245 1 19 . 1 1 103 103 GLN C C 106 176.704 176.704 175.876 0.828 17918 12246 1 19 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.953 -0.893 17918 12247 1 19 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.194 1.838 17918 12248 1 19 . 1 1 103 103 GLN H H 106 8.900 8.900 8.926 -0.026 17918 12249 1 19 . 1 1 104 104 THR N N 107 116.680 116.680 119.815 -3.135 17918 12250 1 19 . 1 1 104 104 THR HA H 107 4.978 4.978 4.636 0.342 17918 12251 1 19 . 1 1 104 104 THR C C 107 177.189 177.189 174.676 2.513 17918 12252 1 19 . 1 1 104 104 THR CA C 107 61.836 61.836 59.636 2.200 17918 12253 1 19 . 1 1 104 104 THR CB C 107 73.663 73.663 70.334 3.329 17918 12254 1 19 . 1 1 104 104 THR H H 107 9.275 9.275 8.963 0.312 17918 12255 1 19 . 1 1 105 105 ASP N N 108 119.651 119.651 119.660 -0.009 17918 12256 1 19 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.346 0.232 17918 12257 1 19 . 1 1 105 105 ASP C C 108 179.034 179.034 176.756 2.278 17918 12258 1 19 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.071 0.884 17918 12259 1 19 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.524 1.492 17918 12260 1 19 . 1 1 105 105 ASP H H 108 8.945 8.945 8.743 0.202 17918 12261 1 19 . 1 1 106 106 SER N N 109 114.257 114.257 114.802 -0.545 17918 12262 1 19 . 1 1 106 106 SER HA H 109 4.642 4.642 4.341 0.301 17918 12263 1 19 . 1 1 106 106 SER C C 109 177.224 177.224 174.125 3.099 17918 12264 1 19 . 1 1 106 106 SER CA C 109 62.788 62.788 59.846 2.942 17918 12265 1 19 . 1 1 106 106 SER CB C 109 64.767 64.767 63.762 1.005 17918 12266 1 19 . 1 1 106 106 SER H H 109 8.968 8.968 8.277 0.691 17918 12267 1 19 . 1 1 107 107 GLY N N 110 111.288 111.288 107.005 4.283 17918 12268 1 19 . 1 1 107 107 GLY C C 110 169.468 169.468 172.284 -2.816 17918 12269 1 19 . 1 1 107 107 GLY CA C 110 46.698 46.698 44.876 1.822 17918 12270 1 19 . 1 1 107 107 GLY H H 110 7.829 7.829 7.665 0.164 17918 12271 1 19 . 1 1 108 108 LEU N N 111 122.506 122.506 121.675 0.831 17918 12272 1 19 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.038 0.333 17918 12273 1 19 . 1 1 108 108 LEU C C 111 175.948 175.948 175.629 0.319 17918 12274 1 19 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.054 0.222 17918 12275 1 19 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.569 1.206 17918 12276 1 19 . 1 1 108 108 LEU H H 111 8.143 8.143 8.485 -0.342 17918 12277 1 19 . 1 1 109 109 HIS N N 112 119.518 119.518 122.834 -3.316 17918 12278 1 19 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.891 0.204 17918 12279 1 19 . 1 1 109 109 HIS C C 112 179.186 179.186 175.011 4.175 17918 12280 1 19 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.433 0.947 17918 12281 1 19 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.208 0.630 17918 12282 1 19 . 1 1 109 109 HIS H H 112 9.764 9.764 9.027 0.737 17918 12283 1 19 . 1 1 110 110 ILE N N 113 113.128 113.128 119.749 -6.621 17918 12284 1 19 . 1 1 110 110 ILE HA H 113 4.459 4.459 5.163 -0.704 17918 12285 1 19 . 1 1 110 110 ILE C C 113 176.666 176.666 174.357 2.309 17918 12286 1 19 . 1 1 110 110 ILE CA C 113 64.437 64.437 60.021 4.416 17918 12287 1 19 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.371 2.365 17918 12288 1 19 . 1 1 110 110 ILE H H 113 8.117 8.117 8.347 -0.230 17918 12289 1 19 . 1 1 111 111 ILE N N 114 125.121 125.121 123.745 1.376 17918 12290 1 19 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.312 -0.542 17918 12291 1 19 . 1 1 111 111 ILE C C 114 173.792 173.792 174.331 -0.539 17918 12292 1 19 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.874 2.110 17918 12293 1 19 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.386 1.297 17918 12294 1 19 . 1 1 111 111 ILE H H 114 8.604 8.604 9.000 -0.396 17918 12295 1 19 . 1 1 112 112 LYS N N 115 127.966 127.966 122.269 5.697 17918 12296 1 19 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.698 -0.525 17918 12297 1 19 . 1 1 112 112 LYS C C 115 177.267 177.267 175.163 2.104 17918 12298 1 19 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.108 0.267 17918 12299 1 19 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.835 -0.322 17918 12300 1 19 . 1 1 112 112 LYS H H 115 9.075 9.075 9.353 -0.278 17918 12301 1 19 . 1 1 113 113 ARG N N 116 126.762 126.762 123.914 2.848 17918 12302 1 19 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.259 0.076 17918 12303 1 19 . 1 1 113 113 ARG C C 116 176.109 176.109 175.995 0.114 17918 12304 1 19 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.252 1.571 17918 12305 1 19 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.295 0.562 17918 12306 1 19 . 1 1 113 113 ARG H H 116 7.830 7.830 8.577 -0.747 17918 12307 1 19 . 1 1 114 114 LEU N N 117 128.545 128.545 127.703 0.842 17918 12308 1 19 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.672 -0.049 17918 12309 1 19 . 1 1 114 114 LEU C C 117 176.857 176.857 175.754 1.103 17918 12310 1 19 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.989 1.003 17918 12311 1 19 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.619 1.520 17918 12312 1 19 . 1 1 114 114 LEU H H 117 8.534 8.534 8.993 -0.459 17918 12313 1 20 . 1 1 2 2 SER N N 5 117.478 117.478 116.793 0.685 17918 12314 1 20 . 1 1 2 2 SER HA H 5 4.393 4.393 4.358 0.035 17918 12315 1 20 . 1 1 2 2 SER C C 5 175.466 175.466 174.722 0.744 17918 12316 1 20 . 1 1 2 2 SER CA C 5 59.622 59.622 59.715 -0.093 17918 12317 1 20 . 1 1 2 2 SER CB C 5 64.896 64.896 63.318 1.578 17918 12318 1 20 . 1 1 2 2 SER H H 5 8.317 8.317 8.191 0.126 17918 12319 1 20 . 1 1 3 3 GLU N N 6 123.783 123.783 118.592 5.191 17918 12320 1 20 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.543 -0.265 17918 12321 1 20 . 1 1 3 3 GLU C C 6 177.189 177.189 174.839 2.350 17918 12322 1 20 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.079 2.712 17918 12323 1 20 . 1 1 3 3 GLU CB C 6 31.568 31.568 31.038 0.530 17918 12324 1 20 . 1 1 3 3 GLU H H 6 8.359 8.359 7.714 0.645 17918 12325 1 20 . 1 1 4 4 LYS N N 7 122.875 122.875 117.610 5.265 17918 12326 1 20 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.223 0.291 17918 12327 1 20 . 1 1 4 4 LYS C C 7 176.557 176.557 175.394 1.163 17918 12328 1 20 . 1 1 4 4 LYS CA C 7 56.826 56.826 57.035 -0.209 17918 12329 1 20 . 1 1 4 4 LYS CB C 7 35.393 35.393 31.792 3.601 17918 12330 1 20 . 1 1 4 4 LYS H H 7 8.193 8.193 8.452 -0.259 17918 12331 1 20 . 1 1 5 5 LEU N N 8 123.258 123.258 122.266 0.992 17918 12332 1 20 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.891 -0.497 17918 12333 1 20 . 1 1 5 5 LEU C C 8 175.699 175.699 173.956 1.743 17918 12334 1 20 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.501 1.041 17918 12335 1 20 . 1 1 5 5 LEU CB C 8 46.512 46.512 47.092 -0.580 17918 12336 1 20 . 1 1 5 5 LEU H H 8 8.265 8.265 8.964 -0.699 17918 12337 1 20 . 1 1 6 6 ARG N N 9 117.197 117.197 117.467 -0.270 17918 12338 1 20 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.419 1.185 17918 12339 1 20 . 1 1 6 6 ARG C C 9 175.633 175.633 173.259 2.374 17918 12340 1 20 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.236 1.939 17918 12341 1 20 . 1 1 6 6 ARG CB C 9 35.420 35.420 32.294 3.126 17918 12342 1 20 . 1 1 6 6 ARG H H 9 7.759 7.759 8.331 -0.572 17918 12343 1 20 . 1 1 7 7 ALA N N 10 126.954 126.954 126.740 0.214 17918 12344 1 20 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.083 0.057 17918 12345 1 20 . 1 1 7 7 ALA C C 10 174.004 174.004 174.812 -0.808 17918 12346 1 20 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.556 0.311 17918 12347 1 20 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.223 1.784 17918 12348 1 20 . 1 1 7 7 ALA H H 10 7.637 7.637 8.612 -0.975 17918 12349 1 20 . 1 1 8 8 ALA N N 11 122.081 122.081 123.271 -1.190 17918 12350 1 20 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.537 1.253 17918 12351 1 20 . 1 1 8 8 ALA C C 11 177.446 177.446 175.245 2.201 17918 12352 1 20 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.314 -0.038 17918 12353 1 20 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.841 2.780 17918 12354 1 20 . 1 1 8 8 ALA H H 11 8.991 8.991 8.441 0.550 17918 12355 1 20 . 1 1 9 9 HIS N N 12 118.002 118.002 118.753 -0.751 17918 12356 1 20 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.554 0.575 17918 12357 1 20 . 1 1 9 9 HIS C C 12 172.689 172.689 172.863 -0.174 17918 12358 1 20 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.588 1.508 17918 12359 1 20 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.276 5.456 17918 12360 1 20 . 1 1 9 9 HIS H H 12 9.489 9.489 7.907 1.582 17918 12361 1 20 . 1 1 10 10 LEU N N 13 126.276 126.276 119.976 6.300 17918 12362 1 20 . 1 1 10 10 LEU HA H 13 3.906 3.906 5.031 -1.125 17918 12363 1 20 . 1 1 10 10 LEU C C 13 174.163 174.163 174.584 -0.421 17918 12364 1 20 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.700 3.003 17918 12365 1 20 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.338 -0.771 17918 12366 1 20 . 1 1 10 10 LEU H H 13 8.866 8.866 9.154 -0.288 17918 12367 1 20 . 1 1 11 11 LEU N N 14 127.134 127.134 126.524 0.610 17918 12368 1 20 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.294 -0.556 17918 12369 1 20 . 1 1 11 11 LEU C C 14 175.626 175.626 174.573 1.053 17918 12370 1 20 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.435 0.168 17918 12371 1 20 . 1 1 11 11 LEU CB C 14 45.695 45.695 44.668 1.027 17918 12372 1 20 . 1 1 11 11 LEU H H 14 7.762 7.762 8.553 -0.791 17918 12373 1 20 . 1 1 12 12 VAL N N 15 129.450 129.450 127.948 1.502 17918 12374 1 20 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.419 -0.009 17918 12375 1 20 . 1 1 12 12 VAL C C 15 177.055 177.055 174.733 2.322 17918 12376 1 20 . 1 1 12 12 VAL CA C 15 62.841 62.841 61.305 1.536 17918 12377 1 20 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.854 -0.465 17918 12378 1 20 . 1 1 12 12 VAL H H 15 9.667 9.667 8.522 1.145 17918 12379 1 20 . 1 1 13 13 LYS N N 16 127.188 127.188 125.983 1.205 17918 12380 1 20 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.594 -0.112 17918 12381 1 20 . 1 1 13 13 LYS C C 16 176.034 176.034 175.697 0.337 17918 12382 1 20 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.160 3.006 17918 12383 1 20 . 1 1 13 13 LYS CB C 16 37.794 37.794 34.612 3.182 17918 12384 1 20 . 1 1 13 13 LYS H H 16 9.138 9.138 8.554 0.584 17918 12385 1 20 . 1 1 14 14 PHE N N 17 117.138 117.138 120.777 -3.639 17918 12386 1 20 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.979 0.275 17918 12387 1 20 . 1 1 14 14 PHE C C 17 176.588 176.588 176.965 -0.377 17918 12388 1 20 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.307 2.281 17918 12389 1 20 . 1 1 14 14 PHE CB C 17 40.359 40.359 39.947 0.412 17918 12390 1 20 . 1 1 14 14 PHE H H 17 8.617 8.617 8.368 0.249 17918 12391 1 20 . 1 1 15 15 SER N N 18 120.047 120.047 116.729 3.318 17918 12392 1 20 . 1 1 15 15 SER HA H 18 4.019 4.019 4.216 -0.197 17918 12393 1 20 . 1 1 15 15 SER C C 18 180.099 180.099 175.769 4.330 17918 12394 1 20 . 1 1 15 15 SER CA C 18 62.865 62.865 60.993 1.872 17918 12395 1 20 . 1 1 15 15 SER CB C 18 64.300 64.300 63.095 1.205 17918 12396 1 20 . 1 1 15 15 SER H H 18 9.437 9.437 9.248 0.189 17918 12397 1 20 . 1 1 16 16 GLY C C 19 175.458 175.458 174.388 1.070 17918 12398 1 20 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.729 1.053 17918 12399 1 20 . 1 1 17 17 SER N N 20 120.550 120.550 115.220 5.330 17918 12400 1 20 . 1 1 17 17 SER HA H 20 3.839 3.839 4.144 -0.305 17918 12401 1 20 . 1 1 17 17 SER C C 20 174.702 174.702 175.217 -0.515 17918 12402 1 20 . 1 1 17 17 SER CA C 20 62.099 62.099 58.068 4.031 17918 12403 1 20 . 1 1 17 17 SER CB C 20 65.081 65.081 63.909 1.172 17918 12404 1 20 . 1 1 17 17 SER H H 20 7.236 7.236 7.130 0.106 17918 12405 1 20 . 1 1 18 18 ARG N N 21 123.998 123.998 120.593 3.405 17918 12406 1 20 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.119 -0.056 17918 12407 1 20 . 1 1 18 18 ARG C C 21 177.005 177.005 176.140 0.865 17918 12408 1 20 . 1 1 18 18 ARG CA C 21 59.595 59.595 57.640 1.955 17918 12409 1 20 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.372 -0.266 17918 12410 1 20 . 1 1 18 18 ARG H H 21 8.544 8.544 8.221 0.323 17918 12411 1 20 . 1 1 19 19 ASN N N 22 116.403 116.403 116.607 -0.204 17918 12412 1 20 . 1 1 19 19 ASN HA H 22 5.264 5.264 4.974 0.290 17918 12413 1 20 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.987 -0.168 17918 12414 1 20 . 1 1 19 19 ASN CB C 22 40.496 40.496 40.514 -0.018 17918 12415 1 20 . 1 1 19 19 ASN H H 22 8.412 8.412 7.520 0.892 17918 12416 1 20 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.612 -0.274 17918 12417 1 20 . 