data_18221 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18221 _Entry.PDB_ID 2LOQ 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 18221 _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 11 11 GLY N N 2 109.366 109.366 111.037 -1.671 18221 2 1 1 . 1 1 11 11 GLY C C 2 174.543 174.543 173.600 0.943 18221 3 1 1 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.334 1.361 18221 4 1 1 . 1 1 11 11 GLY H H 2 8.271 8.271 8.481 -0.210 18221 5 1 1 . 1 1 12 12 LYS N N 3 121.129 121.129 122.161 -1.032 18221 6 1 1 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.407 -0.275 18221 7 1 1 . 1 1 12 12 LYS C C 3 177.234 177.234 175.865 1.369 18221 8 1 1 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.266 0.546 18221 9 1 1 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.650 -0.804 18221 10 1 1 . 1 1 12 12 LYS H H 3 8.057 8.057 8.378 -0.321 18221 11 1 1 . 1 1 13 13 GLU N N 4 120.318 120.318 121.031 -0.713 18221 12 1 1 . 1 1 13 13 GLU HA H 4 4.155 4.155 3.923 0.232 18221 13 1 1 . 1 1 13 13 GLU C C 4 176.857 176.857 175.092 1.765 18221 14 1 1 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.016 -0.145 18221 15 1 1 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.307 -0.919 18221 16 1 1 . 1 1 13 13 GLU H H 4 8.398 8.398 8.640 -0.242 18221 17 1 1 . 1 1 14 14 SER N N 5 115.504 115.504 117.455 -1.951 18221 18 1 1 . 1 1 14 14 SER HA H 5 3.843 3.843 4.572 -0.729 18221 19 1 1 . 1 1 14 14 SER C C 5 175.337 175.337 175.555 -0.218 18221 20 1 1 . 1 1 14 14 SER CA C 5 58.524 58.524 57.625 0.899 18221 21 1 1 . 1 1 14 14 SER CB C 5 63.360 63.360 63.480 -0.120 18221 22 1 1 . 1 1 14 14 SER H H 5 8.089 8.089 8.181 -0.092 18221 23 1 1 . 1 1 15 15 GLY N N 6 110.761 110.761 114.854 -4.093 18221 24 1 1 . 1 1 15 15 GLY C C 6 174.581 174.581 174.624 -0.043 18221 25 1 1 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.468 0.098 18221 26 1 1 . 1 1 15 15 GLY H H 6 8.197 8.197 8.782 -0.585 18221 27 1 1 . 1 1 16 16 TRP N N 7 121.800 121.800 120.936 0.864 18221 28 1 1 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.324 0.236 18221 29 1 1 . 1 1 16 16 TRP C C 7 176.920 176.920 175.481 1.439 18221 30 1 1 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.017 1.064 18221 31 1 1 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.731 -1.052 18221 32 1 1 . 1 1 16 16 TRP H H 7 8.184 8.184 7.900 0.284 18221 33 1 1 . 1 1 17 17 ASP N N 8 121.132 121.132 121.284 -0.152 18221 34 1 1 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.507 -0.112 18221 35 1 1 . 1 1 17 17 ASP C C 8 176.941 176.941 176.118 0.823 18221 36 1 1 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.668 1.576 18221 37 1 1 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.209 -1.264 18221 38 1 1 . 1 1 17 17 ASP H H 8 8.332 8.332 8.226 0.106 18221 39 1 1 . 1 1 18 18 SER N N 9 116.148 116.148 117.453 -1.305 18221 40 1 1 . 1 1 18 18 SER HA H 9 3.861 3.861 4.693 -0.832 18221 41 1 1 . 1 1 18 18 SER CA C 9 60.081 60.081 57.783 2.298 18221 42 1 1 . 1 1 18 18 SER CB C 9 62.255 62.255 65.093 -2.838 18221 43 1 1 . 1 1 18 18 SER H H 9 8.129 8.129 8.242 -0.113 18221 44 1 1 . 1 1 19 19 GLY N N 10 110.747 110.747 110.682 0.065 18221 45 1 1 . 1 1 19 19 GLY C C 10 174.682 174.682 175.768 -1.086 18221 46 1 1 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.501 1.099 18221 47 1 1 . 1 1 19 19 GLY H H 10 8.216 8.216 8.337 -0.121 18221 48 1 1 . 1 1 20 20 ARG N N 11 121.405 121.405 121.213 0.192 18221 49 1 1 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.229 -0.372 18221 50 1 1 . 1 1 20 20 ARG C C 11 178.328 178.328 178.512 -0.184 18221 51 1 1 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.434 0.651 18221 52 1 1 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.263 -1.216 18221 53 1 1 . 1 1 20 20 ARG H H 11 8.158 8.158 8.554 -0.396 18221 54 1 1 . 1 1 21 21 ALA N N 12 122.167 122.167 122.482 -0.315 18221 55 1 1 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.083 0.017 18221 56 1 1 . 1 1 21 21 ALA C C 12 180.129 180.129 179.355 0.774 18221 57 1 1 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.552 -0.160 18221 58 1 1 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.019 -0.605 18221 59 1 1 . 1 1 21 21 ALA H H 12 7.963 7.963 8.419 -0.456 18221 60 1 1 . 1 1 22 22 ALA N N 13 122.150 122.150 121.773 0.377 18221 61 1 1 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.886 0.151 18221 62 1 1 . 1 1 22 22 ALA C C 13 179.095 179.095 179.753 -0.658 18221 63 1 1 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.108 -0.392 18221 64 1 1 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.285 -0.724 18221 65 1 1 . 1 1 22 22 ALA H H 13 7.881 7.881 8.190 -0.309 18221 66 1 1 . 1 1 23 23 VAL N N 14 117.107 117.107 118.749 -1.642 18221 67 1 1 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.579 -0.099 18221 68 1 1 . 1 1 23 23 VAL C C 14 177.586 177.586 178.224 -0.638 18221 69 1 1 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.312 0.886 18221 70 1 1 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.613 -0.093 18221 71 1 1 . 1 1 23 23 VAL H H 14 7.888 7.888 8.180 -0.292 18221 72 1 1 . 1 1 24 24 ALA N N 15 121.333 121.333 121.773 -0.440 18221 73 1 1 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.954 0.027 18221 74 1 1 . 1 1 24 24 ALA C C 15 180.373 180.373 179.374 0.999 18221 75 1 1 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.205 -0.194 18221 76 1 1 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.796 -0.544 18221 77 1 1 . 1 1 24 24 ALA H H 15 8.037 8.037 7.563 0.474 18221 78 1 1 . 1 1 25 25 ALA N N 16 121.158 121.158 119.547 1.611 18221 79 1 1 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.084 0.062 18221 80 1 1 . 1 1 25 25 ALA C C 16 179.828 179.828 178.875 0.953 18221 81 1 1 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.701 -0.250 18221 82 1 1 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.382 -0.895 18221 83 1 1 . 1 1 25 25 ALA H H 16 7.819 7.819 7.861 -0.042 18221 84 1 1 . 1 1 26 26 VAL N N 17 118.417 118.417 116.237 2.180 18221 85 1 1 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.871 -0.093 18221 86 1 1 . 1 1 26 26 VAL C C 17 178.020 178.020 177.366 0.654 18221 87 1 1 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.650 1.929 18221 88 1 1 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.552 -0.467 18221 89 1 1 . 1 1 26 26 VAL H H 17 7.848 7.848 7.224 0.624 18221 90 1 1 . 1 1 27 27 VAL N N 18 119.240 119.240 119.807 -0.567 18221 91 1 1 . 1 1 27 27 VAL C C 18 177.719 177.719 176.813 0.906 18221 92 1 1 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.741 2.250 18221 93 1 1 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.764 -1.577 18221 94 1 1 . 1 1 27 27 VAL H H 18 8.377 8.377 7.679 0.698 18221 95 1 1 . 1 1 28 28 GLY N N 19 106.009 106.009 106.825 -0.816 18221 96 1 1 . 1 1 28 28 GLY C C 19 176.212 176.212 174.594 1.618 18221 97 1 1 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.890 -0.646 18221 98 1 1 . 1 1 28 28 GLY H H 19 8.122 8.122 7.679 0.443 18221 99 1 1 . 1 1 29 29 GLY N N 20 110.216 110.216 112.619 -2.403 18221 100 1 1 . 1 1 29 29 GLY C C 20 174.097 174.097 175.300 -1.203 18221 101 1 1 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.614 1.720 18221 102 1 1 . 1 1 29 29 GLY H H 20 8.039 8.039 8.088 -0.049 18221 103 1 1 . 1 1 30 30 VAL N N 21 121.188 121.188 118.960 2.228 18221 104 1 1 . 1 1 30 30 VAL C C 21 177.073 177.073 177.118 -0.045 18221 105 1 1 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.543 -2.969 18221 106 1 1 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.159 -0.369 18221 107 1 1 . 1 1 30 30 VAL H H 21 7.983 7.983 7.773 0.210 18221 108 1 1 . 1 1 32 32 ALA N N 23 125.091 125.091 121.186 3.905 18221 109 1 1 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.052 0.208 18221 110 1 1 . 1 1 32 32 ALA C C 23 179.523 179.523 180.251 -0.728 18221 111 1 1 . 1 1 32 32 ALA CA C 23 53.683 53.683 54.956 -1.272 18221 112 1 1 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.163 -1.780 18221 113 1 1 . 1 1 32 32 ALA H H 23 8.036 8.036 8.109 -0.073 18221 114 1 1 . 1 1 33 33 VAL N N 24 118.793 118.793 117.390 1.403 18221 115 1 1 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.636 0.072 18221 116 1 1 . 1 1 33 33 VAL C C 24 177.901 177.901 178.191 -0.290 18221 117 1 1 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.408 -0.978 18221 118 1 1 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.107 0.211 18221 119 1 1 . 1 1 33 33 VAL H H 24 8.195 8.195 8.235 -0.040 18221 120 1 1 . 1 1 34 34 GLY N N 25 108.367 108.367 108.361 0.006 18221 121 1 1 . 1 1 34 34 GLY C C 25 175.424 175.424 175.589 -0.165 18221 122 1 1 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.571 -0.237 18221 123 1 1 . 1 1 34 34 GLY H H 25 8.651 8.651 8.382 0.269 18221 124 1 1 . 1 1 35 35 THR N N 26 116.448 116.448 116.394 0.054 18221 125 1 1 . 1 1 35 35 THR C C 26 176.843 176.843 177.096 -0.253 18221 126 1 1 . 1 1 35 35 THR CA C 26 65.962 65.962 66.000 -0.038 18221 127 1 1 . 1 1 35 35 THR CB C 26 68.414 68.414 68.765 -0.351 18221 128 1 1 . 1 1 35 35 THR H H 26 7.975 7.975 8.167 -0.192 18221 129 1 1 . 1 1 36 36 VAL N N 27 122.810 122.810 122.646 0.164 18221 130 1 1 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.606 0.113 18221 131 1 1 . 1 1 36 36 VAL C C 27 177.618 177.618 177.828 -0.210 18221 132 1 1 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.557 -0.831 18221 133 1 1 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.677 -1.010 18221 134 1 1 . 1 1 36 36 VAL H H 27 7.559 7.559 8.010 -0.451 18221 135 1 1 . 1 1 37 37 LEU N N 28 119.566 119.566 120.530 -0.964 18221 136 1 1 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.935 0.018 18221 137 1 1 . 1 1 37 37 LEU C C 28 179.666 179.666 178.416 1.250 18221 138 1 1 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.612 -0.767 18221 139 1 1 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.856 -1.690 18221 140 1 1 . 1 1 37 37 LEU H H 28 8.086 8.086 7.761 0.325 18221 141 1 1 . 1 1 38 38 VAL N N 29 119.468 119.468 118.326 1.142 18221 142 1 1 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.485 0.168 18221 143 1 1 . 1 1 38 38 VAL C C 29 178.639 178.639 177.860 0.779 18221 144 1 1 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.797 -0.324 18221 145 1 1 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.637 -1.028 18221 146 1 1 . 1 1 38 38 VAL H H 29 8.066 8.066 8.240 -0.174 18221 147 1 1 . 1 1 39 39 ALA N N 30 124.255 124.255 122.448 1.807 18221 148 1 1 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.010 0.155 18221 149 1 1 . 1 1 39 39 ALA C C 30 180.303 180.303 179.193 1.110 18221 150 1 1 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.977 -0.143 18221 151 1 1 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.501 -0.793 18221 152 1 1 . 1 1 39 39 ALA H H 30 7.688 7.688 7.866 -0.178 18221 153 1 1 . 1 1 40 40 LEU N N 31 118.268 118.268 118.994 -0.726 18221 154 1 1 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.898 0.243 18221 155 1 1 . 1 1 40 40 LEU C C 31 179.271 179.271 179.352 -0.081 18221 156 1 1 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.385 -1.307 18221 157 1 1 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.916 -1.014 18221 158 1 1 . 1 1 40 40 LEU H H 31 8.326 8.326 8.348 -0.022 18221 159 1 1 . 1 1 41 41 SER N N 32 114.984 114.984 113.895 1.089 18221 160 1 1 . 1 1 41 41 SER HA H 32 3.952 3.952 4.108 -0.156 18221 161 1 1 . 1 1 41 41 SER C C 32 176.284 176.284 175.512 0.772 18221 162 1 1 . 1 1 41 41 SER CA C 32 60.885 60.885 61.154 -0.269 18221 163 1 1 . 1 1 41 41 SER CB C 32 62.410 62.410 62.900 -0.490 18221 164 1 1 . 1 1 41 41 SER H H 32 8.062 8.062 8.134 -0.072 18221 165 1 1 . 1 1 42 42 ALA N N 33 124.588 124.588 123.899 0.689 18221 166 1 1 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.512 -0.287 18221 167 1 1 . 1 1 42 42 ALA C C 33 179.033 179.033 177.173 1.860 18221 168 1 1 . 1 1 42 42 ALA CA C 33 53.713 53.713 50.912 2.801 18221 169 1 1 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.362 0.567 18221 170 1 1 . 1 1 42 42 ALA H H 33 7.813 7.813 7.764 0.049 18221 171 1 1 . 1 1 43 43 MET N N 34 116.808 116.808 117.892 -1.084 18221 172 1 1 . 1 1 43 43 MET HA H 34 4.285 4.285 4.682 -0.397 18221 173 1 1 . 1 1 43 43 MET C C 34 176.807 176.807 176.337 0.470 18221 174 1 1 . 1 1 43 43 MET CA C 34 56.576 56.576 56.646 -0.070 18221 175 1 1 . 1 1 43 43 MET CB C 34 32.435 32.435 32.368 0.067 18221 176 1 1 . 1 1 43 43 MET H H 34 7.691 7.691 7.697 -0.006 18221 177 1 1 . 1 1 44 44 GLY N N 35 107.020 107.020 108.355 -1.335 18221 178 1 1 . 1 1 44 44 GLY C C 35 174.493 174.493 173.044 1.449 18221 179 1 1 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.860 0.205 18221 180 1 1 . 1 1 44 44 GLY H H 35 7.793 7.793 7.761 0.032 18221 181 1 1 . 1 1 45 45 PHE N N 36 120.285 120.285 118.106 2.179 18221 182 1 1 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.694 -0.187 18221 183 1 1 . 1 1 45 45 PHE C C 36 176.876 176.876 174.401 2.475 18221 184 1 1 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.427 1.510 18221 185 1 1 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.810 -1.632 18221 186 1 1 . 1 1 45 45 PHE H H 36 8.215 8.215 8.241 -0.026 18221 187 1 1 . 1 1 46 46 THR N N 37 114.008 114.008 116.491 -2.483 18221 188 1 1 . 1 1 46 46 THR HA H 37 4.080 4.080 4.263 -0.183 18221 189 1 1 . 1 1 46 46 THR C C 37 175.751 175.751 173.792 1.959 18221 190 1 1 . 1 1 46 46 THR CA C 37 64.220 64.220 60.887 3.333 18221 191 1 1 . 1 1 46 46 THR CB C 37 68.514 68.514 68.849 -0.335 18221 192 1 1 . 1 1 46 46 THR H H 37 8.111 8.111 7.354 0.757 18221 193 1 1 . 1 1 47 47 SER N N 38 116.646 116.646 122.799 -6.153 18221 194 1 1 . 1 1 47 47 SER HA H 38 3.918 3.918 4.378 -0.460 18221 195 1 1 . 1 1 47 47 SER C C 38 176.744 176.744 174.955 1.789 18221 196 1 1 . 1 1 47 47 SER CA C 38 59.911 59.911 59.121 0.790 18221 197 1 1 . 1 1 47 47 SER CB C 38 62.624 62.624 63.261 -0.637 18221 198 1 1 . 1 1 47 47 SER H H 38 8.079 8.079 8.597 -0.518 18221 199 1 1 . 1 1 48 48 VAL N N 39 121.929 121.929 124.092 -2.163 18221 200 1 1 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.677 0.232 18221 201 1 1 . 1 1 48 48 VAL C C 39 177.033 177.033 177.869 -0.836 18221 202 1 1 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.134 -1.146 18221 203 1 1 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.807 -1.140 18221 204 1 1 . 1 1 48 48 VAL H H 39 7.985 7.985 8.084 -0.099 18221 205 1 1 . 1 1 49 49 GLY N N 40 108.633 108.633 107.659 0.974 18221 206 1 1 . 1 1 49 49 GLY C C 40 176.038 176.038 176.534 -0.496 18221 207 1 1 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.424 -0.559 18221 208 1 1 . 1 1 49 49 GLY H H 40 8.267 8.267 8.452 -0.185 18221 209 1 1 . 1 1 50 50 ILE N N 41 122.466 122.466 122.401 0.065 18221 210 1 1 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.713 0.158 18221 211 1 1 . 1 1 50 50 ILE C C 41 178.363 178.363 177.891 0.472 18221 212 1 1 . 1 1 50 50 ILE CA C 41 63.515 63.515 62.930 0.585 18221 213 1 1 . 1 1 50 50 ILE CB C 41 37.238 37.238 36.709 0.529 18221 214 1 1 . 1 1 50 50 ILE H H 41 7.865 7.865 7.880 -0.015 18221 215 1 1 . 1 1 51 51 ALA N N 42 125.064 125.064 121.562 3.502 18221 216 1 1 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.967 0.132 18221 217 1 1 . 1 1 51 51 ALA C C 42 179.385 179.385 179.606 -0.221 18221 218 1 1 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.172 -0.692 18221 219 1 1 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.968 -0.481 18221 220 1 1 . 1 1 51 51 ALA H H 42 7.930 7.930 8.187 -0.257 18221 221 1 1 . 1 1 52 52 ALA N N 43 120.594 120.594 120.351 0.243 18221 222 1 1 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.083 -0.146 18221 223 1 1 . 1 1 52 52 ALA C C 43 179.088 179.088 179.666 -0.578 18221 224 1 1 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.716 0.384 18221 225 1 1 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.095 -0.460 18221 226 1 1 . 1 1 52 52 ALA H H 43 8.639 8.639 8.143 0.495 18221 227 1 1 . 1 1 53 53 SER N N 44 113.012 113.012 115.378 -2.366 18221 228 1 1 . 1 1 53 53 SER HA H 44 3.966 3.966 4.181 -0.215 18221 229 1 1 . 1 1 53 53 SER C C 44 176.898 176.898 176.652 0.246 18221 230 1 1 . 1 1 53 53 SER CA C 44 61.139 61.139 61.027 0.112 18221 231 1 1 . 1 1 53 53 SER CB C 44 62.347 62.347 62.875 -0.528 18221 232 1 1 . 1 1 53 53 SER H H 44 8.193 8.193 8.094 0.099 18221 233 1 1 . 1 1 54 54 SER N N 45 118.714 118.714 117.954 0.760 18221 234 1 1 . 1 1 54 54 SER HA H 45 3.975 3.975 4.080 -0.105 18221 235 1 1 . 1 1 54 54 SER C C 45 177.131 177.131 176.670 0.461 18221 236 1 1 . 1 1 54 54 SER CA C 45 61.210 61.210 61.547 -0.337 18221 237 1 1 . 1 1 54 54 SER CB C 45 62.255 62.255 62.884 -0.629 18221 238 1 1 . 1 1 54 54 SER H H 45 7.944 7.944 7.978 -0.034 18221 239 1 1 . 1 1 55 55 ILE N N 46 122.912 122.912 121.087 1.825 18221 240 1 1 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.686 0.071 18221 241 1 1 . 1 1 55 55 ILE C C 46 177.813 177.813 176.573 1.240 18221 242 1 1 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.536 -0.345 18221 243 1 1 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.956 -1.030 18221 244 1 1 . 1 1 55 55 ILE H H 46 8.028 8.028 7.956 0.072 18221 245 1 1 . 1 1 56 56 ALA N N 47 122.990 122.990 120.353 2.637 18221 246 1 1 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.045 -0.089 18221 247 1 1 . 1 1 56 56 ALA C C 47 180.294 180.294 178.852 1.442 18221 248 1 1 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.523 -0.185 18221 249 1 1 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.810 -1.108 18221 250 1 1 . 1 1 56 56 ALA H H 47 8.333 8.333 7.719 0.614 18221 251 1 1 . 1 1 57 57 ALA N N 48 121.988 121.988 121.782 0.206 18221 252 1 1 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.130 -0.062 18221 253 1 1 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.206 1.215 18221 254 1 1 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.473 -1.771 18221 255 1 1 . 1 1 57 57 ALA H H 48 7.879 7.879 7.692 0.187 18221 256 1 1 . 1 1 58 58 LYS N N 49 119.094 119.094 118.489 0.605 18221 257 1 1 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.976 0.170 18221 258 1 1 . 1 1 58 58 LYS C C 49 179.649 179.649 175.589 4.060 18221 259 1 1 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.804 0.353 18221 260 1 1 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.144 -0.814 18221 261 1 1 . 1 1 58 58 LYS H H 49 7.727 7.727 8.146 -0.419 18221 262 1 1 . 1 1 59 59 MET N N 50 120.498 120.498 121.134 -0.636 18221 263 1 1 . 1 1 59 59 MET HA H 50 4.156 4.156 4.176 -0.020 18221 264 1 1 . 1 1 59 59 MET C C 50 177.949 177.949 175.323 2.626 18221 265 1 1 . 1 1 59 59 MET CA C 50 57.136 57.136 56.599 0.537 18221 266 1 1 . 1 1 59 59 MET CB C 50 31.922 31.922 32.184 -0.262 18221 267 1 1 . 1 1 59 59 MET H H 50 8.395 8.395 8.619 -0.224 18221 268 1 1 . 1 1 60 60 MET N N 51 117.689 117.689 122.936 -5.247 18221 269 1 1 . 1 1 60 60 MET HA H 51 4.222 4.222 4.408 -0.186 18221 270 1 1 . 1 1 60 60 MET C C 51 177.674 177.674 175.661 2.013 18221 271 1 1 . 1 1 60 60 MET CA C 51 57.638 57.638 56.834 0.804 18221 272 1 1 . 1 1 60 60 MET CB C 51 31.785 31.785 33.423 -1.638 18221 273 1 1 . 1 1 60 60 MET H H 51 8.234 8.234 8.315 -0.081 18221 274 1 1 . 1 1 61 61 SER N N 52 114.385 114.385 112.904 1.481 18221 275 1 1 . 1 1 61 61 SER HA H 52 4.001 4.001 4.438 -0.437 18221 276 1 1 . 1 1 61 61 SER C C 52 176.079 176.079 173.814 2.265 18221 277 1 1 . 1 1 61 61 SER CA C 52 59.911 59.911 58.910 1.000 18221 278 1 1 . 1 1 61 61 SER CB C 52 62.624 62.624 63.762 -1.138 18221 279 1 1 . 1 1 61 61 SER H H 52 7.893 7.893 7.915 -0.022 18221 280 1 1 . 1 1 62 62 THR N N 53 117.304 117.304 117.348 -0.044 18221 281 1 1 . 1 1 62 62 THR HA H 53 4.104 4.104 4.115 -0.011 18221 282 1 1 . 1 1 62 62 THR C C 53 175.436 175.436 172.347 3.089 18221 283 1 1 . 1 1 62 62 THR CA C 53 64.220 64.220 62.716 1.504 18221 284 1 1 . 1 1 62 62 THR CB C 53 68.514 68.514 68.587 -0.073 18221 285 1 1 . 1 1 62 62 THR H H 53 7.794 7.794 8.032 -0.238 18221 286 1 1 . 1 1 63 63 ALA N N 54 125.382 125.382 120.618 4.764 18221 287 1 1 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.682 -0.588 18221 288 1 1 . 1 1 63 63 ALA C C 54 178.328 178.328 175.461 2.867 18221 289 1 1 . 1 1 63 63 ALA CA C 54 54.096 54.096 51.337 2.759 18221 290 1 1 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.935 -3.227 18221 291 1 1 . 1 1 63 63 ALA H H 54 8.204 8.204 7.690 0.514 18221 292 1 1 . 1 1 64 64 ALA N N 55 119.929 119.929 123.466 -3.537 18221 293 1 1 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.640 -0.515 18221 294 1 1 . 1 1 64 64 ALA C C 55 179.183 179.183 177.072 2.111 18221 295 1 1 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.077 2.960 18221 296 1 1 . 1 1 64 64 ALA CB C 55 17.708 17.708 21.015 -3.307 18221 297 1 1 . 1 1 64 64 ALA H H 55 7.951 7.951 8.108 -0.157 18221 298 1 1 . 1 1 65 65 ILE N N 56 117.016 117.016 122.625 -5.609 18221 299 1 1 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.079 -0.129 18221 300 1 1 . 1 1 65 65 ILE C C 56 177.222 177.222 175.516 1.706 18221 301 1 1 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.182 0.002 18221 302 1 1 . 1 1 65 65 ILE CB C 56 37.073 37.073 35.634 1.439 18221 303 1 1 . 1 1 65 65 ILE H H 56 7.561 7.561 8.854 -1.293 18221 304 1 1 . 1 1 66 66 ALA N N 57 124.191 124.191 129.469 -5.278 18221 305 1 1 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.294 -0.117 18221 306 1 1 . 1 1 66 66 ALA C C 57 178.190 178.190 177.802 0.388 18221 307 1 1 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.742 0.793 18221 308 1 1 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.757 -1.828 18221 309 1 1 . 1 1 66 66 ALA H H 57 7.982 7.982 8.240 -0.258 18221 310 1 1 . 1 1 67 67 ASN N N 58 116.132 116.132 118.277 -2.145 18221 311 1 1 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.799 -0.126 18221 312 1 1 . 1 1 67 67 ASN C C 58 176.344 176.344 176.569 -0.225 18221 313 1 1 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.898 -0.421 18221 314 1 1 . 1 1 67 67 ASN CB C 58 38.472 38.472 40.009 -1.537 18221 315 1 1 . 1 1 67 67 ASN H H 58 8.113 8.113 8.693 -0.580 18221 316 1 1 . 1 1 68 68 GLY N N 59 108.808 108.808 107.529 1.279 18221 317 1 1 . 1 1 68 68 GLY C C 59 174.958 174.958 173.237 1.721 18221 318 1 1 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.203 0.452 18221 319 1 1 . 1 1 68 68 GLY H H 59 8.152 8.152 7.935 0.217 18221 320 1 1 . 1 1 69 69 GLY N N 60 108.832 108.832 108.447 0.385 18221 321 1 1 . 1 1 69 69 GLY C C 60 174.631 174.631 174.183 0.448 18221 322 1 1 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.666 -0.247 18221 323 1 1 . 1 1 69 69 GLY H H 60 8.218 8.218 7.729 0.489 18221 324 1 1 . 1 1 70 70 GLY N N 61 108.966 108.966 109.861 -0.895 18221 325 1 1 . 1 1 70 70 GLY C C 61 174.594 174.594 174.501 0.093 18221 326 1 1 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.883 0.477 18221 327 1 1 . 1 1 70 70 GLY H H 61 8.175 8.175 8.449 -0.274 18221 328 1 1 . 1 1 71 71 VAL N N 62 120.209 120.209 118.008 2.201 18221 329 1 1 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.665 0.341 18221 330 1 1 . 1 1 71 71 VAL C C 62 176.077 176.077 175.037 1.040 18221 331 1 1 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.882 -0.492 18221 332 1 1 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.247 0.451 18221 333 1 1 . 1 1 71 71 VAL H H 62 7.882 7.882 8.127 -0.245 18221 334 1 1 . 1 1 72 72 ALA N N 63 126.966 126.966 126.782 0.184 18221 335 1 1 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.122 -0.096 18221 336 1 1 . 1 1 72 72 ALA C C 63 178.064 178.064 175.444 2.620 18221 337 1 1 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.369 0.134 18221 338 1 1 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.039 -0.814 18221 339 1 1 . 1 1 72 72 ALA H H 63 8.237 8.237 8.336 -0.099 18221 340 1 1 . 1 1 73 73 ALA N N 64 123.432 123.432 125.196 -1.764 18221 341 1 1 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.443 -0.428 18221 342 1 1 . 1 1 73 73 ALA C C 64 178.995 178.995 176.677 2.318 18221 343 1 1 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.174 2.247 18221 344 1 1 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.635 -2.632 18221 345 1 1 . 1 1 73 73 ALA H H 64 8.421 8.421 8.268 0.153 18221 346 1 1 . 1 1 74 74 GLY N N 65 105.577 105.577 111.547 -5.970 18221 347 1 1 . 1 1 74 74 GLY C C 65 176.367 176.367 174.493 1.874 18221 348 1 1 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.695 1.549 18221 349 1 1 . 1 1 74 74 GLY H H 65 8.448 8.448 7.734 0.714 18221 350 1 1 . 1 1 75 75 SER N N 66 117.656 117.656 116.553 1.103 18221 351 1 1 . 1 1 75 75 SER HA H 66 4.394 4.394 4.203 0.191 18221 352 1 1 . 1 1 75 75 SER C C 66 176.329 176.329 176.113 0.216 18221 353 1 1 . 1 1 75 75 SER CA C 66 60.236 60.236 61.011 -0.775 18221 354 1 1 . 1 1 75 75 SER CB C 66 62.476 62.476 62.958 -0.482 18221 355 1 1 . 1 1 75 75 SER H H 66 7.899 7.899 8.711 -0.812 18221 356 1 1 . 1 1 76 76 LEU N N 67 122.743 122.743 118.344 4.399 18221 357 1 1 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.025 0.025 18221 358 1 1 . 1 1 76 76 LEU C C 67 178.442 178.442 178.314 0.128 18221 359 1 1 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.344 0.176 18221 360 1 1 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.797 -0.116 18221 361 1 1 . 1 1 76 76 LEU H H 67 7.955 7.955 7.716 0.239 18221 362 1 1 . 1 1 77 77 VAL N N 68 118.400 118.400 118.297 0.103 18221 363 1 1 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.579 -0.108 18221 364 1 1 . 1 1 77 77 VAL C C 68 177.297 177.297 177.695 -0.398 18221 365 1 1 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.101 1.569 18221 366 1 1 . 1 1 77 77 VAL CB C 68 30.520 30.520 29.988 0.532 18221 367 1 1 . 1 1 77 77 VAL H H 68 8.039 8.039 8.227 -0.188 18221 368 1 1 . 1 1 78 78 ALA N N 69 121.927 121.927 122.002 -0.075 18221 369 1 1 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.033 0.172 18221 370 1 1 . 1 1 78 78 ALA C C 69 181.258 181.258 179.741 1.517 18221 371 1 1 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.179 -0.197 18221 372 1 1 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.125 -0.711 18221 373 1 1 . 1 1 78 78 ALA H H 69 7.631 7.631 8.126 -0.495 18221 374 1 1 . 1 1 79 79 ILE N N 70 119.782 119.782 119.019 0.763 18221 375 1 1 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.917 -0.121 18221 376 1 1 . 1 1 79 79 ILE C C 70 178.253 178.253 178.100 0.153 18221 377 1 1 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.364 0.988 18221 378 1 1 . 