1 1 20 20 PRO C C 23 176.381 176.381 175.360 1.021 17918 12418 1 20 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.278 2.286 17918 12419 1 20 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.265 -0.955 17918 12420 1 20 . 1 1 21 21 VAL N N 24 126.905 126.905 115.397 11.508 17918 12421 1 20 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.474 -0.126 17918 12422 1 20 . 1 1 21 21 VAL C C 24 176.393 176.393 173.800 2.593 17918 12423 1 20 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.642 3.197 17918 12424 1 20 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.841 0.145 17918 12425 1 20 . 1 1 21 21 VAL H H 24 8.810 8.810 7.337 1.473 17918 12426 1 20 . 1 1 22 22 SER N N 25 121.164 121.164 118.419 2.745 17918 12427 1 20 . 1 1 22 22 SER HA H 25 4.296 4.296 5.048 -0.752 17918 12428 1 20 . 1 1 22 22 SER C C 25 178.264 178.264 175.210 3.054 17918 12429 1 20 . 1 1 22 22 SER CA C 25 59.682 59.682 56.145 3.537 17918 12430 1 20 . 1 1 22 22 SER CB C 25 64.553 64.553 66.816 -2.263 17918 12431 1 20 . 1 1 22 22 SER H H 25 8.657 8.657 7.891 0.766 17918 12432 1 20 . 1 1 23 23 ARG N N 26 129.578 129.578 121.879 7.699 17918 12433 1 20 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.959 0.385 17918 12434 1 20 . 1 1 23 23 ARG C C 26 176.541 176.541 177.454 -0.913 17918 12435 1 20 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.837 0.423 17918 12436 1 20 . 1 1 23 23 ARG CB C 26 29.882 29.882 28.738 1.144 17918 12437 1 20 . 1 1 23 23 ARG H H 26 8.837 8.837 8.839 -0.002 17918 12438 1 20 . 1 1 24 24 ARG N N 27 119.514 119.514 115.527 3.987 17918 12439 1 20 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.303 -0.513 17918 12440 1 20 . 1 1 24 24 ARG C C 27 177.905 177.905 177.433 0.472 17918 12441 1 20 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.408 0.408 17918 12442 1 20 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.488 2.576 17918 12443 1 20 . 1 1 24 24 ARG H H 27 7.439 7.439 8.323 -0.884 17918 12444 1 20 . 1 1 25 25 THR N N 28 127.221 127.221 106.826 20.395 17918 12445 1 20 . 1 1 25 25 THR HA H 28 4.258 4.258 4.464 -0.206 17918 12446 1 20 . 1 1 25 25 THR C C 28 177.078 177.078 176.053 1.025 17918 12447 1 20 . 1 1 25 25 THR CA C 28 62.291 62.291 62.069 0.222 17918 12448 1 20 . 1 1 25 25 THR CB C 28 71.224 71.224 71.907 -0.683 17918 12449 1 20 . 1 1 25 25 THR H H 28 7.088 7.088 7.659 -0.571 17918 12450 1 20 . 1 1 26 26 GLY N N 29 110.483 110.483 111.782 -1.299 17918 12451 1 20 . 1 1 26 26 GLY C C 29 174.471 174.471 173.497 0.974 17918 12452 1 20 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.683 0.786 17918 12453 1 20 . 1 1 26 26 GLY H H 29 7.678 7.678 8.746 -1.068 17918 12454 1 20 . 1 1 27 27 ASP N N 30 120.302 120.302 119.285 1.017 17918 12455 1 20 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.864 -0.101 17918 12456 1 20 . 1 1 27 27 ASP C C 30 177.147 177.147 174.730 2.417 17918 12457 1 20 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.094 0.669 17918 12458 1 20 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.266 0.684 17918 12459 1 20 . 1 1 27 27 ASP H H 30 8.128 8.128 8.177 -0.049 17918 12460 1 20 . 1 1 28 28 SER N N 31 113.726 113.726 113.955 -0.229 17918 12461 1 20 . 1 1 28 28 SER HA H 31 4.629 4.629 4.988 -0.359 17918 12462 1 20 . 1 1 28 28 SER C C 31 178.127 178.127 173.155 4.972 17918 12463 1 20 . 1 1 28 28 SER CA C 31 58.869 58.869 57.878 0.991 17918 12464 1 20 . 1 1 28 28 SER CB C 31 64.796 64.796 66.888 -2.092 17918 12465 1 20 . 1 1 28 28 SER H H 31 8.633 8.633 7.741 0.892 17918 12466 1 20 . 1 1 29 29 THR N N 32 120.655 120.655 118.234 2.421 17918 12467 1 20 . 1 1 29 29 THR HA H 32 4.589 4.589 4.834 -0.245 17918 12468 1 20 . 1 1 29 29 THR C C 32 176.368 176.368 173.660 2.708 17918 12469 1 20 . 1 1 29 29 THR CA C 32 62.892 62.892 61.018 1.874 17918 12470 1 20 . 1 1 29 29 THR CB C 32 69.624 69.624 68.921 0.703 17918 12471 1 20 . 1 1 29 29 THR H H 32 8.397 8.397 8.984 -0.587 17918 12472 1 20 . 1 1 30 30 ALA N N 33 124.923 124.923 124.096 0.827 17918 12473 1 20 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.323 -0.528 17918 12474 1 20 . 1 1 30 30 ALA C C 33 177.708 177.708 176.654 1.054 17918 12475 1 20 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.671 3.157 17918 12476 1 20 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.304 2.545 17918 12477 1 20 . 1 1 30 30 ALA H H 33 8.251 8.251 8.693 -0.442 17918 12478 1 20 . 1 1 31 31 ASP N N 34 114.016 114.016 118.077 -4.061 17918 12479 1 20 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.684 0.047 17918 12480 1 20 . 1 1 31 31 ASP C C 34 176.973 176.973 176.907 0.066 17918 12481 1 20 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.135 0.446 17918 12482 1 20 . 1 1 31 31 ASP CB C 34 41.900 41.900 41.875 0.025 17918 12483 1 20 . 1 1 31 31 ASP H H 34 8.398 8.398 8.194 0.204 17918 12484 1 20 . 1 1 32 32 VAL N N 35 123.637 123.637 121.381 2.256 17918 12485 1 20 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.457 -0.197 17918 12486 1 20 . 1 1 32 32 VAL C C 35 177.725 177.725 174.745 2.980 17918 12487 1 20 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.735 2.757 17918 12488 1 20 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.429 0.328 17918 12489 1 20 . 1 1 32 32 VAL H H 35 7.323 7.323 7.571 -0.248 17918 12490 1 20 . 1 1 33 33 THR N N 36 121.552 121.552 119.750 1.802 17918 12491 1 20 . 1 1 33 33 THR HA H 36 4.642 4.642 4.701 -0.059 17918 12492 1 20 . 1 1 33 33 THR C C 36 176.268 176.268 175.392 0.876 17918 12493 1 20 . 1 1 33 33 THR CA C 36 62.597 62.597 59.913 2.684 17918 12494 1 20 . 1 1 33 33 THR CB C 36 72.388 72.388 70.962 1.426 17918 12495 1 20 . 1 1 33 33 THR H H 36 9.078 9.078 8.017 1.061 17918 12496 1 20 . 1 1 34 34 TYR N N 37 122.486 122.486 119.553 2.933 17918 12497 1 20 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.487 -0.053 17918 12498 1 20 . 1 1 34 34 TYR C C 37 177.216 177.216 177.139 0.077 17918 12499 1 20 . 1 1 34 34 TYR CA C 37 63.041 63.041 61.021 2.020 17918 12500 1 20 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.572 2.922 17918 12501 1 20 . 1 1 34 34 TYR H H 37 9.247 9.247 8.561 0.686 17918 12502 1 20 . 1 1 35 35 GLU N N 38 116.626 116.626 119.823 -3.197 17918 12503 1 20 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.542 0.137 17918 12504 1 20 . 1 1 35 35 GLU C C 38 180.453 180.453 178.960 1.493 17918 12505 1 20 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.605 1.841 17918 12506 1 20 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.780 1.379 17918 12507 1 20 . 1 1 35 35 GLU H H 38 8.782 8.782 7.871 0.911 17918 12508 1 20 . 1 1 36 36 ASP N N 39 120.670 120.670 119.984 0.686 17918 12509 1 20 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.299 0.073 17918 12510 1 20 . 1 1 36 36 ASP C C 39 180.015 180.015 178.467 1.548 17918 12511 1 20 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.311 0.908 17918 12512 1 20 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.643 0.591 17918 12513 1 20 . 1 1 36 36 ASP H H 39 7.916 7.916 7.888 0.028 17918 12514 1 20 . 1 1 37 37 ALA N N 40 126.126 126.126 123.216 2.910 17918 12515 1 20 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.106 -0.266 17918 12516 1 20 . 1 1 37 37 ALA C C 40 179.923 179.923 179.357 0.566 17918 12517 1 20 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.148 1.197 17918 12518 1 20 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.740 1.113 17918 12519 1 20 . 1 1 37 37 ALA H H 40 8.318 8.318 8.176 0.142 17918 12520 1 20 . 1 1 38 38 ILE N N 41 118.850 118.850 119.190 -0.340 17918 12521 1 20 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.568 -0.100 17918 12522 1 20 . 1 1 38 38 ILE C C 41 179.106 179.106 177.929 1.177 17918 12523 1 20 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.205 -0.826 17918 12524 1 20 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.779 -0.488 17918 12525 1 20 . 1 1 38 38 ILE H H 41 8.151 8.151 8.335 -0.184 17918 12526 1 20 . 1 1 39 39 LYS N N 42 120.585 120.585 119.354 1.231 17918 12527 1 20 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.859 0.125 17918 12528 1 20 . 1 1 39 39 LYS C C 42 180.883 180.883 178.488 2.395 17918 12529 1 20 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.922 0.963 17918 12530 1 20 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.076 1.465 17918 12531 1 20 . 1 1 39 39 LYS H H 42 7.519 7.519 8.334 -0.815 17918 12532 1 20 . 1 1 40 40 GLU N N 43 121.167 121.167 119.802 1.365 17918 12533 1 20 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.038 0.278 17918 12534 1 20 . 1 1 40 40 GLU C C 43 179.969 179.969 178.911 1.058 17918 12535 1 20 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.288 0.719 17918 12536 1 20 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.590 1.151 17918 12537 1 20 . 1 1 40 40 GLU H H 43 7.911 7.911 7.645 0.266 17918 12538 1 20 . 1 1 41 41 LEU N N 44 121.081 121.081 120.900 0.181 17918 12539 1 20 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.197 -0.006 17918 12540 1 20 . 1 1 41 41 LEU C C 44 180.778 180.778 179.593 1.185 17918 12541 1 20 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.454 0.479 17918 12542 1 20 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.561 1.324 17918 12543 1 20 . 1 1 41 41 LEU H H 44 8.424 8.424 7.983 0.441 17918 12544 1 20 . 1 1 42 42 GLN N N 45 121.129 121.129 118.545 2.584 17918 12545 1 20 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.168 -0.139 17918 12546 1 20 . 1 1 42 42 GLN C C 45 179.911 179.911 178.799 1.112 17918 12547 1 20 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.462 1.897 17918 12548 1 20 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.394 0.628 17918 12549 1 20 . 1 1 42 42 GLN H H 45 8.971 8.971 8.434 0.537 17918 12550 1 20 . 1 1 43 43 LYS N N 46 121.830 121.830 121.187 0.643 17918 12551 1 20 . 1 1 43 43 LYS HA H 46 4.007 4.007 4.006 0.001 17918 12552 1 20 . 1 1 43 43 LYS C C 46 180.898 180.898 178.718 2.180 17918 12553 1 20 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.507 1.137 17918 12554 1 20 . 1 1 43 43 LYS CB C 46 32.464 32.464 31.961 0.503 17918 12555 1 20 . 1 1 43 43 LYS H H 46 7.769 7.769 7.296 0.473 17918 12556 1 20 . 1 1 44 44 TRP N N 47 119.737 119.737 121.113 -1.376 17918 12557 1 20 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.221 -0.265 17918 12558 1 20 . 1 1 44 44 TRP C C 47 179.173 179.173 178.519 0.654 17918 12559 1 20 . 1 1 44 44 TRP CA C 47 63.046 63.046 60.236 2.810 17918 12560 1 20 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.503 0.112 17918 12561 1 20 . 1 1 44 44 TRP H H 47 8.002 8.002 8.433 -0.431 17918 12562 1 20 . 1 1 45 45 SER N N 48 114.940 114.940 113.559 1.381 17918 12563 1 20 . 1 1 45 45 SER HA H 48 4.072 4.072 3.995 0.077 17918 12564 1 20 . 1 1 45 45 SER C C 48 178.249 178.249 176.661 1.588 17918 12565 1 20 . 1 1 45 45 SER CA C 48 63.707 63.707 61.856 1.851 17918 12566 1 20 . 1 1 45 45 SER H H 48 8.901 8.901 8.885 0.016 17918 12567 1 20 . 1 1 46 46 GLN N N 49 121.411 121.411 122.437 -1.026 17918 12568 1 20 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.016 0.181 17918 12569 1 20 . 1 1 46 46 GLN C C 49 179.809 179.809 178.032 1.777 17918 12570 1 20 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.928 0.931 17918 12571 1 20 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.703 0.490 17918 12572 1 20 . 1 1 46 46 GLN H H 49 7.950 7.950 7.524 0.426 17918 12573 1 20 . 1 1 47 47 ARG N N 50 121.809 121.809 119.416 2.393 17918 12574 1 20 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.289 -0.238 17918 12575 1 20 . 1 1 47 47 ARG C C 50 179.464 179.464 179.274 0.190 17918 12576 1 20 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.498 1.549 17918 12577 1 20 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.354 1.639 17918 12578 1 20 . 1 1 47 47 ARG H H 50 7.834 7.834 8.184 -0.350 17918 12579 1 20 . 1 1 48 48 ILE N N 51 120.569 120.569 118.720 1.849 17918 12580 1 20 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.266 0.222 17918 12581 1 20 . 1 1 48 48 ILE C C 51 181.848 181.848 178.078 3.770 17918 12582 1 20 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.509 0.054 17918 12583 1 20 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.957 2.736 17918 12584 1 20 . 1 1 48 48 ILE H H 51 8.127 8.127 8.675 -0.548 17918 12585 1 20 . 1 1 49 49 ALA N N 52 124.538 124.538 121.254 3.284 17918 12586 1 20 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.114 0.095 17918 12587 1 20 . 1 1 49 49 ALA C C 52 181.120 181.120 178.919 2.201 17918 12588 1 20 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.269 2.150 17918 12589 1 20 . 1 1 49 49 ALA CB C 52 19.416 19.416 18.969 0.447 17918 12590 1 20 . 1 1 49 49 ALA H H 52 8.526 8.526 7.492 1.034 17918 12591 1 20 . 1 1 50 50 SER N N 53 111.097 111.097 114.023 -2.926 17918 12592 1 20 . 1 1 50 50 SER HA H 53 4.428 4.428 4.296 0.132 17918 12593 1 20 . 1 1 50 50 SER C C 53 176.608 176.608 176.229 0.379 17918 12594 1 20 . 1 1 50 50 SER CA C 53 60.248 60.248 59.539 0.709 17918 12595 1 20 . 1 1 50 50 SER CB C 53 65.098 65.098 64.317 0.781 17918 12596 1 20 . 1 1 50 50 SER H H 53 8.124 8.124 8.399 -0.275 17918 12597 1 20 . 1 1 51 51 GLY N N 54 110.581 110.581 109.012 1.569 17918 12598 1 20 . 1 1 51 51 GLY C C 54 175.699 175.699 174.855 0.844 17918 12599 1 20 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.783 1.647 17918 12600 1 20 . 1 1 51 51 GLY H H 54 7.904 7.904 8.330 -0.426 17918 12601 1 20 . 1 1 52 52 GLU N N 55 122.231 122.231 120.219 2.012 17918 12602 1 20 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.139 -0.136 17918 12603 1 20 . 1 1 52 52 GLU C C 55 177.647 177.647 176.847 0.800 17918 12604 1 20 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.503 1.585 17918 12605 1 20 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.234 1.389 17918 12606 1 20 . 1 1 52 52 GLU H H 55 8.204 8.204 7.937 0.267 17918 12607 1 20 . 1 1 53 53 VAL N N 56 111.615 111.615 112.152 -0.537 17918 12608 1 20 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.604 -0.025 17918 12609 1 20 . 1 1 53 53 VAL C C 56 175.225 175.225 174.421 0.804 17918 12610 1 20 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.723 -0.039 17918 12611 1 20 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.745 0.788 17918 12612 1 20 . 1 1 53 53 VAL H H 56 7.274 7.274 7.475 -0.201 17918 12613 1 20 . 1 1 54 54 SER N N 57 119.532 119.532 113.552 5.980 17918 12614 1 20 . 1 1 54 54 SER HA H 57 4.692 4.692 4.811 -0.119 17918 12615 1 20 . 1 1 54 54 SER C C 57 176.092 176.092 175.364 0.728 17918 12616 1 20 . 1 1 54 54 SER CA C 57 58.189 58.189 56.244 1.945 17918 12617 1 20 . 1 1 54 54 SER CB C 57 66.447 66.447 65.489 0.958 17918 12618 1 20 . 1 1 54 54 SER H H 57 8.637 8.637 8.205 0.432 17918 12619 1 20 . 1 1 55 55 PHE N N 58 123.609 123.609 122.838 0.771 17918 12620 1 20 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.180 -0.526 17918 12621 1 20 . 1 1 55 55 PHE C C 58 177.469 177.469 176.736 0.733 17918 12622 1 20 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.178 2.679 17918 12623 1 20 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.703 2.263 17918 12624 1 20 . 1 1 55 55 PHE H H 58 9.326 9.326 9.104 0.222 17918 12625 1 20 . 1 1 56 56 GLU N N 59 116.994 116.994 118.495 -1.501 17918 12626 1 20 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.326 -0.121 17918 12627 1 20 . 1 1 56 56 GLU C C 59 180.852 180.852 179.235 1.617 17918 12628 1 20 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.978 1.389 17918 12629 1 20 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.795 1.035 17918 12630 1 20 . 1 1 56 56 GLU H H 59 9.464 9.464 8.951 0.513 17918 12631 1 20 . 1 1 57 57 GLU N N 60 122.452 122.452 119.125 3.327 17918 12632 1 20 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.107 -0.084 17918 12633 1 20 . 1 1 57 57 GLU C C 60 179.899 179.899 178.591 1.308 17918 12634 1 20 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.808 1.205 17918 12635 1 20 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.284 1.901 17918 12636 1 20 . 1 1 57 57 GLU H H 60 7.978 7.978 7.569 0.409 17918 12637 1 20 . 1 1 58 58 ALA N N 61 123.053 123.053 121.482 1.571 17918 12638 1 20 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.088 0.493 17918 12639 1 20 . 1 1 58 58 ALA C C 61 179.854 179.854 179.385 0.469 17918 12640 1 20 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.401 1.480 17918 12641 1 20 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.477 2.583 17918 12642 1 20 . 1 1 58 58 ALA H H 61 8.157 8.157 7.349 0.808 17918 12643 1 20 . 1 1 59 59 ALA N N 62 120.029 120.029 120.262 -0.233 17918 12644 1 20 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.940 -0.388 17918 12645 1 20 . 1 1 59 59 ALA C C 62 181.080 181.080 179.785 1.295 17918 12646 1 20 . 1 1 59 59 ALA CA C 62 56.418 56.418 55.067 1.351 17918 12647 1 20 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.507 -0.465 17918 12648 1 20 . 1 1 59 59 ALA H H 62 8.540 8.540 8.343 0.197 17918 12649 1 20 . 1 1 60 60 SER N N 63 113.010 113.010 111.137 1.873 17918 12650 1 20 . 1 1 60 60 SER HA H 63 4.766 4.766 4.353 0.413 17918 12651 1 20 . 1 1 60 60 SER C C 63 176.299 176.299 175.694 0.605 17918 12652 1 20 . 1 1 60 60 SER CA C 63 62.414 62.414 61.316 1.098 17918 12653 1 20 . 1 1 60 60 SER CB C 63 64.687 64.687 63.476 1.211 17918 12654 1 20 . 1 1 60 60 SER H H 63 8.013 8.013 7.917 0.096 17918 12655 1 20 . 1 1 61 61 GLN N N 64 115.830 115.830 115.741 0.089 17918 12656 1 20 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.451 -0.321 17918 12657 1 20 . 1 1 61 61 GLN C C 64 178.579 178.579 177.052 1.527 17918 12658 1 20 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.031 1.335 17918 12659 1 20 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.576 1.800 17918 12660 1 20 . 1 1 61 61 GLN H H 64 7.496 7.496 7.577 -0.081 17918 12661 1 20 . 1 1 62 62 ARG N N 65 115.716 115.716 118.059 -2.343 17918 12662 1 20 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.519 -0.058 17918 12663 1 20 . 1 1 62 62 ARG C C 65 176.601 176.601 176.686 -0.085 17918 12664 1 20 . 1 1 62 62 ARG CA C 65 52.631 52.631 54.899 -2.268 17918 12665 1 20 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.099 1.557 17918 12666 1 20 . 1 1 62 62 ARG H H 65 7.693 7.693 8.524 -0.831 17918 12667 1 20 . 1 1 63 63 SER N N 66 114.680 114.680 115.810 -1.130 17918 12668 1 20 . 1 1 63 63 SER HA H 66 4.222 4.222 4.654 -0.432 17918 12669 1 20 . 1 1 63 63 SER C C 66 177.034 177.034 175.019 2.015 17918 12670 1 20 . 1 1 63 63 SER CA C 66 59.677 59.677 58.381 1.296 17918 12671 1 20 . 1 1 63 63 SER CB C 66 65.786 65.786 63.457 2.329 17918 12672 1 20 . 1 1 63 63 SER H H 66 8.528 8.528 7.667 0.861 17918 12673 1 20 . 1 1 64 64 ASP N N 67 123.612 123.612 126.031 -2.419 17918 12674 1 20 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.346 0.553 17918 12675 1 20 . 1 1 64 64 ASP C C 67 176.674 176.674 176.624 0.050 17918 12676 1 20 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.856 -0.865 17918 12677 1 20 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.400 2.257 17918 12678 1 20 . 1 1 64 64 ASP H H 67 9.645 9.645 8.952 0.693 17918 12679 1 20 . 1 1 65 65 CYS N N 68 124.716 124.716 118.173 6.543 17918 12680 1 20 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.466 -0.021 17918 12681 1 20 . 1 1 65 65 CYS C C 68 177.747 177.747 177.045 0.702 17918 12682 1 20 . 1 1 65 65 CYS CA C 68 60.118 60.118 60.025 0.093 17918 12683 1 20 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.038 1.421 17918 12684 1 20 . 1 1 65 65 CYS H H 68 7.903 7.903 7.779 0.124 17918 12685 1 20 . 1 1 66 66 GLY N N 69 118.503 118.503 112.659 5.844 17918 12686 1 20 . 1 1 66 66 GLY C C 69 175.872 175.872 175.388 0.484 17918 12687 1 20 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.667 1.275 17918 12688 1 20 . 1 1 66 66 GLY H H 69 8.811 8.811 9.066 -0.255 17918 12689 1 20 . 1 1 67 67 SER N N 70 120.316 120.316 117.937 2.379 17918 12690 1 20 . 1 1 67 67 SER HA H 70 4.245 4.245 4.101 0.144 17918 12691 1 20 . 1 1 67 67 SER C C 70 178.404 178.404 176.021 2.383 17918 12692 1 20 . 1 1 67 67 SER CA C 70 61.611 61.611 60.447 1.164 17918 12693 1 20 . 1 1 67 67 SER CB C 70 64.297 64.297 62.553 1.744 17918 12694 1 20 . 1 1 67 67 SER H H 70 9.556 9.556 7.853 1.703 17918 12695 1 20 . 1 1 68 68 TYR N N 71 129.376 129.376 121.896 7.480 17918 12696 1 20 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.336 -0.305 17918 12697 1 20 . 1 1 68 68 TYR C C 71 177.613 177.613 177.425 0.188 17918 12698 1 20 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.526 2.866 17918 12699 1 20 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.661 0.136 17918 12700 1 20 . 1 1 68 68 TYR H H 71 8.584 8.584 8.570 0.014 17918 12701 1 20 . 1 1 69 69 ALA N N 72 122.673 122.673 121.496 1.177 17918 12702 1 20 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.888 -0.243 17918 12703 1 20 . 1 1 69 69 ALA C C 72 179.011 179.011 178.264 0.747 17918 12704 1 20 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.630 0.660 17918 12705 1 20 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.044 1.077 17918 12706 1 20 . 1 1 69 69 ALA H H 72 5.645 5.645 7.162 -1.517 17918 12707 1 20 . 1 1 70 70 SER N N 73 114.496 114.496 112.755 1.741 17918 12708 1 20 . 1 1 70 70 SER HA H 73 4.782 4.782 4.412 0.370 17918 12709 1 20 . 1 1 70 70 SER C C 73 177.320 177.320 175.288 2.032 17918 12710 1 20 . 1 1 70 70 SER CA C 73 57.287 57.287 58.619 -1.332 17918 12711 1 20 . 1 1 70 70 SER CB C 73 64.538 64.538 63.853 0.685 17918 12712 1 20 . 1 1 70 70 SER H H 73 7.654 7.654 7.303 0.351 17918 12713 1 20 . 1 1 71 71 GLY N N 74 112.182 112.182 109.893 2.289 17918 12714 1 20 . 1 1 71 71 GLY C C 74 174.379 174.379 174.200 0.179 17918 12715 1 20 . 1 1 71 71 GLY CA C 74 48.434 48.434 44.970 3.464 17918 12716 1 20 . 1 1 71 71 GLY H H 74 7.933 7.933 7.827 0.106 17918 12717 1 20 . 1 1 72 72 GLY N N 75 126.463 126.463 108.294 18.169 17918 12718 1 20 . 1 1 72 72 GLY C C 75 175.121 175.121 172.017 3.104 17918 12719 1 20 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.497 0.575 17918 12720 1 20 . 1 1 72 72 GLY H H 75 7.994 7.994 8.478 -0.484 17918 12721 1 20 . 1 1 73 73 ASP N N 76 118.815 118.815 120.288 -1.473 17918 12722 1 20 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.480 -0.066 17918 12723 1 20 . 1 1 73 73 ASP C C 76 177.362 177.362 174.675 2.687 17918 12724 1 20 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.447 2.676 17918 12725 1 20 . 1 1 73 73 ASP CB C 76 42.451 42.451 43.148 -0.696 17918 12726 1 20 . 1 1 73 73 ASP H H 76 6.956 6.956 7.584 -0.628 17918 12727 1 20 . 1 1 74 74 LEU N N 77 128.720 128.720 122.680 6.040 17918 12728 1 20 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.479 -0.124 17918 12729 1 20 . 1 1 74 74 LEU C C 77 179.412 179.412 177.458 1.954 17918 12730 1 20 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.616 2.518 17918 12731 1 20 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.275 1.567 17918 12732 1 20 . 1 1 74 74 LEU H H 77 8.694 8.694 8.338 0.356 17918 12733 1 20 . 1 1 75 75 GLY N N 78 109.695 109.695 107.815 1.880 17918 12734 1 20 . 1 1 75 75 GLY C C 78 173.473 173.473 174.858 -1.385 17918 12735 1 20 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.203 0.143 17918 12736 1 20 . 1 1 75 75 GLY H H 78 8.682 8.682 7.971 0.711 17918 12737 1 20 . 1 1 76 76 PHE N N 79 115.646 115.646 115.119 0.527 17918 12738 1 20 . 1 1 76 76 PHE HA H 79 5.219 5.219 3.920 1.299 17918 12739 1 20 . 1 1 76 76 PHE C C 79 178.904 178.904 174.938 3.966 17918 12740 1 20 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.653 -0.197 17918 12741 1 20 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.194 3.623 17918 12742 1 20 . 1 1 76 76 PHE H H 79 8.203 8.203 7.435 0.768 17918 12743 1 20 . 1 1 77 77 PHE N N 80 119.508 119.508 116.128 3.380 17918 12744 1 20 . 1 1 77 77 PHE HA H 80 5.137 5.137 4.974 0.163 17918 12745 1 20 . 1 1 77 77 PHE C C 80 174.331 174.331 173.733 0.598 17918 12746 1 20 . 1 1 77 77 PHE CA C 80 56.896 56.896 56.442 0.454 17918 12747 1 20 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.069 1.394 17918 12748 1 20 . 1 1 77 77 PHE H H 80 9.112 9.112 8.754 0.358 17918 12749 1 20 . 1 1 78 78 SER N N 81 116.578 116.578 115.677 0.901 17918 12750 1 20 . 1 1 78 78 SER HA H 81 4.957 4.957 4.898 0.059 17918 12751 1 20 . 1 1 78 78 SER C C 81 176.191 176.191 175.384 0.807 17918 12752 1 20 . 1 1 78 78 SER CA C 81 58.065 58.065 57.645 0.420 17918 12753 1 20 . 1 1 78 78 SER CB C 81 66.514 66.514 64.396 2.118 17918 12754 1 20 . 1 1 78 78 SER H H 81 8.930 8.930 9.623 -0.693 17918 12755 1 20 . 1 1 79 79 SER N N 82 118.715 118.715 116.084 2.631 17918 12756 1 20 . 1 1 79 79 SER HA H 82 4.420 4.420 4.399 0.021 17918 12757 1 20 . 1 1 79 79 SER C C 82 176.946 176.946 175.667 1.279 17918 12758 1 20 . 1 1 79 79 SER CA C 82 60.988 60.988 60.376 0.612 17918 12759 1 20 . 1 1 79 79 SER CB C 82 64.242 64.242 62.985 1.257 17918 12760 1 20 . 1 1 79 79 SER H H 82 8.751 8.751 8.696 0.055 17918 12761 1 20 . 1 1 80 80 GLY N N 83 117.069 117.069 108.970 8.099 17918 12762 1 20 . 1 1 80 80 GLY C C 83 175.628 175.628 173.305 2.323 17918 12763 1 20 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.963 1.669 17918 12764 1 20 . 