1 1 79 79 ILE CB C 70 37.073 37.073 36.752 0.321 18221 379 1 1 . 1 1 79 79 ILE H H 70 7.841 7.841 7.374 0.467 18221 380 1 1 . 1 1 80 80 LEU N N 71 120.841 120.841 122.220 -1.379 18221 381 1 1 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.916 0.021 18221 382 1 1 . 1 1 80 80 LEU C C 71 179.234 179.234 178.894 0.340 18221 383 1 1 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.309 -0.463 18221 384 1 1 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.957 -0.938 18221 385 1 1 . 1 1 80 80 LEU H H 71 8.190 8.190 8.267 -0.077 18221 386 1 1 . 1 1 81 81 GLN N N 72 117.558 117.558 117.852 -0.294 18221 387 1 1 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.944 0.025 18221 388 1 1 . 1 1 81 81 GLN C C 72 178.530 178.530 178.603 -0.073 18221 389 1 1 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.378 -0.559 18221 390 1 1 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.676 -1.396 18221 391 1 1 . 1 1 81 81 GLN H H 72 8.489 8.489 8.303 0.186 18221 392 1 1 . 1 1 82 82 SER N N 73 116.103 116.103 115.222 0.881 18221 393 1 1 . 1 1 82 82 SER HA H 73 4.233 4.233 4.194 0.039 18221 394 1 1 . 1 1 82 82 SER C C 73 177.243 177.243 176.588 0.655 18221 395 1 1 . 1 1 82 82 SER CA C 73 61.044 61.044 61.480 -0.436 18221 396 1 1 . 1 1 82 82 SER CB C 73 62.257 62.257 63.007 -0.750 18221 397 1 1 . 1 1 82 82 SER H H 73 7.855 7.855 8.079 -0.224 18221 398 1 1 . 1 1 83 83 VAL N N 74 120.362 120.362 121.800 -1.438 18221 399 1 1 . 1 1 83 83 VAL C C 74 177.979 177.979 177.241 0.738 18221 400 1 1 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.237 -1.131 18221 401 1 1 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.757 -1.016 18221 402 1 1 . 1 1 83 83 VAL H H 74 8.030 8.030 7.961 0.069 18221 403 1 1 . 1 1 84 84 GLY N N 75 108.223 108.223 106.355 1.868 18221 404 1 1 . 1 1 84 84 GLY C C 75 174.913 174.913 175.490 -0.577 18221 405 1 1 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.047 -0.270 18221 406 1 1 . 1 1 84 84 GLY H H 75 8.369 8.369 7.833 0.536 18221 407 1 1 . 1 1 85 85 ALA N N 76 123.550 123.550 124.495 -0.945 18221 408 1 1 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.103 -0.009 18221 409 1 1 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.911 -0.313 18221 410 1 1 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.304 -0.681 18221 411 1 1 . 1 1 85 85 ALA H H 76 8.115 8.115 8.104 0.011 18221 412 1 1 . 1 1 86 86 ALA N N 77 120.410 120.410 120.948 -0.538 18221 413 1 1 . 1 1 86 86 ALA C C 77 178.988 178.988 179.594 -0.606 18221 414 1 1 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.347 -0.511 18221 415 1 1 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.920 -0.410 18221 416 1 1 . 1 1 86 86 ALA H H 77 8.632 8.632 8.350 0.282 18221 417 1 1 . 1 1 87 87 GLY N N 78 105.706 105.706 107.308 -1.602 18221 418 1 1 . 1 1 87 87 GLY C C 78 175.939 175.939 176.029 -0.090 18221 419 1 1 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.009 -0.891 18221 420 1 1 . 1 1 87 87 GLY H H 78 8.196 8.196 7.798 0.398 18221 421 1 1 . 1 1 88 88 LEU N N 79 124.128 124.128 121.892 2.236 18221 422 1 1 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.841 -0.439 18221 423 1 1 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.868 -1.481 18221 424 1 1 . 1 1 88 88 LEU H H 79 8.449 8.449 8.086 0.363 18221 425 1 1 . 1 1 89 89 SER N N 80 116.251 116.251 114.897 1.354 18221 426 1 1 . 1 1 89 89 SER C C 80 179.153 179.153 176.602 2.551 18221 427 1 1 . 1 1 89 89 SER CA C 80 61.023 61.023 62.044 -1.021 18221 428 1 1 . 1 1 89 89 SER CB C 80 62.255 62.255 62.725 -0.470 18221 429 1 1 . 1 1 89 89 SER H H 80 8.120 8.120 8.186 -0.066 18221 430 1 1 . 1 1 90 90 VAL N N 81 119.310 119.310 121.727 -2.417 18221 431 1 1 . 1 1 90 90 VAL C C 81 177.652 177.652 177.942 -0.290 18221 432 1 1 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.398 -1.323 18221 433 1 1 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.604 -0.274 18221 434 1 1 . 1 1 90 90 VAL H H 81 7.955 7.955 8.194 -0.239 18221 435 1 1 . 1 1 91 91 THR N N 82 115.535 115.535 116.489 -0.954 18221 436 1 1 . 1 1 91 91 THR C C 82 176.571 176.571 176.781 -0.210 18221 437 1 1 . 1 1 91 91 THR CA C 82 66.434 66.434 67.213 -0.779 18221 438 1 1 . 1 1 91 91 THR CB C 82 67.742 67.742 68.703 -0.961 18221 439 1 1 . 1 1 91 91 THR H H 82 7.888 7.888 8.458 -0.570 18221 440 1 1 . 1 1 92 92 SER N N 83 116.537 116.537 117.966 -1.429 18221 441 1 1 . 1 1 92 92 SER HA H 83 4.040 4.040 4.007 0.033 18221 442 1 1 . 1 1 92 92 SER C C 83 176.761 176.761 176.597 0.164 18221 443 1 1 . 1 1 92 92 SER CA C 83 61.564 61.564 62.066 -0.502 18221 444 1 1 . 1 1 92 92 SER CB C 83 62.009 62.009 63.080 -1.071 18221 445 1 1 . 1 1 92 92 SER H H 83 8.212 8.212 8.034 0.178 18221 446 1 1 . 1 1 93 93 LYS N N 84 122.353 122.353 121.093 1.260 18221 447 1 1 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.038 0.081 18221 448 1 1 . 1 1 93 93 LYS C C 84 172.812 172.812 178.378 -5.566 18221 449 1 1 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.566 -1.131 18221 450 1 1 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.414 -0.937 18221 451 1 1 . 1 1 93 93 LYS H H 84 7.642 7.642 8.270 -0.628 18221 452 1 1 . 1 1 94 94 VAL N N 85 119.348 119.348 117.847 1.501 18221 453 1 1 . 1 1 94 94 VAL C C 85 177.948 177.948 177.286 0.662 18221 454 1 1 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.604 0.785 18221 455 1 1 . 1 1 94 94 VAL CB C 85 31.846 31.846 32.193 -0.347 18221 456 1 1 . 1 1 94 94 VAL H H 85 8.414 8.414 7.576 0.838 18221 457 1 1 . 1 1 95 95 ILE N N 86 118.769 118.769 117.388 1.381 18221 458 1 1 . 1 1 95 95 ILE C C 86 177.972 177.972 177.576 0.396 18221 459 1 1 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.908 -0.071 18221 460 1 1 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.187 -1.555 18221 461 1 1 . 1 1 95 95 ILE H H 86 8.169 8.169 7.755 0.414 18221 462 1 1 . 1 1 96 96 GLY N N 87 107.955 107.955 105.647 2.308 18221 463 1 1 . 1 1 96 96 GLY C C 87 176.571 176.571 173.808 2.763 18221 464 1 1 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.702 1.809 18221 465 1 1 . 1 1 96 96 GLY H H 87 8.182 8.182 8.535 -0.353 18221 466 1 1 . 1 1 97 97 GLY N N 88 109.117 109.117 107.238 1.879 18221 467 1 1 . 1 1 97 97 GLY C C 88 175.524 175.524 173.573 1.951 18221 468 1 1 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.560 0.272 18221 469 1 1 . 1 1 97 97 GLY H H 88 7.953 7.953 8.281 -0.328 18221 470 1 1 . 1 1 98 98 PHE N N 89 121.100 121.100 118.692 2.408 18221 471 1 1 . 1 1 98 98 PHE C C 89 176.367 176.367 174.295 2.072 18221 472 1 1 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.082 -0.182 18221 473 1 1 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.808 0.024 18221 474 1 1 . 1 1 98 98 PHE H H 89 8.000 8.000 7.760 0.240 18221 475 1 1 . 1 1 99 99 ALA N N 90 122.834 122.834 124.442 -1.608 18221 476 1 1 . 1 1 99 99 ALA C C 90 178.348 178.348 176.468 1.880 18221 477 1 1 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.322 2.955 18221 478 1 1 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.114 -0.700 18221 479 1 1 . 1 1 99 99 ALA H H 90 8.322 8.322 8.557 -0.235 18221 480 1 1 . 1 1 100 100 GLY N N 91 106.688 106.688 109.099 -2.411 18221 481 1 1 . 1 1 100 100 GLY C C 91 175.878 175.878 173.027 2.851 18221 482 1 1 . 1 1 100 100 GLY CA C 91 45.626 45.626 44.389 1.237 18221 483 1 1 . 1 1 100 100 GLY H H 91 8.000 8.000 8.074 -0.074 18221 484 1 1 . 1 1 101 101 THR N N 92 115.689 115.689 112.223 3.466 18221 485 1 1 . 1 1 101 101 THR C C 92 178.476 178.476 172.194 6.282 18221 486 1 1 . 1 1 101 101 THR CA C 92 63.364 63.364 63.029 0.335 18221 487 1 1 . 1 1 101 101 THR CB C 92 69.619 69.619 68.185 1.434 18221 488 1 1 . 1 1 101 101 THR H H 92 7.754 7.754 8.179 -0.425 18221 489 1 1 . 1 1 102 102 ALA N N 93 124.835 124.835 125.273 -0.438 18221 490 1 1 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.514 2.797 18221 491 1 1 . 1 1 102 102 ALA CB C 93 17.679 17.679 21.191 -3.512 18221 492 1 1 . 1 1 102 102 ALA H H 93 7.919 7.919 7.839 0.080 18221 493 1 1 . 1 1 103 103 LEU N N 94 117.445 117.445 120.170 -2.725 18221 494 1 1 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.876 1.906 18221 495 1 1 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.161 -1.259 18221 496 1 1 . 1 1 103 103 LEU H H 94 8.037 8.037 8.525 -0.488 18221 497 1 1 . 1 1 104 104 GLY N N 95 106.296 106.296 110.840 -4.544 18221 498 1 1 . 1 1 104 104 GLY C C 95 175.851 175.851 173.295 2.556 18221 499 1 1 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.608 1.962 18221 500 1 1 . 1 1 104 104 GLY H H 95 7.900 7.900 7.756 0.144 18221 501 1 1 . 1 1 105 105 ALA N N 96 123.872 123.872 123.989 -0.117 18221 502 1 1 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.627 2.499 18221 503 1 1 . 1 1 105 105 ALA CB C 96 17.587 17.587 17.464 0.123 18221 504 1 1 . 1 1 105 105 ALA H H 96 7.804 7.804 8.405 -0.601 18221 505 1 1 . 1 1 106 106 TRP N N 97 120.348 120.348 120.045 0.303 18221 506 1 1 . 1 1 106 106 TRP C C 97 176.857 176.857 175.187 1.670 18221 507 1 1 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.493 -0.593 18221 508 1 1 . 1 1 106 106 TRP H H 97 8.385 8.385 8.204 0.181 18221 509 1 1 . 1 1 107 107 LEU N N 98 117.756 117.756 126.870 -9.114 18221 510 1 1 . 1 1 107 107 LEU C C 98 177.659 177.659 176.532 1.127 18221 511 1 1 . 1 1 107 107 LEU CA C 98 55.103 55.103 53.940 1.163 18221 512 1 1 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.917 -1.499 18221 513 1 1 . 1 1 107 107 LEU H H 98 7.880 7.880 8.368 -0.488 18221 514 1 1 . 1 1 108 108 GLY N N 99 107.285 107.285 110.025 -2.740 18221 515 1 1 . 1 1 108 108 GLY C C 99 173.815 173.815 174.472 -0.657 18221 516 1 1 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.332 -0.385 18221 517 1 1 . 1 1 108 108 GLY H H 99 7.694 7.694 8.307 -0.613 18221 518 1 1 . 1 1 109 109 SER N N 100 117.139 117.139 117.132 0.007 18221 519 1 1 . 1 1 109 109 SER C C 100 172.179 172.179 172.406 -0.227 18221 520 1 1 . 1 1 109 109 SER CA C 100 56.015 56.015 56.948 -0.933 18221 521 1 1 . 1 1 109 109 SER CB C 100 62.771 62.771 64.343 -1.572 18221 522 1 1 . 1 1 109 109 SER H H 100 8.030 8.030 8.332 -0.302 18221 523 1 1 . 1 1 111 111 PRO C C 102 177.073 177.073 175.997 1.076 18221 524 1 1 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.989 -0.789 18221 525 1 1 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.403 0.808 18221 526 1 1 . 1 1 112 112 SER N N 103 117.115 117.115 118.972 -1.857 18221 527 1 1 . 1 1 112 112 SER C C 103 173.898 173.898 174.045 -0.147 18221 528 1 1 . 1 1 112 112 SER CA C 103 57.904 57.904 57.665 0.239 18221 529 1 1 . 1 1 112 112 SER CB C 103 63.360 63.360 65.093 -1.733 18221 530 1 1 . 1 1 112 112 SER H H 103 8.345 8.345 8.319 0.026 18221 531 1 2 . 1 1 11 11 GLY N N 2 109.366 109.366 110.670 -1.304 18221 532 1 2 . 1 1 11 11 GLY C C 2 174.543 174.543 173.963 0.580 18221 533 1 2 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.534 1.161 18221 534 1 2 . 1 1 11 11 GLY H H 2 8.271 8.271 7.930 0.341 18221 535 1 2 . 1 1 12 12 LYS N N 3 121.129 121.129 122.225 -1.096 18221 536 1 2 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.380 -0.248 18221 537 1 2 . 1 1 12 12 LYS C C 3 177.234 177.234 175.413 1.821 18221 538 1 2 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.707 0.105 18221 539 1 2 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.451 -1.605 18221 540 1 2 . 1 1 12 12 LYS H H 3 8.057 8.057 8.506 -0.449 18221 541 1 2 . 1 1 13 13 GLU N N 4 120.318 120.318 120.715 -0.397 18221 542 1 2 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.313 -0.158 18221 543 1 2 . 1 1 13 13 GLU C C 4 176.857 176.857 174.661 2.196 18221 544 1 2 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.419 0.452 18221 545 1 2 . 1 1 13 13 GLU CB C 4 28.388 28.388 31.863 -3.475 18221 546 1 2 . 1 1 13 13 GLU H H 4 8.398 8.398 8.605 -0.207 18221 547 1 2 . 1 1 14 14 SER N N 5 115.504 115.504 119.553 -4.049 18221 548 1 2 . 1 1 14 14 SER HA H 5 3.843 3.843 4.738 -0.895 18221 549 1 2 . 1 1 14 14 SER C C 5 175.337 175.337 174.669 0.668 18221 550 1 2 . 1 1 14 14 SER CA C 5 58.524 58.524 57.923 0.601 18221 551 1 2 . 1 1 14 14 SER CB C 5 63.360 63.360 62.531 0.829 18221 552 1 2 . 1 1 14 14 SER H H 5 8.089 8.089 8.631 -0.542 18221 553 1 2 . 1 1 15 15 GLY N N 6 110.761 110.761 113.307 -2.546 18221 554 1 2 . 1 1 15 15 GLY C C 6 174.581 174.581 172.923 1.658 18221 555 1 2 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.924 0.642 18221 556 1 2 . 1 1 15 15 GLY H H 6 8.197 8.197 8.392 -0.195 18221 557 1 2 . 1 1 16 16 TRP N N 7 121.800 121.800 120.675 1.125 18221 558 1 2 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.986 -0.426 18221 559 1 2 . 1 1 16 16 TRP C C 7 176.920 176.920 173.419 3.501 18221 560 1 2 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.413 1.668 18221 561 1 2 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.071 -1.392 18221 562 1 2 . 1 1 16 16 TRP H H 7 8.184 8.184 7.088 1.096 18221 563 1 2 . 1 1 17 17 ASP N N 8 121.132 121.132 119.515 1.617 18221 564 1 2 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.761 -0.366 18221 565 1 2 . 1 1 17 17 ASP C C 8 176.941 176.941 175.373 1.568 18221 566 1 2 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.577 1.667 18221 567 1 2 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.991 -2.046 18221 568 1 2 . 1 1 17 17 ASP H H 8 8.332 8.332 8.438 -0.106 18221 569 1 2 . 1 1 18 18 SER N N 9 116.148 116.148 115.416 0.732 18221 570 1 2 . 1 1 18 18 SER HA H 9 3.861 3.861 4.914 -1.053 18221 571 1 2 . 1 1 18 18 SER CA C 9 60.081 60.081 56.998 3.083 18221 572 1 2 . 1 1 18 18 SER CB C 9 62.255 62.255 66.506 -4.251 18221 573 1 2 . 1 1 18 18 SER H H 9 8.129 8.129 8.017 0.112 18221 574 1 2 . 1 1 19 19 GLY N N 10 110.747 110.747 110.029 0.718 18221 575 1 2 . 1 1 19 19 GLY C C 10 174.682 174.682 175.460 -0.778 18221 576 1 2 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.178 2.422 18221 577 1 2 . 1 1 19 19 GLY H H 10 8.216 8.216 8.494 -0.278 18221 578 1 2 . 1 1 20 20 ARG N N 11 121.405 121.405 120.313 1.092 18221 579 1 2 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.046 -0.189 18221 580 1 2 . 1 1 20 20 ARG C C 11 178.328 178.328 179.111 -0.783 18221 581 1 2 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.895 0.190 18221 582 1 2 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.179 -1.132 18221 583 1 2 . 1 1 20 20 ARG H H 11 8.158 8.158 8.549 -0.391 18221 584 1 2 . 1 1 21 21 ALA N N 12 122.167 122.167 120.582 1.585 18221 585 1 2 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.083 0.017 18221 586 1 2 . 1 1 21 21 ALA C C 12 180.129 180.129 179.281 0.848 18221 587 1 2 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.757 -0.365 18221 588 1 2 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.989 -0.575 18221 589 1 2 . 1 1 21 21 ALA H H 12 7.963 7.963 8.463 -0.500 18221 590 1 2 . 1 1 22 22 ALA N N 13 122.150 122.150 121.600 0.550 18221 591 1 2 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.966 0.071 18221 592 1 2 . 1 1 22 22 ALA C C 13 179.095 179.095 179.663 -0.568 18221 593 1 2 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.879 -0.163 18221 594 1 2 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.846 -0.284 18221 595 1 2 . 1 1 22 22 ALA H H 13 7.881 7.881 7.628 0.253 18221 596 1 2 . 1 1 23 23 VAL N N 14 117.107 117.107 118.602 -1.495 18221 597 1 2 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.572 -0.092 18221 598 1 2 . 1 1 23 23 VAL C C 14 177.586 177.586 178.195 -0.609 18221 599 1 2 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.367 -0.169 18221 600 1 2 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.013 -0.493 18221 601 1 2 . 1 1 23 23 VAL H H 14 7.888 7.888 8.100 -0.212 18221 602 1 2 . 1 1 24 24 ALA N N 15 121.333 121.333 121.850 -0.517 18221 603 1 2 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.974 0.007 18221 604 1 2 . 1 1 24 24 ALA C C 15 180.373 180.373 179.308 1.065 18221 605 1 2 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.187 -0.176 18221 606 1 2 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.842 -0.590 18221 607 1 2 . 1 1 24 24 ALA H H 15 8.037 8.037 7.877 0.160 18221 608 1 2 . 1 1 25 25 ALA N N 16 121.158 121.158 120.875 0.283 18221 609 1 2 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.164 -0.018 18221 610 1 2 . 1 1 25 25 ALA C C 16 179.828 179.828 179.109 0.719 18221 611 1 2 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.881 -0.430 18221 612 1 2 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.536 -1.049 18221 613 1 2 . 1 1 25 25 ALA H H 16 7.819 7.819 7.831 -0.012 18221 614 1 2 . 1 1 26 26 VAL N N 17 118.417 118.417 117.081 1.336 18221 615 1 2 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.945 -0.167 18221 616 1 2 . 1 1 26 26 VAL C C 17 178.020 178.020 177.047 0.973 18221 617 1 2 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.984 1.594 18221 618 1 2 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.495 -0.410 18221 619 1 2 . 1 1 26 26 VAL H H 17 7.848 7.848 7.703 0.145 18221 620 1 2 . 1 1 27 27 VAL N N 18 119.240 119.240 119.426 -0.186 18221 621 1 2 . 1 1 27 27 VAL C C 18 177.719 177.719 176.558 1.161 18221 622 1 2 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.777 1.214 18221 623 1 2 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.264 -2.077 18221 624 1 2 . 1 1 27 27 VAL H H 18 8.377 8.377 7.521 0.856 18221 625 1 2 . 1 1 28 28 GLY N N 19 106.009 106.009 106.453 -0.444 18221 626 1 2 . 1 1 28 28 GLY C C 19 176.212 176.212 174.175 2.037 18221 627 1 2 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.557 -0.313 18221 628 1 2 . 1 1 28 28 GLY H H 19 8.122 8.122 8.048 0.074 18221 629 1 2 . 1 1 29 29 GLY N N 20 110.216 110.216 111.003 -0.787 18221 630 1 2 . 1 1 29 29 GLY C C 20 174.097 174.097 175.134 -1.037 18221 631 1 2 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.601 1.733 18221 632 1 2 . 1 1 29 29 GLY H H 20 8.039 8.039 8.004 0.035 18221 633 1 2 . 1 1 30 30 VAL N N 21 121.188 121.188 119.504 1.684 18221 634 1 2 . 1 1 30 30 VAL C C 21 177.073 177.073 177.386 -0.313 18221 635 1 2 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.207 -2.634 18221 636 1 2 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.415 -0.625 18221 637 1 2 . 1 1 30 30 VAL H H 21 7.983 7.983 7.897 0.086 18221 638 1 2 . 1 1 32 32 ALA N N 23 125.091 125.091 122.035 3.056 18221 639 1 2 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.087 0.173 18221 640 1 2 . 1 1 32 32 ALA C C 23 179.523 179.523 179.818 -0.295 18221 641 1 2 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.306 -1.623 18221 642 1 2 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.056 -1.673 18221 643 1 2 . 1 1 32 32 ALA H H 23 8.036 8.036 7.462 0.574 18221 644 1 2 . 1 1 33 33 VAL N N 24 118.793 118.793 115.229 3.564 18221 645 1 2 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.871 -0.163 18221 646 1 2 . 1 1 33 33 VAL C C 24 177.901 177.901 178.016 -0.115 18221 647 1 2 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.733 -0.303 18221 648 1 2 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.327 -0.009 18221 649 1 2 . 1 1 33 33 VAL H H 24 8.195 8.195 7.937 0.258 18221 650 1 2 . 1 1 34 34 GLY N N 25 108.367 108.367 109.770 -1.403 18221 651 1 2 . 1 1 34 34 GLY C C 25 175.424 175.424 175.532 -0.108 18221 652 1 2 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.560 -0.226 18221 653 1 2 . 1 1 34 34 GLY H H 25 8.651 8.651 8.206 0.445 18221 654 1 2 . 1 1 35 35 THR N N 26 116.448 116.448 119.814 -3.366 18221 655 1 2 . 1 1 35 35 THR C C 26 176.843 176.843 176.974 -0.131 18221 656 1 2 . 1 1 35 35 THR CA C 26 65.962 65.962 67.396 -1.434 18221 657 1 2 . 1 1 35 35 THR CB C 26 68.414 68.414 68.900 -0.486 18221 658 1 2 . 1 1 35 35 THR H H 26 7.975 7.975 8.484 -0.509 18221 659 1 2 . 1 1 36 36 VAL N N 27 122.810 122.810 120.912 1.898 18221 660 1 2 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.731 -0.012 18221 661 1 2 . 1 1 36 36 VAL C C 27 177.618 177.618 177.311 0.307 18221 662 1 2 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.255 -0.529 18221 663 1 2 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.333 -0.666 18221 664 1 2 . 1 1 36 36 VAL H H 27 7.559 7.559 8.038 -0.479 18221 665 1 2 . 1 1 37 37 LEU N N 28 119.566 119.566 120.666 -1.100 18221 666 1 2 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.981 -0.028 18221 667 1 2 . 1 1 37 37 LEU C C 28 179.666 179.666 178.755 0.911 18221 668 1 2 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.317 -0.472 18221 669 1 2 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.970 -1.804 18221 670 1 2 . 1 1 37 37 LEU H H 28 8.086 8.086 7.628 0.458 18221 671 1 2 . 1 1 38 38 VAL N N 29 119.468 119.468 118.196 1.272 18221 672 1 2 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.485 0.168 18221 673 1 2 . 1 1 38 38 VAL C C 29 178.639 178.639 178.345 0.294 18221 674 1 2 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.427 -0.954 18221 675 1 2 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.047 -0.438 18221 676 1 2 . 1 1 38 38 VAL H H 29 8.066 8.066 8.535 -0.469 18221 677 1 2 . 1 1 39 39 ALA N N 30 124.255 124.255 122.134 2.121 18221 678 1 2 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.029 0.137 18221 679 1 2 . 1 1 39 39 ALA C C 30 180.303 180.303 179.578 0.725 18221 680 1 2 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.127 -0.293 18221 681 1 2 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.460 -0.752 18221 682 1 2 . 1 1 39 39 ALA H H 30 7.688 7.688 7.824 -0.136 18221 683 1 2 . 1 1 40 40 LEU N N 31 118.268 118.268 119.064 -0.796 18221 684 1 2 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.001 0.140 18221 685 1 2 . 1 1 40 40 LEU C C 31 179.271 179.271 179.335 -0.064 18221 686 1 2 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.776 -0.698 18221 687 1 2 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.603 -0.701 18221 688 1 2 . 1 1 40 40 LEU H H 31 8.326 8.326 7.922 0.404 18221 689 1 2 . 1 1 41 41 SER N N 32 114.984 114.984 113.781 1.203 18221 690 1 2 . 1 1 41 41 SER HA H 32 3.952 3.952 4.095 -0.143 18221 691 1 2 . 1 1 41 41 SER C C 32 176.284 176.284 175.117 1.167 18221 692 1 2 . 1 1 41 41 SER CA C 32 60.885 60.885 60.428 0.456 18221 693 1 2 . 1 1 41 41 SER CB C 32 62.410 62.410 63.535 -1.125 18221 694 1 2 . 1 1 41 41 SER H H 32 8.062 8.062 8.193 -0.131 18221 695 1 2 . 1 1 42 42 ALA N N 33 124.588 124.588 121.409 3.179 18221 696 1 2 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.223 0.002 18221 697 1 2 . 1 1 42 42 ALA C C 33 179.033 179.033 176.055 2.978 18221 698 1 2 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.280 1.433 18221 699 1 2 . 1 1 42 42 ALA CB C 33 17.929 17.929 20.034 -2.105 18221 700 1 2 . 1 1 42 42 ALA H H 33 7.813 7.813 7.889 -0.076 18221 701 1 2 . 1 1 43 43 MET N N 34 116.808 116.808 115.250 1.558 18221 702 1 2 . 1 1 43 43 MET HA H 34 4.285 4.285 4.478 -0.193 18221 703 1 2 . 1 1 43 43 MET C C 34 176.807 176.807 175.820 0.987 18221 704 1 2 . 1 1 43 43 MET CA C 34 56.576 56.576 56.515 0.061 18221 705 1 2 . 1 1 43 43 MET CB C 34 32.435 32.435 33.698 -1.263 18221 706 1 2 . 1 1 43 43 MET H H 34 7.691 7.691 8.034 -0.343 18221 707 1 2 . 1 1 44 44 GLY N N 35 107.020 107.020 108.363 -1.343 18221 708 1 2 . 1 1 44 44 GLY C C 35 174.493 174.493 174.396 0.097 18221 709 1 2 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.566 -0.501 18221 710 1 2 . 1 1 44 44 GLY H H 35 7.793 7.793 8.271 -0.478 18221 711 1 2 . 1 1 45 45 PHE N N 36 120.285 120.285 118.459 1.826 18221 712 1 2 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.791 -0.284 18221 713 1 2 . 1 1 45 45 PHE C C 36 176.876 176.876 173.911 2.965 18221 714 1 2 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.075 0.862 18221 715 1 2 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.236 -1.058 18221 716 1 2 . 1 1 45 45 PHE H H 36 8.215 8.215 7.840 0.375 18221 717 1 2 . 1 1 46 46 THR N N 37 114.008 114.008 118.276 -4.268 18221 718 1 2 . 1 1 46 46 THR HA H 37 4.080 4.080 4.401 -0.321 18221 719 1 2 . 1 1 46 46 THR C C 37 175.751 175.751 173.850 1.901 18221 720 1 2 . 1 1 46 46 THR CA C 37 64.220 64.220 62.318 1.902 18221 721 1 2 . 1 1 46 46 THR CB C 37 68.514 68.514 69.802 -1.288 18221 722 1 2 . 1 1 46 46 THR H H 37 8.111 8.111 7.791 0.320 18221 723 1 2 . 1 1 47 47 SER N N 38 116.646 116.646 118.939 -2.293 18221 724 1 2 . 1 1 47 47 SER HA H 38 3.918 3.918 4.390 -0.472 18221 725 1 2 . 1 1 47 47 SER C C 38 176.744 176.744 175.202 1.542 18221 726 1 2 . 1 1 47 47 SER CA C 38 59.911 59.911 59.506 0.405 18221 727 1 2 . 1 1 47 47 SER CB C 38 62.624 62.624 63.301 -0.677 18221 728 1 2 . 1 1 47 47 SER H H 38 8.079 8.079 8.353 -0.274 18221 729 1 2 . 1 1 48 48 VAL N N 39 121.929 121.929 123.371 -1.442 18221 730 1 2 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.849 0.060 18221 731 1 2 . 1 1 48 48 VAL C C 39 177.033 177.033 177.342 -0.309 18221 732 1 2 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.191 -1.203 18221 733 1 2 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.532 -0.865 18221 734 1 2 . 1 1 48 48 VAL H H 39 7.985 7.985 7.997 -0.012 18221 735 1 2 . 1 1 49 49 GLY N N 40 108.633 108.633 107.826 0.807 18221 736 1 2 . 1 1 49 49 GLY C C 40 176.038 176.038 176.330 -0.292 18221 737 1 2 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.724 -0.859 18221 738 1 2 . 1 1 49 49 GLY H H 40 8.267 8.267 8.301 -0.034 18221 739 1 2 . 1 1 50 50 ILE N N 41 122.466 122.466 122.966 -0.500 18221 740 1 2 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.674 0.197 18221 741 1 2 . 1 1 50 50 ILE C C 41 178.363 178.363 178.043 0.320 18221 742 1 2 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.357 -0.842 18221 743 1 2 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.613 -0.375 18221 744 1 2 . 1 1 50 50 ILE H H 41 7.865 7.865 7.911 -0.046 18221 745 1 2 . 1 1 51 51 ALA N N 42 125.064 125.064 121.835 3.229 18221 746 1 2 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.881 0.218 18221 747 1 2 . 1 1 51 51 ALA C C 42 179.385 179.385 179.092 0.293 18221 748 1 2 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.990 -0.510 18221 749 1 2 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.954 -0.467 18221 750 1 2 . 1 1 51 51 ALA H H 42 7.930 7.930 8.134 -0.204 18221 751 1 2 . 1 1 52 52 ALA N N 43 120.594 120.594 120.450 0.144 18221 752 1 2 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.067 -0.130 18221 753 1 2 . 1 1 52 52 ALA C C 43 179.088 179.088 179.826 -0.738 18221 754 1 2 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.703 0.397 18221 755 1 2 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.980 -0.345 18221 756 1 2 . 1 1 52 52 ALA H H 43 8.639 8.639 8.101 0.538 18221 757 1 2 . 1 1 53 53 SER N N 44 113.012 113.012 115.344 -2.332 18221 758 1 2 . 1 1 53 53 SER HA H 44 3.966 3.966 4.192 -0.226 18221 759 1 2 . 1 1 53 53 SER C C 44 176.898 176.898 176.744 0.154 18221 760 1 2 . 1 1 53 53 SER CA C 44 61.139 61.139 61.690 -0.551 18221 761 1 2 . 1 1 53 53 SER CB C 44 62.347 62.347 63.073 -0.726 18221 762 1 2 . 1 1 53 53 SER H H 44 8.193 8.193 8.113 0.080 18221 763 1 2 . 1 1 54 54 SER N N 45 118.714 118.714 118.223 0.491 18221 764 1 2 . 1 1 54 54 SER HA H 45 3.975 3.975 4.147 -0.172 18221 765 1 2 . 1 1 54 54 SER C C 45 177.131 177.131 176.899 0.232 18221 766 1 2 . 1 1 54 54 SER CA C 45 61.210 61.210 62.226 -1.016 18221 767 1 2 . 1 1 54 54 SER CB C 45 62.255 62.255 63.029 -0.774 18221 768 1 2 . 1 1 54 54 SER H H 45 7.944 7.944 8.173 -0.229 18221 769 1 2 . 1 1 55 55 ILE N N 46 122.912 122.912 120.750 2.162 18221 770 1 2 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.786 -0.029 18221 771 1 2 . 1 1 55 55 ILE C C 46 177.813 177.813 177.804 0.009 18221 772 1 2 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.049 0.142 18221 773 1 2 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.106 -0.180 18221 774 1 2 . 1 1 55 55 ILE H H 46 8.028 8.028 8.075 -0.047 18221 775 1 2 . 1 1 56 56 ALA N N 47 122.990 122.990 122.589 0.401 18221 776 1 2 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.001 -0.045 18221 777 1 2 . 1 1 56 56 ALA C C 47 180.294 180.294 179.098 1.196 18221 778 1 2 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.289 0.049 18221 779 1 2 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.769 -1.067 18221 780 1 2 . 1 1 56 56 ALA H H 47 8.333 8.333 7.756 0.577 18221 781 1 2 . 1 1 57 57 ALA N N 48 121.988 121.988 122.536 -0.548 18221 782 1 2 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.959 0.109 18221 783 1 2 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.071 1.350 18221 784 1 2 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.244 -1.542 18221 785 1 2 . 1 1 57 57 ALA H H 48 7.879 7.879 8.122 -0.243 18221 786 1 2 . 1 1 58 58 LYS N N 49 119.094 119.094 117.276 1.818 18221 787 1 2 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.970 0.176 18221 788 1 2 . 1 1 58 58 LYS C C 49 179.649 179.649 175.846 3.803 18221 789 1 2 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.120 0.037 18221 790 1 2 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.051 0.279 18221 791 1 2 . 1 1 58 58 LYS H H 49 7.727 7.727 8.028 -0.301 18221 792 1 2 . 1 1 59 59 MET N N 50 120.498 120.498 117.841 2.657 18221 793 1 2 . 1 1 59 59 MET HA H 50 4.156 4.156 4.493 -0.337 18221 794 1 2 . 1 1 59 59 MET C C 50 177.949 177.949 176.052 1.897 18221 795 1 2 . 1 1 59 59 MET CA C 50 57.136 57.136 55.514 1.622 18221 796 1 2 . 1 1 59 59 MET CB C 50 31.922 31.922 32.743 -0.821 18221 797 1 2 . 1 1 59 59 MET H H 50 8.395 8.395 8.249 0.146 18221 798 1 2 . 1 1 60 60 MET N N 51 117.689 117.689 121.118 -3.429 18221 799 1 2 . 1 1 60 60 MET HA H 51 4.222 4.222 4.189 0.033 18221 800 1 2 . 1 1 60 60 MET C C 51 177.674 177.674 174.768 2.906 18221 801 1 2 . 1 1 60 60 MET CA C 51 57.638 57.638 55.507 2.131 18221 802 1 2 . 1 1 60 60 MET CB C 51 31.785 31.785 32.617 -0.833 18221 803 1 2 . 1 1 60 60 MET H H 51 8.234 8.234 8.257 -0.023 18221 804 1 2 . 1 1 61 61 SER N N 52 114.385 114.385 116.717 -2.332 18221 805 1 2 . 1 1 61 61 SER HA H 52 4.001 4.001 4.520 -0.519 18221 806 1 2 . 1 1 61 61 SER C C 52 176.079 176.079 174.623 1.456 18221 807 1 2 . 1 1 61 61 SER CA C 52 59.911 59.911 58.073 1.838 18221 808 1 2 . 1 1 61 61 SER CB C 52 62.624 62.624 64.068 -1.444 18221 809 1 2 . 1 1 61 61 SER H H 52 7.893 7.893 8.225 -0.332 18221 810 1 2 . 1 1 62 62 THR N N 53 117.304 117.304 116.889 0.415 18221 811 1 2 . 1 1 62 62 THR HA H 53 4.104 4.104 4.276 -0.172 18221 812 1 2 . 1 1 62 62 THR C C 53 175.436 175.436 173.919 1.517 18221 813 1 2 . 1 1 62 62 THR CA C 53 64.220 64.220 62.810 1.410 18221 814 1 2 . 1 1 62 62 THR CB C 53 68.514 68.514 68.473 0.041 18221 815 1 2 . 1 1 62 62 THR H H 53 7.794 7.794 8.229 -0.435 18221 816 1 2 . 1 1 63 63 ALA N N 54 125.382 125.382 129.350 -3.968 18221 817 1 2 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.540 -0.446 18221 818 1 2 . 1 1 63 63 ALA C C 54 178.328 178.328 175.371 2.957 18221 819 1 2 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.349 1.747 18221 820 1 2 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.482 -2.774 18221 821 1 2 . 1 1 63 63 ALA H H 54 8.204 8.204 8.174 0.030 18221 822 1 2 . 1 1 64 64 ALA N N 55 119.929 119.929 123.827 -3.898 18221 823 1 2 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.741 -0.616 18221 824 1 2 . 1 1 64 64 ALA C C 55 179.183 179.183 176.743 2.440 18221 825 1 2 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.002 2.035 18221 826 1 2 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.399 -1.691 18221 827 1 2 . 1 1 64 64 ALA H H 55 7.951 7.951 8.211 -0.260 18221 828 1 2 . 1 1 65 65 ILE N N 56 117.016 117.016 120.064 -3.048 18221 829 1 2 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.039 -0.089 18221 830 1 2 . 1 1 65 65 ILE C C 56 177.222 177.222 175.491 1.731 18221 831 1 2 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.073 1.111 18221 832 1 2 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.272 0.801 18221 833 1 2 . 1 1 65 65 ILE H H 56 7.561 7.561 8.168 -0.607 18221 834 1 2 . 1 1 66 66 ALA N N 57 124.191 124.191 128.382 -4.191 18221 835 1 2 . 1 1 66 66 ALA HA H 57 4.177 4.177 3.975 0.202 18221 836 1 2 . 1 1 66 66 ALA C C 57 178.190 178.190 176.029 2.161 18221 837 1 2 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.295 1.241 18221 838 1 2 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.296 0.633 18221 839 1 2 . 1 1 66 66 ALA H H 57 7.982 7.982 8.254 -0.272 18221 840 1 2 . 1 1 67 67 ASN N N 58 116.132 116.132 115.601 0.531 18221 841 1 2 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.366 0.307 18221 842 1 2 . 1 1 67 67 ASN C C 58 176.344 176.344 173.323 3.021 18221 843 1 2 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.976 -0.499 18221 844 1 2 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.790 -0.318 18221 845 1 2 . 1 1 67 67 ASN H H 58 8.113 8.113 8.560 -0.447 18221 846 1 2 . 1 1 68 68 GLY N N 59 108.808 108.808 107.016 1.792 18221 847 1 2 . 1 1 68 68 GLY C C 59 174.958 174.958 173.072 1.886 18221 848 1 2 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.382 0.273 18221 849 1 2 . 1 1 68 68 GLY H H 59 8.152 8.152 8.178 -0.026 18221 850 1 2 . 1 1 69 69 GLY N N 60 108.832 108.832 109.330 -0.498 18221 851 1 2 . 1 1 69 69 GLY C C 60 174.631 174.631 174.052 0.579 18221 852 1 2 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.831 -0.412 18221 853 1 2 . 1 1 69 69 GLY H H 60 8.218 8.218 8.350 -0.132 18221 854 1 2 . 1 1 70 70 GLY N N 61 108.966 108.966 113.222 -4.256 18221 855 1 2 . 1 1 70 70 GLY C C 61 174.594 174.594 173.721 0.873 18221 856 1 2 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.794 0.567 18221 857 1 2 . 1 1 70 70 GLY H H 61 8.175 8.175 8.188 -0.013 18221 858 1 2 . 1 1 71 71 VAL N N 62 120.209 120.209 123.243 -3.034 18221 859 1 2 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.060 -0.054 18221 860 1 2 . 1 1 71 71 VAL C C 62 176.077 176.077 176.235 -0.158 18221 861 1 2 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.117 -0.727 18221 862 1 2 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.354 -0.656 18221 863 1 2 . 1 1 71 71 VAL H H 62 7.882 7.882 8.533 -0.651 18221 864 1 2 . 1 1 72 72 ALA N N 63 126.966 126.966 123.573 3.393 18221 865 1 2 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.486 -0.460 18221 866 1 2 . 1 1 72 72 ALA C C 63 178.064 178.064 176.059 2.005 18221 867 1 2 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.834 0.669 18221 868 1 2 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.571 -0.346 18221 869 1 2 . 1 1 72 72 ALA H H 63 8.237 8.237 7.907 0.330 18221 870 1 2 . 1 1 73 73 ALA N N 64 123.432 123.432 126.204 -2.772 18221 871 1 2 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.438 -0.423 18221 872 1 2 . 1 1 73 73 ALA C C 64 178.995 178.995 176.290 2.705 18221 873 1 2 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.430 1.991 18221 874 1 2 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.851 -2.848 18221 875 1 2 . 1 1 73 73 ALA H H 64 8.421 8.421 8.231 0.190 18221 876 1 2 . 1 1 74 74 GLY N N 65 105.577 105.577 112.213 -6.636 18221 877 1 2 . 1 1 74 74 GLY C C 65 176.367 176.367 175.567 0.800 18221 878 1 2 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.991 1.253 18221 879 1 2 . 1 1 74 74 GLY H H 65 8.448 8.448 8.246 0.202 18221 880 1 2 . 1 1 75 75 SER N N 66 117.656 117.656 119.551 -1.895 18221 881 1 2 . 1 1 75 75 SER HA H 66 4.394 4.394 4.134 0.260 18221 882 1 2 . 1 1 75 75 SER C C 66 176.329 176.329 176.557 -0.228 18221 883 1 2 . 1 1 75 75 SER CA C 66 60.236 60.236 60.957 -0.721 18221 884 1 2 . 1 1 75 75 SER CB C 66 62.476 62.476 63.027 -0.551 18221 885 1 2 . 1 1 75 75 SER H H 66 7.899 7.899 8.652 -0.753 18221 886 1 2 . 1 1 76 76 LEU N N 67 122.743 122.743 122.206 0.537 18221 887 1 2 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.014 0.036 18221 888 1 2 . 1 1 76 76 LEU C C 67 178.442 178.442 178.082 0.360 18221 889 1 2 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.833 -0.313 18221 890 1 2 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.885 -1.204 18221 891 1 2 . 1 1 76 76 LEU H H 67 7.955 7.955 8.115 -0.160 18221 892 1 2 . 1 1 77 77 VAL N N 68 118.400 118.400 118.518 -0.118 18221 893 1 2 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.513 -0.042 18221 894 1 2 . 1 1 77 77 VAL C C 68 177.297 177.297 177.803 -0.506 18221 895 1 2 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.634 0.036 18221 896 1 2 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.152 -0.632 18221 897 1 2 . 1 1 77 77 VAL H H 68 8.039 8.039 8.237 -0.198 18221 898 1 2 . 1 1 78 78 ALA N N 69 121.927 121.927 122.140 -0.213 18221 899 1 2 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.089 0.116 18221 900 1 2 . 1 1 78 78 ALA C C 69 181.258 181.258 179.376 1.882 18221 901 1 2 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.352 -0.370 18221 902 1 2 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.028 -0.614 18221 903 1 2 . 1 1 78 78 ALA H H 69 7.631 7.631 7.816 -0.185 18221 904 1 2 . 1 1 79 79 ILE N N 70 119.782 119.782 119.625 0.157 18221 905 1 2 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.698 0.098 18221 906 1 2 . 1 1 79 79 ILE C C 70 178.253 178.253 177.991 0.262 18221 907 1 2 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.882 -0.530 18221 908 1 2 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.863 -0.790 18221 909 1 2 . 1 1 79 79 ILE H H 70 7.841 7.841 7.069 0.772 18221 910 1 2 . 1 1 80 80 LEU N N 71 120.841 120.841 119.418 1.423 18221 911 1 2 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.855 0.082 18221 912 1 2 . 1 1 80 80 LEU C C 71 179.234 179.234 178.750 0.484 18221 913 1 2 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.345 -0.500 18221 914 1 2 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.446 -1.427 18221 915 1 2 . 1 1 80 80 LEU H H 71 8.190 8.190 8.443 -0.253 18221 916 1 2 . 1 1 81 81 GLN N N 72 117.558 117.558 117.835 -0.277 18221 917 1 2 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.916 0.053 18221 918 1 2 . 1 1 81 81 GLN C C 72 178.530 178.530 178.751 -0.221 18221 919 1 2 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.300 -0.481 18221 920 1 2 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.405 -1.125 18221 921 1 2 . 1 1 81 81 GLN H H 72 8.489 8.489 7.951 0.538 18221 922 1 2 . 1 1 82 82 SER N N 73 116.103 116.103 115.276 0.827 18221 923 1 2 . 1 1 82 82 SER HA H 73 4.233 4.233 4.237 -0.004 18221 924 1 2 . 1 1 82 82 SER C C 73 177.243 177.243 177.028 0.215 18221 925 1 2 . 1 1 82 82 SER CA C 73 61.044 61.044 61.664 -0.620 18221 926 1 2 . 1 1 82 82 SER CB C 73 62.257 62.257 63.024 -0.767 18221 927 1 2 . 1 1 82 82 SER H H 73 7.855 7.855 7.989 -0.134 18221 928 1 2 . 1 1 83 83 VAL N N 74 120.362 120.362 121.092 -0.730 18221 929 1 2 . 1 1 83 83 VAL C C 74 177.979 177.979 178.167 -0.188 18221 930 1 2 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.321 -1.215 18221 931 1 2 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.514 -0.773 18221 932 1 2 . 1 1 83 83 VAL H H 74 8.030 8.030 8.282 -0.252 18221 933 1 2 . 1 1 84 84 GLY N N 75 108.223 108.223 106.605 1.618 18221 934 1 2 . 1 1 84 84 GLY C C 75 174.913 174.913 175.219 -0.306 18221 935 1 2 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.919 -0.142 18221 936 1 2 . 1 1 84 84 GLY H H 75 8.369 8.369 7.907 0.462 18221 937 1 2 . 1 1 85 85 ALA N N 76 123.550 123.550 124.678 -1.128 18221 938 1 2 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.040 0.054 18221 939 1 2 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.998 -0.400 18221 940 1 2 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.242 -0.619 18221 941 1 2 . 1 1 85 85 ALA H H 76 8.115 8.115 7.991 0.124 18221 942 1 2 . 1 1 86 86 ALA N N 77 120.410 120.410 121.275 -0.865 18221 943 1 2 . 1 1 86 86 ALA C C 77 178.988 178.988 179.691 -0.703 18221 944 1 2 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.200 -0.364 18221 945 1 2 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.982 -0.472 18221 946 1 2 . 1 1 86 86 ALA H H 77 8.632 8.632 8.193 0.439 18221 947 1 2 . 1 1 87 87 GLY N N 78 105.706 105.706 107.554 -1.848 18221 948 1 2 . 1 1 87 87 GLY C C 78 175.939 175.939 176.123 -0.184 18221 949 1 2 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.092 -0.974 18221 950 1 2 . 1 1 87 87 GLY H H 78 8.196 8.196 8.087 0.109 18221 951 1 2 . 1 1 88 88 LEU N N 79 124.128 124.128 121.668 2.460 18221 952 1 2 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.736 -0.334 18221 953 1 2 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.736 -1.349 18221 954 1 2 . 1 1 88 88 LEU H H 79 8.449 8.449 8.256 0.193 18221 955 1 2 . 1 1 89 89 SER N N 80 116.251 116.251 114.986 1.265 18221 956 1 2 . 1 1 89 89 SER C C 80 179.153 179.153 176.407 2.746 18221 957 1 2 . 1 1 89 89 SER CA C 80 61.023 61.023 62.635 -1.612 18221 958 1 2 . 1 1 89 89 SER CB C 80 62.255 62.255 63.000 -0.745 18221 959 1 2 . 1 1 89 89 SER H H 80 8.120 8.120 8.201 -0.081 18221 960 1 2 . 1 1 90 90 VAL N N 81 119.310 119.310 121.427 -2.117 18221 961 1 2 . 1 1 90 90 VAL C C 81 177.652 177.652 177.547 0.105 18221 962 1 2 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.596 -0.520 18221 963 1 2 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.632 -0.302 18221 964 1 2 . 1 1 90 90 VAL H H 81 7.955 7.955 8.178 -0.223 18221 965 1 2 . 1 1 91 91 THR N N 82 115.535 115.535 116.782 -1.247 18221 966 1 2 . 1 1 91 91 THR C C 82 176.571 176.571 176.703 -0.132 18221 967 1 2 . 1 1 91 91 THR CA C 82 66.434 66.434 67.604 -1.170 18221 968 1 2 . 1 1 91 91 THR CB C 82 67.742 67.742 68.730 -0.988 18221 969 1 2 . 1 1 91 91 THR H H 82 7.888 7.888 8.495 -0.607 18221 970 1 2 . 1 1 92 92 SER N N 83 116.537 116.537 117.848 -1.311 18221 971 1 2 . 1 1 92 92 SER HA H 83 4.040 4.040 4.074 -0.034 18221 972 1 2 . 1 1 92 92 SER C C 83 176.761 176.761 176.633 0.128 18221 973 1 2 . 1 1 92 92 SER CA C 83 61.564 61.564 61.890 -0.326 18221 974 1 2 . 1 1 92 92 SER CB C 83 62.009 62.009 62.564 -0.555 18221 975 1 2 . 1 1 92 92 SER H H 83 8.212 8.212 8.092 0.120 18221 976 1 2 . 1 1 93 93 LYS N N 84 122.353 122.353 121.185 1.168 18221 977 1 2 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.978 0.141 18221 978 1 2 . 1 1 93 93 LYS C C 84 172.812 172.812 179.274 -6.462 18221 979 1 2 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.350 -0.915 18221 980 1 2 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.501 -1.024 18221 981 1 2 . 1 1 93 93 LYS H H 84 7.642 7.642 7.999 -0.357 18221 982 1 2 . 1 1 94 94 VAL N N 85 119.348 119.348 118.594 0.754 18221 983 1 2 . 1 1 94 94 VAL C C 85 177.948 177.948 177.501 0.447 18221 984 1 2 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.456 -0.067 18221 985 1 2 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.427 0.419 18221 986 1 2 . 1 1 94 94 VAL H H 85 8.414 8.414 7.929 0.485 18221 987 1 2 . 1 1 95 95 ILE N N 86 118.769 118.769 117.159 1.610 18221 988 1 2 . 1 1 95 95 ILE C C 86 177.972 177.972 176.394 1.578 18221 989 1 2 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.822 0.015 18221 990 1 2 . 1 1 95 95 ILE CB C 86 36.632 36.632 39.066 -2.434 18221 991 1 2 . 1 1 95 95 ILE H H 86 8.169 8.169 7.761 0.408 18221 992 1 2 . 1 1 96 96 GLY N N 87 107.955 107.955 104.681 3.274 18221 993 1 2 . 1 1 96 96 GLY C C 87 176.571 176.571 174.628 1.943 18221 994 1 2 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.878 1.633 18221 995 1 2 . 1 1 96 96 GLY H H 87 8.182 8.182 8.252 -0.070 18221 996 1 2 . 1 1 97 97 GLY N N 88 109.117 109.117 109.488 -0.371 18221 997 1 2 . 1 1 97 97 GLY C C 88 175.524 175.524 174.650 0.874 18221 998 1 2 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.006 -0.174 18221 999 1 2 . 1 1 97 97 GLY H H 88 7.953 7.953 7.793 0.160 18221 1000 1 2 . 1 1 98 98 PHE N N 89 121.100 121.100 117.013 4.087 18221 1001 1 2 . 1 1 98 98 PHE C C 89 176.367 176.367 175.119 1.248 18221 1002 1 2 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.365 -1.465 18221 1003 1 2 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.301 0.531 18221 1004 1 2 . 1 1 98 98 PHE H H 89 8.000 8.000 8.221 -0.221 18221 1005 1 2 . 1 1 99 99 ALA N N 90 122.834 122.834 128.227 -5.393 18221 1006 1 2 . 1 1 99 99 ALA C C 90 178.348 178.348 178.011 0.337 18221 1007 1 2 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.648 2.629 18221 1008 1 2 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.098 -2.684 18221 1009 1 2 . 1 1 99 99 ALA H H 90 8.322 8.322 8.235 0.087 18221 1010 1 2 . 1 1 100 100 GLY N N 91 106.688 106.688 106.558 0.130 18221 1011 1 2 . 1 1 100 100 GLY C C 91 175.878 175.878 173.815 2.063 18221 1012 1 2 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.151 0.475 18221 1013 1 2 . 1 1 100 100 GLY H H 91 8.000 8.000 8.007 -0.007 18221 1014 1 2 . 1 1 101 101 THR N N 92 115.689 115.689 118.288 -2.599 18221 1015 1 2 . 1 1 101 101 THR C C 92 178.476 178.476 173.461 5.015 18221 1016 1 2 . 1 1 101 101 THR CA C 92 63.364 63.364 63.314 0.050 18221 1017 1 2 . 1 1 101 101 THR CB C 92 69.619 69.619 69.000 0.619 18221 1018 1 2 . 1 1 101 101 THR H H 92 7.754 7.754 8.200 -0.446 18221 1019 1 2 . 1 1 102 102 ALA N N 93 124.835 124.835 127.719 -2.884 18221 1020 1 2 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.862 2.449 18221 1021 1 2 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.276 -2.597 18221 1022 1 2 . 1 1 102 102 ALA H H 93 7.919 7.919 7.882 0.037 18221 1023 1 2 . 1 1 103 103 LEU N N 94 117.445 117.445 119.022 -1.577 18221 1024 1 2 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.792 0.990 18221 1025 1 2 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.094 -0.192 18221 1026 1 2 . 1 1 103 103 LEU H H 94 8.037 8.037 8.451 -0.414 18221 1027 1 2 . 1 1 104 104 GLY N N 95 106.296 106.296 106.519 -0.223 18221 1028 1 2 . 1 1 104 104 GLY C C 95 175.851 175.851 173.063 2.788 18221 1029 1 2 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.124 2.446 18221 1030 1 2 . 1 1 104 104 GLY H H 95 7.900 7.900 7.613 0.287 18221 1031 1 2 . 1 1 105 105 ALA N N 96 123.872 123.872 124.954 -1.082 18221 1032 1 2 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.033 2.093 18221 1033 1 2 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.957 -1.370 18221 1034 1 2 . 1 1 105 105 ALA H H 96 7.804 7.804 7.728 0.076 18221 1035 1 2 . 1 1 106 106 TRP N N 97 120.348 120.348 122.921 -2.573 18221 1036 1 2 . 1 1 106 106 TRP C C 97 176.857 176.857 177.808 -0.951 18221 1037 1 2 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.974 0.926 18221 1038 1 2 . 1 1 106 106 TRP H H 97 8.385 8.385 8.088 0.297 18221 1039 1 2 . 1 1 107 107 LEU N N 98 117.756 117.756 120.969 -3.213 18221 1040 1 2 . 1 1 107 107 LEU C C 98 177.659 177.659 177.709 -0.050 18221 1041 1 2 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.900 -0.797 18221 1042 1 2 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.587 -0.169 18221 1043 1 2 . 1 1 107 107 LEU H H 98 7.880 7.880 8.492 -0.612 18221 1044 1 2 . 1 1 108 108 GLY N N 99 107.285 107.285 109.277 -1.992 18221 1045 1 2 . 1 1 108 108 GLY C C 99 173.815 173.815 174.258 -0.443 18221 1046 1 2 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.528 -0.581 18221 1047 1 2 . 1 1 108 108 GLY H H 99 7.694 7.694 8.452 -0.758 18221 1048 1 2 . 1 1 109 109 SER N N 100 117.139 117.139 117.381 -0.242 18221 1049 1 2 . 1 1 109 109 SER C C 100 172.179 172.179 172.461 -0.282 18221 1050 1 2 . 1 1 109 109 SER CA C 100 56.015 56.015 56.482 -0.467 18221 1051 1 2 . 1 1 109 109 SER CB C 100 62.771 62.771 65.231 -2.459 18221 1052 1 2 . 1 1 109 109 SER H H 100 8.030 8.030 8.222 -0.192 18221 1053 1 2 . 1 1 111 111 PRO C C 102 177.073 177.073 175.983 1.090 18221 1054 1 2 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.076 -0.877 18221 1055 1 2 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.490 0.721 18221 1056 1 2 . 1 1 112 112 SER N N 103 117.115 117.115 116.846 0.269 18221 1057 1 2 . 1 1 112 112 SER C C 103 173.898 173.898 172.783 1.115 18221 1058 1 2 . 1 1 112 112 SER CA C 103 57.904 57.904 59.307 -1.403 18221 1059 1 2 . 1 1 112 112 SER CB C 103 63.360 63.360 64.230 -0.870 18221 1060 1 2 . 1 1 112 112 SER H H 103 8.345 8.345 7.939 0.406 18221 1061 1 3 . 1 1 11 11 GLY N N 2 109.366 109.366 111.040 -1.674 18221 1062 1 3 . 1 1 11 11 GLY C C 2 174.543 174.543 172.414 2.129 18221 1063 1 3 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.045 0.650 18221 1064 1 3 . 1 1 11 11 GLY H H 2 8.271 8.271 8.432 -0.161 18221 1065 1 3 . 1 1 12 12 LYS N N 3 121.129 121.129 119.788 1.341 18221 1066 1 3 . 1 1 12 12 LYS HA H 3 4.132 4.132 3.833 0.299 18221 1067 1 3 . 1 1 12 12 LYS C C 3 177.234 177.234 174.975 2.259 18221 1068 1 3 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.457 0.355 18221 1069 1 3 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.812 -0.966 18221 1070 1 3 . 1 1 12 12 LYS H H 3 8.057 8.057 7.994 0.063 18221 1071 1 3 . 1 1 13 13 GLU N N 4 120.318 120.318 122.128 -1.810 18221 1072 1 3 . 1 1 13 13 GLU HA H 4 4.155 4.155 3.593 0.562 18221 1073 1 3 . 1 1 13 13 GLU C C 4 176.857 176.857 176.490 0.367 18221 1074 1 3 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.867 0.004 18221 1075 1 3 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.149 -1.761 18221 1076 1 3 . 1 1 13 13 GLU H H 4 8.398 8.398 8.403 -0.005 18221 1077 1 3 . 1 1 14 14 SER N N 5 115.504 115.504 115.089 0.415 18221 1078 1 3 . 1 1 14 14 SER HA H 5 3.843 3.843 4.508 -0.665 18221 1079 1 3 . 1 1 14 14 SER C C 5 175.337 175.337 175.505 -0.168 18221 1080 1 3 . 1 1 14 14 SER CA C 5 58.524 58.524 58.268 0.256 18221 1081 1 3 . 1 1 14 14 SER CB C 5 63.360 63.360 63.302 0.058 18221 1082 1 3 . 1 1 14 14 SER H H 5 8.089 8.089 7.956 0.133 18221 1083 1 3 . 1 1 15 15 GLY N N 6 110.761 110.761 114.958 -4.197 18221 1084 1 3 . 1 1 15 15 GLY C C 6 174.581 174.581 174.202 0.379 18221 1085 1 3 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.732 0.834 18221 1086 1 3 . 1 1 15 15 GLY H H 6 8.197 8.197 8.826 -0.629 18221 1087 1 3 . 1 1 16 16 TRP N N 7 121.800 121.800 122.901 -1.101 18221 1088 1 3 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.341 0.219 18221 1089 1 3 . 1 1 16 16 TRP C C 7 176.920 176.920 175.434 1.486 18221 1090 1 3 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.244 -0.163 18221 1091 1 3 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.344 0.335 18221 1092 1 3 . 1 1 16 16 TRP H H 7 8.184 8.184 8.030 0.154 18221 1093 1 3 . 1 1 17 17 ASP N N 8 121.132 121.132 123.264 -2.132 18221 1094 1 3 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.700 -0.305 18221 1095 1 3 . 1 1 17 17 ASP C C 8 176.941 176.941 175.594 1.347 18221 1096 1 3 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.899 2.345 18221 1097 1 3 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.918 -1.973 18221 1098 1 3 . 1 1 17 17 ASP H H 8 8.332 8.332 8.125 0.207 18221 1099 1 3 . 1 1 18 18 SER N N 9 116.148 116.148 119.071 -2.923 18221 1100 1 3 . 1 1 18 18 SER HA H 9 3.861 3.861 4.532 -0.671 18221 1101 1 3 . 1 1 18 18 SER CA C 9 60.081 60.081 58.335 1.746 18221 1102 1 3 . 1 1 18 18 SER CB C 9 62.255 62.255 64.060 -1.805 18221 1103 1 3 . 1 1 18 18 SER H H 9 8.129 8.129 8.269 -0.140 18221 1104 1 3 . 1 1 19 19 GLY N N 10 110.747 110.747 109.673 1.074 18221 1105 1 3 . 1 1 19 19 GLY C C 10 174.682 174.682 175.910 -1.228 18221 1106 1 3 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.625 0.975 18221 1107 1 3 . 1 1 19 19 GLY H H 10 8.216 8.216 8.226 -0.010 18221 1108 1 3 . 1 1 20 20 ARG N N 11 121.405 121.405 120.249 1.156 18221 1109 1 3 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.206 -0.349 18221 1110 1 3 . 1 1 20 20 ARG C C 11 178.328 178.328 179.134 -0.806 18221 1111 1 3 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.322 0.763 18221 1112 1 3 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.230 -1.183 18221 1113 1 3 . 1 1 20 20 ARG H H 11 8.158 8.158 8.573 -0.415 18221 1114 1 3 . 1 1 21 21 ALA N N 12 122.167 122.167 122.953 -0.786 18221 1115 1 3 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.091 0.009 18221 1116 1 3 . 1 1 21 21 ALA C C 12 180.129 180.129 179.517 0.612 18221 1117 1 3 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.774 -0.382 18221 1118 1 3 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.067 -0.653 18221 1119 1 3 . 1 1 21 21 ALA H H 12 7.963 7.963 8.333 -0.370 18221 1120 1 3 . 1 1 22 22 ALA N N 13 122.150 122.150 121.560 0.590 18221 1121 1 3 . 1 1 22 22 ALA HA H 13 4.037 4.037 4.028 0.009 18221 1122 1 3 . 1 1 22 22 ALA C C 13 179.095 179.095 179.990 -0.895 18221 1123 1 3 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.016 -0.300 18221 1124 1 3 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.054 -0.493 18221 1125 1 3 . 1 1 22 22 ALA H H 13 7.881 7.881 8.399 -0.518 18221 1126 1 3 . 1 1 23 23 VAL N N 14 117.107 117.107 119.172 -2.065 18221 1127 1 3 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.557 -0.077 18221 1128 1 3 . 1 1 23 23 VAL C C 14 177.586 177.586 178.248 -0.662 18221 1129 1 3 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.658 0.540 18221 1130 1 3 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.780 -0.260 18221 1131 1 3 . 