1 1 80 80 GLY H H 83 10.009 10.009 8.263 1.746 17918 12765 1 20 . 1 1 81 81 GLU N N 84 120.322 120.322 123.071 -2.749 17918 12766 1 20 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.402 -0.171 17918 12767 1 20 . 1 1 81 81 GLU C C 84 178.456 178.456 176.162 2.294 17918 12768 1 20 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.438 3.289 17918 12769 1 20 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.646 2.075 17918 12770 1 20 . 1 1 81 81 GLU H H 84 7.812 7.812 8.661 -0.849 17918 12771 1 20 . 1 1 82 82 MET N N 85 117.156 117.156 115.983 1.173 17918 12772 1 20 . 1 1 82 82 MET HA H 85 4.569 4.569 4.709 -0.140 17918 12773 1 20 . 1 1 82 82 MET C C 85 176.991 176.991 175.265 1.726 17918 12774 1 20 . 1 1 82 82 MET CA C 85 53.174 53.174 53.741 -0.567 17918 12775 1 20 . 1 1 82 82 MET CB C 85 34.386 34.386 33.806 0.580 17918 12776 1 20 . 1 1 82 82 MET H H 85 8.601 8.601 8.395 0.206 17918 12777 1 20 . 1 1 83 83 MET N N 86 119.413 119.413 119.990 -0.577 17918 12778 1 20 . 1 1 83 83 MET HA H 86 4.273 4.273 4.592 -0.319 17918 12779 1 20 . 1 1 83 83 MET C C 86 178.979 178.979 177.679 1.300 17918 12780 1 20 . 1 1 83 83 MET CA C 86 58.320 58.320 54.751 3.569 17918 12781 1 20 . 1 1 83 83 MET CB C 86 34.339 34.339 32.898 1.441 17918 12782 1 20 . 1 1 83 83 MET H H 86 8.413 8.413 8.069 0.344 17918 12783 1 20 . 1 1 84 84 LYS N N 87 126.834 126.834 126.677 0.157 17918 12784 1 20 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.002 0.738 17918 12785 1 20 . 1 1 84 84 LYS C C 87 175.267 175.267 176.493 -1.226 17918 12786 1 20 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.353 1.108 17918 12787 1 20 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.701 0.734 17918 12788 1 20 . 1 1 84 84 LYS H H 87 9.099 9.099 9.016 0.083 17918 12789 1 20 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.294 0.171 17918 12790 1 20 . 1 1 85 85 PRO C C 88 180.671 180.671 178.284 2.387 17918 12791 1 20 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.409 1.334 17918 12792 1 20 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.119 1.137 17918 12793 1 20 . 1 1 86 86 PHE N N 89 116.583 116.583 120.220 -3.637 17918 12794 1 20 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.093 -0.446 17918 12795 1 20 . 1 1 86 86 PHE C C 89 177.086 177.086 177.028 0.058 17918 12796 1 20 . 1 1 86 86 PHE CA C 89 61.484 61.484 61.148 0.336 17918 12797 1 20 . 1 1 86 86 PHE CB C 89 41.510 41.510 38.870 2.640 17918 12798 1 20 . 1 1 86 86 PHE H H 89 7.102 7.102 7.990 -0.888 17918 12799 1 20 . 1 1 87 87 GLU N N 90 120.506 120.506 119.165 1.341 17918 12800 1 20 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.746 -0.022 17918 12801 1 20 . 1 1 87 87 GLU C C 90 179.102 179.102 178.327 0.775 17918 12802 1 20 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.642 2.215 17918 12803 1 20 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.554 1.230 17918 12804 1 20 . 1 1 87 87 GLU H H 90 8.126 8.126 8.964 -0.838 17918 12805 1 20 . 1 1 88 88 ASP N N 91 118.355 118.355 119.123 -0.768 17918 12806 1 20 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.372 -0.137 17918 12807 1 20 . 1 1 88 88 ASP C C 91 180.067 180.067 178.547 1.520 17918 12808 1 20 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.162 1.142 17918 12809 1 20 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.759 0.267 17918 12810 1 20 . 1 1 88 88 ASP H H 91 9.121 9.121 8.023 1.098 17918 12811 1 20 . 1 1 89 89 ALA N N 92 121.718 121.718 121.736 -0.018 17918 12812 1 20 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.133 -0.061 17918 12813 1 20 . 1 1 89 89 ALA C C 92 181.131 181.131 179.393 1.738 17918 12814 1 20 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.815 1.030 17918 12815 1 20 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.425 1.674 17918 12816 1 20 . 1 1 89 89 ALA H H 92 7.154 7.154 7.381 -0.227 17918 12817 1 20 . 1 1 90 90 VAL N N 93 117.315 117.315 118.238 -0.923 17918 12818 1 20 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.505 -0.090 17918 12819 1 20 . 1 1 90 90 VAL C C 93 178.908 178.908 178.409 0.499 17918 12820 1 20 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.560 1.194 17918 12821 1 20 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.267 1.082 17918 12822 1 20 . 1 1 90 90 VAL H H 93 7.797 7.797 7.458 0.339 17918 12823 1 20 . 1 1 91 91 ARG N N 94 116.826 116.826 118.240 -1.414 17918 12824 1 20 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.101 -0.247 17918 12825 1 20 . 1 1 91 91 ARG C C 94 177.858 177.858 177.555 0.303 17918 12826 1 20 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.417 2.049 17918 12827 1 20 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.561 1.527 17918 12828 1 20 . 1 1 91 91 ARG H H 94 8.154 8.154 7.659 0.495 17918 12829 1 20 . 1 1 92 92 ALA N N 95 118.849 118.849 120.223 -1.374 17918 12830 1 20 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.179 0.114 17918 12831 1 20 . 1 1 92 92 ALA C C 95 178.452 178.452 177.638 0.814 17918 12832 1 20 . 1 1 92 92 ALA CA C 95 53.477 53.477 52.870 0.607 17918 12833 1 20 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.211 0.936 17918 12834 1 20 . 1 1 92 92 ALA H H 95 7.067 7.067 7.441 -0.374 17918 12835 1 20 . 1 1 93 93 LEU N N 96 120.871 120.871 113.815 7.056 17918 12836 1 20 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.798 -0.284 17918 12837 1 20 . 1 1 93 93 LEU C C 96 179.045 179.045 176.082 2.963 17918 12838 1 20 . 1 1 93 93 LEU CA C 96 55.163 55.163 52.974 2.189 17918 12839 1 20 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.815 1.117 17918 12840 1 20 . 1 1 93 93 LEU H H 96 7.396 7.396 7.235 0.161 17918 12841 1 20 . 1 1 94 94 LYS N N 97 121.289 121.289 120.202 1.087 17918 12842 1 20 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.452 -0.044 17918 12843 1 20 . 1 1 94 94 LYS C C 97 178.629 178.629 176.545 2.084 17918 12844 1 20 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.713 1.581 17918 12845 1 20 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.124 -0.729 17918 12846 1 20 . 1 1 94 94 LYS H H 97 8.274 8.274 8.097 0.177 17918 12847 1 20 . 1 1 95 95 ILE N N 98 122.343 122.343 121.532 0.811 17918 12848 1 20 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.737 -0.672 17918 12849 1 20 . 1 1 95 95 ILE C C 98 178.406 178.406 176.809 1.597 17918 12850 1 20 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.317 2.977 17918 12851 1 20 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.934 1.228 17918 12852 1 20 . 1 1 95 95 ILE H H 98 8.396 8.396 8.539 -0.143 17918 12853 1 20 . 1 1 96 96 GLY N N 99 118.074 118.074 115.692 2.382 17918 12854 1 20 . 1 1 96 96 GLY C C 99 174.605 174.605 174.334 0.271 17918 12855 1 20 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.551 1.622 17918 12856 1 20 . 1 1 96 96 GLY H H 99 8.988 8.988 8.790 0.198 17918 12857 1 20 . 1 1 97 97 ASP N N 100 121.984 121.984 121.480 0.504 17918 12858 1 20 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.958 -0.163 17918 12859 1 20 . 1 1 97 97 ASP C C 100 175.344 175.344 175.262 0.082 17918 12860 1 20 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.174 0.863 17918 12861 1 20 . 1 1 97 97 ASP CB C 100 43.953 43.953 43.088 0.865 17918 12862 1 20 . 1 1 97 97 ASP H H 100 7.978 7.978 8.338 -0.360 17918 12863 1 20 . 1 1 98 98 ILE N N 101 117.483 117.483 119.409 -1.926 17918 12864 1 20 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.451 0.709 17918 12865 1 20 . 1 1 98 98 ILE C C 101 178.147 178.147 175.552 2.595 17918 12866 1 20 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.567 -0.231 17918 12867 1 20 . 1 1 98 98 ILE CB C 101 41.293 41.293 41.698 -0.405 17918 12868 1 20 . 1 1 98 98 ILE H H 101 8.048 8.048 8.375 -0.327 17918 12869 1 20 . 1 1 99 99 SER N N 102 126.778 126.778 123.879 2.899 17918 12870 1 20 . 1 1 99 99 SER HA H 102 4.526 4.526 5.084 -0.558 17918 12871 1 20 . 1 1 99 99 SER C C 102 172.735 172.735 173.030 -0.295 17918 12872 1 20 . 1 1 99 99 SER CA C 102 59.441 59.441 55.807 3.634 17918 12873 1 20 . 1 1 99 99 SER CB C 102 64.572 64.572 63.490 1.082 17918 12874 1 20 . 1 1 99 99 SER H H 102 9.722 9.722 9.087 0.635 17918 12875 1 20 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.577 0.242 17918 12876 1 20 . 1 1 100 100 PRO C C 103 176.647 176.647 176.918 -0.271 17918 12877 1 20 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.603 0.525 17918 12878 1 20 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.402 1.037 17918 12879 1 20 . 1 1 101 101 ILE N N 104 120.048 120.048 118.878 1.170 17918 12880 1 20 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.251 0.056 17918 12881 1 20 . 1 1 101 101 ILE C C 104 178.021 178.021 176.553 1.468 17918 12882 1 20 . 1 1 101 101 ILE CA C 104 65.141 65.141 62.047 3.094 17918 12883 1 20 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.980 0.990 17918 12884 1 20 . 1 1 101 101 ILE H H 104 8.199 8.199 8.232 -0.033 17918 12885 1 20 . 1 1 102 102 VAL N N 105 130.676 130.676 128.544 2.132 17918 12886 1 20 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.409 -0.052 17918 12887 1 20 . 1 1 102 102 VAL C C 105 175.118 175.118 174.691 0.427 17918 12888 1 20 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.258 0.549 17918 12889 1 20 . 1 1 102 102 VAL CB C 105 37.383 37.383 34.073 3.310 17918 12890 1 20 . 1 1 102 102 VAL H H 105 9.285 9.285 8.921 0.364 17918 12891 1 20 . 1 1 103 103 GLN N N 106 128.464 128.464 126.994 1.470 17918 12892 1 20 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.623 0.826 17918 12893 1 20 . 1 1 103 103 GLN C C 106 176.704 176.704 175.933 0.771 17918 12894 1 20 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.977 -0.916 17918 12895 1 20 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.108 1.924 17918 12896 1 20 . 1 1 103 103 GLN H H 106 8.900 8.900 8.873 0.027 17918 12897 1 20 . 1 1 104 104 THR N N 107 116.680 116.680 118.526 -1.846 17918 12898 1 20 . 1 1 104 104 THR HA H 107 4.978 4.978 4.692 0.286 17918 12899 1 20 . 1 1 104 104 THR C C 107 177.189 177.189 174.465 2.724 17918 12900 1 20 . 1 1 104 104 THR CA C 107 61.836 61.836 59.271 2.565 17918 12901 1 20 . 1 1 104 104 THR CB C 107 73.663 73.663 70.521 3.142 17918 12902 1 20 . 1 1 104 104 THR H H 107 9.275 9.275 8.831 0.444 17918 12903 1 20 . 1 1 105 105 ASP N N 108 119.651 119.651 120.868 -1.217 17918 12904 1 20 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.426 0.152 17918 12905 1 20 . 1 1 105 105 ASP C C 108 179.034 179.034 176.977 2.057 17918 12906 1 20 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.930 0.025 17918 12907 1 20 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.801 1.215 17918 12908 1 20 . 1 1 105 105 ASP H H 108 8.945 8.945 8.777 0.168 17918 12909 1 20 . 1 1 106 106 SER N N 109 114.257 114.257 112.408 1.849 17918 12910 1 20 . 1 1 106 106 SER HA H 109 4.642 4.642 4.274 0.368 17918 12911 1 20 . 1 1 106 106 SER C C 109 177.224 177.224 174.311 2.913 17918 12912 1 20 . 1 1 106 106 SER CA C 109 62.788 62.788 60.730 2.058 17918 12913 1 20 . 1 1 106 106 SER CB C 109 64.767 64.767 63.146 1.621 17918 12914 1 20 . 1 1 106 106 SER H H 109 8.968 8.968 8.404 0.564 17918 12915 1 20 . 1 1 107 107 GLY N N 110 111.288 111.288 107.144 4.144 17918 12916 1 20 . 1 1 107 107 GLY C C 110 169.468 169.468 172.302 -2.834 17918 12917 1 20 . 1 1 107 107 GLY CA C 110 46.698 46.698 44.859 1.839 17918 12918 1 20 . 1 1 107 107 GLY H H 110 7.829 7.829 7.778 0.051 17918 12919 1 20 . 1 1 108 108 LEU N N 111 122.506 122.506 120.762 1.744 17918 12920 1 20 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.117 0.254 17918 12921 1 20 . 1 1 108 108 LEU C C 111 175.948 175.948 175.565 0.383 17918 12922 1 20 . 1 1 108 108 LEU CA C 111 54.276 54.276 53.991 0.285 17918 12923 1 20 . 1 1 108 108 LEU CB C 111 45.775 45.775 45.683 0.092 17918 12924 1 20 . 1 1 108 108 LEU H H 111 8.143 8.143 8.765 -0.622 17918 12925 1 20 . 1 1 109 109 HIS N N 112 119.518 119.518 121.369 -1.851 17918 12926 1 20 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.723 0.372 17918 12927 1 20 . 1 1 109 109 HIS C C 112 179.186 179.186 174.681 4.505 17918 12928 1 20 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.977 0.403 17918 12929 1 20 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.697 0.141 17918 12930 1 20 . 1 1 109 109 HIS H H 112 9.764 9.764 9.058 0.706 17918 12931 1 20 . 1 1 110 110 ILE N N 113 113.128 113.128 119.027 -5.899 17918 12932 1 20 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.882 -0.423 17918 12933 1 20 . 