1 1 23 23 VAL H H 14 7.888 7.888 7.976 -0.088 18221 1132 1 3 . 1 1 24 24 ALA N N 15 121.333 121.333 121.541 -0.208 18221 1133 1 3 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.963 0.018 18221 1134 1 3 . 1 1 24 24 ALA C C 15 180.373 180.373 179.440 0.933 18221 1135 1 3 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.147 -0.136 18221 1136 1 3 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.856 -0.604 18221 1137 1 3 . 1 1 24 24 ALA H H 15 8.037 8.037 7.833 0.204 18221 1138 1 3 . 1 1 25 25 ALA N N 16 121.158 121.158 119.444 1.714 18221 1139 1 3 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.125 0.021 18221 1140 1 3 . 1 1 25 25 ALA C C 16 179.828 179.828 178.718 1.110 18221 1141 1 3 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.818 -0.367 18221 1142 1 3 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.489 -1.002 18221 1143 1 3 . 1 1 25 25 ALA H H 16 7.819 7.819 7.886 -0.067 18221 1144 1 3 . 1 1 26 26 VAL N N 17 118.417 118.417 116.359 2.058 18221 1145 1 3 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.927 -0.149 18221 1146 1 3 . 1 1 26 26 VAL C C 17 178.020 178.020 177.692 0.328 18221 1147 1 3 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.751 1.827 18221 1148 1 3 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.071 -0.986 18221 1149 1 3 . 1 1 26 26 VAL H H 17 7.848 7.848 7.588 0.260 18221 1150 1 3 . 1 1 27 27 VAL N N 18 119.240 119.240 115.689 3.551 18221 1151 1 3 . 1 1 27 27 VAL C C 18 177.719 177.719 176.973 0.746 18221 1152 1 3 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.284 2.707 18221 1153 1 3 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.205 -2.018 18221 1154 1 3 . 1 1 27 27 VAL H H 18 8.377 8.377 7.512 0.865 18221 1155 1 3 . 1 1 28 28 GLY N N 19 106.009 106.009 109.200 -3.191 18221 1156 1 3 . 1 1 28 28 GLY C C 19 176.212 176.212 174.577 1.635 18221 1157 1 3 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.007 0.237 18221 1158 1 3 . 1 1 28 28 GLY H H 19 8.122 8.122 8.009 0.113 18221 1159 1 3 . 1 1 29 29 GLY N N 20 110.216 110.216 113.973 -3.757 18221 1160 1 3 . 1 1 29 29 GLY C C 20 174.097 174.097 175.130 -1.033 18221 1161 1 3 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.568 1.766 18221 1162 1 3 . 1 1 29 29 GLY H H 20 8.039 8.039 7.786 0.253 18221 1163 1 3 . 1 1 30 30 VAL N N 21 121.188 121.188 121.262 -0.074 18221 1164 1 3 . 1 1 30 30 VAL C C 21 177.073 177.073 177.461 -0.388 18221 1165 1 3 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.744 -4.170 18221 1166 1 3 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.741 -0.951 18221 1167 1 3 . 1 1 30 30 VAL H H 21 7.983 7.983 7.515 0.468 18221 1168 1 3 . 1 1 32 32 ALA N N 23 125.091 125.091 121.799 3.292 18221 1169 1 3 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.004 0.256 18221 1170 1 3 . 1 1 32 32 ALA C C 23 179.523 179.523 179.564 -0.041 18221 1171 1 3 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.155 -1.472 18221 1172 1 3 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.043 -1.660 18221 1173 1 3 . 1 1 32 32 ALA H H 23 8.036 8.036 7.963 0.073 18221 1174 1 3 . 1 1 33 33 VAL N N 24 118.793 118.793 117.599 1.194 18221 1175 1 3 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.777 -0.069 18221 1176 1 3 . 1 1 33 33 VAL C C 24 177.901 177.901 178.524 -0.623 18221 1177 1 3 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.548 0.882 18221 1178 1 3 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.638 0.680 18221 1179 1 3 . 1 1 33 33 VAL H H 24 8.195 8.195 8.330 -0.135 18221 1180 1 3 . 1 1 34 34 GLY N N 25 108.367 108.367 108.765 -0.398 18221 1181 1 3 . 1 1 34 34 GLY C C 25 175.424 175.424 175.698 -0.274 18221 1182 1 3 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.516 -0.182 18221 1183 1 3 . 1 1 34 34 GLY H H 25 8.651 8.651 8.305 0.346 18221 1184 1 3 . 1 1 35 35 THR N N 26 116.448 116.448 117.850 -1.402 18221 1185 1 3 . 1 1 35 35 THR C C 26 176.843 176.843 176.840 0.003 18221 1186 1 3 . 1 1 35 35 THR CA C 26 65.962 65.962 66.266 -0.304 18221 1187 1 3 . 1 1 35 35 THR CB C 26 68.414 68.414 68.893 -0.479 18221 1188 1 3 . 1 1 35 35 THR H H 26 7.975 7.975 8.358 -0.383 18221 1189 1 3 . 1 1 36 36 VAL N N 27 122.810 122.810 121.634 1.176 18221 1190 1 3 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.560 0.159 18221 1191 1 3 . 1 1 36 36 VAL C C 27 177.618 177.618 177.618 0.000 18221 1192 1 3 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.353 -0.627 18221 1193 1 3 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.711 -1.044 18221 1194 1 3 . 1 1 36 36 VAL H H 27 7.559 7.559 8.000 -0.441 18221 1195 1 3 . 1 1 37 37 LEU N N 28 119.566 119.566 120.527 -0.961 18221 1196 1 3 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.901 0.052 18221 1197 1 3 . 1 1 37 37 LEU C C 28 179.666 179.666 178.542 1.124 18221 1198 1 3 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.325 -0.480 18221 1199 1 3 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.862 -1.696 18221 1200 1 3 . 1 1 37 37 LEU H H 28 8.086 8.086 7.804 0.282 18221 1201 1 3 . 1 1 38 38 VAL N N 29 119.468 119.468 117.970 1.498 18221 1202 1 3 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.450 0.203 18221 1203 1 3 . 1 1 38 38 VAL C C 29 178.639 178.639 177.994 0.645 18221 1204 1 3 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.515 -1.042 18221 1205 1 3 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.200 -0.591 18221 1206 1 3 . 1 1 38 38 VAL H H 29 8.066 8.066 8.388 -0.322 18221 1207 1 3 . 1 1 39 39 ALA N N 30 124.255 124.255 122.633 1.622 18221 1208 1 3 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.053 0.112 18221 1209 1 3 . 1 1 39 39 ALA C C 30 180.303 180.303 179.563 0.740 18221 1210 1 3 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.257 -0.423 18221 1211 1 3 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.207 -0.499 18221 1212 1 3 . 1 1 39 39 ALA H H 30 7.688 7.688 7.852 -0.164 18221 1213 1 3 . 1 1 40 40 LEU N N 31 118.268 118.268 119.349 -1.081 18221 1214 1 3 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.944 0.197 18221 1215 1 3 . 1 1 40 40 LEU C C 31 179.271 179.271 178.567 0.704 18221 1216 1 3 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.167 -1.089 18221 1217 1 3 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.715 -0.813 18221 1218 1 3 . 1 1 40 40 LEU H H 31 8.326 8.326 8.071 0.255 18221 1219 1 3 . 1 1 41 41 SER N N 32 114.984 114.984 113.183 1.801 18221 1220 1 3 . 1 1 41 41 SER HA H 32 3.952 3.952 3.983 -0.031 18221 1221 1 3 . 1 1 41 41 SER C C 32 176.284 176.284 176.855 -0.571 18221 1222 1 3 . 1 1 41 41 SER CA C 32 60.885 60.885 61.144 -0.259 18221 1223 1 3 . 1 1 41 41 SER CB C 32 62.410 62.410 63.068 -0.658 18221 1224 1 3 . 1 1 41 41 SER H H 32 8.062 8.062 8.101 -0.039 18221 1225 1 3 . 1 1 42 42 ALA N N 33 124.588 124.588 123.075 1.513 18221 1226 1 3 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.078 0.147 18221 1227 1 3 . 1 1 42 42 ALA C C 33 179.033 179.033 179.128 -0.095 18221 1228 1 3 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.602 -0.889 18221 1229 1 3 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.999 -1.070 18221 1230 1 3 . 1 1 42 42 ALA H H 33 7.813 7.813 7.905 -0.092 18221 1231 1 3 . 1 1 43 43 MET N N 34 116.808 116.808 113.569 3.239 18221 1232 1 3 . 1 1 43 43 MET HA H 34 4.285 4.285 3.904 0.381 18221 1233 1 3 . 1 1 43 43 MET C C 34 176.807 176.807 177.136 -0.329 18221 1234 1 3 . 1 1 43 43 MET CA C 34 56.576 56.576 57.889 -1.313 18221 1235 1 3 . 1 1 43 43 MET CB C 34 32.435 32.435 31.657 0.778 18221 1236 1 3 . 1 1 43 43 MET H H 34 7.691 7.691 8.195 -0.504 18221 1237 1 3 . 1 1 44 44 GLY N N 35 107.020 107.020 106.093 0.927 18221 1238 1 3 . 1 1 44 44 GLY C C 35 174.493 174.493 174.129 0.364 18221 1239 1 3 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.686 -0.621 18221 1240 1 3 . 1 1 44 44 GLY H H 35 7.793 7.793 8.493 -0.700 18221 1241 1 3 . 1 1 45 45 PHE N N 36 120.285 120.285 117.403 2.882 18221 1242 1 3 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.934 -0.427 18221 1243 1 3 . 1 1 45 45 PHE C C 36 176.876 176.876 174.110 2.766 18221 1244 1 3 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.054 1.883 18221 1245 1 3 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.768 -0.590 18221 1246 1 3 . 1 1 45 45 PHE H H 36 8.215 8.215 7.719 0.496 18221 1247 1 3 . 1 1 46 46 THR N N 37 114.008 114.008 116.278 -2.270 18221 1248 1 3 . 1 1 46 46 THR HA H 37 4.080 4.080 4.510 -0.430 18221 1249 1 3 . 1 1 46 46 THR C C 37 175.751 175.751 173.224 2.527 18221 1250 1 3 . 1 1 46 46 THR CA C 37 64.220 64.220 60.667 3.553 18221 1251 1 3 . 1 1 46 46 THR CB C 37 68.514 68.514 70.117 -1.603 18221 1252 1 3 . 1 1 46 46 THR H H 37 8.111 8.111 7.750 0.361 18221 1253 1 3 . 1 1 47 47 SER N N 38 116.646 116.646 116.457 0.189 18221 1254 1 3 . 1 1 47 47 SER HA H 38 3.918 3.918 4.437 -0.519 18221 1255 1 3 . 1 1 47 47 SER C C 38 176.744 176.744 175.412 1.332 18221 1256 1 3 . 1 1 47 47 SER CA C 38 59.911 59.911 59.635 0.276 18221 1257 1 3 . 1 1 47 47 SER CB C 38 62.624 62.624 63.285 -0.661 18221 1258 1 3 . 1 1 47 47 SER H H 38 8.079 8.079 8.543 -0.464 18221 1259 1 3 . 1 1 48 48 VAL N N 39 121.929 121.929 123.407 -1.478 18221 1260 1 3 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.838 0.071 18221 1261 1 3 . 1 1 48 48 VAL C C 39 177.033 177.033 177.479 -0.446 18221 1262 1 3 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.102 -1.114 18221 1263 1 3 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.490 -0.823 18221 1264 1 3 . 1 1 48 48 VAL H H 39 7.985 7.985 8.039 -0.054 18221 1265 1 3 . 1 1 49 49 GLY N N 40 108.633 108.633 107.705 0.928 18221 1266 1 3 . 1 1 49 49 GLY C C 40 176.038 176.038 176.792 -0.754 18221 1267 1 3 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.362 -0.497 18221 1268 1 3 . 1 1 49 49 GLY H H 40 8.267 8.267 8.402 -0.135 18221 1269 1 3 . 1 1 50 50 ILE N N 41 122.466 122.466 121.955 0.511 18221 1270 1 3 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.673 0.198 18221 1271 1 3 . 1 1 50 50 ILE C C 41 178.363 178.363 177.849 0.514 18221 1272 1 3 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.569 -0.054 18221 1273 1 3 . 1 1 50 50 ILE CB C 41 37.238 37.238 36.903 0.335 18221 1274 1 3 . 1 1 50 50 ILE H H 41 7.865 7.865 7.921 -0.056 18221 1275 1 3 . 1 1 51 51 ALA N N 42 125.064 125.064 121.526 3.538 18221 1276 1 3 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.977 0.122 18221 1277 1 3 . 1 1 51 51 ALA C C 42 179.385 179.385 179.556 -0.171 18221 1278 1 3 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.145 -0.665 18221 1279 1 3 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.980 -0.493 18221 1280 1 3 . 1 1 51 51 ALA H H 42 7.930 7.930 8.189 -0.259 18221 1281 1 3 . 1 1 52 52 ALA N N 43 120.594 120.594 120.476 0.118 18221 1282 1 3 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.107 -0.170 18221 1283 1 3 . 1 1 52 52 ALA C C 43 179.088 179.088 179.921 -0.833 18221 1284 1 3 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.771 0.329 18221 1285 1 3 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.111 -0.476 18221 1286 1 3 . 1 1 52 52 ALA H H 43 8.639 8.639 8.146 0.493 18221 1287 1 3 . 1 1 53 53 SER N N 44 113.012 113.012 115.163 -2.151 18221 1288 1 3 . 1 1 53 53 SER HA H 44 3.966 3.966 4.283 -0.317 18221 1289 1 3 . 1 1 53 53 SER C C 44 176.898 176.898 176.604 0.294 18221 1290 1 3 . 1 1 53 53 SER CA C 44 61.139 61.139 61.250 -0.111 18221 1291 1 3 . 1 1 53 53 SER CB C 44 62.347 62.347 62.736 -0.389 18221 1292 1 3 . 1 1 53 53 SER H H 44 8.193 8.193 8.093 0.100 18221 1293 1 3 . 1 1 54 54 SER N N 45 118.714 118.714 118.780 -0.066 18221 1294 1 3 . 1 1 54 54 SER HA H 45 3.975 3.975 4.175 -0.200 18221 1295 1 3 . 1 1 54 54 SER C C 45 177.131 177.131 176.919 0.212 18221 1296 1 3 . 1 1 54 54 SER CA C 45 61.210 61.210 61.952 -0.742 18221 1297 1 3 . 1 1 54 54 SER CB C 45 62.255 62.255 62.816 -0.562 18221 1298 1 3 . 1 1 54 54 SER H H 45 7.944 7.944 8.267 -0.323 18221 1299 1 3 . 1 1 55 55 ILE N N 46 122.912 122.912 121.201 1.711 18221 1300 1 3 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.724 0.033 18221 1301 1 3 . 1 1 55 55 ILE C C 46 177.813 177.813 176.373 1.440 18221 1302 1 3 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.270 -0.079 18221 1303 1 3 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.969 -1.043 18221 1304 1 3 . 1 1 55 55 ILE H H 46 8.028 8.028 8.063 -0.035 18221 1305 1 3 . 1 1 56 56 ALA N N 47 122.990 122.990 120.768 2.222 18221 1306 1 3 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.063 -0.107 18221 1307 1 3 . 1 1 56 56 ALA C C 47 180.294 180.294 178.970 1.324 18221 1308 1 3 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.579 -0.241 18221 1309 1 3 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.826 -1.124 18221 1310 1 3 . 1 1 56 56 ALA H H 47 8.333 8.333 7.695 0.638 18221 1311 1 3 . 1 1 57 57 ALA N N 48 121.988 121.988 119.815 2.173 18221 1312 1 3 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.126 -0.058 18221 1313 1 3 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.807 0.614 18221 1314 1 3 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.232 -1.530 18221 1315 1 3 . 1 1 57 57 ALA H H 48 7.879 7.879 7.929 -0.050 18221 1316 1 3 . 1 1 58 58 LYS N N 49 119.094 119.094 113.779 5.315 18221 1317 1 3 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.940 0.206 18221 1318 1 3 . 1 1 58 58 LYS C C 49 179.649 179.649 176.150 3.499 18221 1319 1 3 . 1 1 58 58 LYS CA C 49 57.157 57.157 58.825 -1.669 18221 1320 1 3 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.564 -0.234 18221 1321 1 3 . 1 1 58 58 LYS H H 49 7.727 7.727 8.494 -0.767 18221 1322 1 3 . 1 1 59 59 MET N N 50 120.498 120.498 118.289 2.209 18221 1323 1 3 . 1 1 59 59 MET HA H 50 4.156 4.156 4.623 -0.467 18221 1324 1 3 . 1 1 59 59 MET C C 50 177.949 177.949 176.187 1.762 18221 1325 1 3 . 1 1 59 59 MET CA C 50 57.136 57.136 55.234 1.902 18221 1326 1 3 . 1 1 59 59 MET CB C 50 31.922 31.922 34.020 -2.098 18221 1327 1 3 . 1 1 59 59 MET H H 50 8.395 8.395 8.240 0.155 18221 1328 1 3 . 1 1 60 60 MET N N 51 117.689 117.689 123.045 -5.356 18221 1329 1 3 . 1 1 60 60 MET HA H 51 4.222 4.222 4.122 0.100 18221 1330 1 3 . 1 1 60 60 MET C C 51 177.674 177.674 174.812 2.862 18221 1331 1 3 . 1 1 60 60 MET CA C 51 57.638 57.638 56.570 1.068 18221 1332 1 3 . 1 1 60 60 MET CB C 51 31.785 31.785 31.286 0.499 18221 1333 1 3 . 1 1 60 60 MET H H 51 8.234 8.234 8.591 -0.357 18221 1334 1 3 . 1 1 61 61 SER N N 52 114.385 114.385 117.588 -3.203 18221 1335 1 3 . 1 1 61 61 SER HA H 52 4.001 4.001 4.746 -0.745 18221 1336 1 3 . 1 1 61 61 SER C C 52 176.079 176.079 173.768 2.311 18221 1337 1 3 . 1 1 61 61 SER CA C 52 59.911 59.911 58.427 1.484 18221 1338 1 3 . 1 1 61 61 SER CB C 52 62.624 62.624 64.257 -1.633 18221 1339 1 3 . 1 1 61 61 SER H H 52 7.893 7.893 8.109 -0.216 18221 1340 1 3 . 1 1 62 62 THR N N 53 117.304 117.304 119.434 -2.130 18221 1341 1 3 . 1 1 62 62 THR HA H 53 4.104 4.104 4.570 -0.466 18221 1342 1 3 . 1 1 62 62 THR C C 53 175.436 175.436 172.725 2.711 18221 1343 1 3 . 1 1 62 62 THR CA C 53 64.220 64.220 62.105 2.115 18221 1344 1 3 . 1 1 62 62 THR CB C 53 68.514 68.514 69.725 -1.211 18221 1345 1 3 . 1 1 62 62 THR H H 53 7.794 7.794 8.038 -0.244 18221 1346 1 3 . 1 1 63 63 ALA N N 54 125.382 125.382 123.690 1.692 18221 1347 1 3 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.654 -0.560 18221 1348 1 3 . 1 1 63 63 ALA C C 54 178.328 178.328 176.264 2.064 18221 1349 1 3 . 1 1 63 63 ALA CA C 54 54.096 54.096 51.626 2.470 18221 1350 1 3 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.305 -2.597 18221 1351 1 3 . 1 1 63 63 ALA H H 54 8.204 8.204 8.183 0.021 18221 1352 1 3 . 1 1 64 64 ALA N N 55 119.929 119.929 123.167 -3.238 18221 1353 1 3 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.116 0.009 18221 1354 1 3 . 1 1 64 64 ALA C C 55 179.183 179.183 176.822 2.361 18221 1355 1 3 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.525 1.512 18221 1356 1 3 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.223 -0.515 18221 1357 1 3 . 1 1 64 64 ALA H H 55 7.951 7.951 8.197 -0.246 18221 1358 1 3 . 1 1 65 65 ILE N N 56 117.016 117.016 120.767 -3.751 18221 1359 1 3 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.063 -0.113 18221 1360 1 3 . 1 1 65 65 ILE C C 56 177.222 177.222 175.481 1.741 18221 1361 1 3 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.519 0.665 18221 1362 1 3 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.170 0.903 18221 1363 1 3 . 1 1 65 65 ILE H H 56 7.561 7.561 8.145 -0.584 18221 1364 1 3 . 1 1 66 66 ALA N N 57 124.191 124.191 129.152 -4.961 18221 1365 1 3 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.612 -0.435 18221 1366 1 3 . 1 1 66 66 ALA C C 57 178.190 178.190 176.377 1.813 18221 1367 1 3 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.104 1.432 18221 1368 1 3 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.543 -1.614 18221 1369 1 3 . 1 1 66 66 ALA H H 57 7.982 7.982 7.704 0.278 18221 1370 1 3 . 1 1 67 67 ASN N N 58 116.132 116.132 119.411 -3.279 18221 1371 1 3 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.482 0.191 18221 1372 1 3 . 1 1 67 67 ASN C C 58 176.344 176.344 174.299 2.045 18221 1373 1 3 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.769 -0.292 18221 1374 1 3 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.485 -0.013 18221 1375 1 3 . 1 1 67 67 ASN H H 58 8.113 8.113 8.486 -0.373 18221 1376 1 3 . 1 1 68 68 GLY N N 59 108.808 108.808 107.168 1.640 18221 1377 1 3 . 1 1 68 68 GLY C C 59 174.958 174.958 172.975 1.983 18221 1378 1 3 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.660 0.994 18221 1379 1 3 . 1 1 68 68 GLY H H 59 8.152 8.152 7.873 0.279 18221 1380 1 3 . 1 1 69 69 GLY N N 60 108.832 108.832 107.857 0.975 18221 1381 1 3 . 1 1 69 69 GLY C C 60 174.631 174.631 174.859 -0.228 18221 1382 1 3 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.547 -0.128 18221 1383 1 3 . 1 1 69 69 GLY H H 60 8.218 8.218 8.414 -0.196 18221 1384 1 3 . 1 1 70 70 GLY N N 61 108.966 108.966 112.164 -3.198 18221 1385 1 3 . 1 1 70 70 GLY C C 61 174.594 174.594 173.775 0.819 18221 1386 1 3 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.876 0.485 18221 1387 1 3 . 1 1 70 70 GLY H H 61 8.175 8.175 7.599 0.576 18221 1388 1 3 . 1 1 71 71 VAL N N 62 120.209 120.209 116.083 4.126 18221 1389 1 3 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.288 -0.282 18221 1390 1 3 . 1 1 71 71 VAL C C 62 176.077 176.077 177.359 -1.282 18221 1391 1 3 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.323 0.067 18221 1392 1 3 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.018 -0.320 18221 1393 1 3 . 1 1 71 71 VAL H H 62 7.882 7.882 8.217 -0.335 18221 1394 1 3 . 1 1 72 72 ALA N N 63 126.966 126.966 124.115 2.851 18221 1395 1 3 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.042 -0.016 18221 1396 1 3 . 1 1 72 72 ALA C C 63 178.064 178.064 177.488 0.576 18221 1397 1 3 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.790 -1.287 18221 1398 1 3 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.634 -0.409 18221 1399 1 3 . 1 1 72 72 ALA H H 63 8.237 8.237 8.073 0.164 18221 1400 1 3 . 1 1 73 73 ALA N N 64 123.432 123.432 120.198 3.234 18221 1401 1 3 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.100 -0.085 18221 1402 1 3 . 1 1 73 73 ALA C C 64 178.995 178.995 177.145 1.850 18221 1403 1 3 . 1 1 73 73 ALA CA C 64 54.421 54.421 53.040 1.381 18221 1404 1 3 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.120 -1.117 18221 1405 1 3 . 1 1 73 73 ALA H H 64 8.421 8.421 7.860 0.561 18221 1406 1 3 . 1 1 74 74 GLY N N 65 105.577 105.577 108.193 -2.616 18221 1407 1 3 . 1 1 74 74 GLY C C 65 176.367 176.367 175.251 1.116 18221 1408 1 3 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.292 1.952 18221 1409 1 3 . 1 1 74 74 GLY H H 65 8.448 8.448 7.863 0.585 18221 1410 1 3 . 1 1 75 75 SER N N 66 117.656 117.656 116.292 1.364 18221 1411 1 3 . 1 1 75 75 SER HA H 66 4.394 4.394 4.202 0.192 18221 1412 1 3 . 1 1 75 75 SER C C 66 176.329 176.329 176.339 -0.010 18221 1413 1 3 . 1 1 75 75 SER CA C 66 60.236 60.236 61.710 -1.474 18221 1414 1 3 . 1 1 75 75 SER CB C 66 62.476 62.476 63.122 -0.646 18221 1415 1 3 . 1 1 75 75 SER H H 66 7.899 7.899 8.698 -0.799 18221 1416 1 3 . 1 1 76 76 LEU N N 67 122.743 122.743 122.347 0.396 18221 1417 1 3 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.021 0.029 18221 1418 1 3 . 1 1 76 76 LEU C C 67 178.442 178.442 178.354 0.088 18221 1419 1 3 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.815 -0.295 18221 1420 1 3 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.904 -1.223 18221 1421 1 3 . 1 1 76 76 LEU H H 67 7.955 7.955 7.862 0.093 18221 1422 1 3 . 1 1 77 77 VAL N N 68 118.400 118.400 118.932 -0.532 18221 1423 1 3 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.541 -0.070 18221 1424 1 3 . 1 1 77 77 VAL C C 68 177.297 177.297 177.336 -0.039 18221 1425 1 3 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.962 0.708 18221 1426 1 3 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.099 -0.579 18221 1427 1 3 . 1 1 77 77 VAL H H 68 8.039 8.039 8.090 -0.051 18221 1428 1 3 . 1 1 78 78 ALA N N 69 121.927 121.927 122.041 -0.114 18221 1429 1 3 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.983 0.222 18221 1430 1 3 . 1 1 78 78 ALA C C 69 181.258 181.258 179.641 1.617 18221 1431 1 3 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.408 -0.426 18221 1432 1 3 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.946 -0.532 18221 1433 1 3 . 1 1 78 78 ALA H H 69 7.631 7.631 7.970 -0.339 18221 1434 1 3 . 1 1 79 79 ILE N N 70 119.782 119.782 119.497 0.285 18221 1435 1 3 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.834 -0.038 18221 1436 1 3 . 1 1 79 79 ILE C C 70 178.253 178.253 177.576 0.677 18221 1437 1 3 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.881 0.471 18221 1438 1 3 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.321 -1.248 18221 1439 1 3 . 1 1 79 79 ILE H H 70 7.841 7.841 7.695 0.146 18221 1440 1 3 . 1 1 80 80 LEU N N 71 120.841 120.841 121.699 -0.858 18221 1441 1 3 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.762 0.175 18221 1442 1 3 . 1 1 80 80 LEU C C 71 179.234 179.234 178.395 0.839 18221 1443 1 3 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.349 -0.504 18221 1444 1 3 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.755 -1.736 18221 1445 1 3 . 1 1 80 80 LEU H H 71 8.190 8.190 8.162 0.028 18221 1446 1 3 . 1 1 81 81 GLN N N 72 117.558 117.558 117.606 -0.048 18221 1447 1 3 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.957 0.012 18221 1448 1 3 . 1 1 81 81 GLN C C 72 178.530 178.530 178.566 -0.036 18221 1449 1 3 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.123 -0.304 18221 1450 1 3 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.637 -1.357 18221 1451 1 3 . 1 1 81 81 GLN H H 72 8.489 8.489 8.546 -0.057 18221 1452 1 3 . 1 1 82 82 SER N N 73 116.103 116.103 115.954 0.149 18221 1453 1 3 . 1 1 82 82 SER HA H 73 4.233 4.233 4.117 0.116 18221 1454 1 3 . 1 1 82 82 SER C C 73 177.243 177.243 176.707 0.536 18221 1455 1 3 . 1 1 82 82 SER CA C 73 61.044 61.044 61.855 -0.811 18221 1456 1 3 . 1 1 82 82 SER CB C 73 62.257 62.257 63.094 -0.837 18221 1457 1 3 . 1 1 82 82 SER H H 73 7.855 7.855 8.089 -0.234 18221 1458 1 3 . 1 1 83 83 VAL N N 74 120.362 120.362 120.665 -0.303 18221 1459 1 3 . 1 1 83 83 VAL C C 74 177.979 177.979 177.571 0.408 18221 1460 1 3 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.868 -0.762 18221 1461 1 3 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.430 -0.689 18221 1462 1 3 . 1 1 83 83 VAL H H 74 8.030 8.030 8.182 -0.152 18221 1463 1 3 . 1 1 84 84 GLY N N 75 108.223 108.223 107.456 0.767 18221 1464 1 3 . 1 1 84 84 GLY C C 75 174.913 174.913 175.555 -0.642 18221 1465 1 3 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.084 -0.307 18221 1466 1 3 . 1 1 84 84 GLY H H 75 8.369 8.369 7.799 0.570 18221 1467 1 3 . 1 1 85 85 ALA N N 76 123.550 123.550 124.355 -0.805 18221 1468 1 3 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.090 0.004 18221 1469 1 3 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.798 -0.200 18221 1470 1 3 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.280 -0.657 18221 1471 1 3 . 1 1 85 85 ALA H H 76 8.115 8.115 8.388 -0.273 18221 1472 1 3 . 1 1 86 86 ALA N N 77 120.410 120.410 120.910 -0.500 18221 1473 1 3 . 1 1 86 86 ALA C C 77 178.988 178.988 179.494 -0.506 18221 1474 1 3 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.380 -0.544 18221 1475 1 3 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.956 -0.446 18221 1476 1 3 . 1 1 86 86 ALA H H 77 8.632 8.632 8.365 0.267 18221 1477 1 3 . 1 1 87 87 GLY N N 78 105.706 105.706 106.998 -1.292 18221 1478 1 3 . 1 1 87 87 GLY C C 78 175.939 175.939 175.833 0.106 18221 1479 1 3 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.828 -0.710 18221 1480 1 3 . 1 1 87 87 GLY H H 78 8.196 8.196 7.799 0.397 18221 1481 1 3 . 1 1 88 88 LEU N N 79 124.128 124.128 121.790 2.338 18221 1482 1 3 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.653 -0.251 18221 1483 1 3 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.881 -1.494 18221 1484 1 3 . 1 1 88 88 LEU H H 79 8.449 8.449 7.968 0.481 18221 1485 1 3 . 1 1 89 89 SER N N 80 116.251 116.251 114.838 1.413 18221 1486 1 3 . 1 1 89 89 SER C C 80 179.153 179.153 176.664 2.489 18221 1487 1 3 . 1 1 89 89 SER CA C 80 61.023 61.023 61.714 -0.691 18221 1488 1 3 . 1 1 89 89 SER CB C 80 62.255 62.255 62.578 -0.323 18221 1489 1 3 . 1 1 89 89 SER H H 80 8.120 8.120 8.244 -0.124 18221 1490 1 3 . 1 1 90 90 VAL N N 81 119.310 119.310 121.891 -2.581 18221 1491 1 3 . 1 1 90 90 VAL C C 81 177.652 177.652 177.805 -0.153 18221 1492 1 3 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.772 -0.696 18221 1493 1 3 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.760 -0.430 18221 1494 1 3 . 1 1 90 90 VAL H H 81 7.955 7.955 8.133 -0.178 18221 1495 1 3 . 1 1 91 91 THR N N 82 115.535 115.535 116.258 -0.723 18221 1496 1 3 . 1 1 91 91 THR C C 82 176.571 176.571 176.655 -0.084 18221 1497 1 3 . 1 1 91 91 THR CA C 82 66.434 66.434 67.190 -0.756 18221 1498 1 3 . 1 1 91 91 THR CB C 82 67.742 67.742 68.484 -0.742 18221 1499 1 3 . 1 1 91 91 THR H H 82 7.888 7.888 8.432 -0.544 18221 1500 1 3 . 1 1 92 92 SER N N 83 116.537 116.537 117.710 -1.173 18221 1501 1 3 . 1 1 92 92 SER HA H 83 4.040 4.040 3.973 0.067 18221 1502 1 3 . 