1 1 110 110 ILE C C 113 176.666 176.666 174.267 2.399 17918 12934 1 20 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.935 4.502 17918 12935 1 20 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.667 2.069 17918 12936 1 20 . 1 1 110 110 ILE H H 113 8.117 8.117 8.339 -0.222 17918 12937 1 20 . 1 1 111 111 ILE N N 114 125.121 125.121 121.645 3.476 17918 12938 1 20 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.216 -0.446 17918 12939 1 20 . 1 1 111 111 ILE C C 114 173.792 173.792 174.694 -0.902 17918 12940 1 20 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.855 2.129 17918 12941 1 20 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.038 1.645 17918 12942 1 20 . 1 1 111 111 ILE H H 114 8.604 8.604 8.272 0.332 17918 12943 1 20 . 1 1 112 112 LYS N N 115 127.966 127.966 123.569 4.397 17918 12944 1 20 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.129 0.044 17918 12945 1 20 . 1 1 112 112 LYS C C 115 177.267 177.267 174.860 2.407 17918 12946 1 20 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.340 0.035 17918 12947 1 20 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.351 0.162 17918 12948 1 20 . 1 1 112 112 LYS H H 115 9.075 9.075 9.147 -0.072 17918 12949 1 20 . 1 1 113 113 ARG N N 116 126.762 126.762 124.030 2.732 17918 12950 1 20 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.183 0.152 17918 12951 1 20 . 1 1 113 113 ARG C C 116 176.109 176.109 175.992 0.117 17918 12952 1 20 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.164 1.659 17918 12953 1 20 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.027 0.830 17918 12954 1 20 . 1 1 113 113 ARG H H 116 7.830 7.830 8.464 -0.634 17918 12955 1 20 . 1 1 114 114 LEU N N 117 128.545 128.545 127.611 0.934 17918 12956 1 20 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.640 -0.017 17918 12957 1 20 . 1 1 114 114 LEU C C 117 176.857 176.857 175.641 1.216 17918 12958 1 20 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.752 1.240 17918 12959 1 20 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.802 1.337 17918 12960 1 20 . 1 1 114 114 LEU H H 117 8.534 8.534 8.888 -0.354 17918 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 109 4.183 -1.427 3.950 17918 2 1 1 "Average Difference" HA 103 0.360 0.032 0.360 17918 3 1 1 "Average Difference" C 112 1.705 -1.160 1.255 17918 4 1 1 "Average Difference" CA 113 1.847 -1.417 1.190 17918 5 1 1 "Average Difference" CB 102 1.667 -1.168 1.195 17918 6 1 1 "Average Difference" HN 109 0.579 -0.078 0.576 17918 7 1 2 "Average Difference" N 109 3.994 -1.502 3.718 17918 8 1 2 "Average Difference" HA 103 0.375 0.012 0.377 17918 9 1 2 "Average Difference" C 112 1.714 -1.191 1.238 17918 10 1 2 "Average Difference" CA 113 1.851 -1.352 1.270 17918 11 1 2 "Average Difference" CB 102 1.737 -1.210 1.253 17918 12 1 2 "Average Difference" HN 109 0.630 -0.152 0.614 17918 13 1 3 "Average Difference" N 109 3.982 -1.423 3.736 17918 14 1 3 "Average Difference" HA 103 0.340 0.019 0.341 17918 15 1 3 "Average Difference" C 112 1.722 -1.190 1.250 17918 16 1 3 "Average Difference" CA 113 1.854 -1.362 1.264 17918 17 1 3 "Average Difference" CB 102 1.656 -1.194 1.153 17918 18 1 3 "Average Difference" HN 109 0.620 -0.120 0.612 17918 19 1 4 "Average Difference" N 109 3.944 -1.538 3.649 17918 20 1 4 "Average Difference" HA 103 0.364 0.029 0.365 17918 21 1 4 "Average Difference" C 112 1.754 -1.221 1.265 17918 22 1 4 "Average Difference" CA 113 1.865 -1.408 1.228 17918 23 1 4 "Average Difference" CB 102 1.711 -1.186 1.239 17918 24 1 4 "Average Difference" HN 109 0.600 -0.139 0.586 17918 25 1 5 "Average Difference" N 109 3.982 -1.317 3.775 17918 26 1 5 "Average Difference" HA 103 0.341 0.008 0.343 17918 27 1 5 "Average Difference" C 112 1.774 -1.231 1.283 17918 28 1 5 "Average Difference" CA 113 1.876 -1.377 1.280 17918 29 1 5 "Average Difference" CB 102 1.674 -1.210 1.163 17918 30 1 5 "Average Difference" HN 109 0.603 -0.138 0.590 17918 31 1 6 "Average Difference" N 109 4.081 -1.499 3.813 17918 32 1 6 "Average Difference" HA 103 0.368 0.018 0.370 17918 33 1 6 "Average Difference" C 112 1.766 -1.211 1.290 17918 34 1 6 "Average Difference" CA 113 1.828 -1.388 1.194 17918 35 1 6 "Average Difference" CB 102 1.612 -1.122 1.163 17918 36 1 6 "Average Difference" HN 109 0.624 -0.127 0.614 17918 37 1 7 "Average Difference" N 109 4.147 -1.517 3.878 17918 38 1 7 "Average Difference" HA 103 0.366 0.024 0.367 17918 39 1 7 "Average Difference" C 112 1.763 -1.220 1.278 17918 40 1 7 "Average Difference" CA 113 1.818 -1.351 1.222 17918 41 1 7 "Average Difference" CB 102 1.646 -1.158 1.176 17918 42 1 7 "Average Difference" HN 109 0.605 -0.093 0.600 17918 43 1 8 "Average Difference" N 109 3.949 -1.496 3.671 17918 44 1 8 "Average Difference" HA 103 0.353 0.003 0.355 17918 45 1 8 "Average Difference" C 112 1.740 -1.211 1.256 17918 46 1 8 "Average Difference" CA 113 1.776 -1.310 1.205 17918 47 1 8 "Average Difference" CB 102 1.636 -1.175 1.144 17918 48 1 8 "Average Difference" HN 109 0.598 -0.142 0.584 17918 49 1 9 "Average Difference" N 109 4.069 -1.463 3.814 17918 50 1 9 "Average Difference" HA 103 0.366 0.018 0.367 17918 51 1 9 "Average Difference" C 112 1.749 -1.221 1.258 17918 52 1 9 "Average Difference" CA 113 1.809 -1.360 1.197 17918 53 1 9 "Average Difference" CB 102 1.672 -1.172 1.199 17918 54 1 9 "Average Difference" HN 109 0.618 -0.131 0.607 17918 55 1 10 "Average Difference" N 109 4.024 -1.433 3.777 17918 56 1 10 "Average Difference" HA 103 0.349 0.013 0.350 17918 57 1 10 "Average Difference" C 112 1.751 -1.189 1.291 17918 58 1 10 "Average Difference" CA 113 1.798 -1.317 1.229 17918 59 1 10 "Average Difference" CB 102 1.713 -1.231 1.197 17918 60 1 10 "Average Difference" HN 109 0.604 -0.130 0.593 17918 61 1 11 "Average Difference" N 109 4.083 -1.601 3.773 17918 62 1 11 "Average Difference" HA 103 0.380 0.032 0.380 17918 63 1 11 "Average Difference" C 112 1.752 -1.191 1.290 17918 64 1 11 "Average Difference" CA 113 1.748 -1.324 1.145 17918 65 1 11 "Average Difference" CB 102 1.648 -1.136 1.200 17918 66 1 11 "Average Difference" HN 109 0.576 -0.099 0.570 17918 67 1 12 "Average Difference" N 109 3.878 -1.450 3.614 17918 68 1 12 "Average Difference" HA 103 0.364 0.033 0.365 17918 69 1 12 "Average Difference" C 112 1.737 -1.233 1.229 17918 70 1 12 "Average Difference" CA 113 1.832 -1.358 1.235 17918 71 1 12 "Average Difference" CB 102 1.727 -1.259 1.188 17918 72 1 12 "Average Difference" HN 109 0.617 -0.121 0.608 17918 73 1 13 "Average Difference" N 109 3.947 -1.560 3.642 17918 74 1 13 "Average Difference" HA 103 0.331 0.036 0.330 17918 75 1 13 "Average Difference" C 112 1.784 -1.244 1.284 17918 76 1 13 "Average Difference" CA 113 1.837 -1.368 1.231 17918 77 1 13 "Average Difference" CB 102 1.671 -1.141 1.226 17918 78 1 13 "Average Difference" HN 109 0.592 -0.108 0.585 17918 79 1 14 "Average Difference" N 109 3.992 -1.458 3.734 17918 80 1 14 "Average Difference" HA 103 0.386 0.011 0.388 17918 81 1 14 "Average Difference" C 112 1.715 -1.169 1.261 17918 82 1 14 "Average Difference" CA 113 1.799 -1.381 1.159 17918 83 1 14 "Average Difference" CB 102 1.646 -1.167 1.166 17918 84 1 14 "Average Difference" HN 109 0.587 -0.115 0.579 17918 85 1 15 "Average Difference" N 109 4.045 -1.556 3.751 17918 86 1 15 "Average Difference" HA 103 0.313 0.034 0.313 17918 87 1 15 "Average Difference" C 112 1.805 -1.273 1.286 17918 88 1 15 "Average Difference" CA 113 1.779 -1.337 1.179 17918 89 1 15 "Average Difference" CB 102 1.651 -1.166 1.175 17918 90 1 15 "Average Difference" HN 109 0.613 -0.105 0.607 17918 91 1 16 "Average Difference" N 109 3.950 -1.510 3.666 17918 92 1 16 "Average Difference" HA 103 0.336 0.003 0.338 17918 93 1 16 "Average Difference" C 112 1.742 -1.207 1.262 17918 94 1 16 "Average Difference" CA 113 1.764 -1.322 1.173 17918 95 1 16 "Average Difference" CB 102 1.693 -1.192 1.208 17918 96 1 16 "Average Difference" HN 109 0.631 -0.128 0.621 17918 97 1 17 "Average Difference" N 109 4.014 -1.546 3.721 17918 98 1 17 "Average Difference" HA 103 0.368 0.009 0.369 17918 99 1 17 "Average Difference" C 112 1.737 -1.185 1.275 17918 100 1 17 "Average Difference" CA 113 1.854 -1.358 1.268 17918 101 1 17 "Average Difference" CB 102 1.685 -1.219 1.170 17918 102 1 17 "Average Difference" HN 109 0.609 -0.117 0.601 17918 103 1 18 "Average Difference" N 109 4.011 -1.513 3.732 17918 104 1 18 "Average Difference" HA 103 0.319 0.028 0.320 17918 105 1 18 "Average Difference" C 112 1.772 -1.222 1.290 17918 106 1 18 "Average Difference" CA 113 1.776 -1.303 1.212 17918 107 1 18 "Average Difference" CB 102 1.703 -1.172 1.242 17918 108 1 18 "Average Difference" HN 109 0.621 -0.118 0.613 17918 109 1 19 "Average Difference" N 109 3.970 -1.242 3.788 17918 110 1 19 "Average Difference" HA 103 0.360 0.037 0.360 17918 111 1 19 "Average Difference" C 112 1.740 -1.181 1.283 17918 112 1 19 "Average Difference" CA 113 1.834 -1.381 1.212 17918 113 1 19 "Average Difference" CB 102 1.722 -1.168 1.271 17918 114 1 19 "Average Difference" HN 109 0.640 -0.134 0.628 17918 115 1 20 "Average Difference" N 109 4.061 -1.683 3.713 17918 116 1 20 "Average Difference" HA 103 0.385 0.011 0.386 17918 117 1 20 "Average Difference" C 112 1.768 -1.237 1.268 17918 118 1 20 "Average Difference" CA 113 1.798 -1.332 1.212 17918 119 1 20 "Average Difference" CB 102 1.650 -1.138 1.201 17918 120 1 20 "Average Difference" HN 109 0.624 -0.109 0.617 17918 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 17918 _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 SER N N 5 117.478 117.478 116.945 0.533 17918 2 1 . 1 1 2 2 SER HA H 5 4.393 4.393 4.351 0.042 17918 3 1 . 1 1 2 2 SER C C 5 175.466 175.466 175.016 0.450 17918 4 1 . 1 1 2 2 SER CA C 5 59.622 59.622 59.802 -0.179 17918 5 1 . 1 1 2 2 SER CB C 5 64.896 64.896 63.312 1.584 17918 6 1 . 1 1 2 2 SER H H 5 8.317 8.317 8.261 0.056 17918 7 1 . 1 1 3 3 GLU N N 6 123.783 123.783 119.442 4.341 17918 8 1 . 1 1 3 3 GLU HA H 6 4.278 4.278 4.398 -0.120 17918 9 1 . 1 1 3 3 GLU C C 6 177.189 177.189 175.424 1.765 17918 10 1 . 1 1 3 3 GLU CA C 6 57.791 57.791 55.843 1.948 17918 11 1 . 1 1 3 3 GLU CB C 6 31.568 31.568 30.426 1.142 17918 12 1 . 1 1 3 3 GLU H H 6 8.359 8.359 7.934 0.425 17918 13 1 . 1 1 4 4 LYS N N 7 122.875 122.875 119.507 3.368 17918 14 1 . 1 1 4 4 LYS HA H 7 4.514 4.514 4.467 0.047 17918 15 1 . 1 1 4 4 LYS C C 7 176.557 176.557 175.124 1.433 17918 16 1 . 1 1 4 4 LYS CA C 7 56.826 56.826 56.697 0.129 17918 17 1 . 1 1 4 4 LYS CB C 7 35.393 35.393 32.352 3.041 17918 18 1 . 1 1 4 4 LYS H H 7 8.193 8.193 8.262 -0.069 17918 19 1 . 1 1 5 5 LEU N N 8 123.258 123.258 122.882 0.376 17918 20 1 . 1 1 5 5 LEU HA H 8 4.394 4.394 4.773 -0.379 17918 21 1 . 1 1 5 5 LEU C C 8 175.699 175.699 173.787 1.912 17918 22 1 . 1 1 5 5 LEU CA C 8 54.542 54.542 53.435 1.107 17918 23 1 . 1 1 5 5 LEU CB C 8 46.512 46.512 46.743 -0.230 17918 24 1 . 1 1 5 5 LEU H H 8 8.265 8.265 8.877 -0.612 17918 25 1 . 1 1 6 6 ARG N N 9 117.197 117.197 119.752 -2.555 17918 26 1 . 1 1 6 6 ARG HA H 9 4.604 4.604 3.952 0.652 17918 27 1 . 1 1 6 6 ARG C C 9 175.633 175.633 173.555 2.078 17918 28 1 . 1 1 6 6 ARG CA C 9 57.175 57.175 55.149 2.026 17918 29 1 . 1 1 6 6 ARG CB C 9 35.420 35.420 33.041 2.379 17918 30 1 . 1 1 6 6 ARG H H 9 7.759 7.759 8.398 -0.639 17918 31 1 . 1 1 7 7 ALA N N 10 126.954 126.954 127.163 -0.209 17918 32 1 . 1 1 7 7 ALA HA H 10 5.140 5.140 5.073 0.067 17918 33 1 . 1 1 7 7 ALA C C 10 174.004 174.004 174.805 -0.801 17918 34 1 . 1 1 7 7 ALA CA C 10 51.867 51.867 51.451 0.416 17918 35 1 . 1 1 7 7 ALA CB C 10 25.007 25.007 23.062 1.945 17918 36 1 . 1 1 7 7 ALA H H 10 7.637 7.637 8.539 -0.902 17918 37 1 . 1 1 8 8 ALA N N 11 122.081 122.081 123.430 -1.349 17918 38 1 . 1 1 8 8 ALA HA H 11 5.790 5.790 4.621 1.169 17918 39 1 . 1 1 8 8 ALA C C 11 177.446 177.446 175.179 2.267 17918 40 1 . 1 1 8 8 ALA CA C 11 50.276 50.276 50.187 0.089 17918 41 1 . 1 1 8 8 ALA CB C 11 23.621 23.621 20.833 2.788 17918 42 1 . 1 1 8 8 ALA H H 11 8.991 8.991 8.598 0.393 17918 43 1 . 1 1 9 9 HIS N N 12 118.002 118.002 118.943 -0.941 17918 44 1 . 1 1 9 9 HIS HA H 12 6.129 6.129 5.591 0.538 17918 45 1 . 1 1 9 9 HIS C C 12 172.689 172.689 172.855 -0.166 17918 46 1 . 1 1 9 9 HIS CA C 12 55.096 55.096 53.688 1.408 17918 47 1 . 1 1 9 9 HIS CB C 12 38.732 38.732 33.216 5.516 17918 48 1 . 1 1 9 9 HIS H H 12 9.489 9.489 7.928 1.561 17918 49 1 . 1 1 10 10 LEU N N 13 126.276 126.276 120.621 5.655 17918 50 1 . 1 1 10 10 LEU HA H 13 3.906 3.906 4.968 -1.062 17918 51 1 . 1 1 10 10 LEU C C 13 174.163 174.163 174.632 -0.469 17918 52 1 . 1 1 10 10 LEU CA C 13 56.703 56.703 53.583 3.120 17918 53 1 . 1 1 10 10 LEU CB C 13 45.567 45.567 46.261 -0.694 17918 54 1 . 1 1 10 10 LEU H H 13 8.866 8.866 9.197 -0.331 17918 55 1 . 1 1 11 11 LEU N N 14 127.134 127.134 126.654 0.480 17918 56 1 . 1 1 11 11 LEU HA H 14 4.738 4.738 5.385 -0.647 17918 57 1 . 1 1 11 11 LEU C C 14 175.626 175.626 174.635 0.991 17918 58 1 . 1 1 11 11 LEU CA C 14 53.603 53.603 53.277 0.326 17918 59 1 . 1 1 11 11 LEU CB C 14 45.695 45.695 45.014 0.681 17918 60 1 . 1 1 11 11 LEU H H 14 7.762 7.762 8.492 -0.730 17918 61 1 . 1 1 12 12 VAL N N 15 129.450 129.450 128.146 1.304 17918 62 1 . 1 1 12 12 VAL HA H 15 4.410 4.410 4.524 -0.114 17918 63 1 . 1 1 12 12 VAL C C 15 177.055 177.055 174.876 2.179 17918 64 1 . 1 1 12 12 VAL CA C 15 62.841 62.841 60.957 1.884 17918 65 1 . 1 1 12 12 VAL CB C 15 34.389 34.389 34.145 0.244 17918 66 1 . 1 1 12 12 VAL H H 15 9.667 9.667 8.883 0.784 17918 67 1 . 1 1 13 13 LYS N N 16 127.188 127.188 127.717 -0.529 17918 68 1 . 1 1 13 13 LYS HA H 16 4.482 4.482 4.536 -0.054 17918 69 1 . 1 1 13 13 LYS C C 16 176.034 176.034 175.382 0.652 17918 70 1 . 1 1 13 13 LYS CA C 16 58.166 58.166 55.262 2.904 17918 71 1 . 1 1 13 13 LYS CB C 16 37.794 37.794 33.820 3.974 17918 72 1 . 1 1 13 13 LYS H H 16 9.138 9.138 8.962 0.176 17918 73 1 . 1 1 14 14 PHE N N 17 117.138 117.138 120.775 -3.637 17918 74 1 . 1 1 14 14 PHE HA H 17 5.254 5.254 4.971 0.283 17918 75 1 . 1 1 14 14 PHE C C 17 176.588 176.588 176.796 -0.207 17918 76 1 . 1 1 14 14 PHE CA C 17 57.588 57.588 55.328 2.260 17918 77 1 . 1 1 14 14 PHE CB C 17 40.359 40.359 40.055 0.304 17918 78 1 . 1 1 14 14 PHE H H 17 8.617 8.617 8.022 0.595 17918 79 1 . 1 1 15 15 SER N N 18 120.047 120.047 117.191 2.856 17918 80 1 . 1 1 15 15 SER HA H 18 4.019 4.019 4.218 -0.199 17918 81 1 . 1 1 15 15 SER C C 18 180.099 180.099 175.960 4.139 17918 82 1 . 1 1 15 15 SER CA C 18 62.865 62.865 61.637 1.228 17918 83 1 . 1 1 15 15 SER CB C 18 64.300 64.300 63.147 1.153 17918 84 1 . 1 1 15 15 SER H H 18 9.437 9.437 9.137 0.300 17918 85 1 . 1 1 16 16 GLY C C 19 175.458 175.458 174.491 0.967 17918 86 1 . 1 1 16 16 GLY CA C 19 45.782 45.782 44.596 1.186 17918 87 1 . 1 1 17 17 SER N N 20 120.550 120.550 114.916 5.634 17918 88 1 . 1 1 17 17 SER HA H 20 3.839 3.839 3.960 -0.121 17918 89 1 . 1 1 17 17 SER C C 20 174.702 174.702 175.024 -0.322 17918 90 1 . 1 1 17 17 SER CA C 20 62.099 62.099 57.906 4.193 17918 91 1 . 1 1 17 17 SER CB C 20 65.081 65.081 64.245 0.836 17918 92 1 . 1 1 17 17 SER H H 20 7.236 7.236 7.244 -0.008 17918 93 1 . 1 1 18 18 ARG N N 21 123.998 123.998 119.713 4.285 17918 94 1 . 1 1 18 18 ARG HA H 21 4.063 4.063 4.062 0.001 17918 95 1 . 1 1 18 18 ARG C C 21 177.005 177.005 176.276 0.729 17918 96 1 . 1 1 18 18 ARG CA C 21 59.595 59.595 58.122 1.473 17918 97 1 . 1 1 18 18 ARG CB C 21 30.106 30.106 30.554 -0.448 17918 98 1 . 1 1 18 18 ARG H H 21 8.544 8.544 8.203 0.341 17918 99 1 . 1 1 19 19 ASN N N 22 116.403 116.403 115.336 1.067 17918 100 1 . 1 1 19 19 ASN HA H 22 5.264 5.264 5.014 0.250 17918 101 1 . 1 1 19 19 ASN CA C 22 50.820 50.820 50.793 0.027 17918 102 1 . 1 1 19 19 ASN CB C 22 40.496 40.496 39.879 0.617 17918 103 1 . 1 1 19 19 ASN H H 22 8.412 8.412 7.718 0.694 17918 104 1 . 1 1 20 20 PRO HA H 23 4.338 4.338 4.631 -0.293 17918 105 1 . 1 1 20 20 PRO C C 23 176.381 176.381 175.326 1.055 17918 106 1 . 1 1 20 20 PRO CA C 23 64.564 64.564 62.442 2.122 17918 107 1 . 1 1 20 20 PRO CB C 23 29.310 29.310 30.190 -0.880 17918 108 1 . 1 1 21 21 VAL N N 24 126.905 126.905 116.819 10.086 17918 109 1 . 1 1 21 21 VAL HA H 24 4.348 4.348 4.516 -0.168 17918 110 1 . 1 1 21 21 VAL C C 24 176.393 176.393 173.979 2.414 17918 111 1 . 1 1 21 21 VAL CA C 24 62.839 62.839 59.751 3.088 17918 112 1 . 1 1 21 21 VAL CB C 24 35.986 35.986 35.704 0.282 17918 113 1 . 1 1 21 21 VAL H H 24 8.810 8.810 7.611 1.199 17918 114 1 . 1 1 22 22 SER N N 25 121.164 121.164 118.119 3.045 17918 115 1 . 1 1 22 22 SER HA H 25 4.296 4.296 4.913 -0.617 17918 116 1 . 1 1 22 22 SER C C 25 178.264 178.264 175.163 3.101 17918 117 1 . 1 1 22 22 SER CA C 25 59.682 59.682 55.967 3.715 17918 118 1 . 1 1 22 22 SER CB C 25 64.553 64.553 65.974 -1.421 17918 119 1 . 1 1 22 22 SER H H 25 8.657 8.657 7.927 0.730 17918 120 1 . 1 1 23 23 ARG N N 26 129.578 129.578 124.250 5.328 17918 121 1 . 1 1 23 23 ARG HA H 26 4.344 4.344 3.994 0.350 17918 122 1 . 1 1 23 23 ARG C C 26 176.541 176.541 177.591 -1.050 17918 123 1 . 1 1 23 23 ARG CA C 26 57.260 57.260 56.819 0.441 17918 124 1 . 1 1 23 23 ARG CB C 26 29.882 29.882 29.133 0.749 17918 125 1 . 1 1 23 23 ARG H H 26 8.837 8.837 9.078 -0.241 17918 126 1 . 1 1 24 24 ARG N N 27 119.514 119.514 116.156 3.358 17918 127 1 . 1 1 24 24 ARG HA H 27 3.790 3.790 4.228 -0.438 17918 128 1 . 1 1 24 24 ARG C C 27 177.905 177.905 177.491 0.414 17918 129 1 . 1 1 24 24 ARG CA C 27 58.816 58.816 58.360 0.456 17918 130 1 . 1 1 24 24 ARG CB C 27 33.064 33.064 30.512 2.552 17918 131 1 . 1 1 24 24 ARG H H 27 7.439 7.439 7.859 -0.420 17918 132 1 . 1 1 25 25 THR N N 28 127.221 127.221 107.411 19.810 17918 133 1 . 1 1 25 25 THR HA H 28 4.258 4.258 4.442 -0.184 17918 134 1 . 1 1 25 25 THR C C 28 177.078 177.078 175.978 1.100 17918 135 1 . 1 1 25 25 THR CA C 28 62.291 62.291 62.146 0.145 17918 136 1 . 1 1 25 25 THR CB C 28 71.224 71.224 71.562 -0.338 17918 137 1 . 1 1 25 25 THR H H 28 7.088 7.088 7.619 -0.531 17918 138 1 . 1 1 26 26 GLY N N 29 110.483 110.483 111.741 -1.258 17918 139 1 . 1 1 26 26 GLY C C 29 174.471 174.471 173.623 0.848 17918 140 1 . 1 1 26 26 GLY CA C 29 46.469 46.469 45.738 0.731 17918 141 1 . 1 1 26 26 GLY H H 29 7.678 7.678 8.700 -1.022 17918 142 1 . 1 1 27 27 ASP N N 30 120.302 120.302 119.438 0.864 17918 143 1 . 1 1 27 27 ASP HA H 30 4.763 4.763 4.837 -0.074 17918 144 1 . 1 1 27 27 ASP C C 30 177.147 177.147 174.911 2.236 17918 145 1 . 1 1 27 27 ASP CA C 30 54.763 54.763 54.155 0.608 17918 146 1 . 1 1 27 27 ASP CB C 30 42.950 42.950 42.403 0.547 17918 147 1 . 1 1 27 27 ASP H H 30 8.128 8.128 8.241 -0.113 17918 148 1 . 1 1 28 28 SER N N 31 113.726 113.726 113.679 0.047 17918 149 1 . 1 1 28 28 SER HA H 31 4.629 4.629 4.984 -0.355 17918 150 1 . 1 1 28 28 SER C C 31 178.127 178.127 173.385 4.742 17918 151 1 . 1 1 28 28 SER CA C 31 58.869 58.869 57.959 0.910 17918 152 1 . 1 1 28 28 SER CB C 31 64.796 64.796 66.376 -1.580 17918 153 1 . 1 1 28 28 SER H H 31 8.633 8.633 7.741 0.892 17918 154 1 . 1 1 29 29 THR N N 32 120.655 120.655 116.784 3.871 17918 155 1 . 1 1 29 29 THR HA H 32 4.589 4.589 4.653 -0.064 17918 156 1 . 1 1 29 29 THR C C 32 176.368 176.368 173.581 2.787 17918 157 1 . 1 1 29 29 THR CA C 32 62.892 62.892 61.750 1.142 17918 158 1 . 1 1 29 29 THR CB C 32 69.624 69.624 68.871 0.753 17918 159 1 . 1 1 29 29 THR H H 32 8.397 8.397 8.810 -0.413 17918 160 1 . 1 1 30 30 ALA N N 33 124.923 124.923 124.149 0.774 17918 161 1 . 1 1 30 30 ALA HA H 33 3.795 3.795 4.357 -0.562 17918 162 1 . 1 1 30 30 ALA C C 33 177.708 177.708 176.657 1.051 17918 163 1 . 1 1 30 30 ALA CA C 33 55.828 55.828 52.713 3.115 17918 164 1 . 1 1 30 30 ALA CB C 33 19.849 19.849 17.842 2.007 17918 165 1 . 1 1 30 30 ALA H H 33 8.251 8.251 8.519 -0.268 17918 166 1 . 1 1 31 31 ASP N N 34 114.016 114.016 117.627 -3.611 17918 167 1 . 1 1 31 31 ASP HA H 34 4.731 4.731 4.660 0.071 17918 168 1 . 1 1 31 31 ASP C C 34 176.973 176.973 176.362 0.611 17918 169 1 . 1 1 31 31 ASP CA C 34 54.581 54.581 54.137 0.444 17918 170 1 . 1 1 31 31 ASP CB C 34 41.900 41.900 42.151 -0.251 17918 171 1 . 1 1 31 31 ASP H H 34 8.398 8.398 8.011 0.388 17918 172 1 . 1 1 32 32 VAL N N 35 123.637 123.637 120.815 2.822 17918 173 1 . 1 1 32 32 VAL HA H 35 4.260 4.260 4.474 -0.214 17918 174 1 . 1 1 32 32 VAL C C 35 177.725 177.725 174.474 3.251 17918 175 1 . 1 1 32 32 VAL CA C 35 63.492 63.492 60.455 3.037 17918 176 1 . 1 1 32 32 VAL CB C 35 33.757 33.757 33.978 -0.221 17918 177 1 . 1 1 32 32 VAL H H 35 7.323 7.323 7.434 -0.111 17918 178 1 . 1 1 33 33 THR N N 36 121.552 121.552 118.455 3.097 17918 179 1 . 1 1 33 33 THR HA H 36 4.642 4.642 4.770 -0.128 17918 180 1 . 1 1 33 33 THR C C 36 176.268 176.268 175.404 0.864 17918 181 1 . 1 1 33 33 THR CA C 36 62.597 62.597 59.725 2.872 17918 182 1 . 1 1 33 33 THR CB C 36 72.388 72.388 71.257 1.131 17918 183 1 . 1 1 33 33 THR H H 36 9.078 9.078 8.139 0.939 17918 184 1 . 1 1 34 34 TYR N N 37 122.486 122.486 120.144 2.342 17918 185 1 . 1 1 34 34 TYR HA H 37 3.434 3.434 3.664 -0.230 17918 186 1 . 1 1 34 34 TYR C C 37 177.216 177.216 176.966 0.250 17918 187 1 . 1 1 34 34 TYR CA C 37 63.041 63.041 60.810 2.231 17918 188 1 . 1 1 34 34 TYR CB C 37 39.494 39.494 36.546 2.948 17918 189 1 . 1 1 34 34 TYR H H 37 9.247 9.247 8.614 0.633 17918 190 1 . 1 1 35 35 GLU N N 38 116.626 116.626 119.955 -3.329 17918 191 1 . 1 1 35 35 GLU HA H 38 3.679 3.679 3.597 0.082 17918 192 1 . 1 1 35 35 GLU C C 38 180.453 180.453 178.715 1.738 17918 193 1 . 1 1 35 35 GLU CA C 38 61.445 61.445 59.553 1.892 17918 194 1 . 1 1 35 35 GLU CB C 38 30.159 30.159 28.639 1.520 17918 195 1 . 1 1 35 35 GLU H H 38 8.782 8.782 7.850 0.932 17918 196 1 . 1 1 36 36 ASP N N 39 120.670 120.670 119.976 0.694 17918 197 1 . 1 1 36 36 ASP HA H 39 4.372 4.372 4.324 0.048 17918 198 1 . 1 1 36 36 ASP C C 39 180.015 180.015 178.409 1.606 17918 199 1 . 1 1 36 36 ASP CA C 39 58.219 58.219 57.165 1.054 17918 200 1 . 1 1 36 36 ASP CB C 39 41.234 41.234 40.680 0.554 17918 201 1 . 1 1 36 36 ASP H H 39 7.916 7.916 7.787 0.129 17918 202 1 . 1 1 37 37 ALA N N 40 126.126 126.126 122.835 3.291 17918 203 1 . 1 1 37 37 ALA HA H 40 3.840 3.840 4.087 -0.247 17918 204 1 . 1 1 37 37 ALA C C 40 179.923 179.923 179.432 0.491 17918 205 1 . 1 1 37 37 ALA CA C 40 56.345 56.345 55.176 1.169 17918 206 1 . 1 1 37 37 ALA CB C 40 19.853 19.853 18.710 1.143 17918 207 1 . 1 1 37 37 ALA H H 40 8.318 8.318 8.145 0.173 17918 208 1 . 1 1 38 38 ILE N N 41 118.850 118.850 119.100 -0.250 17918 209 1 . 1 1 38 38 ILE HA H 41 3.468 3.468 3.579 -0.111 17918 210 1 . 1 1 38 38 ILE C C 41 179.106 179.106 177.921 1.185 17918 211 1 . 1 1 38 38 ILE CA C 41 64.379 64.379 65.136 -0.757 17918 212 1 . 1 1 38 38 ILE CB C 41 37.291 37.291 37.800 -0.509 17918 213 1 . 1 1 38 38 ILE H H 41 8.151 8.151 8.253 -0.103 17918 214 1 . 1 1 39 39 LYS N N 42 120.585 120.585 119.178 1.407 17918 215 1 . 1 1 39 39 LYS HA H 42 3.984 3.984 3.855 0.129 17918 216 1 . 1 1 39 39 LYS C C 42 180.883 180.883 178.545 2.338 17918 217 1 . 1 1 39 39 LYS CA C 42 60.885 60.885 59.917 0.968 17918 218 1 . 1 1 39 39 LYS CB C 42 33.541 33.541 32.017 1.524 17918 219 1 . 1 1 39 39 LYS H H 42 7.519 7.519 8.121 -0.602 17918 220 1 . 1 1 40 40 GLU N N 43 121.167 121.167 119.897 1.270 17918 221 1 . 1 1 40 40 GLU HA H 43 4.316 4.316 4.012 0.304 17918 222 1 . 1 1 40 40 GLU C C 43 179.969 179.969 178.868 1.101 17918 223 1 . 1 1 40 40 GLU CA C 43 60.006 60.006 59.277 0.729 17918 224 1 . 1 1 40 40 GLU CB C 43 30.741 30.741 29.454 1.287 17918 225 1 . 1 1 40 40 GLU H H 43 7.911 7.911 7.664 0.247 17918 226 1 . 1 1 41 41 LEU N N 44 121.081 121.081 120.460 0.621 17918 227 1 . 1 1 41 41 LEU HA H 44 4.191 4.191 4.215 -0.024 17918 228 1 . 1 1 41 41 LEU C C 44 180.778 180.778 179.733 1.045 17918 229 1 . 1 1 41 41 LEU CA C 44 58.933 58.933 58.386 0.547 17918 230 1 . 1 1 41 41 LEU CB C 44 42.885 42.885 41.496 1.389 17918 231 1 . 1 1 41 41 LEU H H 44 8.424 8.424 7.892 0.532 17918 232 1 . 1 1 42 42 GLN N N 45 121.129 121.129 119.057 2.072 17918 233 1 . 1 1 42 42 GLN HA H 45 4.029 4.029 4.166 -0.137 17918 234 1 . 1 1 42 42 GLN C C 45 179.911 179.911 178.818 1.093 17918 235 1 . 1 1 42 42 GLN CA C 45 60.359 60.359 58.446 1.913 17918 236 1 . 1 1 42 42 GLN CB C 45 29.022 29.022 28.387 0.635 17918 237 1 . 1 1 42 42 GLN H H 45 8.971 8.971 8.338 0.633 17918 238 1 . 1 1 43 43 LYS N N 46 121.830 121.830 120.843 0.987 17918 239 1 . 1 1 43 43 LYS HA H 46 4.007 4.007 3.980 0.027 17918 240 1 . 1 1 43 43 LYS C C 46 180.898 180.898 178.777 2.121 17918 241 1 . 1 1 43 43 LYS CA C 46 60.644 60.644 59.474 1.170 17918 242 1 . 1 1 43 43 LYS CB C 46 32.464 32.464 32.048 0.416 17918 243 1 . 1 1 43 43 LYS H H 46 7.769 7.769 7.580 0.189 17918 244 1 . 1 1 44 44 TRP N N 47 119.737 119.737 121.178 -1.441 17918 245 1 . 1 1 44 44 TRP HA H 47 3.956 3.956 4.247 -0.291 17918 246 1 . 1 1 44 44 TRP C C 47 179.173 179.173 178.473 0.700 17918 247 1 . 1 1 44 44 TRP CA C 47 63.046 63.046 59.934 3.112 17918 248 1 . 1 1 44 44 TRP CB C 47 29.615 29.615 29.607 0.008 17918 249 1 . 1 1 44 44 TRP H H 47 8.002 8.002 8.432 -0.430 17918 250 1 . 1 1 45 45 SER N N 48 114.940 114.940 113.634 1.306 17918 251 1 . 1 1 45 45 SER HA H 48 4.072 4.072 4.032 0.040 17918 252 1 . 1 1 45 45 SER C C 48 178.249 178.249 177.040 1.209 17918 253 1 . 1 1 45 45 SER CA C 48 63.707 63.707 61.605 2.102 17918 254 1 . 1 1 45 45 SER H H 48 8.901 8.901 8.650 0.251 17918 255 1 . 