1 1 92 92 SER C C 83 176.761 176.761 176.301 0.460 18221 1503 1 3 . 1 1 92 92 SER CA C 83 61.564 61.564 62.181 -0.617 18221 1504 1 3 . 1 1 92 92 SER CB C 83 62.009 62.009 63.062 -1.053 18221 1505 1 3 . 1 1 92 92 SER H H 83 8.212 8.212 8.124 0.088 18221 1506 1 3 . 1 1 93 93 LYS N N 84 122.353 122.353 121.535 0.818 18221 1507 1 3 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.977 0.142 18221 1508 1 3 . 1 1 93 93 LYS C C 84 172.812 172.812 179.027 -6.215 18221 1509 1 3 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.482 -1.047 18221 1510 1 3 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.403 -0.926 18221 1511 1 3 . 1 1 93 93 LYS H H 84 7.642 7.642 8.274 -0.632 18221 1512 1 3 . 1 1 94 94 VAL N N 85 119.348 119.348 118.534 0.814 18221 1513 1 3 . 1 1 94 94 VAL C C 85 177.948 177.948 176.794 1.154 18221 1514 1 3 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.954 0.435 18221 1515 1 3 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.979 -0.133 18221 1516 1 3 . 1 1 94 94 VAL H H 85 8.414 8.414 7.708 0.706 18221 1517 1 3 . 1 1 95 95 ILE N N 86 118.769 118.769 117.471 1.298 18221 1518 1 3 . 1 1 95 95 ILE C C 86 177.972 177.972 176.582 1.390 18221 1519 1 3 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.381 1.456 18221 1520 1 3 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.546 -1.914 18221 1521 1 3 . 1 1 95 95 ILE H H 86 8.169 8.169 7.713 0.456 18221 1522 1 3 . 1 1 96 96 GLY N N 87 107.955 107.955 105.530 2.425 18221 1523 1 3 . 1 1 96 96 GLY C C 87 176.571 176.571 174.067 2.504 18221 1524 1 3 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.682 1.829 18221 1525 1 3 . 1 1 96 96 GLY H H 87 8.182 8.182 8.331 -0.149 18221 1526 1 3 . 1 1 97 97 GLY N N 88 109.117 109.117 110.409 -1.292 18221 1527 1 3 . 1 1 97 97 GLY C C 88 175.524 175.524 173.332 2.192 18221 1528 1 3 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.635 -0.803 18221 1529 1 3 . 1 1 97 97 GLY H H 88 7.953 7.953 7.948 0.005 18221 1530 1 3 . 1 1 98 98 PHE N N 89 121.100 121.100 122.727 -1.627 18221 1531 1 3 . 1 1 98 98 PHE C C 89 176.367 176.367 174.064 2.303 18221 1532 1 3 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.657 -0.757 18221 1533 1 3 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.941 -1.109 18221 1534 1 3 . 1 1 98 98 PHE H H 89 8.000 8.000 8.254 -0.254 18221 1535 1 3 . 1 1 99 99 ALA N N 90 122.834 122.834 127.989 -5.155 18221 1536 1 3 . 1 1 99 99 ALA C C 90 178.348 178.348 177.158 1.190 18221 1537 1 3 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.003 3.274 18221 1538 1 3 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.222 -2.808 18221 1539 1 3 . 1 1 99 99 ALA H H 90 8.322 8.322 8.537 -0.215 18221 1540 1 3 . 1 1 100 100 GLY N N 91 106.688 106.688 108.663 -1.975 18221 1541 1 3 . 1 1 100 100 GLY C C 91 175.878 175.878 175.244 0.634 18221 1542 1 3 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.401 0.225 18221 1543 1 3 . 1 1 100 100 GLY H H 91 8.000 8.000 8.656 -0.656 18221 1544 1 3 . 1 1 101 101 THR N N 92 115.689 115.689 114.978 0.711 18221 1545 1 3 . 1 1 101 101 THR C C 92 178.476 178.476 173.360 5.116 18221 1546 1 3 . 1 1 101 101 THR CA C 92 63.364 63.364 63.208 0.156 18221 1547 1 3 . 1 1 101 101 THR CB C 92 69.619 69.619 68.694 0.925 18221 1548 1 3 . 1 1 101 101 THR H H 92 7.754 7.754 8.017 -0.263 18221 1549 1 3 . 1 1 102 102 ALA N N 93 124.835 124.835 126.346 -1.511 18221 1550 1 3 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.112 2.199 18221 1551 1 3 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.713 -3.034 18221 1552 1 3 . 1 1 102 102 ALA H H 93 7.919 7.919 8.037 -0.118 18221 1553 1 3 . 1 1 103 103 LEU N N 94 117.445 117.445 120.671 -3.226 18221 1554 1 3 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.219 1.563 18221 1555 1 3 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.827 -0.925 18221 1556 1 3 . 1 1 103 103 LEU H H 94 8.037 8.037 8.489 -0.452 18221 1557 1 3 . 1 1 104 104 GLY N N 95 106.296 106.296 108.805 -2.509 18221 1558 1 3 . 1 1 104 104 GLY C C 95 175.851 175.851 173.522 2.329 18221 1559 1 3 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.566 2.004 18221 1560 1 3 . 1 1 104 104 GLY H H 95 7.900 7.900 8.129 -0.229 18221 1561 1 3 . 1 1 105 105 ALA N N 96 123.872 123.872 125.292 -1.420 18221 1562 1 3 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.032 2.094 18221 1563 1 3 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.671 -2.083 18221 1564 1 3 . 1 1 105 105 ALA H H 96 7.804 7.804 7.864 -0.060 18221 1565 1 3 . 1 1 106 106 TRP N N 97 120.348 120.348 121.136 -0.788 18221 1566 1 3 . 1 1 106 106 TRP C C 97 176.857 176.857 175.335 1.522 18221 1567 1 3 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.812 1.088 18221 1568 1 3 . 1 1 106 106 TRP H H 97 8.385 8.385 8.514 -0.129 18221 1569 1 3 . 1 1 107 107 LEU N N 98 117.756 117.756 121.017 -3.261 18221 1570 1 3 . 1 1 107 107 LEU C C 98 177.659 177.659 175.657 2.002 18221 1571 1 3 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.474 -0.371 18221 1572 1 3 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.057 -0.639 18221 1573 1 3 . 1 1 107 107 LEU H H 98 7.880 7.880 7.896 -0.016 18221 1574 1 3 . 1 1 108 108 GLY N N 99 107.285 107.285 109.698 -2.413 18221 1575 1 3 . 1 1 108 108 GLY C C 99 173.815 173.815 174.198 -0.383 18221 1576 1 3 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.673 0.274 18221 1577 1 3 . 1 1 108 108 GLY H H 99 7.694 7.694 8.315 -0.621 18221 1578 1 3 . 1 1 109 109 SER N N 100 117.139 117.139 118.770 -1.631 18221 1579 1 3 . 1 1 109 109 SER C C 100 172.179 172.179 172.902 -0.723 18221 1580 1 3 . 1 1 109 109 SER CA C 100 56.015 56.015 57.618 -1.603 18221 1581 1 3 . 1 1 109 109 SER CB C 100 62.771 62.771 62.288 0.483 18221 1582 1 3 . 1 1 109 109 SER H H 100 8.030 8.030 8.268 -0.238 18221 1583 1 3 . 1 1 111 111 PRO C C 102 177.073 177.073 176.615 0.458 18221 1584 1 3 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.884 -0.685 18221 1585 1 3 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.420 -0.209 18221 1586 1 3 . 1 1 112 112 SER N N 103 117.115 117.115 119.192 -2.077 18221 1587 1 3 . 1 1 112 112 SER C C 103 173.898 173.898 174.419 -0.521 18221 1588 1 3 . 1 1 112 112 SER CA C 103 57.904 57.904 58.722 -0.818 18221 1589 1 3 . 1 1 112 112 SER CB C 103 63.360 63.360 62.959 0.401 18221 1590 1 3 . 1 1 112 112 SER H H 103 8.345 8.345 8.543 -0.198 18221 1591 1 4 . 1 1 11 11 GLY N N 2 109.366 109.366 111.221 -1.855 18221 1592 1 4 . 1 1 11 11 GLY C C 2 174.543 174.543 173.545 0.998 18221 1593 1 4 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.178 0.517 18221 1594 1 4 . 1 1 11 11 GLY H H 2 8.271 8.271 8.904 -0.633 18221 1595 1 4 . 1 1 12 12 LYS N N 3 121.129 121.129 120.075 1.054 18221 1596 1 4 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.266 -0.134 18221 1597 1 4 . 1 1 12 12 LYS C C 3 177.234 177.234 178.247 -1.013 18221 1598 1 4 . 1 1 12 12 LYS CA C 3 56.812 56.812 58.752 -1.940 18221 1599 1 4 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.508 -0.662 18221 1600 1 4 . 1 1 12 12 LYS H H 3 8.057 8.057 8.451 -0.394 18221 1601 1 4 . 1 1 13 13 GLU N N 4 120.318 120.318 117.544 2.774 18221 1602 1 4 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.112 0.043 18221 1603 1 4 . 1 1 13 13 GLU C C 4 176.857 176.857 175.644 1.213 18221 1604 1 4 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.968 -1.097 18221 1605 1 4 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.805 -1.417 18221 1606 1 4 . 1 1 13 13 GLU H H 4 8.398 8.398 8.440 -0.042 18221 1607 1 4 . 1 1 14 14 SER N N 5 115.504 115.504 112.078 3.426 18221 1608 1 4 . 1 1 14 14 SER HA H 5 3.843 3.843 4.268 -0.425 18221 1609 1 4 . 1 1 14 14 SER C C 5 175.337 175.337 174.288 1.049 18221 1610 1 4 . 1 1 14 14 SER CA C 5 58.524 58.524 58.577 -0.053 18221 1611 1 4 . 1 1 14 14 SER CB C 5 63.360 63.360 62.523 0.838 18221 1612 1 4 . 1 1 14 14 SER H H 5 8.089 8.089 8.326 -0.237 18221 1613 1 4 . 1 1 15 15 GLY N N 6 110.761 110.761 110.583 0.178 18221 1614 1 4 . 1 1 15 15 GLY C C 6 174.581 174.581 173.056 1.525 18221 1615 1 4 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.956 0.610 18221 1616 1 4 . 1 1 15 15 GLY H H 6 8.197 8.197 8.101 0.096 18221 1617 1 4 . 1 1 16 16 TRP N N 7 121.800 121.800 121.307 0.493 18221 1618 1 4 . 1 1 16 16 TRP HA H 7 4.560 4.560 5.081 -0.521 18221 1619 1 4 . 1 1 16 16 TRP C C 7 176.920 176.920 174.162 2.758 18221 1620 1 4 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.173 0.908 18221 1621 1 4 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.931 -2.252 18221 1622 1 4 . 1 1 16 16 TRP H H 7 8.184 8.184 8.543 -0.359 18221 1623 1 4 . 1 1 17 17 ASP N N 8 121.132 121.132 124.853 -3.721 18221 1624 1 4 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.834 -0.439 18221 1625 1 4 . 1 1 17 17 ASP C C 8 176.941 176.941 174.983 1.958 18221 1626 1 4 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.395 1.849 18221 1627 1 4 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.420 -1.475 18221 1628 1 4 . 1 1 17 17 ASP H H 8 8.332 8.332 8.234 0.098 18221 1629 1 4 . 1 1 18 18 SER N N 9 116.148 116.148 116.175 -0.027 18221 1630 1 4 . 1 1 18 18 SER HA H 9 3.861 3.861 4.554 -0.693 18221 1631 1 4 . 1 1 18 18 SER CA C 9 60.081 60.081 57.996 2.085 18221 1632 1 4 . 1 1 18 18 SER CB C 9 62.255 62.255 64.048 -1.793 18221 1633 1 4 . 1 1 18 18 SER H H 9 8.129 8.129 7.957 0.172 18221 1634 1 4 . 1 1 19 19 GLY N N 10 110.747 110.747 109.417 1.330 18221 1635 1 4 . 1 1 19 19 GLY C C 10 174.682 174.682 174.956 -0.274 18221 1636 1 4 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.882 1.718 18221 1637 1 4 . 1 1 19 19 GLY H H 10 8.216 8.216 7.911 0.305 18221 1638 1 4 . 1 1 20 20 ARG N N 11 121.405 121.405 120.177 1.228 18221 1639 1 4 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.938 -0.081 18221 1640 1 4 . 1 1 20 20 ARG C C 11 178.328 178.328 177.997 0.331 18221 1641 1 4 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.653 0.432 18221 1642 1 4 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.500 -0.453 18221 1643 1 4 . 1 1 20 20 ARG H H 11 8.158 8.158 8.697 -0.539 18221 1644 1 4 . 1 1 21 21 ALA N N 12 122.167 122.167 121.798 0.369 18221 1645 1 4 . 1 1 21 21 ALA HA H 12 4.100 4.100 3.978 0.122 18221 1646 1 4 . 1 1 21 21 ALA C C 12 180.129 180.129 179.418 0.711 18221 1647 1 4 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.379 0.013 18221 1648 1 4 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.798 -0.384 18221 1649 1 4 . 1 1 21 21 ALA H H 12 7.963 7.963 8.264 -0.301 18221 1650 1 4 . 1 1 22 22 ALA N N 13 122.150 122.150 121.571 0.579 18221 1651 1 4 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.862 0.175 18221 1652 1 4 . 1 1 22 22 ALA C C 13 179.095 179.095 179.665 -0.570 18221 1653 1 4 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.943 -0.227 18221 1654 1 4 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.806 -0.245 18221 1655 1 4 . 1 1 22 22 ALA H H 13 7.881 7.881 7.993 -0.112 18221 1656 1 4 . 1 1 23 23 VAL N N 14 117.107 117.107 118.752 -1.645 18221 1657 1 4 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.489 -0.009 18221 1658 1 4 . 1 1 23 23 VAL C C 14 177.586 177.586 177.942 -0.356 18221 1659 1 4 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.989 0.209 18221 1660 1 4 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.406 -0.886 18221 1661 1 4 . 1 1 23 23 VAL H H 14 7.888 7.888 8.035 -0.147 18221 1662 1 4 . 1 1 24 24 ALA N N 15 121.333 121.333 121.622 -0.289 18221 1663 1 4 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.960 0.021 18221 1664 1 4 . 1 1 24 24 ALA C C 15 180.373 180.373 179.326 1.047 18221 1665 1 4 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.041 -0.030 18221 1666 1 4 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.877 -0.625 18221 1667 1 4 . 1 1 24 24 ALA H H 15 8.037 8.037 7.773 0.264 18221 1668 1 4 . 1 1 25 25 ALA N N 16 121.158 121.158 118.953 2.205 18221 1669 1 4 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.077 0.069 18221 1670 1 4 . 1 1 25 25 ALA C C 16 179.828 179.828 178.625 1.203 18221 1671 1 4 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.561 -0.110 18221 1672 1 4 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.602 -1.115 18221 1673 1 4 . 1 1 25 25 ALA H H 16 7.819 7.819 7.838 -0.019 18221 1674 1 4 . 1 1 26 26 VAL N N 17 118.417 118.417 117.433 0.984 18221 1675 1 4 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.801 -0.023 18221 1676 1 4 . 1 1 26 26 VAL C C 17 178.020 178.020 177.320 0.700 18221 1677 1 4 . 1 1 26 26 VAL CA C 17 65.578 65.578 65.150 0.428 18221 1678 1 4 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.006 -0.921 18221 1679 1 4 . 1 1 26 26 VAL H H 17 7.848 7.848 7.527 0.321 18221 1680 1 4 . 1 1 27 27 VAL N N 18 119.240 119.240 120.182 -0.942 18221 1681 1 4 . 1 1 27 27 VAL C C 18 177.719 177.719 176.141 1.578 18221 1682 1 4 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.326 1.665 18221 1683 1 4 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.014 -1.827 18221 1684 1 4 . 1 1 27 27 VAL H H 18 8.377 8.377 7.610 0.767 18221 1685 1 4 . 1 1 28 28 GLY N N 19 106.009 106.009 106.275 -0.266 18221 1686 1 4 . 1 1 28 28 GLY C C 19 176.212 176.212 173.711 2.501 18221 1687 1 4 . 1 1 28 28 GLY CA C 19 46.244 46.244 44.656 1.588 18221 1688 1 4 . 1 1 28 28 GLY H H 19 8.122 8.122 7.107 1.015 18221 1689 1 4 . 1 1 29 29 GLY N N 20 110.216 110.216 112.565 -2.349 18221 1690 1 4 . 1 1 29 29 GLY C C 20 174.097 174.097 175.383 -1.286 18221 1691 1 4 . 1 1 29 29 GLY CA C 20 46.334 46.334 45.377 0.957 18221 1692 1 4 . 1 1 29 29 GLY H H 20 8.039 8.039 8.019 0.020 18221 1693 1 4 . 1 1 30 30 VAL N N 21 121.188 121.188 122.587 -1.399 18221 1694 1 4 . 1 1 30 30 VAL C C 21 177.073 177.073 177.087 -0.014 18221 1695 1 4 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.580 -4.006 18221 1696 1 4 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.896 -1.106 18221 1697 1 4 . 1 1 30 30 VAL H H 21 7.983 7.983 7.969 0.014 18221 1698 1 4 . 1 1 32 32 ALA N N 23 125.091 125.091 122.224 2.867 18221 1699 1 4 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.092 0.168 18221 1700 1 4 . 1 1 32 32 ALA C C 23 179.523 179.523 180.253 -0.730 18221 1701 1 4 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.077 -1.394 18221 1702 1 4 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.020 -1.637 18221 1703 1 4 . 1 1 32 32 ALA H H 23 8.036 8.036 8.226 -0.190 18221 1704 1 4 . 1 1 33 33 VAL N N 24 118.793 118.793 117.401 1.392 18221 1705 1 4 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.697 0.011 18221 1706 1 4 . 1 1 33 33 VAL C C 24 177.901 177.901 178.250 -0.349 18221 1707 1 4 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.414 -0.984 18221 1708 1 4 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.988 0.331 18221 1709 1 4 . 1 1 33 33 VAL H H 24 8.195 8.195 8.195 -0.000 18221 1710 1 4 . 1 1 34 34 GLY N N 25 108.367 108.367 109.052 -0.685 18221 1711 1 4 . 1 1 34 34 GLY C C 25 175.424 175.424 176.134 -0.710 18221 1712 1 4 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.550 -0.216 18221 1713 1 4 . 1 1 34 34 GLY H H 25 8.651 8.651 8.433 0.218 18221 1714 1 4 . 1 1 35 35 THR N N 26 116.448 116.448 119.455 -3.007 18221 1715 1 4 . 1 1 35 35 THR C C 26 176.843 176.843 176.889 -0.046 18221 1716 1 4 . 1 1 35 35 THR CA C 26 65.962 65.962 66.895 -0.933 18221 1717 1 4 . 1 1 35 35 THR CB C 26 68.414 68.414 68.743 -0.329 18221 1718 1 4 . 1 1 35 35 THR H H 26 7.975 7.975 8.027 -0.052 18221 1719 1 4 . 1 1 36 36 VAL N N 27 122.810 122.810 121.941 0.869 18221 1720 1 4 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.679 0.040 18221 1721 1 4 . 1 1 36 36 VAL C C 27 177.618 177.618 177.887 -0.269 18221 1722 1 4 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.565 -0.839 18221 1723 1 4 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.212 -0.545 18221 1724 1 4 . 1 1 36 36 VAL H H 27 7.559 7.559 8.136 -0.577 18221 1725 1 4 . 1 1 37 37 LEU N N 28 119.566 119.566 119.852 -0.286 18221 1726 1 4 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.960 -0.007 18221 1727 1 4 . 1 1 37 37 LEU C C 28 179.666 179.666 179.374 0.292 18221 1728 1 4 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.201 -0.356 18221 1729 1 4 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.933 -0.767 18221 1730 1 4 . 1 1 37 37 LEU H H 28 8.086 8.086 7.842 0.244 18221 1731 1 4 . 1 1 38 38 VAL N N 29 119.468 119.468 118.571 0.897 18221 1732 1 4 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.524 0.129 18221 1733 1 4 . 1 1 38 38 VAL C C 29 178.639 178.639 177.638 1.001 18221 1734 1 4 . 1 1 38 38 VAL CA C 29 65.473 65.473 67.030 -1.557 18221 1735 1 4 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.334 -0.725 18221 1736 1 4 . 1 1 38 38 VAL H H 29 8.066 8.066 8.289 -0.223 18221 1737 1 4 . 1 1 39 39 ALA N N 30 124.255 124.255 123.422 0.833 18221 1738 1 4 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.115 0.050 18221 1739 1 4 . 1 1 39 39 ALA C C 30 180.303 180.303 178.701 1.602 18221 1740 1 4 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.870 -0.036 18221 1741 1 4 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.370 -0.662 18221 1742 1 4 . 1 1 39 39 ALA H H 30 7.688 7.688 7.725 -0.037 18221 1743 1 4 . 1 1 40 40 LEU N N 31 118.268 118.268 118.398 -0.130 18221 1744 1 4 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.110 0.031 18221 1745 1 4 . 1 1 40 40 LEU C C 31 179.271 179.271 179.364 -0.093 18221 1746 1 4 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.364 -0.286 18221 1747 1 4 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.609 -0.707 18221 1748 1 4 . 1 1 40 40 LEU H H 31 8.326 8.326 8.117 0.209 18221 1749 1 4 . 1 1 41 41 SER N N 32 114.984 114.984 115.594 -0.610 18221 1750 1 4 . 1 1 41 41 SER HA H 32 3.952 3.952 4.188 -0.236 18221 1751 1 4 . 1 1 41 41 SER C C 32 176.284 176.284 174.902 1.382 18221 1752 1 4 . 1 1 41 41 SER CA C 32 60.885 60.885 61.519 -0.634 18221 1753 1 4 . 1 1 41 41 SER CB C 32 62.410 62.410 63.330 -0.920 18221 1754 1 4 . 1 1 41 41 SER H H 32 8.062 8.062 8.557 -0.495 18221 1755 1 4 . 1 1 42 42 ALA N N 33 124.588 124.588 121.195 3.393 18221 1756 1 4 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.522 -0.297 18221 1757 1 4 . 1 1 42 42 ALA C C 33 179.033 179.033 176.883 2.150 18221 1758 1 4 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.458 2.255 18221 1759 1 4 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.551 0.378 18221 1760 1 4 . 1 1 42 42 ALA H H 33 7.813 7.813 7.975 -0.162 18221 1761 1 4 . 1 1 43 43 MET N N 34 116.808 116.808 119.694 -2.886 18221 1762 1 4 . 1 1 43 43 MET HA H 34 4.285 4.285 4.523 -0.238 18221 1763 1 4 . 1 1 43 43 MET C C 34 176.807 176.807 176.014 0.793 18221 1764 1 4 . 1 1 43 43 MET CA C 34 56.576 56.576 55.273 1.303 18221 1765 1 4 . 1 1 43 43 MET CB C 34 32.435 32.435 32.962 -0.527 18221 1766 1 4 . 1 1 43 43 MET H H 34 7.691 7.691 7.596 0.095 18221 1767 1 4 . 1 1 44 44 GLY N N 35 107.020 107.020 106.905 0.115 18221 1768 1 4 . 1 1 44 44 GLY C C 35 174.493 174.493 173.855 0.638 18221 1769 1 4 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.105 -0.040 18221 1770 1 4 . 1 1 44 44 GLY H H 35 7.793 7.793 8.240 -0.447 18221 1771 1 4 . 1 1 45 45 PHE N N 36 120.285 120.285 117.796 2.489 18221 1772 1 4 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.680 -0.173 18221 1773 1 4 . 1 1 45 45 PHE C C 36 176.876 176.876 175.206 1.670 18221 1774 1 4 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.615 0.322 18221 1775 1 4 . 1 1 45 45 PHE CB C 36 38.178 38.178 40.315 -2.137 18221 1776 1 4 . 1 1 45 45 PHE H H 36 8.215 8.215 8.056 0.159 18221 1777 1 4 . 1 1 46 46 THR N N 37 114.008 114.008 115.720 -1.712 18221 1778 1 4 . 1 1 46 46 THR HA H 37 4.080 4.080 3.976 0.104 18221 1779 1 4 . 1 1 46 46 THR C C 37 175.751 175.751 174.048 1.703 18221 1780 1 4 . 1 1 46 46 THR CA C 37 64.220 64.220 63.166 1.054 18221 1781 1 4 . 1 1 46 46 THR CB C 37 68.514 68.514 69.039 -0.525 18221 1782 1 4 . 1 1 46 46 THR H H 37 8.111 8.111 7.883 0.228 18221 1783 1 4 . 1 1 47 47 SER N N 38 116.646 116.646 117.256 -0.610 18221 1784 1 4 . 1 1 47 47 SER HA H 38 3.918 3.918 4.456 -0.538 18221 1785 1 4 . 1 1 47 47 SER C C 38 176.744 176.744 174.136 2.608 18221 1786 1 4 . 1 1 47 47 SER CA C 38 59.911 59.911 59.743 0.168 18221 1787 1 4 . 1 1 47 47 SER CB C 38 62.624 62.624 63.865 -1.242 18221 1788 1 4 . 1 1 47 47 SER H H 38 8.079 8.079 8.359 -0.280 18221 1789 1 4 . 1 1 48 48 VAL N N 39 121.929 121.929 119.484 2.445 18221 1790 1 4 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.792 0.117 18221 1791 1 4 . 1 1 48 48 VAL C C 39 177.033 177.033 177.142 -0.109 18221 1792 1 4 . 1 1 48 48 VAL CA C 39 64.988 64.988 63.647 1.341 18221 1793 1 4 . 1 1 48 48 VAL CB C 39 30.667 30.667 32.295 -1.628 18221 1794 1 4 . 1 1 48 48 VAL H H 39 7.985 7.985 8.034 -0.049 18221 1795 1 4 . 1 1 49 49 GLY N N 40 108.633 108.633 111.014 -2.381 18221 1796 1 4 . 1 1 49 49 GLY C C 40 176.038 176.038 176.215 -0.177 18221 1797 1 4 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.704 -0.839 18221 1798 1 4 . 1 1 49 49 GLY H H 40 8.267 8.267 8.674 -0.407 18221 1799 1 4 . 1 1 50 50 ILE N N 41 122.466 122.466 122.940 -0.474 18221 1800 1 4 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.632 0.239 18221 1801 1 4 . 1 1 50 50 ILE C C 41 178.363 178.363 178.078 0.285 18221 1802 1 4 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.314 -0.799 18221 1803 1 4 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.641 -0.403 18221 1804 1 4 . 1 1 50 50 ILE H H 41 7.865 7.865 7.945 -0.080 18221 1805 1 4 . 1 1 51 51 ALA N N 42 125.064 125.064 120.888 4.176 18221 1806 1 4 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.946 0.153 18221 1807 1 4 . 1 1 51 51 ALA C C 42 179.385 179.385 179.428 -0.043 18221 1808 1 4 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.055 -0.575 18221 1809 1 4 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.897 -0.410 18221 1810 1 4 . 1 1 51 51 ALA H H 42 7.930 7.930 7.905 0.025 18221 1811 1 4 . 1 1 52 52 ALA N N 43 120.594 120.594 120.180 0.414 18221 1812 1 4 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.949 -0.012 18221 1813 1 4 . 1 1 52 52 ALA C C 43 179.088 179.088 179.416 -0.328 18221 1814 1 4 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.680 0.420 18221 1815 1 4 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.104 -0.469 18221 1816 1 4 . 1 1 52 52 ALA H H 43 8.639 8.639 8.044 0.595 18221 1817 1 4 . 1 1 53 53 SER N N 44 113.012 113.012 114.877 -1.865 18221 1818 1 4 . 1 1 53 53 SER HA H 44 3.966 3.966 4.216 -0.250 18221 1819 1 4 . 1 1 53 53 SER C C 44 176.898 176.898 176.734 0.164 18221 1820 1 4 . 1 1 53 53 SER CA C 44 61.139 61.139 61.905 -0.766 18221 1821 1 4 . 1 1 53 53 SER CB C 44 62.347 62.347 63.173 -0.826 18221 1822 1 4 . 1 1 53 53 SER H H 44 8.193 8.193 8.316 -0.123 18221 1823 1 4 . 1 1 54 54 SER N N 45 118.714 118.714 118.369 0.345 18221 1824 1 4 . 1 1 54 54 SER HA H 45 3.975 3.975 4.123 -0.148 18221 1825 1 4 . 1 1 54 54 SER C C 45 177.131 177.131 176.625 0.506 18221 1826 1 4 . 1 1 54 54 SER CA C 45 61.210 61.210 62.409 -1.199 18221 1827 1 4 . 1 1 54 54 SER CB C 45 62.255 62.255 62.964 -0.709 18221 1828 1 4 . 1 1 54 54 SER H H 45 7.944 7.944 8.144 -0.200 18221 1829 1 4 . 1 1 55 55 ILE N N 46 122.912 122.912 121.014 1.898 18221 1830 1 4 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.803 -0.046 18221 1831 1 4 . 1 1 55 55 ILE C C 46 177.813 177.813 177.392 0.421 18221 1832 1 4 . 1 1 55 55 ILE CA C 46 64.191 64.191 62.742 1.449 18221 1833 1 4 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.330 -0.404 18221 1834 1 4 . 1 1 55 55 ILE H H 46 8.028 8.028 7.979 0.049 18221 1835 1 4 . 1 1 56 56 ALA N N 47 122.990 122.990 121.114 1.876 18221 1836 1 4 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.965 -0.009 18221 1837 1 4 . 1 1 56 56 ALA C C 47 180.294 180.294 179.926 0.368 18221 1838 1 4 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.763 -0.425 18221 1839 1 4 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.649 -0.948 18221 1840 1 4 . 1 1 56 56 ALA H H 47 8.333 8.333 7.694 0.639 18221 1841 1 4 . 1 1 57 57 ALA N N 48 121.988 121.988 120.516 1.472 18221 1842 1 4 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.968 0.100 18221 1843 1 4 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.428 -0.007 18221 1844 1 4 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.193 -1.491 18221 1845 1 4 . 1 1 57 57 ALA H H 48 7.879 7.879 8.214 -0.335 18221 1846 1 4 . 1 1 58 58 LYS N N 49 119.094 119.094 113.702 5.392 18221 1847 1 4 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.406 -0.260 18221 1848 1 4 . 1 1 58 58 LYS C C 49 179.649 179.649 174.626 5.023 18221 1849 1 4 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.402 0.755 18221 1850 1 4 . 1 1 58 58 LYS CB C 49 31.330 31.330 34.446 -3.116 18221 1851 1 4 . 1 1 58 58 LYS H H 49 7.727 7.727 7.679 0.048 18221 1852 1 4 . 1 1 59 59 MET N N 50 120.498 120.498 119.019 1.479 18221 1853 1 4 . 1 1 59 59 MET HA H 50 4.156 4.156 4.631 -0.475 18221 1854 1 4 . 1 1 59 59 MET C C 50 177.949 177.949 174.199 3.750 18221 1855 1 4 . 1 1 59 59 MET CA C 50 57.136 57.136 56.078 1.058 18221 1856 1 4 . 1 1 59 59 MET CB C 50 31.922 31.922 32.660 -0.738 18221 1857 1 4 . 1 1 59 59 MET H H 50 8.395 8.395 8.401 -0.006 18221 1858 1 4 . 1 1 60 60 MET N N 51 117.689 117.689 121.760 -4.071 18221 1859 1 4 . 1 1 60 60 MET HA H 51 4.222 4.222 4.809 -0.587 18221 1860 1 4 . 1 1 60 60 MET C C 51 177.674 177.674 174.184 3.490 18221 1861 1 4 . 1 1 60 60 MET CA C 51 57.638 57.638 55.385 2.253 18221 1862 1 4 . 1 1 60 60 MET CB C 51 31.785 31.785 34.523 -2.738 18221 1863 1 4 . 1 1 60 60 MET H H 51 8.234 8.234 8.050 0.184 18221 1864 1 4 . 1 1 61 61 SER N N 52 114.385 114.385 116.050 -1.665 18221 1865 1 4 . 1 1 61 61 SER HA H 52 4.001 4.001 4.681 -0.680 18221 1866 1 4 . 1 1 61 61 SER C C 52 176.079 176.079 174.645 1.434 18221 1867 1 4 . 1 1 61 61 SER CA C 52 59.911 59.911 57.845 2.066 18221 1868 1 4 . 1 1 61 61 SER CB C 52 62.624 62.624 63.905 -1.281 18221 1869 1 4 . 1 1 61 61 SER H H 52 7.893 7.893 8.535 -0.642 18221 1870 1 4 . 1 1 62 62 THR N N 53 117.304 117.304 116.112 1.192 18221 1871 1 4 . 1 1 62 62 THR HA H 53 4.104 4.104 4.068 0.036 18221 1872 1 4 . 1 1 62 62 THR C C 53 175.436 175.436 174.462 0.974 18221 1873 1 4 . 1 1 62 62 THR CA C 53 64.220 64.220 63.578 0.642 18221 1874 1 4 . 1 1 62 62 THR CB C 53 68.514 68.514 68.950 -0.436 18221 1875 1 4 . 1 1 62 62 THR H H 53 7.794 7.794 8.428 -0.634 18221 1876 1 4 . 