1 1 46 46 GLN N N 49 121.411 121.411 122.638 -1.227 17918 256 1 . 1 1 46 46 GLN HA H 49 4.197 4.197 4.056 0.141 17918 257 1 . 1 1 46 46 GLN C C 49 179.809 179.809 178.040 1.769 17918 258 1 . 1 1 46 46 GLN CA C 49 59.859 59.859 58.987 0.872 17918 259 1 . 1 1 46 46 GLN CB C 49 29.193 29.193 28.694 0.499 17918 260 1 . 1 1 46 46 GLN H H 49 7.950 7.950 7.644 0.306 17918 261 1 . 1 1 47 47 ARG N N 50 121.809 121.809 119.871 1.938 17918 262 1 . 1 1 47 47 ARG HA H 50 4.051 4.051 4.290 -0.239 17918 263 1 . 1 1 47 47 ARG C C 50 179.464 179.464 179.283 0.181 17918 264 1 . 1 1 47 47 ARG CA C 50 61.047 61.047 59.594 1.453 17918 265 1 . 1 1 47 47 ARG CB C 50 31.993 31.993 30.423 1.570 17918 266 1 . 1 1 47 47 ARG H H 50 7.834 7.834 8.127 -0.293 17918 267 1 . 1 1 48 48 ILE N N 51 120.569 120.569 118.670 1.899 17918 268 1 . 1 1 48 48 ILE HA H 51 4.488 4.488 4.257 0.231 17918 269 1 . 1 1 48 48 ILE C C 51 181.848 181.848 178.099 3.749 17918 270 1 . 1 1 48 48 ILE CA C 51 64.563 64.563 64.604 -0.041 17918 271 1 . 1 1 48 48 ILE CB C 51 40.693 40.693 37.950 2.743 17918 272 1 . 1 1 48 48 ILE H H 51 8.127 8.127 8.704 -0.577 17918 273 1 . 1 1 49 49 ALA N N 52 124.538 124.538 121.015 3.523 17918 274 1 . 1 1 49 49 ALA HA H 52 4.209 4.209 4.146 0.063 17918 275 1 . 1 1 49 49 ALA C C 52 181.120 181.120 178.756 2.364 17918 276 1 . 1 1 49 49 ALA CA C 52 56.419 56.419 54.205 2.214 17918 277 1 . 1 1 49 49 ALA CB C 52 19.416 19.416 19.044 0.372 17918 278 1 . 1 1 49 49 ALA H H 52 8.526 8.526 7.529 0.997 17918 279 1 . 1 1 50 50 SER N N 53 111.097 111.097 113.833 -2.736 17918 280 1 . 1 1 50 50 SER HA H 53 4.428 4.428 4.318 0.110 17918 281 1 . 1 1 50 50 SER C C 53 176.608 176.608 176.237 0.371 17918 282 1 . 1 1 50 50 SER CA C 53 60.248 60.248 59.522 0.726 17918 283 1 . 1 1 50 50 SER CB C 53 65.098 65.098 64.448 0.650 17918 284 1 . 1 1 50 50 SER H H 53 8.124 8.124 8.318 -0.194 17918 285 1 . 1 1 51 51 GLY N N 54 110.581 110.581 109.132 1.449 17918 286 1 . 1 1 51 51 GLY C C 54 175.699 175.699 174.912 0.787 17918 287 1 . 1 1 51 51 GLY CA C 54 46.431 46.431 44.817 1.614 17918 288 1 . 1 1 51 51 GLY H H 54 7.904 7.904 8.311 -0.407 17918 289 1 . 1 1 52 52 GLU N N 55 122.231 122.231 120.532 1.699 17918 290 1 . 1 1 52 52 GLU HA H 55 4.003 4.003 4.118 -0.115 17918 291 1 . 1 1 52 52 GLU C C 55 177.647 177.647 176.811 0.836 17918 292 1 . 1 1 52 52 GLU CA C 55 60.088 60.088 58.624 1.464 17918 293 1 . 1 1 52 52 GLU CB C 55 31.623 31.623 30.239 1.384 17918 294 1 . 1 1 52 52 GLU H H 55 8.204 8.204 7.951 0.253 17918 295 1 . 1 1 53 53 VAL N N 56 111.615 111.615 111.847 -0.232 17918 296 1 . 1 1 53 53 VAL HA H 56 4.579 4.579 4.576 0.003 17918 297 1 . 1 1 53 53 VAL C C 56 175.225 175.225 174.550 0.675 17918 298 1 . 1 1 53 53 VAL CA C 56 59.684 59.684 59.857 -0.173 17918 299 1 . 1 1 53 53 VAL CB C 56 36.533 36.533 35.738 0.795 17918 300 1 . 1 1 53 53 VAL H H 56 7.274 7.274 7.458 -0.184 17918 301 1 . 1 1 54 54 SER N N 57 119.532 119.532 114.789 4.743 17918 302 1 . 1 1 54 54 SER HA H 57 4.692 4.692 4.737 -0.045 17918 303 1 . 1 1 54 54 SER C C 57 176.092 176.092 175.427 0.665 17918 304 1 . 1 1 54 54 SER CA C 57 58.189 58.189 56.828 1.361 17918 305 1 . 1 1 54 54 SER CB C 57 66.447 66.447 65.290 1.157 17918 306 1 . 1 1 54 54 SER H H 57 8.637 8.637 8.204 0.433 17918 307 1 . 1 1 55 55 PHE N N 58 123.609 123.609 122.681 0.928 17918 308 1 . 1 1 55 55 PHE HA H 58 3.654 3.654 4.152 -0.498 17918 309 1 . 1 1 55 55 PHE C C 58 177.469 177.469 176.815 0.654 17918 310 1 . 1 1 55 55 PHE CA C 58 63.857 63.857 61.294 2.563 17918 311 1 . 1 1 55 55 PHE CB C 58 40.966 40.966 38.806 2.160 17918 312 1 . 1 1 55 55 PHE H H 58 9.326 9.326 9.103 0.223 17918 313 1 . 1 1 56 56 GLU N N 59 116.994 116.994 118.754 -1.760 17918 314 1 . 1 1 56 56 GLU HA H 59 4.205 4.205 4.259 -0.054 17918 315 1 . 1 1 56 56 GLU C C 59 180.852 180.852 179.278 1.574 17918 316 1 . 1 1 56 56 GLU CA C 59 61.367 61.367 59.993 1.374 17918 317 1 . 1 1 56 56 GLU CB C 59 29.830 29.830 28.932 0.898 17918 318 1 . 1 1 56 56 GLU H H 59 9.464 9.464 8.788 0.676 17918 319 1 . 1 1 57 57 GLU N N 60 122.452 122.452 118.847 3.605 17918 320 1 . 1 1 57 57 GLU HA H 60 4.023 4.023 4.033 -0.010 17918 321 1 . 1 1 57 57 GLU C C 60 179.899 179.899 178.599 1.300 17918 322 1 . 1 1 57 57 GLU CA C 60 60.013 60.013 58.870 1.143 17918 323 1 . 1 1 57 57 GLU CB C 60 31.185 31.185 29.155 2.030 17918 324 1 . 1 1 57 57 GLU H H 60 7.978 7.978 7.640 0.338 17918 325 1 . 1 1 58 58 ALA N N 61 123.053 123.053 121.734 1.319 17918 326 1 . 1 1 58 58 ALA HA H 61 3.581 3.581 3.108 0.473 17918 327 1 . 1 1 58 58 ALA C C 61 179.854 179.854 179.079 0.775 17918 328 1 . 1 1 58 58 ALA CA C 61 55.881 55.881 54.423 1.458 17918 329 1 . 1 1 58 58 ALA CB C 61 20.060 20.060 17.521 2.539 17918 330 1 . 1 1 58 58 ALA H H 61 8.157 8.157 7.320 0.837 17918 331 1 . 1 1 59 59 ALA N N 62 120.029 120.029 120.699 -0.670 17918 332 1 . 1 1 59 59 ALA HA H 62 3.552 3.552 3.918 -0.366 17918 333 1 . 1 1 59 59 ALA C C 62 181.080 181.080 179.920 1.160 17918 334 1 . 1 1 59 59 ALA CA C 62 56.418 56.418 54.963 1.455 17918 335 1 . 1 1 59 59 ALA CB C 62 18.042 18.042 18.403 -0.361 17918 336 1 . 1 1 59 59 ALA H H 62 8.540 8.540 8.435 0.105 17918 337 1 . 1 1 60 60 SER N N 63 113.010 113.010 111.794 1.216 17918 338 1 . 1 1 60 60 SER HA H 63 4.766 4.766 4.369 0.397 17918 339 1 . 1 1 60 60 SER C C 63 176.299 176.299 175.804 0.495 17918 340 1 . 1 1 60 60 SER CA C 63 62.414 62.414 61.310 1.104 17918 341 1 . 1 1 60 60 SER CB C 63 64.687 64.687 63.375 1.312 17918 342 1 . 1 1 60 60 SER H H 63 8.013 8.013 7.869 0.144 17918 343 1 . 1 1 61 61 GLN N N 64 115.830 115.830 116.587 -0.757 17918 344 1 . 1 1 61 61 GLN HA H 64 4.130 4.130 4.368 -0.238 17918 345 1 . 1 1 61 61 GLN C C 64 178.579 178.579 177.172 1.407 17918 346 1 . 1 1 61 61 GLN CA C 64 58.366 58.366 57.553 0.813 17918 347 1 . 1 1 61 61 GLN CB C 64 31.376 31.376 29.525 1.851 17918 348 1 . 1 1 61 61 GLN H H 64 7.496 7.496 7.467 0.029 17918 349 1 . 1 1 62 62 ARG N N 65 115.716 115.716 117.212 -1.496 17918 350 1 . 1 1 62 62 ARG HA H 65 4.461 4.461 4.490 -0.029 17918 351 1 . 1 1 62 62 ARG C C 65 176.601 176.601 176.718 -0.117 17918 352 1 . 1 1 62 62 ARG CA C 65 52.631 52.631 55.072 -2.441 17918 353 1 . 1 1 62 62 ARG CB C 65 32.656 32.656 31.010 1.646 17918 354 1 . 1 1 62 62 ARG H H 65 7.693 7.693 8.454 -0.761 17918 355 1 . 1 1 63 63 SER N N 66 114.680 114.680 115.815 -1.135 17918 356 1 . 1 1 63 63 SER HA H 66 4.222 4.222 4.626 -0.404 17918 357 1 . 1 1 63 63 SER C C 66 177.034 177.034 175.142 1.892 17918 358 1 . 1 1 63 63 SER CA C 66 59.677 59.677 58.558 1.119 17918 359 1 . 1 1 63 63 SER CB C 66 65.786 65.786 63.298 2.488 17918 360 1 . 1 1 63 63 SER H H 66 8.528 8.528 7.672 0.856 17918 361 1 . 1 1 64 64 ASP N N 67 123.612 123.612 125.454 -1.842 17918 362 1 . 1 1 64 64 ASP HA H 67 4.899 4.899 4.412 0.487 17918 363 1 . 1 1 64 64 ASP C C 67 176.674 176.674 176.575 0.099 17918 364 1 . 1 1 64 64 ASP CA C 67 55.991 55.991 56.091 -0.100 17918 365 1 . 1 1 64 64 ASP CB C 67 43.657 43.657 41.143 2.514 17918 366 1 . 1 1 64 64 ASP H H 67 9.645 9.645 8.841 0.804 17918 367 1 . 1 1 65 65 CYS N N 68 124.716 124.716 117.766 6.950 17918 368 1 . 1 1 65 65 CYS HA H 68 4.445 4.445 4.567 -0.122 17918 369 1 . 1 1 65 65 CYS C C 68 177.747 177.747 177.071 0.675 17918 370 1 . 1 1 65 65 CYS CA C 68 60.118 60.118 59.081 1.036 17918 371 1 . 1 1 65 65 CYS CB C 68 30.459 30.459 29.723 0.736 17918 372 1 . 1 1 65 65 CYS H H 68 7.903 7.903 7.629 0.274 17918 373 1 . 1 1 66 66 GLY N N 69 118.503 118.503 111.730 6.773 17918 374 1 . 1 1 66 66 GLY C C 69 175.872 175.872 175.487 0.385 17918 375 1 . 1 1 66 66 GLY CA C 69 48.942 48.942 47.410 1.532 17918 376 1 . 1 1 66 66 GLY H H 69 8.811 8.811 9.029 -0.218 17918 377 1 . 1 1 67 67 SER N N 70 120.316 120.316 117.816 2.500 17918 378 1 . 1 1 67 67 SER HA H 70 4.245 4.245 4.102 0.143 17918 379 1 . 1 1 67 67 SER C C 70 178.404 178.404 176.012 2.392 17918 380 1 . 1 1 67 67 SER CA C 70 61.611 61.611 60.373 1.238 17918 381 1 . 1 1 67 67 SER CB C 70 64.297 64.297 62.495 1.802 17918 382 1 . 1 1 67 67 SER H H 70 9.556 9.556 7.971 1.585 17918 383 1 . 1 1 68 68 TYR N N 71 129.376 129.376 121.759 7.617 17918 384 1 . 1 1 68 68 TYR HA H 71 4.031 4.031 4.314 -0.283 17918 385 1 . 1 1 68 68 TYR C C 71 177.613 177.613 177.230 0.383 17918 386 1 . 1 1 68 68 TYR CA C 71 62.392 62.392 59.471 2.921 17918 387 1 . 1 1 68 68 TYR CB C 71 36.797 36.797 36.677 0.120 17918 388 1 . 1 1 68 68 TYR H H 71 8.584 8.584 8.381 0.203 17918 389 1 . 1 1 69 69 ALA N N 72 122.673 122.673 121.288 1.385 17918 390 1 . 1 1 69 69 ALA HA H 72 3.645 3.645 3.832 -0.187 17918 391 1 . 1 1 69 69 ALA C C 72 179.011 179.011 178.188 0.823 17918 392 1 . 1 1 69 69 ALA CA C 72 54.290 54.290 53.621 0.669 17918 393 1 . 1 1 69 69 ALA CB C 72 19.121 19.121 18.067 1.054 17918 394 1 . 1 1 69 69 ALA H H 72 5.645 5.645 7.128 -1.484 17918 395 1 . 1 1 70 70 SER N N 73 114.496 114.496 112.661 1.835 17918 396 1 . 1 1 70 70 SER HA H 73 4.782 4.782 4.455 0.327 17918 397 1 . 1 1 70 70 SER C C 73 177.320 177.320 175.005 2.315 17918 398 1 . 1 1 70 70 SER CA C 73 57.287 57.287 57.975 -0.688 17918 399 1 . 1 1 70 70 SER CB C 73 64.538 64.538 64.042 0.496 17918 400 1 . 1 1 70 70 SER H H 73 7.654 7.654 7.480 0.174 17918 401 1 . 1 1 71 71 GLY N N 74 112.182 112.182 109.225 2.957 17918 402 1 . 1 1 71 71 GLY C C 74 174.379 174.379 174.504 -0.125 17918 403 1 . 1 1 71 71 GLY CA C 74 48.434 48.434 45.020 3.414 17918 404 1 . 1 1 71 71 GLY H H 74 7.933 7.933 7.571 0.362 17918 405 1 . 1 1 72 72 GLY N N 75 126.463 126.463 108.393 18.070 17918 406 1 . 1 1 72 72 GLY C C 75 175.121 175.121 172.348 2.773 17918 407 1 . 1 1 72 72 GLY CA C 75 46.072 46.072 45.442 0.630 17918 408 1 . 1 1 72 72 GLY H H 75 7.994 7.994 8.415 -0.421 17918 409 1 . 1 1 73 73 ASP N N 76 118.815 118.815 120.470 -1.655 17918 410 1 . 1 1 73 73 ASP HA H 76 4.414 4.414 4.497 -0.083 17918 411 1 . 1 1 73 73 ASP C C 76 177.362 177.362 174.700 2.662 17918 412 1 . 1 1 73 73 ASP CA C 76 56.123 56.123 53.557 2.566 17918 413 1 . 1 1 73 73 ASP CB C 76 42.451 42.451 42.814 -0.363 17918 414 1 . 1 1 73 73 ASP H H 76 6.956 6.956 7.602 -0.646 17918 415 1 . 1 1 74 74 LEU N N 77 128.720 128.720 123.216 5.504 17918 416 1 . 1 1 74 74 LEU HA H 77 4.355 4.355 4.550 -0.195 17918 417 1 . 1 1 74 74 LEU C C 77 179.412 179.412 177.447 1.965 17918 418 1 . 1 1 74 74 LEU CA C 77 56.134 56.134 53.767 2.367 17918 419 1 . 1 1 74 74 LEU CB C 77 44.842 44.842 43.337 1.505 17918 420 1 . 1 1 74 74 LEU H H 77 8.694 8.694 8.313 0.381 17918 421 1 . 1 1 75 75 GLY N N 78 109.695 109.695 107.945 1.750 17918 422 1 . 1 1 75 75 GLY C C 78 173.473 173.473 174.667 -1.194 17918 423 1 . 1 1 75 75 GLY CA C 78 45.346 45.346 45.020 0.326 17918 424 1 . 1 1 75 75 GLY H H 78 8.682 8.682 7.669 1.013 17918 425 1 . 1 1 76 76 PHE N N 79 115.646 115.646 115.855 -0.209 17918 426 1 . 1 1 76 76 PHE HA H 79 5.219 5.219 4.123 1.096 17918 427 1 . 1 1 76 76 PHE C C 79 178.904 178.904 174.911 3.993 17918 428 1 . 1 1 76 76 PHE CA C 79 59.456 59.456 59.274 0.182 17918 429 1 . 1 1 76 76 PHE CB C 79 41.817 41.817 38.066 3.751 17918 430 1 . 1 1 76 76 PHE H H 79 8.203 8.203 7.528 0.675 17918 431 1 . 1 1 77 77 PHE N N 80 119.508 119.508 117.644 1.864 17918 432 1 . 1 1 77 77 PHE HA H 80 5.137 5.137 5.013 0.124 17918 433 1 . 1 1 77 77 PHE C C 80 174.331 174.331 173.812 0.519 17918 434 1 . 1 1 77 77 PHE CA C 80 56.896 56.896 55.862 1.034 17918 435 1 . 1 1 77 77 PHE CB C 80 42.463 42.463 41.160 1.303 17918 436 1 . 1 1 77 77 PHE H H 80 9.112 9.112 8.819 0.293 17918 437 1 . 1 1 78 78 SER N N 81 116.578 116.578 116.089 0.489 17918 438 1 . 1 1 78 78 SER HA H 81 4.957 4.957 4.983 -0.026 17918 439 1 . 1 1 78 78 SER C C 81 176.191 176.191 175.769 0.421 17918 440 1 . 1 1 78 78 SER CA C 81 58.065 58.065 57.325 0.740 17918 441 1 . 1 1 78 78 SER CB C 81 66.514 66.514 64.649 1.865 17918 442 1 . 1 1 78 78 SER H H 81 8.930 8.930 9.090 -0.160 17918 443 1 . 1 1 79 79 SER N N 82 118.715 118.715 119.393 -0.678 17918 444 1 . 1 1 79 79 SER HA H 82 4.420 4.420 4.284 0.136 17918 445 1 . 1 1 79 79 SER C C 82 176.946 176.946 176.068 0.878 17918 446 1 . 1 1 79 79 SER CA C 82 60.988 60.988 60.680 0.308 17918 447 1 . 1 1 79 79 SER CB C 82 64.242 64.242 62.733 1.509 17918 448 1 . 1 1 79 79 SER H H 82 8.751 8.751 8.874 -0.123 17918 449 1 . 1 1 80 80 GLY N N 83 117.069 117.069 108.929 8.140 17918 450 1 . 1 1 80 80 GLY C C 83 175.628 175.628 173.679 1.949 17918 451 1 . 1 1 80 80 GLY CA C 83 46.632 46.632 44.942 1.690 17918 452 1 . 1 1 80 80 GLY H H 83 10.009 10.009 8.321 1.688 17918 453 1 . 1 1 81 81 GLU N N 84 120.322 120.322 121.364 -1.042 17918 454 1 . 