1 1 63 63 ALA N N 54 125.382 125.382 122.288 3.094 18221 1877 1 4 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.101 -0.007 18221 1878 1 4 . 1 1 63 63 ALA C C 54 178.328 178.328 176.155 2.173 18221 1879 1 4 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.073 1.023 18221 1880 1 4 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.777 -1.069 18221 1881 1 4 . 1 1 63 63 ALA H H 54 8.204 8.204 7.693 0.511 18221 1882 1 4 . 1 1 64 64 ALA N N 55 119.929 119.929 121.018 -1.089 18221 1883 1 4 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.003 0.122 18221 1884 1 4 . 1 1 64 64 ALA C C 55 179.183 179.183 176.806 2.377 18221 1885 1 4 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.775 1.262 18221 1886 1 4 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.236 -0.528 18221 1887 1 4 . 1 1 64 64 ALA H H 55 7.951 7.951 8.466 -0.515 18221 1888 1 4 . 1 1 65 65 ILE N N 56 117.016 117.016 120.047 -3.031 18221 1889 1 4 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.097 -0.147 18221 1890 1 4 . 1 1 65 65 ILE C C 56 177.222 177.222 176.058 1.164 18221 1891 1 4 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.995 1.189 18221 1892 1 4 . 1 1 65 65 ILE CB C 56 37.073 37.073 35.389 1.684 18221 1893 1 4 . 1 1 65 65 ILE H H 56 7.561 7.561 8.099 -0.538 18221 1894 1 4 . 1 1 66 66 ALA N N 57 124.191 124.191 128.141 -3.950 18221 1895 1 4 . 1 1 66 66 ALA HA H 57 4.177 4.177 3.907 0.270 18221 1896 1 4 . 1 1 66 66 ALA C C 57 178.190 178.190 176.983 1.207 18221 1897 1 4 . 1 1 66 66 ALA CA C 57 53.536 53.536 53.936 -0.400 18221 1898 1 4 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.677 0.252 18221 1899 1 4 . 1 1 66 66 ALA H H 57 7.982 7.982 8.014 -0.032 18221 1900 1 4 . 1 1 67 67 ASN N N 58 116.132 116.132 120.826 -4.694 18221 1901 1 4 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.843 -0.170 18221 1902 1 4 . 1 1 67 67 ASN C C 58 176.344 176.344 175.583 0.761 18221 1903 1 4 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.045 0.432 18221 1904 1 4 . 1 1 67 67 ASN CB C 58 38.472 38.472 40.110 -1.638 18221 1905 1 4 . 1 1 67 67 ASN H H 58 8.113 8.113 8.282 -0.169 18221 1906 1 4 . 1 1 68 68 GLY N N 59 108.808 108.808 112.745 -3.937 18221 1907 1 4 . 1 1 68 68 GLY C C 59 174.958 174.958 174.949 0.009 18221 1908 1 4 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.816 0.839 18221 1909 1 4 . 1 1 68 68 GLY H H 59 8.152 8.152 8.584 -0.432 18221 1910 1 4 . 1 1 69 69 GLY N N 60 108.832 108.832 110.568 -1.736 18221 1911 1 4 . 1 1 69 69 GLY C C 60 174.631 174.631 175.238 -0.607 18221 1912 1 4 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.113 0.306 18221 1913 1 4 . 1 1 69 69 GLY H H 60 8.218 8.218 7.947 0.271 18221 1914 1 4 . 1 1 70 70 GLY N N 61 108.966 108.966 108.830 0.136 18221 1915 1 4 . 1 1 70 70 GLY C C 61 174.594 174.594 174.454 0.140 18221 1916 1 4 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.644 0.716 18221 1917 1 4 . 1 1 70 70 GLY H H 61 8.175 8.175 7.890 0.285 18221 1918 1 4 . 1 1 71 71 VAL N N 62 120.209 120.209 119.444 0.765 18221 1919 1 4 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.897 0.109 18221 1920 1 4 . 1 1 71 71 VAL C C 62 176.077 176.077 177.402 -1.325 18221 1921 1 4 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.900 -1.510 18221 1922 1 4 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.491 0.207 18221 1923 1 4 . 1 1 71 71 VAL H H 62 7.882 7.882 8.273 -0.391 18221 1924 1 4 . 1 1 72 72 ALA N N 63 126.966 126.966 121.660 5.306 18221 1925 1 4 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.176 -0.150 18221 1926 1 4 . 1 1 72 72 ALA C C 63 178.064 178.064 177.301 0.763 18221 1927 1 4 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.649 -1.146 18221 1928 1 4 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.484 -0.259 18221 1929 1 4 . 1 1 72 72 ALA H H 63 8.237 8.237 7.859 0.378 18221 1930 1 4 . 1 1 73 73 ALA N N 64 123.432 123.432 121.451 1.981 18221 1931 1 4 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.125 -0.110 18221 1932 1 4 . 1 1 73 73 ALA C C 64 178.995 178.995 177.576 1.419 18221 1933 1 4 . 1 1 73 73 ALA CA C 64 54.421 54.421 53.608 0.814 18221 1934 1 4 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.326 -0.323 18221 1935 1 4 . 1 1 73 73 ALA H H 64 8.421 8.421 7.815 0.606 18221 1936 1 4 . 1 1 74 74 GLY N N 65 105.577 105.577 111.951 -6.374 18221 1937 1 4 . 1 1 74 74 GLY C C 65 176.367 176.367 175.067 1.300 18221 1938 1 4 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.755 1.489 18221 1939 1 4 . 1 1 74 74 GLY H H 65 8.448 8.448 7.715 0.733 18221 1940 1 4 . 1 1 75 75 SER N N 66 117.656 117.656 116.918 0.738 18221 1941 1 4 . 1 1 75 75 SER HA H 66 4.394 4.394 4.243 0.151 18221 1942 1 4 . 1 1 75 75 SER C C 66 176.329 176.329 176.891 -0.562 18221 1943 1 4 . 1 1 75 75 SER CA C 66 60.236 60.236 61.117 -0.881 18221 1944 1 4 . 1 1 75 75 SER CB C 66 62.476 62.476 62.955 -0.479 18221 1945 1 4 . 1 1 75 75 SER H H 66 7.899 7.899 8.534 -0.635 18221 1946 1 4 . 1 1 76 76 LEU N N 67 122.743 122.743 123.070 -0.327 18221 1947 1 4 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.894 0.156 18221 1948 1 4 . 1 1 76 76 LEU C C 67 178.442 178.442 178.302 0.140 18221 1949 1 4 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.084 -0.564 18221 1950 1 4 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.970 -1.289 18221 1951 1 4 . 1 1 76 76 LEU H H 67 7.955 7.955 8.311 -0.356 18221 1952 1 4 . 1 1 77 77 VAL N N 68 118.400 118.400 118.796 -0.396 18221 1953 1 4 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.452 0.019 18221 1954 1 4 . 1 1 77 77 VAL C C 68 177.297 177.297 177.540 -0.243 18221 1955 1 4 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.939 -0.269 18221 1956 1 4 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.400 -0.880 18221 1957 1 4 . 1 1 77 77 VAL H H 68 8.039 8.039 8.318 -0.279 18221 1958 1 4 . 1 1 78 78 ALA N N 69 121.927 121.927 121.554 0.373 18221 1959 1 4 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.265 -0.060 18221 1960 1 4 . 1 1 78 78 ALA C C 69 181.258 181.258 179.659 1.599 18221 1961 1 4 . 1 1 78 78 ALA CA C 69 54.982 54.982 54.780 0.202 18221 1962 1 4 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.205 -0.791 18221 1963 1 4 . 1 1 78 78 ALA H H 69 7.631 7.631 7.830 -0.199 18221 1964 1 4 . 1 1 79 79 ILE N N 70 119.782 119.782 119.532 0.250 18221 1965 1 4 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.595 0.201 18221 1966 1 4 . 1 1 79 79 ILE C C 70 178.253 178.253 178.082 0.171 18221 1967 1 4 . 1 1 79 79 ILE CA C 70 64.352 64.352 65.492 -1.139 18221 1968 1 4 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.924 -0.851 18221 1969 1 4 . 1 1 79 79 ILE H H 70 7.841 7.841 7.321 0.520 18221 1970 1 4 . 1 1 80 80 LEU N N 71 120.841 120.841 119.648 1.193 18221 1971 1 4 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.784 0.153 18221 1972 1 4 . 1 1 80 80 LEU C C 71 179.234 179.234 178.865 0.369 18221 1973 1 4 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.572 -0.727 18221 1974 1 4 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.692 -1.673 18221 1975 1 4 . 1 1 80 80 LEU H H 71 8.190 8.190 8.303 -0.113 18221 1976 1 4 . 1 1 81 81 GLN N N 72 117.558 117.558 117.695 -0.137 18221 1977 1 4 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.913 0.056 18221 1978 1 4 . 1 1 81 81 GLN C C 72 178.530 178.530 178.891 -0.361 18221 1979 1 4 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.257 -0.438 18221 1980 1 4 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.629 -1.349 18221 1981 1 4 . 1 1 81 81 GLN H H 72 8.489 8.489 8.068 0.421 18221 1982 1 4 . 1 1 82 82 SER N N 73 116.103 116.103 115.051 1.052 18221 1983 1 4 . 1 1 82 82 SER HA H 73 4.233 4.233 4.210 0.023 18221 1984 1 4 . 1 1 82 82 SER C C 73 177.243 177.243 176.901 0.342 18221 1985 1 4 . 1 1 82 82 SER CA C 73 61.044 61.044 61.932 -0.888 18221 1986 1 4 . 1 1 82 82 SER CB C 73 62.257 62.257 63.043 -0.786 18221 1987 1 4 . 1 1 82 82 SER H H 73 7.855 7.855 8.012 -0.157 18221 1988 1 4 . 1 1 83 83 VAL N N 74 120.362 120.362 120.978 -0.616 18221 1989 1 4 . 1 1 83 83 VAL C C 74 177.979 177.979 178.260 -0.281 18221 1990 1 4 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.888 -0.782 18221 1991 1 4 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.107 -0.366 18221 1992 1 4 . 1 1 83 83 VAL H H 74 8.030 8.030 8.303 -0.273 18221 1993 1 4 . 1 1 84 84 GLY N N 75 108.223 108.223 106.030 2.193 18221 1994 1 4 . 1 1 84 84 GLY C C 75 174.913 174.913 175.524 -0.611 18221 1995 1 4 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.914 -0.137 18221 1996 1 4 . 1 1 84 84 GLY H H 75 8.369 8.369 7.928 0.441 18221 1997 1 4 . 1 1 85 85 ALA N N 76 123.550 123.550 125.286 -1.736 18221 1998 1 4 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.083 0.011 18221 1999 1 4 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.860 -0.262 18221 2000 1 4 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.233 -0.610 18221 2001 1 4 . 1 1 85 85 ALA H H 76 8.115 8.115 7.976 0.139 18221 2002 1 4 . 1 1 86 86 ALA N N 77 120.410 120.410 121.563 -1.153 18221 2003 1 4 . 1 1 86 86 ALA C C 77 178.988 178.988 179.788 -0.800 18221 2004 1 4 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.143 -0.307 18221 2005 1 4 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.016 -0.506 18221 2006 1 4 . 1 1 86 86 ALA H H 77 8.632 8.632 8.092 0.539 18221 2007 1 4 . 1 1 87 87 GLY N N 78 105.706 105.706 107.305 -1.599 18221 2008 1 4 . 1 1 87 87 GLY C C 78 175.939 175.939 176.017 -0.078 18221 2009 1 4 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.038 -0.920 18221 2010 1 4 . 1 1 87 87 GLY H H 78 8.196 8.196 8.135 0.061 18221 2011 1 4 . 1 1 88 88 LEU N N 79 124.128 124.128 121.417 2.711 18221 2012 1 4 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.462 -0.060 18221 2013 1 4 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.968 -1.581 18221 2014 1 4 . 1 1 88 88 LEU H H 79 8.449 8.449 7.889 0.560 18221 2015 1 4 . 1 1 89 89 SER N N 80 116.251 116.251 115.226 1.025 18221 2016 1 4 . 1 1 89 89 SER C C 80 179.153 179.153 176.663 2.490 18221 2017 1 4 . 1 1 89 89 SER CA C 80 61.023 61.023 61.742 -0.719 18221 2018 1 4 . 1 1 89 89 SER CB C 80 62.255 62.255 62.556 -0.301 18221 2019 1 4 . 1 1 89 89 SER H H 80 8.120 8.120 8.092 0.028 18221 2020 1 4 . 1 1 90 90 VAL N N 81 119.310 119.310 121.807 -2.497 18221 2021 1 4 . 1 1 90 90 VAL C C 81 177.652 177.652 177.896 -0.244 18221 2022 1 4 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.474 -0.398 18221 2023 1 4 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.809 -0.479 18221 2024 1 4 . 1 1 90 90 VAL H H 81 7.955 7.955 8.355 -0.400 18221 2025 1 4 . 1 1 91 91 THR N N 82 115.535 115.535 116.357 -0.822 18221 2026 1 4 . 1 1 91 91 THR C C 82 176.571 176.571 176.691 -0.120 18221 2027 1 4 . 1 1 91 91 THR CA C 82 66.434 66.434 67.466 -1.032 18221 2028 1 4 . 1 1 91 91 THR CB C 82 67.742 67.742 68.313 -0.571 18221 2029 1 4 . 1 1 91 91 THR H H 82 7.888 7.888 8.391 -0.503 18221 2030 1 4 . 1 1 92 92 SER N N 83 116.537 116.537 118.465 -1.928 18221 2031 1 4 . 1 1 92 92 SER HA H 83 4.040 4.040 3.923 0.117 18221 2032 1 4 . 1 1 92 92 SER C C 83 176.761 176.761 176.578 0.183 18221 2033 1 4 . 1 1 92 92 SER CA C 83 61.564 61.564 62.447 -0.882 18221 2034 1 4 . 1 1 92 92 SER CB C 83 62.009 62.009 62.997 -0.988 18221 2035 1 4 . 1 1 92 92 SER H H 83 8.212 8.212 8.176 0.036 18221 2036 1 4 . 1 1 93 93 LYS N N 84 122.353 122.353 120.850 1.503 18221 2037 1 4 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.012 0.107 18221 2038 1 4 . 1 1 93 93 LYS C C 84 172.812 172.812 179.050 -6.238 18221 2039 1 4 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.471 -1.036 18221 2040 1 4 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.383 -0.906 18221 2041 1 4 . 1 1 93 93 LYS H H 84 7.642 7.642 8.023 -0.381 18221 2042 1 4 . 1 1 94 94 VAL N N 85 119.348 119.348 118.537 0.811 18221 2043 1 4 . 1 1 94 94 VAL C C 85 177.948 177.948 177.102 0.846 18221 2044 1 4 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.520 -0.131 18221 2045 1 4 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.784 0.062 18221 2046 1 4 . 1 1 94 94 VAL H H 85 8.414 8.414 7.924 0.490 18221 2047 1 4 . 1 1 95 95 ILE N N 86 118.769 118.769 116.487 2.282 18221 2048 1 4 . 1 1 95 95 ILE C C 86 177.972 177.972 175.655 2.317 18221 2049 1 4 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.482 0.355 18221 2050 1 4 . 1 1 95 95 ILE CB C 86 36.632 36.632 39.153 -2.521 18221 2051 1 4 . 1 1 95 95 ILE H H 86 8.169 8.169 7.714 0.455 18221 2052 1 4 . 1 1 96 96 GLY N N 87 107.955 107.955 104.459 3.496 18221 2053 1 4 . 1 1 96 96 GLY C C 87 176.571 176.571 172.942 3.629 18221 2054 1 4 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.177 2.334 18221 2055 1 4 . 1 1 96 96 GLY H H 87 8.182 8.182 8.007 0.175 18221 2056 1 4 . 1 1 97 97 GLY N N 88 109.117 109.117 109.813 -0.696 18221 2057 1 4 . 1 1 97 97 GLY C C 88 175.524 175.524 174.788 0.736 18221 2058 1 4 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.762 0.070 18221 2059 1 4 . 1 1 97 97 GLY H H 88 7.953 7.953 8.137 -0.184 18221 2060 1 4 . 1 1 98 98 PHE N N 89 121.100 121.100 119.541 1.559 18221 2061 1 4 . 1 1 98 98 PHE C C 89 176.367 176.367 174.404 1.963 18221 2062 1 4 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.085 -2.185 18221 2063 1 4 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.193 0.639 18221 2064 1 4 . 1 1 98 98 PHE H H 89 8.000 8.000 8.170 -0.170 18221 2065 1 4 . 1 1 99 99 ALA N N 90 122.834 122.834 126.843 -4.009 18221 2066 1 4 . 1 1 99 99 ALA C C 90 178.348 178.348 176.261 2.087 18221 2067 1 4 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.348 3.929 18221 2068 1 4 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.419 -3.005 18221 2069 1 4 . 1 1 99 99 ALA H H 90 8.322 8.322 8.191 0.131 18221 2070 1 4 . 1 1 100 100 GLY N N 91 106.688 106.688 113.827 -7.139 18221 2071 1 4 . 1 1 100 100 GLY C C 91 175.878 175.878 175.175 0.703 18221 2072 1 4 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.898 -1.272 18221 2073 1 4 . 1 1 100 100 GLY H H 91 8.000 8.000 8.794 -0.794 18221 2074 1 4 . 1 1 101 101 THR N N 92 115.689 115.689 117.928 -2.239 18221 2075 1 4 . 1 1 101 101 THR C C 92 178.476 178.476 173.793 4.683 18221 2076 1 4 . 1 1 101 101 THR CA C 92 63.364 63.364 62.145 1.219 18221 2077 1 4 . 1 1 101 101 THR CB C 92 69.619 69.619 70.373 -0.754 18221 2078 1 4 . 1 1 101 101 THR H H 92 7.754 7.754 8.308 -0.554 18221 2079 1 4 . 1 1 102 102 ALA N N 93 124.835 124.835 123.633 1.202 18221 2080 1 4 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.940 1.371 18221 2081 1 4 . 1 1 102 102 ALA CB C 93 17.679 17.679 17.578 0.101 18221 2082 1 4 . 1 1 102 102 ALA H H 93 7.919 7.919 8.237 -0.318 18221 2083 1 4 . 1 1 103 103 LEU N N 94 117.445 117.445 119.008 -1.563 18221 2084 1 4 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.365 1.417 18221 2085 1 4 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.314 -1.412 18221 2086 1 4 . 1 1 103 103 LEU H H 94 8.037 8.037 8.097 -0.060 18221 2087 1 4 . 1 1 104 104 GLY N N 95 106.296 106.296 110.363 -4.067 18221 2088 1 4 . 1 1 104 104 GLY C C 95 175.851 175.851 174.847 1.004 18221 2089 1 4 . 1 1 104 104 GLY CA C 95 46.570 46.570 45.409 1.161 18221 2090 1 4 . 1 1 104 104 GLY H H 95 7.900 7.900 8.072 -0.172 18221 2091 1 4 . 1 1 105 105 ALA N N 96 123.872 123.872 122.786 1.086 18221 2092 1 4 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.213 2.913 18221 2093 1 4 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.459 -1.871 18221 2094 1 4 . 1 1 105 105 ALA H H 96 7.804 7.804 8.197 -0.393 18221 2095 1 4 . 1 1 106 106 TRP N N 97 120.348 120.348 121.335 -0.987 18221 2096 1 4 . 1 1 106 106 TRP C C 97 176.857 176.857 173.961 2.896 18221 2097 1 4 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.237 -0.337 18221 2098 1 4 . 1 1 106 106 TRP H H 97 8.385 8.385 7.908 0.477 18221 2099 1 4 . 1 1 107 107 LEU N N 98 117.756 117.756 129.548 -11.792 18221 2100 1 4 . 1 1 107 107 LEU C C 98 177.659 177.659 175.175 2.484 18221 2101 1 4 . 1 1 107 107 LEU CA C 98 55.103 55.103 53.479 1.624 18221 2102 1 4 . 1 1 107 107 LEU CB C 98 41.418 41.418 40.927 0.491 18221 2103 1 4 . 1 1 107 107 LEU H H 98 7.880 7.880 8.171 -0.291 18221 2104 1 4 . 1 1 108 108 GLY N N 99 107.285 107.285 106.569 0.716 18221 2105 1 4 . 1 1 108 108 GLY C C 99 173.815 173.815 172.664 1.151 18221 2106 1 4 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.459 0.488 18221 2107 1 4 . 1 1 108 108 GLY H H 99 7.694 7.694 6.454 1.240 18221 2108 1 4 . 1 1 109 109 SER N N 100 117.139 117.139 116.924 0.215 18221 2109 1 4 . 1 1 109 109 SER C C 100 172.179 172.179 173.666 -1.487 18221 2110 1 4 . 1 1 109 109 SER CA C 100 56.015 56.015 56.800 -0.785 18221 2111 1 4 . 1 1 109 109 SER CB C 100 62.771 62.771 63.556 -0.785 18221 2112 1 4 . 1 1 109 109 SER H H 100 8.030 8.030 8.166 -0.136 18221 2113 1 4 . 1 1 111 111 PRO C C 102 177.073 177.073 176.331 0.742 18221 2114 1 4 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.712 -0.513 18221 2115 1 4 . 1 1 111 111 PRO CB C 102 31.211 31.211 29.845 1.366 18221 2116 1 4 . 1 1 112 112 SER N N 103 117.115 117.115 116.222 0.893 18221 2117 1 4 . 1 1 112 112 SER C C 103 173.898 173.898 173.859 0.039 18221 2118 1 4 . 1 1 112 112 SER CA C 103 57.904 57.904 58.807 -0.903 18221 2119 1 4 . 1 1 112 112 SER CB C 103 63.360 63.360 62.751 0.609 18221 2120 1 4 . 1 1 112 112 SER H H 103 8.345 8.345 8.477 -0.132 18221 2121 1 5 . 1 1 11 11 GLY N N 2 109.366 109.366 110.024 -0.658 18221 2122 1 5 . 1 1 11 11 GLY C C 2 174.543 174.543 173.083 1.460 18221 2123 1 5 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.388 1.307 18221 2124 1 5 . 1 1 11 11 GLY H H 2 8.271 8.271 8.030 0.241 18221 2125 1 5 . 1 1 12 12 LYS N N 3 121.129 121.129 120.970 0.159 18221 2126 1 5 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.493 -0.361 18221 2127 1 5 . 1 1 12 12 LYS C C 3 177.234 177.234 175.059 2.175 18221 2128 1 5 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.473 0.339 18221 2129 1 5 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.884 -1.038 18221 2130 1 5 . 1 1 12 12 LYS H H 3 8.057 8.057 8.294 -0.237 18221 2131 1 5 . 1 1 13 13 GLU N N 4 120.318 120.318 121.511 -1.193 18221 2132 1 5 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.476 -0.321 18221 2133 1 5 . 1 1 13 13 GLU C C 4 176.857 176.857 175.591 1.266 18221 2134 1 5 . 1 1 13 13 GLU CA C 4 56.871 56.871 55.904 0.967 18221 2135 1 5 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.870 -2.482 18221 2136 1 5 . 1 1 13 13 GLU H H 4 8.398 8.398 8.247 0.151 18221 2137 1 5 . 1 1 14 14 SER N N 5 115.504 115.504 116.743 -1.239 18221 2138 1 5 . 1 1 14 14 SER HA H 5 3.843 3.843 4.270 -0.427 18221 2139 1 5 . 1 1 14 14 SER C C 5 175.337 175.337 174.501 0.836 18221 2140 1 5 . 1 1 14 14 SER CA C 5 58.524 58.524 58.080 0.444 18221 2141 1 5 . 1 1 14 14 SER CB C 5 63.360 63.360 63.730 -0.370 18221 2142 1 5 . 1 1 14 14 SER H H 5 8.089 8.089 8.585 -0.496 18221 2143 1 5 . 1 1 15 15 GLY N N 6 110.761 110.761 108.714 2.047 18221 2144 1 5 . 1 1 15 15 GLY C C 6 174.581 174.581 173.455 1.126 18221 2145 1 5 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.986 0.580 18221 2146 1 5 . 1 1 15 15 GLY H H 6 8.197 8.197 8.225 -0.028 18221 2147 1 5 . 1 1 16 16 TRP N N 7 121.800 121.800 124.731 -2.931 18221 2148 1 5 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.517 0.043 18221 2149 1 5 . 1 1 16 16 TRP C C 7 176.920 176.920 175.331 1.589 18221 2150 1 5 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.056 0.025 18221 2151 1 5 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.974 -1.295 18221 2152 1 5 . 1 1 16 16 TRP H H 7 8.184 8.184 8.211 -0.027 18221 2153 1 5 . 1 1 17 17 ASP N N 8 121.132 121.132 126.193 -5.061 18221 2154 1 5 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.483 -0.088 18221 2155 1 5 . 1 1 17 17 ASP C C 8 176.941 176.941 173.989 2.952 18221 2156 1 5 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.413 2.831 18221 2157 1 5 . 1 1 17 17 ASP CB C 8 39.945 39.945 42.655 -2.710 18221 2158 1 5 . 1 1 17 17 ASP H H 8 8.332 8.332 7.524 0.808 18221 2159 1 5 . 1 1 18 18 SER N N 9 116.148 116.148 116.301 -0.153 18221 2160 1 5 . 1 1 18 18 SER HA H 9 3.861 3.861 4.689 -0.828 18221 2161 1 5 . 1 1 18 18 SER CA C 9 60.081 60.081 57.450 2.631 18221 2162 1 5 . 1 1 18 18 SER CB C 9 62.255 62.255 66.006 -3.751 18221 2163 1 5 . 1 1 18 18 SER H H 9 8.129 8.129 8.161 -0.032 18221 2164 1 5 . 1 1 19 19 GLY N N 10 110.747 110.747 111.509 -0.762 18221 2165 1 5 . 1 1 19 19 GLY C C 10 174.682 174.682 175.480 -0.798 18221 2166 1 5 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.033 1.567 18221 2167 1 5 . 1 1 19 19 GLY H H 10 8.216 8.216 8.169 0.047 18221 2168 1 5 . 1 1 20 20 ARG N N 11 121.405 121.405 120.623 0.782 18221 2169 1 5 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.048 -0.191 18221 2170 1 5 . 1 1 20 20 ARG C C 11 178.328 178.328 179.055 -0.727 18221 2171 1 5 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.882 0.203 18221 2172 1 5 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.949 -0.902 18221 2173 1 5 . 1 1 20 20 ARG H H 11 8.158 8.158 8.488 -0.330 18221 2174 1 5 . 1 1 21 21 ALA N N 12 122.167 122.167 119.897 2.270 18221 2175 1 5 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.045 0.055 18221 2176 1 5 . 1 1 21 21 ALA C C 12 180.129 180.129 179.348 0.781 18221 2177 1 5 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.787 -0.395 18221 2178 1 5 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.908 -0.494 18221 2179 1 5 . 1 1 21 21 ALA H H 12 7.963 7.963 8.475 -0.512 18221 2180 1 5 . 1 1 22 22 ALA N N 13 122.150 122.150 121.740 0.410 18221 2181 1 5 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.999 0.038 18221 2182 1 5 . 1 1 22 22 ALA C C 13 179.095 179.095 179.821 -0.726 18221 2183 1 5 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.100 -0.384 18221 2184 1 5 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.921 -0.360 18221 2185 1 5 . 1 1 22 22 ALA H H 13 7.881 7.881 7.572 0.309 18221 2186 1 5 . 1 1 23 23 VAL N N 14 117.107 117.107 118.827 -1.720 18221 2187 1 5 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.624 -0.144 18221 2188 1 5 . 1 1 23 23 VAL C C 14 177.586 177.586 178.295 -0.709 18221 2189 1 5 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.204 0.994 18221 2190 1 5 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.577 -0.057 18221 2191 1 5 . 1 1 23 23 VAL H H 14 7.888 7.888 8.068 -0.180 18221 2192 1 5 . 1 1 24 24 ALA N N 15 121.333 121.333 121.872 -0.539 18221 2193 1 5 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.990 -0.009 18221 2194 1 5 . 1 1 24 24 ALA C C 15 180.373 180.373 179.499 0.874 18221 2195 1 5 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.206 -0.195 18221 2196 1 5 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.862 -0.610 18221 2197 1 5 . 1 1 24 24 ALA H H 15 8.037 8.037 7.662 0.375 18221 2198 1 5 . 1 1 25 25 ALA N N 16 121.158 121.158 119.587 1.571 18221 2199 1 5 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.204 -0.058 18221 2200 1 5 . 1 1 25 25 ALA C C 16 179.828 179.828 178.705 1.123 18221 2201 1 5 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.811 -0.360 18221 2202 1 5 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.478 -0.991 18221 2203 1 5 . 1 1 25 25 ALA H H 16 7.819 7.819 7.864 -0.045 18221 2204 1 5 . 1 1 26 26 VAL N N 17 118.417 118.417 115.938 2.479 18221 2205 1 5 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.935 -0.157 18221 2206 1 5 . 1 1 26 26 VAL C C 17 178.020 178.020 177.142 0.878 18221 2207 1 5 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.945 1.633 18221 2208 1 5 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.778 -0.693 18221 2209 1 5 . 1 1 26 26 VAL H H 17 7.848 7.848 7.375 0.473 18221 2210 1 5 . 1 1 27 27 VAL N N 18 119.240 119.240 118.592 0.648 18221 2211 1 5 . 1 1 27 27 VAL C C 18 177.719 177.719 176.973 0.746 18221 2212 1 5 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.219 1.772 18221 2213 1 5 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.063 -1.876 18221 2214 1 5 . 1 1 27 27 VAL H H 18 8.377 8.377 7.569 0.808 18221 2215 1 5 . 1 1 28 28 GLY N N 19 106.009 106.009 107.018 -1.009 18221 2216 1 5 . 1 1 28 28 GLY C C 19 176.212 176.212 174.049 2.163 18221 2217 1 5 . 1 1 28 28 GLY CA C 19 46.244 46.244 45.209 1.035 18221 2218 1 5 . 1 1 28 28 GLY H H 19 8.122 8.122 7.670 0.452 18221 2219 1 5 . 1 1 29 29 GLY N N 20 110.216 110.216 112.795 -2.579 18221 2220 1 5 . 1 1 29 29 GLY C C 20 174.097 174.097 175.084 -0.987 18221 2221 1 5 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.626 1.708 18221 2222 1 5 . 1 1 29 29 GLY H H 20 8.039 8.039 8.253 -0.214 18221 2223 1 5 . 1 1 30 30 VAL N N 21 121.188 121.188 120.944 0.244 18221 2224 1 5 . 1 1 30 30 VAL C C 21 177.073 177.073 177.413 -0.340 18221 2225 1 5 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.928 -3.354 18221 2226 1 5 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.845 -1.055 18221 2227 1 5 . 1 1 30 30 VAL H H 21 7.983 7.983 8.109 -0.126 18221 2228 1 5 . 1 1 32 32 ALA N N 23 125.091 125.091 121.154 3.937 18221 2229 1 5 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.101 0.159 18221 2230 1 5 . 1 1 32 32 ALA C C 23 179.523 179.523 180.333 -0.810 18221 2231 1 5 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.101 -1.418 18221 2232 1 5 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.110 -1.727 18221 2233 1 5 . 1 1 32 32 ALA H H 23 8.036 8.036 8.374 -0.339 18221 2234 1 5 . 1 1 33 33 VAL N N 24 118.793 118.793 117.582 1.211 18221 2235 1 5 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.638 0.070 18221 2236 1 5 . 1 1 33 33 VAL C C 24 177.901 177.901 178.048 -0.147 18221 2237 1 5 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.838 -0.408 18221 2238 1 5 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.394 -0.076 18221 2239 1 5 . 1 1 33 33 VAL H H 24 8.195 8.195 8.076 0.119 18221 2240 1 5 . 1 1 34 34 GLY N N 25 108.367 108.367 108.760 -0.393 18221 2241 1 5 . 1 1 34 34 GLY C C 25 175.424 175.424 175.954 -0.530 18221 2242 1 5 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.528 -0.194 18221 2243 1 5 . 1 1 34 34 GLY H H 25 8.651 8.651 8.358 0.293 18221 2244 1 5 . 1 1 35 35 THR N N 26 116.448 116.448 119.557 -3.109 18221 2245 1 5 . 1 1 35 35 THR C C 26 176.843 176.843 176.922 -0.079 18221 2246 1 5 . 1 1 35 35 THR CA C 26 65.962 65.962 67.013 -1.051 18221 2247 1 5 . 1 1 35 35 THR CB C 26 68.414 68.414 68.570 -0.156 18221 2248 1 5 . 1 1 35 35 THR H H 26 7.975 7.975 8.352 -0.377 18221 2249 1 5 . 1 1 36 36 VAL N N 27 122.810 122.810 121.853 0.957 18221 2250 1 5 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.577 0.142 18221 2251 1 5 . 1 1 36 36 VAL C C 27 177.618 177.618 177.646 -0.028 18221 2252 1 5 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.615 -0.889 18221 2253 1 5 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.706 -1.038 18221 2254 1 5 . 1 1 36 36 VAL H H 27 7.559 7.559 8.049 -0.490 18221 2255 1 5 . 1 1 37 37 LEU N N 28 119.566 119.566 120.148 -0.582 18221 2256 1 5 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.872 0.081 18221 2257 1 5 . 1 1 37 37 LEU C C 28 179.666 179.666 179.018 0.648 18221 2258 1 5 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.350 -0.505 18221 2259 1 5 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.873 -1.707 18221 2260 1 5 . 1 1 37 37 LEU H H 28 8.086 8.086 7.754 0.332 18221 2261 1 5 . 1 1 38 38 VAL N N 29 119.468 119.468 118.881 0.587 18221 2262 1 5 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.526 0.127 18221 2263 1 5 . 1 1 38 38 VAL C C 29 178.639 178.639 177.619 1.020 18221 2264 1 5 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.339 -0.866 18221 2265 1 5 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.837 -0.228 18221 2266 1 5 . 1 1 38 38 VAL H H 29 8.066 8.066 8.174 -0.108 18221 2267 1 5 . 1 1 39 39 ALA N N 30 124.255 124.255 122.440 1.815 18221 2268 1 5 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.148 0.017 18221 2269 1 5 . 1 1 39 39 ALA C C 30 180.303 180.303 180.054 0.249 18221 2270 1 5 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.182 -0.348 18221 2271 1 5 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.276 -0.568 18221 2272 1 5 . 1 1 39 39 ALA H H 30 7.688 7.688 7.929 -0.241 18221 2273 1 5 . 1 1 40 40 LEU N N 31 118.268 118.268 118.427 -0.159 18221 2274 1 5 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.105 0.036 18221 2275 1 5 . 1 1 40 40 LEU C C 31 179.271 179.271 178.750 0.521 18221 2276 1 5 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.694 -0.617 18221 2277 1 5 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.004 -1.102 18221 2278 1 5 . 1 1 40 40 LEU H H 31 8.326 8.326 8.210 0.116 18221 2279 1 5 . 1 1 41 41 SER N N 32 114.984 114.984 114.921 0.063 18221 2280 1 5 . 1 1 41 41 SER HA H 32 3.952 3.952 4.158 -0.206 18221 2281 1 5 . 1 1 41 41 SER C C 32 176.284 176.284 176.304 -0.020 18221 2282 1 5 . 1 1 41 41 SER CA C 32 60.885 60.885 61.763 -0.878 18221 2283 1 5 . 1 1 41 41 SER CB C 32 62.410 62.410 63.312 -0.902 18221 2284 1 5 . 1 1 41 41 SER H H 32 8.062 8.062 8.007 0.055 18221 2285 1 5 . 1 1 42 42 ALA N N 33 124.588 124.588 124.255 0.333 18221 2286 1 5 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.065 0.160 18221 2287 1 5 . 1 1 42 42 ALA C C 33 179.033 179.033 179.124 -0.091 18221 2288 1 5 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.772 -1.059 18221 2289 1 5 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.351 -0.422 18221 2290 1 5 . 1 1 42 42 ALA H H 33 7.813 7.813 8.210 -0.397 18221 2291 1 5 . 1 1 43 43 MET N N 34 116.808 116.808 116.998 -0.190 18221 2292 1 5 . 1 1 43 43 MET HA H 34 4.285 4.285 4.169 0.116 18221 2293 1 5 . 1 1 43 43 MET C C 34 176.807 176.807 177.895 -1.088 18221 2294 1 5 . 1 1 43 43 MET CA C 34 56.576 56.576 57.629 -1.053 18221 2295 1 5 . 1 1 43 43 MET CB C 34 32.435 32.435 33.035 -0.600 18221 2296 1 5 . 1 1 43 43 MET H H 34 7.691 7.691 7.547 0.144 18221 2297 1 5 . 1 1 44 44 GLY N N 35 107.020 107.020 101.985 5.035 18221 2298 1 5 . 1 1 44 44 GLY C C 35 174.493 174.493 174.364 0.129 18221 2299 1 5 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.599 0.466 18221 2300 1 5 . 1 1 44 44 GLY H H 35 7.793 7.793 8.244 -0.451 18221 2301 1 5 . 1 1 45 45 PHE N N 36 120.285 120.285 121.245 -0.960 18221 2302 1 5 . 1 1 45 45 PHE HA H 36 4.507 4.507 3.999 0.508 18221 2303 1 5 . 1 1 45 45 PHE C C 36 176.876 176.876 175.035 1.841 18221 2304 1 5 . 1 1 45 45 PHE CA C 36 58.937 58.937 60.316 -1.379 18221 2305 1 5 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.205 -1.027 18221 2306 1 5 . 1 1 45 45 PHE H H 36 8.215 8.215 8.057 0.158 18221 2307 1 5 . 1 1 46 46 THR N N 37 114.008 114.008 111.511 2.497 18221 2308 1 5 . 1 1 46 46 THR HA H 37 4.080 4.080 3.995 0.085 18221 2309 1 5 . 1 1 46 46 THR C C 37 175.751 175.751 173.052 2.699 18221 2310 1 5 . 1 1 46 46 THR CA C 37 64.220 64.220 63.404 0.816 18221 2311 1 5 . 1 1 46 46 THR CB C 37 68.514 68.514 68.641 -0.127 18221 2312 1 5 . 1 1 46 46 THR H H 37 8.111 8.111 8.159 -0.048 18221 2313 1 5 . 1 1 47 47 SER N N 38 116.646 116.646 117.227 -0.581 18221 2314 1 5 . 1 1 47 47 SER HA H 38 3.918 3.918 4.583 -0.665 18221 2315 1 5 . 1 1 47 47 SER C C 38 176.744 176.744 175.674 1.070 18221 2316 1 5 . 1 1 47 47 SER CA C 38 59.911 59.911 59.629 0.282 18221 2317 1 5 . 1 1 47 47 SER CB C 38 62.624 62.624 63.753 -1.129 18221 2318 1 5 . 1 1 47 47 SER H H 38 8.079 8.079 8.234 -0.155 18221 2319 1 5 . 1 1 48 48 VAL N N 39 121.929 121.929 121.459 0.470 18221 2320 1 5 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.770 0.139 18221 2321 1 5 . 1 1 48 48 VAL C C 39 177.033 177.033 177.541 -0.508 18221 2322 1 5 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.507 -0.519 18221 2323 1 5 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.383 0.284 18221 2324 1 5 . 1 1 48 48 VAL H H 39 7.985 7.985 8.016 -0.031 18221 2325 1 5 . 1 1 49 49 GLY N N 40 108.633 108.633 107.974 0.659 18221 2326 1 5 . 1 1 49 49 GLY C C 40 176.038 176.038 176.500 -0.462 18221 2327 1 5 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.635 -0.770 18221 2328 1 5 . 1 1 49 49 GLY H H 40 8.267 8.267 8.313 -0.046 18221 2329 1 5 . 1 1 50 50 ILE N N 41 122.466 122.466 123.650 -1.184 18221 2330 1 5 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.616 0.255 18221 2331 1 5 . 1 1 50 50 ILE C C 41 178.363 178.363 178.098 0.265 18221 2332 1 5 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.308 -0.793 18221 2333 1 5 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.715 -0.477 18221 2334 1 5 . 1 1 50 50 ILE H H 41 7.865 7.865 7.971 -0.106 18221 2335 1 5 . 1 1 51 51 ALA N N 42 125.064 125.064 121.909 3.155 18221 2336 1 5 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.805 0.294 18221 2337 1 5 . 1 1 51 51 ALA C C 42 179.385 179.385 179.009 0.376 18221 2338 1 5 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.438 -0.958 18221 2339 1 5 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.028 -0.541 18221 2340 1 5 . 1 1 51 51 ALA H H 42 7.930 7.930 8.467 -0.537 18221 2341 1 5 . 1 1 52 52 ALA N N 43 120.594 120.594 119.916 0.678 18221 2342 1 5 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.970 -0.033 18221 2343 1 5 . 1 1 52 52 ALA C C 43 179.088 179.088 180.056 -0.968 18221 2344 1 5 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.855 0.245 18221 2345 1 5 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.042 -0.407 18221 2346 1 5 . 1 1 52 52 ALA H H 43 8.639 8.639 8.133 0.506 18221 2347 1 5 . 1 1 53 53 SER N N 44 113.012 113.012 114.696 -1.684 18221 2348 1 5 . 1 1 53 53 SER HA H 44 3.966 3.966 4.179 -0.213 18221 2349 1 5 . 1 1 53 53 SER C C 44 176.898 176.898 176.725 0.173 18221 2350 1 5 . 1 1 53 53 SER CA C 44 61.139 61.139 61.502 -0.363 18221 2351 1 5 . 1 1 53 53 SER CB C 44 62.347 62.347 63.100 -0.753 18221 2352 1 5 . 1 1 53 53 SER H H 44 8.193 8.193 8.097 0.096 18221 2353 1 5 . 1 1 54 54 SER N N 45 118.714 118.714 118.351 0.363 18221 2354 1 5 . 1 1 54 54 SER HA H 45 3.975 3.975 4.063 -0.088 18221 2355 1 5 . 1 1 54 54 SER C C 45 177.131 177.131 176.811 0.320 18221 2356 1 5 . 1 1 54 54 SER CA C 45 61.210 61.210 62.224 -1.014 18221 2357 1 5 . 1 1 54 54 SER CB C 45 62.255 62.255 63.062 -0.806 18221 2358 1 5 . 1 1 54 54 SER H H 45 7.944 7.944 8.116 -0.172 18221 2359 1 5 . 1 1 55 55 ILE N N 46 122.912 122.912 120.689 2.223 18221 2360 1 5 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.811 -0.054 18221 2361 1 5 . 1 1 55 55 ILE C C 46 177.813 177.813 177.025 0.788 18221 2362 1 5 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.824 -0.633 18221 2363 1 5 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.040 -1.114 18221 2364 1 5 . 1 1 55 55 ILE H H 46 8.028 8.028 8.376 -0.348 18221 2365 1 5 . 1 1 56 56 ALA N N 47 122.990 122.990 120.699 2.291 18221 2366 1 5 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.898 0.058 18221 2367 1 5 . 1 1 56 56 ALA C C 47 180.294 180.294 179.345 0.949 18221 2368 1 5 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.602 -0.264 18221 2369 1 5 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.744 -1.042 18221 2370 1 5 . 1 1 56 56 ALA H H 47 8.333 8.333 7.581 0.752 18221 2371 1 5 . 1 1 57 57 ALA N N 48 121.988 121.988 121.560 0.428 18221 2372 1 5 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.159 -0.091 18221 2373 1 5 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.096 0.326 18221 2374 1 5 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.470 -1.768 18221 2375 1 5 . 1 1 57 57 ALA H H 48 7.879 7.879 7.977 -0.098 18221 2376 1 5 . 1 1 58 58 LYS N N 49 119.094 119.094 115.673 3.421 18221 2377 1 5 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.592 -0.446 18221 2378 1 5 . 1 1 58 58 LYS C C 49 179.649 179.649 176.640 3.009 18221 2379 1 5 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.026 1.131 18221 2380 1 5 . 1 1 58 58 LYS CB C 49 31.330 31.330 34.294 -2.964 18221 2381 1 5 . 1 1 58 58 LYS H H 49 7.727 7.727 8.193 -0.466 18221 2382 1 5 . 1 1 59 59 MET N N 50 120.498 120.498 122.872 -2.374 18221 2383 1 5 . 1 1 59 59 MET HA H 50 4.156 4.156 4.399 -0.243 18221 2384 1 5 . 1 1 59 59 MET C C 50 177.949 177.949 177.125 0.824 18221 2385 1 5 . 1 1 59 59 MET CA C 50 57.136 57.136 58.205 -1.069 18221 2386 1 5 . 1 1 59 59 MET CB C 50 31.922 31.922 33.272 -1.349 18221 2387 1 5 . 1 1 59 59 MET H H 50 8.395 8.395 8.706 -0.311 18221 2388 1 5 . 1 1 60 60 MET N N 51 117.689 117.689 117.453 0.236 18221 2389 1 5 . 1 1 60 60 MET HA H 51 4.222 4.222 4.791 -0.569 18221 2390 1 5 . 1 1 60 60 MET C C 51 177.674 177.674 174.969 2.705 18221 2391 1 5 . 1 1 60 60 MET CA C 51 57.638 57.638 54.652 2.986 18221 2392 1 5 . 1 1 60 60 MET CB C 51 31.785 31.785 35.242 -3.457 18221 2393 1 5 . 1 1 60 60 MET H H 51 8.234 8.234 7.974 0.260 18221 2394 1 5 . 1 1 61 61 SER N N 52 114.385 114.385 117.191 -2.806 18221 2395 1 5 . 1 1 61 61 SER HA H 52 4.001 4.001 4.301 -0.300 18221 2396 1 5 . 1 1 61 61 SER C C 52 176.079 176.079 172.473 3.606 18221 2397 1 5 . 1 1 61 61 SER CA C 52 59.911 59.911 59.356 0.555 18221 2398 1 5 . 1 1 61 61 SER CB C 52 62.624 62.624 63.124 -0.500 18221 2399 1 5 . 1 1 61 61 SER H H 52 7.893 7.893 8.802 -0.909 18221 2400 1 5 . 1 1 62 62 THR N N 53 117.304 117.304 117.682 -0.378 18221 2401 1 5 . 1 1 62 62 THR HA H 53 4.104 4.104 4.890 -0.786 18221 2402 1 5 . 1 1 62 62 THR C C 53 175.436 175.436 172.258 3.178 18221 2403 1 5 . 1 1 62 62 THR CA C 53 64.220 64.220 62.105 2.115 18221 2404 1 5 . 1 1 62 62 THR CB C 53 68.514 68.514 69.677 -1.163 18221 2405 1 5 . 1 1 62 62 THR H H 53 7.794 7.794 8.213 -0.419 18221 2406 1 5 . 1 1 63 63 ALA N N 54 125.382 125.382 129.036 -3.654 18221 2407 1 5 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.555 -0.461 18221 2408 1 5 . 1 1 63 63 ALA C C 54 178.328 178.328 175.399 2.929 18221 2409 1 5 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.221 0.875 18221 2410 1 5 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.806 -2.098 18221 2411 1 5 . 1 1 63 63 ALA H H 54 8.204 8.204 8.704 -0.500 18221 2412 1 5 . 1 1 64 64 ALA N N 55 119.929 119.929 125.251 -5.322 18221 2413 1 5 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.394 -0.269 18221 2414 1 5 . 1 1 64 64 ALA C C 55 179.183 179.183 176.953 2.230 18221 2415 1 5 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.384 1.653 18221 2416 1 5 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.134 -1.426 18221 2417 1 5 . 1 1 64 64 ALA H H 55 7.951 7.951 8.576 -0.625 18221 2418 1 5 . 1 1 65 65 ILE N N 56 117.016 117.016 118.992 -1.976 18221 2419 1 5 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.309 -0.359 18221 2420 1 5 . 1 1 65 65 ILE C C 56 177.222 177.222 175.269 1.953 18221 2421 1 5 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.345 1.839 18221 2422 1 5 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.380 0.693 18221 2423 1 5 . 1 1 65 65 ILE H H 56 7.561 7.561 8.068 -0.507 18221 2424 1 5 . 1 1 66 66 ALA N N 57 124.191 124.191 125.115 -0.924 18221 2425 1 5 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.069 0.108 18221 2426 1 5 . 1 1 66 66 ALA C C 57 178.190 178.190 175.887 2.303 18221 2427 1 5 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.167 1.369 18221 2428 1 5 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.988 -1.059 18221 2429 1 5 . 1 1 66 66 ALA H H 57 7.982 7.982 7.946 0.036 18221 2430 1 5 . 1 1 67 67 ASN N N 58 116.132 116.132 119.826 -3.694 18221 2431 1 5 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.906 -0.233 18221 2432 1 5 . 1 1 67 67 ASN C C 58 176.344 176.344 175.041 1.303 18221 2433 1 5 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.251 0.226 18221 2434 1 5 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.064 -0.592 18221 2435 1 5 . 1 1 67 67 ASN H H 58 8.113 8.113 8.486 -0.373 18221 2436 1 5 . 1 1 68 68 GLY N N 59 108.808 108.808 111.740 -2.932 18221 2437 1 5 . 1 1 68 68 GLY C C 59 174.958 174.958 173.524 1.434 18221 2438 1 5 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.727 0.928 18221 2439 1 5 . 1 1 68 68 GLY H H 59 8.152 8.152 8.408 -0.256 18221 2440 1 5 . 1 1 69 69 GLY N N 60 108.832 108.832 107.044 1.788 18221 2441 1 5 . 1 1 69 69 GLY C C 60 174.631 174.631 174.161 0.470 18221 2442 1 5 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.707 0.712 18221 2443 1 5 . 1 1 69 69 GLY H H 60 8.218 8.218 8.300 -0.082 18221 2444 1 5 . 1 1 70 70 GLY N N 61 108.966 108.966 110.597 -1.631 18221 2445 1 5 . 1 1 70 70 GLY C C 61 174.594 174.594 173.426 1.168 18221 2446 1 5 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.320 0.040 18221 2447 1 5 . 1 1 70 70 GLY H H 61 8.175 8.175 8.118 0.057 18221 2448 1 5 . 1 1 71 71 VAL N N 62 120.209 120.209 121.692 -1.483 18221 2449 1 5 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.205 -0.199 18221 2450 1 5 . 1 1 71 71 VAL C C 62 176.077 176.077 176.110 -0.033 18221 2451 1 5 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.920 -0.530 18221 2452 1 5 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.666 -0.968 18221 2453 1 5 . 1 1 71 71 VAL H H 62 7.882 7.882 8.520 -0.638 18221 2454 1 5 . 1 1 72 72 ALA N N 63 126.966 126.966 122.099 4.867 18221 2455 1 5 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.598 -0.572 18221 2456 1 5 . 1 1 72 72 ALA C C 63 178.064 178.064 175.936 2.128 18221 2457 1 5 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.906 0.597 18221 2458 1 5 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.445 -1.220 18221 2459 1 5 . 1 1 72 72 ALA H H 63 8.237 8.237 7.916 0.321 18221 2460 1 5 . 1 1 73 73 ALA N N 64 123.432 123.432 122.637 0.795 18221 2461 1 5 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.558 -0.543 18221 2462 1 5 . 1 1 73 73 ALA C C 64 178.995 178.995 177.790 1.205 18221 2463 1 5 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.347 2.074 18221 2464 1 5 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.555 -1.552 18221 2465 1 5 . 1 1 73 73 ALA H H 64 8.421 8.421 8.312 0.109 18221 2466 1 5 . 1 1 74 74 GLY N N 65 105.577 105.577 107.447 -1.870 18221 2467 1 5 . 1 1 74 74 GLY C C 65 176.367 176.367 175.671 0.696 18221 2468 1 5 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.133 1.111 18221 2469 1 5 . 1 1 74 74 GLY H H 65 8.448 8.448 7.963 0.485 18221 2470 1 5 . 1 1 75 75 SER N N 66 117.656 117.656 118.256 -0.600 18221 2471 1 5 . 1 1 75 75 SER HA H 66 4.394 4.394 4.082 0.312 18221 2472 1 5 . 1 1 75 75 SER C C 66 176.329 176.329 176.807 -0.478 18221 2473 1 5 . 1 1 75 75 SER CA C 66 60.236 60.236 60.925 -0.689 18221 2474 1 5 . 1 1 75 75 SER CB C 66 62.476 62.476 63.143 -0.667 18221 2475 1 5 . 1 1 75 75 SER H H 66 7.899 7.899 8.513 -0.614 18221 2476 1 5 . 1 1 76 76 LEU N N 67 122.743 122.743 122.738 0.005 18221 2477 1 5 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.965 0.085 18221 2478 1 5 . 1 1 76 76 LEU C C 67 178.442 178.442 178.204 0.238 18221 2479 1 5 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.162 -0.642 18221 2480 1 5 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.894 -1.212 18221 2481 1 5 . 1 1 76 76 LEU H H 67 7.955 7.955 8.279 -0.324 18221 2482 1 5 . 1 1 77 77 VAL N N 68 118.400 118.400 118.640 -0.240 18221 2483 1 5 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.454 0.017 18221 2484 1 5 . 1 1 77 77 VAL C C 68 177.297 177.297 177.470 -0.173 18221 2485 1 5 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.607 0.063 18221 2486 1 5 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.222 -0.702 18221 2487 1 5 . 1 1 77 77 VAL H H 68 8.039 8.039 8.275 -0.236 18221 2488 1 5 . 1 1 78 78 ALA N N 69 121.927 121.927 122.004 -0.077 18221 2489 1 5 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.031 0.174 18221 2490 1 5 . 1 1 78 78 ALA C C 69 181.258 181.258 179.521 1.737 18221 2491 1 5 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.534 -0.552 18221 2492 1 5 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.906 -0.492 18221 2493 1 5 . 1 1 78 78 ALA H H 69 7.631 7.631 8.007 -0.376 18221 2494 1 5 . 1 1 79 79 ILE N N 70 119.782 119.782 119.184 0.598 18221 2495 1 5 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.745 0.051 18221 2496 1 5 . 1 1 79 79 ILE C C 70 178.253 178.253 178.257 -0.004 18221 2497 1 5 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.393 0.959 18221 2498 1 5 . 1 1 79 79 ILE CB C 70 37.073 37.073 36.931 0.142 18221 2499 1 5 . 1 1 79 79 ILE H H 70 7.841 7.841 7.326 0.515 18221 2500 1 5 . 1 1 80 80 LEU N N 71 120.841 120.841 119.961 0.880 18221 2501 1 5 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.761 0.176 18221 2502 1 5 . 1 1 80 80 LEU C C 71 179.234 179.234 179.045 0.189 18221 2503 1 5 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.463 -0.618 18221 2504 1 5 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.568 -1.549 18221 2505 1 5 . 1 1 80 80 LEU H H 71 8.190 8.190 8.451 -0.261 18221 2506 1 5 . 1 1 81 81 GLN N N 72 117.558 117.558 117.559 -0.001 18221 2507 1 5 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.868 0.101 18221 2508 1 5 . 1 1 81 81 GLN C C 72 178.530 178.530 178.483 0.047 18221 2509 1 5 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.247 -0.428 18221 2510 1 5 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.352 -1.071 18221 2511 1 5 . 1 1 81 81 GLN H H 72 8.489 8.489 8.259 0.230 18221 2512 1 5 . 1 1 82 82 SER N N 73 116.103 116.103 114.842 1.261 18221 2513 1 5 . 1 1 82 82 SER HA H 73 4.233 4.233 4.130 0.103 18221 2514 1 5 . 1 1 82 82 SER C C 73 177.243 177.243 176.996 0.247 18221 2515 1 5 . 1 1 82 82 SER CA C 73 61.044 61.044 61.427 -0.383 18221 2516 1 5 . 1 1 82 82 SER CB C 73 62.257 62.257 63.114 -0.857 18221 2517 1 5 . 1 1 82 82 SER H H 73 7.855 7.855 8.051 -0.196 18221 2518 1 5 . 1 1 83 83 VAL N N 74 120.362 120.362 121.544 -1.182 18221 2519 1 5 . 1 1 83 83 VAL C C 74 177.979 177.979 178.239 -0.260 18221 2520 1 5 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.191 -0.085 18221 2521 1 5 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.189 -0.448 18221 2522 1 5 . 1 1 83 83 VAL H H 74 8.030 8.030 8.086 -0.056 18221 2523 1 5 . 1 1 84 84 GLY N N 75 108.223 108.223 107.606 0.617 18221 2524 1 5 . 1 1 84 84 GLY C C 75 174.913 174.913 175.292 -0.379 18221 2525 1 5 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.019 -0.242 18221 2526 1 5 . 1 1 84 84 GLY H H 75 8.369 8.369 7.896 0.473 18221 2527 1 5 . 1 1 85 85 ALA N N 76 123.550 123.550 124.404 -0.854 18221 2528 1 5 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.038 0.056 18221 2529 1 5 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.908 -0.310 18221 2530 1 5 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.238 -0.615 18221 2531 1 5 . 1 1 85 85 ALA H H 76 8.115 8.115 8.077 0.038 18221 2532 1 5 . 1 1 86 86 ALA N N 77 120.410 120.410 121.139 -0.729 18221 2533 1 5 . 1 1 86 86 ALA C C 77 178.988 178.988 179.639 -0.651 18221 2534 1 5 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.262 -0.426 18221 2535 1 5 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.913 -0.403 18221 2536 1 5 . 1 1 86 86 ALA H H 77 8.632 8.632 8.194 0.438 18221 2537 1 5 . 1 1 87 87 GLY N N 78 105.706 105.706 107.289 -1.583 18221 2538 1 5 . 1 1 87 87 GLY C C 78 175.939 175.939 176.182 -0.243 18221 2539 1 5 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.019 -0.901 18221 2540 1 5 . 1 1 87 87 GLY H H 78 8.196 8.196 7.919 0.277 18221 2541 1 5 . 1 1 88 88 LEU N N 79 124.128 124.128 121.683 2.445 18221 2542 1 5 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.898 -0.496 18221 2543 1 5 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.787 -1.400 18221 2544 1 5 . 1 1 88 88 LEU H H 79 8.449 8.449 8.029 0.420 18221 2545 1 5 . 1 1 89 89 SER N N 80 116.251 116.251 115.167 1.084 18221 2546 1 5 . 1 1 89 89 SER C C 80 179.153 179.153 176.647 2.506 18221 2547 1 5 . 1 1 89 89 SER CA C 80 61.023 61.023 62.492 -1.468 18221 2548 1 5 . 1 1 89 89 SER CB C 80 62.255 62.255 63.080 -0.825 18221 2549 1 5 . 1 1 89 89 SER H H 80 8.120 8.120 8.162 -0.042 18221 2550 1 5 . 1 1 90 90 VAL N N 81 119.310 119.310 118.600 0.710 18221 2551 1 5 . 1 1 90 90 VAL C C 81 177.652 177.652 177.870 -0.218 18221 2552 1 5 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.760 -0.684 18221 2553 1 5 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.361 -0.031 18221 2554 1 5 . 1 1 90 90 VAL H H 81 7.955 7.955 8.117 -0.162 18221 2555 1 5 . 1 1 91 91 THR N N 82 115.535 115.535 117.811 -2.276 18221 2556 1 5 . 1 1 91 91 THR C C 82 176.571 176.571 176.680 -0.109 18221 2557 1 5 . 1 1 91 91 THR CA C 82 66.434 66.434 67.158 -0.724 18221 2558 1 5 . 1 1 91 91 THR CB C 82 67.742 67.742 68.668 -0.926 18221 2559 1 5 . 1 1 91 91 THR H H 82 7.888 7.888 8.441 -0.553 18221 2560 1 5 . 1 1 92 92 SER N N 83 116.537 116.537 117.332 -0.795 18221 2561 1 5 . 1 1 92 92 SER HA H 83 4.040 4.040 3.985 0.055 18221 2562 1 5 . 1 1 92 92 SER C C 83 176.761 176.761 176.155 0.606 18221 2563 1 5 . 1 1 92 92 SER CA C 83 61.564 61.564 62.273 -0.709 18221 2564 1 5 . 1 1 92 92 SER CB C 83 62.009 62.009 63.010 -1.000 18221 2565 1 5 . 1 1 92 92 SER H H 83 8.212 8.212 8.088 0.124 18221 2566 1 5 . 1 1 93 93 LYS N N 84 122.353 122.353 120.998 1.355 18221 2567 1 5 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.988 0.131 18221 2568 1 5 . 1 1 93 93 LYS C C 84 172.812 172.812 178.130 -5.318 18221 2569 1 5 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.659 -1.224 18221 2570 1 5 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.570 -1.093 18221 2571 1 5 . 1 1 93 93 LYS H H 84 7.642 7.642 8.152 -0.510 18221 2572 1 5 . 1 1 94 94 VAL N N 85 119.348 119.348 117.798 1.550 18221 2573 1 5 . 1 1 94 94 VAL C C 85 177.948 177.948 176.927 1.021 18221 2574 1 5 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.911 0.478 18221 2575 1 5 . 1 1 94 94 VAL CB C 85 31.846 31.846 32.173 -0.327 18221 2576 1 5 . 1 1 94 94 VAL H H 85 8.414 8.414 7.657 0.757 18221 2577 1 5 . 1 1 95 95 ILE N N 86 118.769 118.769 117.701 1.068 18221 2578 1 5 . 1 1 95 95 ILE C C 86 177.972 177.972 176.549 1.423 18221 2579 1 5 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.436 0.401 18221 2580 1 5 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.829 -2.197 18221 2581 1 5 . 1 1 95 95 ILE H H 86 8.169 8.169 7.628 0.541 18221 2582 1 5 . 1 1 96 96 GLY N N 87 107.955 107.955 106.780 1.175 18221 2583 1 5 . 1 1 96 96 GLY C C 87 176.571 176.571 174.769 1.802 18221 2584 1 5 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.753 1.758 18221 2585 1 5 . 1 1 96 96 GLY H H 87 8.182 8.182 8.351 -0.169 18221 2586 1 5 . 1 1 97 97 GLY N N 88 109.117 109.117 107.863 1.254 18221 2587 1 5 . 1 1 97 97 GLY C C 88 175.524 175.524 174.030 1.494 18221 2588 1 5 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.264 -0.432 18221 2589 1 5 . 1 1 97 97 GLY H H 88 7.953 7.953 8.444 -0.491 18221 2590 1 5 . 1 1 98 98 PHE N N 89 121.100 121.100 121.302 -0.202 18221 2591 1 5 . 1 1 98 98 PHE C C 89 176.367 176.367 173.724 2.643 18221 2592 1 5 . 1 1 98 98 PHE CA C 89 56.900 56.900 56.721 0.179 18221 2593 1 5 . 1 1 98 98 PHE CB C 89 38.832 38.832 42.050 -3.218 18221 2594 1 5 . 1 1 98 98 PHE H H 89 8.000 8.000 8.060 -0.060 18221 2595 1 5 . 1 1 99 99 ALA N N 90 122.834 122.834 125.821 -2.987 18221 2596 1 5 . 1 1 99 99 ALA C C 90 178.348 178.348 175.787 2.561 18221 2597 1 5 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.407 2.870 18221 2598 1 5 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.179 -2.765 18221 2599 1 5 . 1 1 99 99 ALA H H 90 8.322 8.322 8.552 -0.230 18221 2600 1 5 . 1 1 100 100 GLY N N 91 106.688 106.688 111.068 -4.380 18221 2601 1 5 . 1 1 100 100 GLY C C 91 175.878 175.878 173.695 2.183 18221 2602 1 5 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.039 -0.413 18221 2603 1 5 . 1 1 100 100 GLY H H 91 8.000 8.000 8.582 -0.582 18221 2604 1 5 . 1 1 101 101 THR N N 92 115.689 115.689 119.756 -4.067 18221 2605 1 5 . 1 1 101 101 THR C C 92 178.476 178.476 172.911 5.565 18221 2606 1 5 . 1 1 101 101 THR CA C 92 63.364 63.364 62.624 0.739 18221 2607 1 5 . 1 1 101 101 THR CB C 92 69.619 69.619 67.830 1.789 18221 2608 1 5 . 1 1 101 101 THR H H 92 7.754 7.754 8.242 -0.488 18221 2609 1 5 . 1 1 102 102 ALA N N 93 124.835 124.835 128.349 -3.514 18221 2610 1 5 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.547 1.764 18221 2611 1 5 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.443 -2.764 18221 2612 1 5 . 1 1 102 102 ALA H H 93 7.919 7.919 8.051 -0.132 18221 2613 1 5 . 1 1 103 103 LEU N N 94 117.445 117.445 124.048 -6.603 18221 2614 1 5 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.875 0.907 18221 2615 1 5 . 1 1 103 103 LEU CB C 94 40.902 40.902 43.068 -2.166 18221 2616 1 5 . 1 1 103 103 LEU H H 94 8.037 8.037 8.865 -0.828 18221 2617 1 5 . 1 1 104 104 GLY N N 95 106.296 106.296 115.507 -9.211 18221 2618 1 5 . 1 1 104 104 GLY C C 95 175.851 175.851 172.884 2.967 18221 2619 1 5 . 1 1 104 104 GLY CA C 95 46.570 46.570 46.068 0.502 18221 2620 1 5 . 1 1 104 104 GLY H H 95 7.900 7.900 8.630 -0.730 18221 2621 1 5 . 