1 1 81 81 GLU HA H 84 4.231 4.231 4.410 -0.179 17918 455 1 . 1 1 81 81 GLU C C 84 178.456 178.456 176.391 2.065 17918 456 1 . 1 1 81 81 GLU CA C 84 59.727 59.727 56.427 3.300 17918 457 1 . 1 1 81 81 GLU CB C 84 32.721 32.721 30.470 2.251 17918 458 1 . 1 1 81 81 GLU H H 84 7.812 7.812 8.328 -0.516 17918 459 1 . 1 1 82 82 MET N N 85 117.156 117.156 116.820 0.336 17918 460 1 . 1 1 82 82 MET HA H 85 4.569 4.569 4.634 -0.065 17918 461 1 . 1 1 82 82 MET C C 85 176.991 176.991 175.512 1.479 17918 462 1 . 1 1 82 82 MET CA C 85 53.174 53.174 53.930 -0.756 17918 463 1 . 1 1 82 82 MET CB C 85 34.386 34.386 33.647 0.739 17918 464 1 . 1 1 82 82 MET H H 85 8.601 8.601 7.713 0.888 17918 465 1 . 1 1 83 83 MET N N 86 119.413 119.413 119.277 0.136 17918 466 1 . 1 1 83 83 MET HA H 86 4.273 4.273 4.521 -0.248 17918 467 1 . 1 1 83 83 MET C C 86 178.979 178.979 177.534 1.445 17918 468 1 . 1 1 83 83 MET CA C 86 58.320 58.320 54.688 3.632 17918 469 1 . 1 1 83 83 MET CB C 86 34.339 34.339 33.023 1.316 17918 470 1 . 1 1 83 83 MET H H 86 8.413 8.413 8.195 0.218 17918 471 1 . 1 1 84 84 LYS N N 87 126.834 126.834 124.188 2.646 17918 472 1 . 1 1 84 84 LYS HA H 87 4.740 4.740 4.156 0.584 17918 473 1 . 1 1 84 84 LYS C C 87 175.267 175.267 176.651 -1.384 17918 474 1 . 1 1 84 84 LYS CA C 87 62.461 62.461 61.251 1.210 17918 475 1 . 1 1 84 84 LYS CB C 87 31.435 31.435 30.340 1.095 17918 476 1 . 1 1 84 84 LYS H H 87 9.099 9.099 8.905 0.194 17918 477 1 . 1 1 85 85 PRO HA H 88 4.465 4.465 4.348 0.117 17918 478 1 . 1 1 85 85 PRO C C 88 180.671 180.671 178.506 2.166 17918 479 1 . 1 1 85 85 PRO CA C 88 66.743 66.743 65.422 1.321 17918 480 1 . 1 1 85 85 PRO CB C 88 32.256 32.256 31.399 0.857 17918 481 1 . 1 1 86 86 PHE N N 89 116.583 116.583 120.031 -3.448 17918 482 1 . 1 1 86 86 PHE HA H 89 3.647 3.647 4.140 -0.493 17918 483 1 . 1 1 86 86 PHE C C 89 177.086 177.086 176.932 0.154 17918 484 1 . 1 1 86 86 PHE CA C 89 61.484 61.484 60.849 0.635 17918 485 1 . 1 1 86 86 PHE CB C 89 41.510 41.510 39.134 2.376 17918 486 1 . 1 1 86 86 PHE H H 89 7.102 7.102 7.774 -0.672 17918 487 1 . 1 1 87 87 GLU N N 90 120.506 120.506 119.497 1.009 17918 488 1 . 1 1 87 87 GLU HA H 90 3.724 3.724 3.787 -0.063 17918 489 1 . 1 1 87 87 GLU C C 90 179.102 179.102 178.620 0.482 17918 490 1 . 1 1 87 87 GLU CA C 90 61.857 61.857 59.549 2.308 17918 491 1 . 1 1 87 87 GLU CB C 90 30.784 30.784 29.215 1.569 17918 492 1 . 1 1 87 87 GLU H H 90 8.126 8.126 8.807 -0.681 17918 493 1 . 1 1 88 88 ASP N N 91 118.355 118.355 119.299 -0.944 17918 494 1 . 1 1 88 88 ASP HA H 91 4.235 4.235 4.366 -0.131 17918 495 1 . 1 1 88 88 ASP C C 91 180.067 180.067 178.182 1.885 17918 496 1 . 1 1 88 88 ASP CA C 91 58.304 58.304 57.329 0.975 17918 497 1 . 1 1 88 88 ASP CB C 91 41.026 41.026 40.703 0.323 17918 498 1 . 1 1 88 88 ASP H H 91 9.121 9.121 8.195 0.926 17918 499 1 . 1 1 89 89 ALA N N 92 121.718 121.718 121.469 0.249 17918 500 1 . 1 1 89 89 ALA HA H 92 4.072 4.072 4.128 -0.056 17918 501 1 . 1 1 89 89 ALA C C 92 181.131 181.131 179.535 1.596 17918 502 1 . 1 1 89 89 ALA CA C 92 55.845 55.845 54.789 1.056 17918 503 1 . 1 1 89 89 ALA CB C 92 20.099 20.099 18.398 1.701 17918 504 1 . 1 1 89 89 ALA H H 92 7.154 7.154 7.372 -0.218 17918 505 1 . 1 1 90 90 VAL N N 93 117.315 117.315 117.985 -0.670 17918 506 1 . 1 1 90 90 VAL HA H 93 3.415 3.415 3.551 -0.137 17918 507 1 . 1 1 90 90 VAL C C 93 178.908 178.908 177.927 0.981 17918 508 1 . 1 1 90 90 VAL CA C 93 67.754 67.754 66.091 1.663 17918 509 1 . 1 1 90 90 VAL CB C 93 32.349 32.349 31.249 1.100 17918 510 1 . 1 1 90 90 VAL H H 93 7.797 7.797 7.298 0.499 17918 511 1 . 1 1 91 91 ARG N N 94 116.826 116.826 118.587 -1.761 17918 512 1 . 1 1 91 91 ARG HA H 94 3.854 3.854 4.102 -0.248 17918 513 1 . 1 1 91 91 ARG C C 94 177.858 177.858 177.900 -0.042 17918 514 1 . 1 1 91 91 ARG CA C 94 60.466 60.466 58.649 1.817 17918 515 1 . 1 1 91 91 ARG CB C 94 31.088 31.088 29.817 1.271 17918 516 1 . 1 1 91 91 ARG H H 94 8.154 8.154 7.940 0.214 17918 517 1 . 1 1 92 92 ALA N N 95 118.849 118.849 121.715 -2.866 17918 518 1 . 1 1 92 92 ALA HA H 95 4.293 4.293 4.201 0.092 17918 519 1 . 1 1 92 92 ALA C C 95 178.452 178.452 177.828 0.624 17918 520 1 . 1 1 92 92 ALA CA C 95 53.477 53.477 53.697 -0.220 17918 521 1 . 1 1 92 92 ALA CB C 95 20.147 20.147 19.061 1.086 17918 522 1 . 1 1 92 92 ALA H H 95 7.067 7.067 7.480 -0.413 17918 523 1 . 1 1 93 93 LEU N N 96 120.871 120.871 114.240 6.631 17918 524 1 . 1 1 93 93 LEU HA H 96 4.514 4.514 4.639 -0.126 17918 525 1 . 1 1 93 93 LEU C C 96 179.045 179.045 175.701 3.344 17918 526 1 . 1 1 93 93 LEU CA C 96 55.163 55.163 53.258 1.905 17918 527 1 . 1 1 93 93 LEU CB C 96 44.932 44.932 43.201 1.731 17918 528 1 . 1 1 93 93 LEU H H 96 7.396 7.396 7.379 0.017 17918 529 1 . 1 1 94 94 LYS N N 97 121.289 121.289 119.770 1.519 17918 530 1 . 1 1 94 94 LYS HA H 97 4.408 4.408 4.445 -0.037 17918 531 1 . 1 1 94 94 LYS C C 97 178.629 178.629 176.598 2.031 17918 532 1 . 1 1 94 94 LYS CA C 97 56.294 56.294 54.469 1.825 17918 533 1 . 1 1 94 94 LYS CB C 97 33.395 33.395 34.362 -0.967 17918 534 1 . 1 1 94 94 LYS H H 97 8.274 8.274 8.363 -0.089 17918 535 1 . 1 1 95 95 ILE N N 98 122.343 122.343 123.168 -0.825 17918 536 1 . 1 1 95 95 ILE HA H 98 3.065 3.065 3.674 -0.609 17918 537 1 . 1 1 95 95 ILE C C 98 178.406 178.406 176.904 1.502 17918 538 1 . 1 1 95 95 ILE CA C 98 66.294 66.294 63.511 2.783 17918 539 1 . 1 1 95 95 ILE CB C 98 38.162 38.162 36.836 1.326 17918 540 1 . 1 1 95 95 ILE H H 98 8.396 8.396 8.528 -0.132 17918 541 1 . 1 1 96 96 GLY N N 99 118.074 118.074 116.217 1.857 17918 542 1 . 1 1 96 96 GLY C C 99 174.605 174.605 174.288 0.317 17918 543 1 . 1 1 96 96 GLY CA C 99 46.173 46.173 44.536 1.637 17918 544 1 . 1 1 96 96 GLY H H 99 8.988 8.988 8.809 0.179 17918 545 1 . 1 1 97 97 ASP N N 100 121.984 121.984 122.203 -0.219 17918 546 1 . 1 1 97 97 ASP HA H 100 4.795 4.795 4.869 -0.074 17918 547 1 . 1 1 97 97 ASP C C 100 175.344 175.344 175.213 0.131 17918 548 1 . 1 1 97 97 ASP CA C 100 55.037 55.037 54.311 0.726 17918 549 1 . 1 1 97 97 ASP CB C 100 43.953 43.953 42.611 1.342 17918 550 1 . 1 1 97 97 ASP H H 100 7.978 7.978 8.476 -0.498 17918 551 1 . 1 1 98 98 ILE N N 101 117.483 117.483 120.077 -2.594 17918 552 1 . 1 1 98 98 ILE HA H 101 5.160 5.160 4.622 0.538 17918 553 1 . 1 1 98 98 ILE C C 101 178.147 178.147 175.853 2.294 17918 554 1 . 1 1 98 98 ILE CA C 101 60.336 60.336 60.063 0.273 17918 555 1 . 1 1 98 98 ILE CB C 101 41.293 41.293 40.960 0.333 17918 556 1 . 1 1 98 98 ILE H H 101 8.048 8.048 8.257 -0.209 17918 557 1 . 1 1 99 99 SER N N 102 126.778 126.778 124.478 2.300 17918 558 1 . 1 1 99 99 SER HA H 102 4.526 4.526 4.905 -0.379 17918 559 1 . 1 1 99 99 SER C C 102 172.735 172.735 173.271 -0.536 17918 560 1 . 1 1 99 99 SER CA C 102 59.441 59.441 56.500 2.941 17918 561 1 . 1 1 99 99 SER CB C 102 64.572 64.572 63.317 1.255 17918 562 1 . 1 1 99 99 SER H H 102 9.722 9.722 9.048 0.674 17918 563 1 . 1 1 100 100 PRO HA H 103 4.819 4.819 4.536 0.283 17918 564 1 . 1 1 100 100 PRO C C 103 176.647 176.647 176.841 -0.194 17918 565 1 . 1 1 100 100 PRO CA C 103 63.128 63.128 62.506 0.622 17918 566 1 . 1 1 100 100 PRO CB C 103 33.439 33.439 32.445 0.994 17918 567 1 . 1 1 101 101 ILE N N 104 120.048 120.048 119.029 1.019 17918 568 1 . 1 1 101 101 ILE HA H 104 4.307 4.307 4.224 0.083 17918 569 1 . 1 1 101 101 ILE C C 104 178.021 178.021 176.368 1.653 17918 570 1 . 1 1 101 101 ILE CA C 104 65.141 65.141 61.793 3.348 17918 571 1 . 1 1 101 101 ILE CB C 104 38.970 38.970 37.740 1.230 17918 572 1 . 1 1 101 101 ILE H H 104 8.199 8.199 8.243 -0.044 17918 573 1 . 1 1 102 102 VAL N N 105 130.676 130.676 128.589 2.087 17918 574 1 . 1 1 102 102 VAL HA H 105 4.357 4.357 4.401 -0.044 17918 575 1 . 1 1 102 102 VAL C C 105 175.118 175.118 174.755 0.363 17918 576 1 . 1 1 102 102 VAL CA C 105 61.807 61.807 61.099 0.708 17918 577 1 . 1 1 102 102 VAL CB C 105 37.383 37.383 33.814 3.569 17918 578 1 . 1 1 102 102 VAL H H 105 9.285 9.285 8.984 0.301 17918 579 1 . 1 1 103 103 GLN N N 106 128.464 128.464 127.532 0.932 17918 580 1 . 1 1 103 103 GLN HA H 106 5.449 5.449 4.727 0.722 17918 581 1 . 1 1 103 103 GLN C C 106 176.704 176.704 175.872 0.832 17918 582 1 . 1 1 103 103 GLN CA C 106 56.060 56.060 56.800 -0.739 17918 583 1 . 1 1 103 103 GLN CB C 106 31.032 31.032 29.185 1.847 17918 584 1 . 1 1 103 103 GLN H H 106 8.900 8.900 8.875 0.025 17918 585 1 . 1 1 104 104 THR N N 107 116.680 116.680 119.089 -2.409 17918 586 1 . 1 1 104 104 THR HA H 107 4.978 4.978 4.697 0.281 17918 587 1 . 1 1 104 104 THR C C 107 177.189 177.189 174.448 2.741 17918 588 1 . 1 1 104 104 THR CA C 107 61.836 61.836 59.870 1.966 17918 589 1 . 1 1 104 104 THR CB C 107 73.663 73.663 70.496 3.167 17918 590 1 . 1 1 104 104 THR H H 107 9.275 9.275 8.943 0.332 17918 591 1 . 1 1 105 105 ASP N N 108 119.651 119.651 120.537 -0.886 17918 592 1 . 1 1 105 105 ASP HA H 108 4.578 4.578 4.417 0.161 17918 593 1 . 1 1 105 105 ASP C C 108 179.034 179.034 177.074 1.960 17918 594 1 . 1 1 105 105 ASP CA C 108 57.955 57.955 57.190 0.765 17918 595 1 . 1 1 105 105 ASP CB C 108 42.016 42.016 40.649 1.367 17918 596 1 . 1 1 105 105 ASP H H 108 8.945 8.945 8.770 0.175 17918 597 1 . 1 1 106 106 SER N N 109 114.257 114.257 113.987 0.270 17918 598 1 . 1 1 106 106 SER HA H 109 4.642 4.642 4.337 0.305 17918 599 1 . 1 1 106 106 SER C C 109 177.224 177.224 174.283 2.941 17918 600 1 . 1 1 106 106 SER CA C 109 62.788 62.788 59.961 2.827 17918 601 1 . 1 1 106 106 SER CB C 109 64.767 64.767 63.650 1.117 17918 602 1 . 1 1 106 106 SER H H 109 8.968 8.968 8.377 0.591 17918 603 1 . 1 1 107 107 GLY N N 110 111.288 111.288 106.929 4.359 17918 604 1 . 1 1 107 107 GLY C C 110 169.468 169.468 172.255 -2.787 17918 605 1 . 1 1 107 107 GLY CA C 110 46.698 46.698 45.184 1.514 17918 606 1 . 1 1 107 107 GLY H H 110 7.829 7.829 7.700 0.129 17918 607 1 . 1 1 108 108 LEU N N 111 122.506 122.506 121.659 0.847 17918 608 1 . 1 1 108 108 LEU HA H 111 5.371 5.371 5.059 0.312 17918 609 1 . 1 1 108 108 LEU C C 111 175.948 175.948 175.537 0.411 17918 610 1 . 1 1 108 108 LEU CA C 111 54.276 54.276 54.078 0.199 17918 611 1 . 1 1 108 108 LEU CB C 111 45.775 45.775 44.893 0.882 17918 612 1 . 1 1 108 108 LEU H H 111 8.143 8.143 8.619 -0.476 17918 613 1 . 1 1 109 109 HIS N N 112 119.518 119.518 122.478 -2.960 17918 614 1 . 1 1 109 109 HIS HA H 112 6.095 6.095 5.841 0.254 17918 615 1 . 1 1 109 109 HIS C C 112 179.186 179.186 174.767 4.419 17918 616 1 . 1 1 109 109 HIS CA C 112 55.380 55.380 54.763 0.617 17918 617 1 . 1 1 109 109 HIS CB C 112 33.838 33.838 33.541 0.297 17918 618 1 . 1 1 109 109 HIS H H 112 9.764 9.764 9.120 0.644 17918 619 1 . 1 1 110 110 ILE N N 113 113.128 113.128 119.397 -6.269 17918 620 1 . 1 1 110 110 ILE HA H 113 4.459 4.459 4.916 -0.457 17918 621 1 . 1 1 110 110 ILE C C 113 176.666 176.666 174.188 2.478 17918 622 1 . 1 1 110 110 ILE CA C 113 64.437 64.437 59.996 4.441 17918 623 1 . 1 1 110 110 ILE CB C 113 42.736 42.736 40.526 2.210 17918 624 1 . 1 1 110 110 ILE H H 113 8.117 8.117 8.453 -0.336 17918 625 1 . 1 1 111 111 ILE N N 114 125.121 125.121 122.853 2.268 17918 626 1 . 1 1 111 111 ILE HA H 114 4.770 4.770 5.229 -0.459 17918 627 1 . 1 1 111 111 ILE C C 114 173.792 173.792 174.530 -0.738 17918 628 1 . 1 1 111 111 ILE CA C 114 61.984 61.984 59.795 2.189 17918 629 1 . 1 1 111 111 ILE CB C 114 43.683 43.683 42.083 1.600 17918 630 1 . 1 1 111 111 ILE H H 114 8.604 8.604 8.859 -0.255 17918 631 1 . 1 1 112 112 LYS N N 115 127.966 127.966 123.222 4.744 17918 632 1 . 1 1 112 112 LYS HA H 115 5.173 5.173 5.403 -0.230 17918 633 1 . 1 1 112 112 LYS C C 115 177.267 177.267 175.002 2.265 17918 634 1 . 1 1 112 112 LYS CA C 115 54.375 54.375 54.148 0.227 17918 635 1 . 1 1 112 112 LYS CB C 115 36.513 36.513 36.522 -0.009 17918 636 1 . 1 1 112 112 LYS H H 115 9.075 9.075 9.132 -0.057 17918 637 1 . 1 1 113 113 ARG N N 116 126.762 126.762 123.711 3.051 17918 638 1 . 1 1 113 113 ARG HA H 116 4.335 4.335 4.245 0.090 17918 639 1 . 1 1 113 113 ARG C C 116 176.109 176.109 176.005 0.104 17918 640 1 . 1 1 113 113 ARG CA C 116 58.823 58.823 57.024 1.799 17918 641 1 . 1 1 113 113 ARG CB C 116 31.857 31.857 31.183 0.674 17918 642 1 . 1 1 113 113 ARG H H 116 7.830 7.830 8.555 -0.725 17918 643 1 . 1 1 114 114 LEU N N 117 128.545 128.545 127.504 1.041 17918 644 1 . 1 1 114 114 LEU HA H 117 4.623 4.623 4.627 -0.004 17918 645 1 . 1 1 114 114 LEU C C 117 176.857 176.857 175.728 1.129 17918 646 1 . 1 1 114 114 LEU CA C 117 55.992 55.992 54.799 1.193 17918 647 1 . 1 1 114 114 LEU CB C 117 45.139 45.139 43.623 1.516 17918 648 1 . 1 1 114 114 LEU H H 117 8.534 8.534 8.944 -0.410 17918 stop_ save_