1 1 105 105 ALA N N 96 123.872 123.872 121.665 2.207 18221 2622 1 5 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.889 2.236 18221 2623 1 5 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.697 -1.110 18221 2624 1 5 . 1 1 105 105 ALA H H 96 7.804 7.804 7.661 0.143 18221 2625 1 5 . 1 1 106 106 TRP N N 97 120.348 120.348 121.842 -1.494 18221 2626 1 5 . 1 1 106 106 TRP C C 97 176.857 176.857 176.395 0.462 18221 2627 1 5 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.775 -0.875 18221 2628 1 5 . 1 1 106 106 TRP H H 97 8.385 8.385 8.526 -0.141 18221 2629 1 5 . 1 1 107 107 LEU N N 98 117.756 117.756 117.184 0.572 18221 2630 1 5 . 1 1 107 107 LEU C C 98 177.659 177.659 174.964 2.695 18221 2631 1 5 . 1 1 107 107 LEU CA C 98 55.103 55.103 54.210 0.893 18221 2632 1 5 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.849 -2.431 18221 2633 1 5 . 1 1 107 107 LEU H H 98 7.880 7.880 7.534 0.346 18221 2634 1 5 . 1 1 108 108 GLY N N 99 107.285 107.285 110.258 -2.973 18221 2635 1 5 . 1 1 108 108 GLY C C 99 173.815 173.815 174.067 -0.252 18221 2636 1 5 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.716 -0.769 18221 2637 1 5 . 1 1 108 108 GLY H H 99 7.694 7.694 8.377 -0.683 18221 2638 1 5 . 1 1 109 109 SER N N 100 117.139 117.139 119.403 -2.264 18221 2639 1 5 . 1 1 109 109 SER C C 100 172.179 172.179 172.989 -0.810 18221 2640 1 5 . 1 1 109 109 SER CA C 100 56.015 56.015 56.673 -0.658 18221 2641 1 5 . 1 1 109 109 SER CB C 100 62.771 62.771 64.552 -1.780 18221 2642 1 5 . 1 1 109 109 SER H H 100 8.030 8.030 8.332 -0.302 18221 2643 1 5 . 1 1 111 111 PRO C C 102 177.073 177.073 177.106 -0.033 18221 2644 1 5 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.972 -1.773 18221 2645 1 5 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.973 -0.762 18221 2646 1 5 . 1 1 112 112 SER N N 103 117.115 117.115 114.611 2.504 18221 2647 1 5 . 1 1 112 112 SER C C 103 173.898 173.898 175.114 -1.216 18221 2648 1 5 . 1 1 112 112 SER CA C 103 57.904 57.904 58.149 -0.245 18221 2649 1 5 . 1 1 112 112 SER CB C 103 63.360 63.360 64.216 -0.856 18221 2650 1 5 . 1 1 112 112 SER H H 103 8.345 8.345 7.928 0.417 18221 2651 1 6 . 1 1 11 11 GLY N N 2 109.366 109.366 108.622 0.744 18221 2652 1 6 . 1 1 11 11 GLY C C 2 174.543 174.543 174.694 -0.151 18221 2653 1 6 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.787 0.908 18221 2654 1 6 . 1 1 11 11 GLY H H 2 8.271 8.271 8.519 -0.248 18221 2655 1 6 . 1 1 12 12 LYS N N 3 121.129 121.129 120.730 0.399 18221 2656 1 6 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.317 -0.185 18221 2657 1 6 . 1 1 12 12 LYS C C 3 177.234 177.234 176.326 0.908 18221 2658 1 6 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.820 -0.008 18221 2659 1 6 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.809 -0.963 18221 2660 1 6 . 1 1 12 12 LYS H H 3 8.057 8.057 8.550 -0.493 18221 2661 1 6 . 1 1 13 13 GLU N N 4 120.318 120.318 119.510 0.808 18221 2662 1 6 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.399 -0.244 18221 2663 1 6 . 1 1 13 13 GLU C C 4 176.857 176.857 174.809 2.048 18221 2664 1 6 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.600 0.271 18221 2665 1 6 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.374 -1.986 18221 2666 1 6 . 1 1 13 13 GLU H H 4 8.398 8.398 7.895 0.503 18221 2667 1 6 . 1 1 14 14 SER N N 5 115.504 115.504 117.006 -1.502 18221 2668 1 6 . 1 1 14 14 SER HA H 5 3.843 3.843 4.620 -0.777 18221 2669 1 6 . 1 1 14 14 SER C C 5 175.337 175.337 174.764 0.573 18221 2670 1 6 . 1 1 14 14 SER CA C 5 58.524 58.524 58.546 -0.022 18221 2671 1 6 . 1 1 14 14 SER CB C 5 63.360 63.360 64.311 -0.951 18221 2672 1 6 . 1 1 14 14 SER H H 5 8.089 8.089 8.721 -0.632 18221 2673 1 6 . 1 1 15 15 GLY N N 6 110.761 110.761 114.076 -3.315 18221 2674 1 6 . 1 1 15 15 GLY C C 6 174.581 174.581 173.989 0.592 18221 2675 1 6 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.023 0.543 18221 2676 1 6 . 1 1 15 15 GLY H H 6 8.197 8.197 8.612 -0.415 18221 2677 1 6 . 1 1 16 16 TRP N N 7 121.800 121.800 124.086 -2.286 18221 2678 1 6 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.305 0.255 18221 2679 1 6 . 1 1 16 16 TRP C C 7 176.920 176.920 175.170 1.750 18221 2680 1 6 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.900 1.181 18221 2681 1 6 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.703 -0.024 18221 2682 1 6 . 1 1 16 16 TRP H H 7 8.184 8.184 8.285 -0.101 18221 2683 1 6 . 1 1 17 17 ASP N N 8 121.132 121.132 124.256 -3.124 18221 2684 1 6 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.478 -0.083 18221 2685 1 6 . 1 1 17 17 ASP C C 8 176.941 176.941 175.925 1.016 18221 2686 1 6 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.827 0.417 18221 2687 1 6 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.623 -1.678 18221 2688 1 6 . 1 1 17 17 ASP H H 8 8.332 8.332 8.379 -0.047 18221 2689 1 6 . 1 1 18 18 SER N N 9 116.148 116.148 119.757 -3.609 18221 2690 1 6 . 1 1 18 18 SER HA H 9 3.861 3.861 4.478 -0.617 18221 2691 1 6 . 1 1 18 18 SER CA C 9 60.081 60.081 58.306 1.775 18221 2692 1 6 . 1 1 18 18 SER CB C 9 62.255 62.255 64.433 -2.178 18221 2693 1 6 . 1 1 18 18 SER H H 9 8.129 8.129 8.561 -0.432 18221 2694 1 6 . 1 1 19 19 GLY N N 10 110.747 110.747 112.322 -1.575 18221 2695 1 6 . 1 1 19 19 GLY C C 10 174.682 174.682 175.224 -0.542 18221 2696 1 6 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.106 1.494 18221 2697 1 6 . 1 1 19 19 GLY H H 10 8.216 8.216 8.445 -0.229 18221 2698 1 6 . 1 1 20 20 ARG N N 11 121.405 121.405 122.396 -0.991 18221 2699 1 6 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.888 -0.031 18221 2700 1 6 . 1 1 20 20 ARG C C 11 178.328 178.328 178.488 -0.160 18221 2701 1 6 . 1 1 20 20 ARG CA C 11 59.085 59.085 59.306 -0.221 18221 2702 1 6 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.122 -1.075 18221 2703 1 6 . 1 1 20 20 ARG H H 11 8.158 8.158 8.726 -0.568 18221 2704 1 6 . 1 1 21 21 ALA N N 12 122.167 122.167 121.389 0.778 18221 2705 1 6 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.001 0.099 18221 2706 1 6 . 1 1 21 21 ALA C C 12 180.129 180.129 179.402 0.727 18221 2707 1 6 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.607 -0.215 18221 2708 1 6 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.981 -0.567 18221 2709 1 6 . 1 1 21 21 ALA H H 12 7.963 7.963 7.927 0.036 18221 2710 1 6 . 1 1 22 22 ALA N N 13 122.150 122.150 121.773 0.377 18221 2711 1 6 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.946 0.091 18221 2712 1 6 . 1 1 22 22 ALA C C 13 179.095 179.095 179.700 -0.605 18221 2713 1 6 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.157 -0.441 18221 2714 1 6 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.935 -0.374 18221 2715 1 6 . 1 1 22 22 ALA H H 13 7.881 7.881 8.626 -0.745 18221 2716 1 6 . 1 1 23 23 VAL N N 14 117.107 117.107 118.545 -1.438 18221 2717 1 6 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.529 -0.049 18221 2718 1 6 . 1 1 23 23 VAL C C 14 177.586 177.586 178.033 -0.447 18221 2719 1 6 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.164 0.034 18221 2720 1 6 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.243 -0.723 18221 2721 1 6 . 1 1 23 23 VAL H H 14 7.888 7.888 8.235 -0.347 18221 2722 1 6 . 1 1 24 24 ALA N N 15 121.333 121.333 121.892 -0.559 18221 2723 1 6 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.977 0.004 18221 2724 1 6 . 1 1 24 24 ALA C C 15 180.373 180.373 179.298 1.075 18221 2725 1 6 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.174 -0.163 18221 2726 1 6 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.818 -0.566 18221 2727 1 6 . 1 1 24 24 ALA H H 15 8.037 8.037 7.675 0.362 18221 2728 1 6 . 1 1 25 25 ALA N N 16 121.158 121.158 119.320 1.838 18221 2729 1 6 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.182 -0.036 18221 2730 1 6 . 1 1 25 25 ALA C C 16 179.828 179.828 178.793 1.035 18221 2731 1 6 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.611 -0.160 18221 2732 1 6 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.416 -0.929 18221 2733 1 6 . 1 1 25 25 ALA H H 16 7.819 7.819 7.880 -0.061 18221 2734 1 6 . 1 1 26 26 VAL N N 17 118.417 118.417 115.989 2.428 18221 2735 1 6 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.849 -0.071 18221 2736 1 6 . 1 1 26 26 VAL C C 17 178.020 178.020 176.732 1.288 18221 2737 1 6 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.887 1.691 18221 2738 1 6 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.066 -0.981 18221 2739 1 6 . 1 1 26 26 VAL H H 17 7.848 7.848 7.368 0.480 18221 2740 1 6 . 1 1 27 27 VAL N N 18 119.240 119.240 119.635 -0.395 18221 2741 1 6 . 1 1 27 27 VAL C C 18 177.719 177.719 176.895 0.824 18221 2742 1 6 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.674 2.317 18221 2743 1 6 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.892 -1.705 18221 2744 1 6 . 1 1 27 27 VAL H H 18 8.377 8.377 7.437 0.940 18221 2745 1 6 . 1 1 28 28 GLY N N 19 106.009 106.009 106.602 -0.593 18221 2746 1 6 . 1 1 28 28 GLY C C 19 176.212 176.212 174.485 1.727 18221 2747 1 6 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.831 -0.588 18221 2748 1 6 . 1 1 28 28 GLY H H 19 8.122 8.122 8.075 0.047 18221 2749 1 6 . 1 1 29 29 GLY N N 20 110.216 110.216 113.529 -3.313 18221 2750 1 6 . 1 1 29 29 GLY C C 20 174.097 174.097 175.069 -0.972 18221 2751 1 6 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.582 1.752 18221 2752 1 6 . 1 1 29 29 GLY H H 20 8.039 8.039 7.731 0.308 18221 2753 1 6 . 1 1 30 30 VAL N N 21 121.188 121.188 121.509 -0.321 18221 2754 1 6 . 1 1 30 30 VAL C C 21 177.073 177.073 177.194 -0.121 18221 2755 1 6 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.182 -3.608 18221 2756 1 6 . 1 1 30 30 VAL CB C 21 30.790 30.790 32.236 -1.446 18221 2757 1 6 . 1 1 30 30 VAL H H 21 7.983 7.983 7.824 0.160 18221 2758 1 6 . 1 1 32 32 ALA N N 23 125.091 125.091 121.509 3.582 18221 2759 1 6 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.006 0.254 18221 2760 1 6 . 1 1 32 32 ALA C C 23 179.523 179.523 179.878 -0.355 18221 2761 1 6 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.177 -1.494 18221 2762 1 6 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.031 -1.648 18221 2763 1 6 . 1 1 32 32 ALA H H 23 8.036 8.036 8.046 -0.011 18221 2764 1 6 . 1 1 33 33 VAL N N 24 118.793 118.793 117.516 1.277 18221 2765 1 6 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.732 -0.024 18221 2766 1 6 . 1 1 33 33 VAL C C 24 177.901 177.901 178.365 -0.464 18221 2767 1 6 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.518 -0.088 18221 2768 1 6 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.753 0.565 18221 2769 1 6 . 1 1 33 33 VAL H H 24 8.195 8.195 8.150 0.045 18221 2770 1 6 . 1 1 34 34 GLY N N 25 108.367 108.367 109.135 -0.768 18221 2771 1 6 . 1 1 34 34 GLY C C 25 175.424 175.424 175.981 -0.557 18221 2772 1 6 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.616 -0.282 18221 2773 1 6 . 1 1 34 34 GLY H H 25 8.651 8.651 8.471 0.180 18221 2774 1 6 . 1 1 35 35 THR N N 26 116.448 116.448 119.422 -2.974 18221 2775 1 6 . 1 1 35 35 THR C C 26 176.843 176.843 177.007 -0.164 18221 2776 1 6 . 1 1 35 35 THR CA C 26 65.962 65.962 66.928 -0.966 18221 2777 1 6 . 1 1 35 35 THR CB C 26 68.414 68.414 68.599 -0.185 18221 2778 1 6 . 1 1 35 35 THR H H 26 7.975 7.975 8.164 -0.189 18221 2779 1 6 . 1 1 36 36 VAL N N 27 122.810 122.810 121.743 1.067 18221 2780 1 6 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.589 0.130 18221 2781 1 6 . 1 1 36 36 VAL C C 27 177.618 177.618 177.532 0.086 18221 2782 1 6 . 1 1 36 36 VAL CA C 27 65.726 65.726 67.025 -1.299 18221 2783 1 6 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.583 -0.916 18221 2784 1 6 . 1 1 36 36 VAL H H 27 7.559 7.559 8.053 -0.494 18221 2785 1 6 . 1 1 37 37 LEU N N 28 119.566 119.566 120.489 -0.923 18221 2786 1 6 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.936 0.017 18221 2787 1 6 . 1 1 37 37 LEU C C 28 179.666 179.666 179.043 0.623 18221 2788 1 6 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.124 -0.279 18221 2789 1 6 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.829 -0.663 18221 2790 1 6 . 1 1 37 37 LEU H H 28 8.086 8.086 7.742 0.344 18221 2791 1 6 . 1 1 38 38 VAL N N 29 119.468 119.468 117.997 1.471 18221 2792 1 6 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.469 0.184 18221 2793 1 6 . 1 1 38 38 VAL C C 29 178.639 178.639 178.015 0.624 18221 2794 1 6 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.655 -1.182 18221 2795 1 6 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.957 -0.348 18221 2796 1 6 . 1 1 38 38 VAL H H 29 8.066 8.066 8.508 -0.442 18221 2797 1 6 . 1 1 39 39 ALA N N 30 124.255 124.255 122.062 2.193 18221 2798 1 6 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.013 0.152 18221 2799 1 6 . 1 1 39 39 ALA C C 30 180.303 180.303 179.588 0.715 18221 2800 1 6 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.837 -0.003 18221 2801 1 6 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.510 -0.802 18221 2802 1 6 . 1 1 39 39 ALA H H 30 7.688 7.688 7.739 -0.051 18221 2803 1 6 . 1 1 40 40 LEU N N 31 118.268 118.268 119.271 -1.003 18221 2804 1 6 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.902 0.239 18221 2805 1 6 . 1 1 40 40 LEU C C 31 179.271 179.271 180.079 -0.808 18221 2806 1 6 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.697 -0.619 18221 2807 1 6 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.635 -0.733 18221 2808 1 6 . 1 1 40 40 LEU H H 31 8.326 8.326 8.233 0.093 18221 2809 1 6 . 1 1 41 41 SER N N 32 114.984 114.984 114.940 0.044 18221 2810 1 6 . 1 1 41 41 SER HA H 32 3.952 3.952 4.180 -0.228 18221 2811 1 6 . 1 1 41 41 SER C C 32 176.284 176.284 175.969 0.315 18221 2812 1 6 . 1 1 41 41 SER CA C 32 60.885 60.885 61.066 -0.182 18221 2813 1 6 . 1 1 41 41 SER CB C 32 62.410 62.410 63.179 -0.769 18221 2814 1 6 . 1 1 41 41 SER H H 32 8.062 8.062 8.416 -0.354 18221 2815 1 6 . 1 1 42 42 ALA N N 33 124.588 124.588 123.641 0.947 18221 2816 1 6 . 1 1 42 42 ALA HA H 33 4.225 4.225 3.970 0.255 18221 2817 1 6 . 1 1 42 42 ALA C C 33 179.033 179.033 176.963 2.070 18221 2818 1 6 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.144 2.569 18221 2819 1 6 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.347 0.582 18221 2820 1 6 . 1 1 42 42 ALA H H 33 7.813 7.813 7.890 -0.077 18221 2821 1 6 . 1 1 43 43 MET N N 34 116.808 116.808 119.587 -2.779 18221 2822 1 6 . 1 1 43 43 MET HA H 34 4.285 4.285 4.362 -0.077 18221 2823 1 6 . 1 1 43 43 MET C C 34 176.807 176.807 177.277 -0.470 18221 2824 1 6 . 1 1 43 43 MET CA C 34 56.576 56.576 57.016 -0.440 18221 2825 1 6 . 1 1 43 43 MET CB C 34 32.435 32.435 33.369 -0.934 18221 2826 1 6 . 1 1 43 43 MET H H 34 7.691 7.691 8.038 -0.347 18221 2827 1 6 . 1 1 44 44 GLY N N 35 107.020 107.020 106.891 0.129 18221 2828 1 6 . 1 1 44 44 GLY C C 35 174.493 174.493 173.475 1.018 18221 2829 1 6 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.081 -0.016 18221 2830 1 6 . 1 1 44 44 GLY H H 35 7.793 7.793 8.389 -0.596 18221 2831 1 6 . 1 1 45 45 PHE N N 36 120.285 120.285 117.216 3.069 18221 2832 1 6 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.713 -0.206 18221 2833 1 6 . 1 1 45 45 PHE C C 36 176.876 176.876 174.841 2.035 18221 2834 1 6 . 1 1 45 45 PHE CA C 36 58.937 58.937 55.400 3.537 18221 2835 1 6 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.197 -0.019 18221 2836 1 6 . 1 1 45 45 PHE H H 36 8.215 8.215 7.587 0.628 18221 2837 1 6 . 1 1 46 46 THR N N 37 114.008 114.008 115.361 -1.353 18221 2838 1 6 . 1 1 46 46 THR HA H 37 4.080 4.080 3.844 0.236 18221 2839 1 6 . 1 1 46 46 THR C C 37 175.751 175.751 174.099 1.652 18221 2840 1 6 . 1 1 46 46 THR CA C 37 64.220 64.220 63.027 1.193 18221 2841 1 6 . 1 1 46 46 THR CB C 37 68.514 68.514 69.219 -0.705 18221 2842 1 6 . 1 1 46 46 THR H H 37 8.111 8.111 8.093 0.018 18221 2843 1 6 . 1 1 47 47 SER N N 38 116.646 116.646 112.507 4.139 18221 2844 1 6 . 1 1 47 47 SER HA H 38 3.918 3.918 4.273 -0.355 18221 2845 1 6 . 1 1 47 47 SER C C 38 176.744 176.744 175.278 1.466 18221 2846 1 6 . 1 1 47 47 SER CA C 38 59.911 59.911 59.696 0.215 18221 2847 1 6 . 1 1 47 47 SER CB C 38 62.624 62.624 63.467 -0.843 18221 2848 1 6 . 1 1 47 47 SER H H 38 8.079 8.079 8.334 -0.255 18221 2849 1 6 . 1 1 48 48 VAL N N 39 121.929 121.929 121.606 0.323 18221 2850 1 6 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.768 0.141 18221 2851 1 6 . 1 1 48 48 VAL C C 39 177.033 177.033 177.560 -0.527 18221 2852 1 6 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.102 -1.114 18221 2853 1 6 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.701 -0.034 18221 2854 1 6 . 1 1 48 48 VAL H H 39 7.985 7.985 7.777 0.208 18221 2855 1 6 . 1 1 49 49 GLY N N 40 108.633 108.633 108.274 0.359 18221 2856 1 6 . 1 1 49 49 GLY C C 40 176.038 176.038 176.174 -0.136 18221 2857 1 6 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.475 -0.610 18221 2858 1 6 . 1 1 49 49 GLY H H 40 8.267 8.267 8.496 -0.229 18221 2859 1 6 . 1 1 50 50 ILE N N 41 122.466 122.466 121.999 0.467 18221 2860 1 6 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.641 0.230 18221 2861 1 6 . 1 1 50 50 ILE C C 41 178.363 178.363 177.134 1.229 18221 2862 1 6 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.306 -0.791 18221 2863 1 6 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.916 -0.678 18221 2864 1 6 . 1 1 50 50 ILE H H 41 7.865 7.865 7.692 0.173 18221 2865 1 6 . 1 1 51 51 ALA N N 42 125.064 125.064 121.830 3.234 18221 2866 1 6 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.868 0.231 18221 2867 1 6 . 1 1 51 51 ALA C C 42 179.385 179.385 178.990 0.395 18221 2868 1 6 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.181 -0.702 18221 2869 1 6 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.106 -0.619 18221 2870 1 6 . 1 1 51 51 ALA H H 42 7.930 7.930 8.178 -0.248 18221 2871 1 6 . 1 1 52 52 ALA N N 43 120.594 120.594 120.105 0.489 18221 2872 1 6 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.020 -0.083 18221 2873 1 6 . 1 1 52 52 ALA C C 43 179.088 179.088 179.982 -0.894 18221 2874 1 6 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.846 0.253 18221 2875 1 6 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.046 -0.411 18221 2876 1 6 . 1 1 52 52 ALA H H 43 8.639 8.639 8.415 0.224 18221 2877 1 6 . 1 1 53 53 SER N N 44 113.012 113.012 114.960 -1.948 18221 2878 1 6 . 1 1 53 53 SER HA H 44 3.966 3.966 4.193 -0.227 18221 2879 1 6 . 1 1 53 53 SER C C 44 176.898 176.898 176.908 -0.010 18221 2880 1 6 . 1 1 53 53 SER CA C 44 61.139 61.139 61.974 -0.835 18221 2881 1 6 . 1 1 53 53 SER CB C 44 62.347 62.347 63.209 -0.862 18221 2882 1 6 . 1 1 53 53 SER H H 44 8.193 8.193 8.242 -0.049 18221 2883 1 6 . 1 1 54 54 SER N N 45 118.714 118.714 118.367 0.347 18221 2884 1 6 . 1 1 54 54 SER HA H 45 3.975 3.975 4.116 -0.141 18221 2885 1 6 . 1 1 54 54 SER C C 45 177.131 177.131 176.661 0.470 18221 2886 1 6 . 1 1 54 54 SER CA C 45 61.210 61.210 62.207 -0.997 18221 2887 1 6 . 1 1 54 54 SER CB C 45 62.255 62.255 62.906 -0.651 18221 2888 1 6 . 1 1 54 54 SER H H 45 7.944 7.944 8.074 -0.130 18221 2889 1 6 . 1 1 55 55 ILE N N 46 122.912 122.912 120.513 2.399 18221 2890 1 6 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.616 0.141 18221 2891 1 6 . 1 1 55 55 ILE C C 46 177.813 177.813 176.681 1.132 18221 2892 1 6 . 1 1 55 55 ILE CA C 46 64.191 64.191 65.349 -1.158 18221 2893 1 6 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.841 -0.915 18221 2894 1 6 . 1 1 55 55 ILE H H 46 8.028 8.028 8.157 -0.129 18221 2895 1 6 . 1 1 56 56 ALA N N 47 122.990 122.990 120.620 2.370 18221 2896 1 6 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.987 -0.031 18221 2897 1 6 . 1 1 56 56 ALA C C 47 180.294 180.294 178.843 1.451 18221 2898 1 6 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.544 -0.206 18221 2899 1 6 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.761 -1.059 18221 2900 1 6 . 1 1 56 56 ALA H H 47 8.333 8.333 7.610 0.723 18221 2901 1 6 . 1 1 57 57 ALA N N 48 121.988 121.988 121.953 0.035 18221 2902 1 6 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.051 0.017 18221 2903 1 6 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.762 1.659 18221 2904 1 6 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.334 -1.632 18221 2905 1 6 . 1 1 57 57 ALA H H 48 7.879 7.879 8.020 -0.141 18221 2906 1 6 . 1 1 58 58 LYS N N 49 119.094 119.094 119.013 0.081 18221 2907 1 6 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.112 0.034 18221 2908 1 6 . 1 1 58 58 LYS C C 49 179.649 179.649 175.801 3.848 18221 2909 1 6 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.134 0.023 18221 2910 1 6 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.914 -1.584 18221 2911 1 6 . 1 1 58 58 LYS H H 49 7.727 7.727 8.169 -0.442 18221 2912 1 6 . 1 1 59 59 MET N N 50 120.498 120.498 124.701 -4.203 18221 2913 1 6 . 1 1 59 59 MET HA H 50 4.156 4.156 4.617 -0.461 18221 2914 1 6 . 1 1 59 59 MET C C 50 177.949 177.949 175.702 2.247 18221 2915 1 6 . 1 1 59 59 MET CA C 50 57.136 57.136 55.036 2.100 18221 2916 1 6 . 1 1 59 59 MET CB C 50 31.922 31.922 34.107 -2.185 18221 2917 1 6 . 1 1 59 59 MET H H 50 8.395 8.395 8.788 -0.393 18221 2918 1 6 . 1 1 60 60 MET N N 51 117.689 117.689 124.520 -6.831 18221 2919 1 6 . 1 1 60 60 MET HA H 51 4.222 4.222 4.153 0.069 18221 2920 1 6 . 1 1 60 60 MET C C 51 177.674 177.674 174.831 2.843 18221 2921 1 6 . 1 1 60 60 MET CA C 51 57.638 57.638 56.401 1.236 18221 2922 1 6 . 1 1 60 60 MET CB C 51 31.785 31.785 32.063 -0.278 18221 2923 1 6 . 1 1 60 60 MET H H 51 8.234 8.234 8.422 -0.188 18221 2924 1 6 . 1 1 61 61 SER N N 52 114.385 114.385 117.707 -3.322 18221 2925 1 6 . 1 1 61 61 SER HA H 52 4.001 4.001 4.966 -0.965 18221 2926 1 6 . 1 1 61 61 SER C C 52 176.079 176.079 173.021 3.058 18221 2927 1 6 . 1 1 61 61 SER CA C 52 59.911 59.911 57.507 2.404 18221 2928 1 6 . 1 1 61 61 SER CB C 52 62.624 62.624 65.841 -3.217 18221 2929 1 6 . 1 1 61 61 SER H H 52 7.893 7.893 8.359 -0.466 18221 2930 1 6 . 1 1 62 62 THR N N 53 117.304 117.304 112.463 4.841 18221 2931 1 6 . 1 1 62 62 THR HA H 53 4.104 4.104 4.629 -0.525 18221 2932 1 6 . 1 1 62 62 THR C C 53 175.436 175.436 173.325 2.111 18221 2933 1 6 . 1 1 62 62 THR CA C 53 64.220 64.220 62.786 1.434 18221 2934 1 6 . 1 1 62 62 THR CB C 53 68.514 68.514 69.082 -0.568 18221 2935 1 6 . 1 1 62 62 THR H H 53 7.794 7.794 8.368 -0.574 18221 2936 1 6 . 1 1 63 63 ALA N N 54 125.382 125.382 125.178 0.204 18221 2937 1 6 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.368 -0.274 18221 2938 1 6 . 1 1 63 63 ALA C C 54 178.328 178.328 175.664 2.664 18221 2939 1 6 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.471 1.625 18221 2940 1 6 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.148 -1.440 18221 2941 1 6 . 1 1 63 63 ALA H H 54 8.204 8.204 8.255 -0.051 18221 2942 1 6 . 1 1 64 64 ALA N N 55 119.929 119.929 123.470 -3.541 18221 2943 1 6 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.530 -0.405 18221 2944 1 6 . 1 1 64 64 ALA C C 55 179.183 179.183 175.554 3.629 18221 2945 1 6 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.733 1.304 18221 2946 1 6 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.198 -2.490 18221 2947 1 6 . 1 1 64 64 ALA H H 55 7.951 7.951 7.719 0.232 18221 2948 1 6 . 1 1 65 65 ILE N N 56 117.016 117.016 120.372 -3.356 18221 2949 1 6 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.297 -0.347 18221 2950 1 6 . 1 1 65 65 ILE C C 56 177.222 177.222 175.537 1.685 18221 2951 1 6 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.077 0.107 18221 2952 1 6 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.625 -2.552 18221 2953 1 6 . 1 1 65 65 ILE H H 56 7.561 7.561 8.662 -1.101 18221 2954 1 6 . 1 1 66 66 ALA N N 57 124.191 124.191 122.639 1.552 18221 2955 1 6 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.308 -0.131 18221 2956 1 6 . 1 1 66 66 ALA C C 57 178.190 178.190 175.894 2.296 18221 2957 1 6 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.108 1.428 18221 2958 1 6 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.140 -1.210 18221 2959 1 6 . 1 1 66 66 ALA H H 57 7.982 7.982 7.904 0.078 18221 2960 1 6 . 1 1 67 67 ASN N N 58 116.132 116.132 118.008 -1.876 18221 2961 1 6 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.449 0.224 18221 2962 1 6 . 1 1 67 67 ASN C C 58 176.344 176.344 175.343 1.001 18221 2963 1 6 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.567 -0.090 18221 2964 1 6 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.469 0.003 18221 2965 1 6 . 1 1 67 67 ASN H H 58 8.113 8.113 8.551 -0.438 18221 2966 1 6 . 1 1 68 68 GLY N N 59 108.808 108.808 109.815 -1.007 18221 2967 1 6 . 1 1 68 68 GLY C C 59 174.958 174.958 173.432 1.526 18221 2968 1 6 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.702 0.953 18221 2969 1 6 . 1 1 68 68 GLY H H 59 8.152 8.152 8.246 -0.094 18221 2970 1 6 . 1 1 69 69 GLY N N 60 108.832 108.832 110.707 -1.875 18221 2971 1 6 . 1 1 69 69 GLY C C 60 174.631 174.631 174.956 -0.325 18221 2972 1 6 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.406 1.014 18221 2973 1 6 . 1 1 69 69 GLY H H 60 8.218 8.218 8.243 -0.025 18221 2974 1 6 . 1 1 70 70 GLY N N 61 108.966 108.966 110.588 -1.622 18221 2975 1 6 . 1 1 70 70 GLY C C 61 174.594 174.594 174.366 0.228 18221 2976 1 6 . 1 1 70 70 GLY CA C 61 45.360 45.360 46.611 -1.250 18221 2977 1 6 . 1 1 70 70 GLY H H 61 8.175 8.175 8.387 -0.212 18221 2978 1 6 . 1 1 71 71 VAL N N 62 120.209 120.209 119.490 0.719 18221 2979 1 6 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.061 -0.055 18221 2980 1 6 . 1 1 71 71 VAL C C 62 176.077 176.077 176.873 -0.796 18221 2981 1 6 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.600 -1.210 18221 2982 1 6 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.412 -0.714 18221 2983 1 6 . 1 1 71 71 VAL H H 62 7.882 7.882 8.059 -0.177 18221 2984 1 6 . 1 1 72 72 ALA N N 63 126.966 126.966 122.880 4.086 18221 2985 1 6 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.303 -0.277 18221 2986 1 6 . 1 1 72 72 ALA C C 63 178.064 178.064 177.221 0.843 18221 2987 1 6 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.866 -1.363 18221 2988 1 6 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.185 -0.960 18221 2989 1 6 . 1 1 72 72 ALA H H 63 8.237 8.237 8.017 0.220 18221 2990 1 6 . 1 1 73 73 ALA N N 64 123.432 123.432 118.091 5.341 18221 2991 1 6 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.309 -0.294 18221 2992 1 6 . 1 1 73 73 ALA C C 64 178.995 178.995 176.743 2.252 18221 2993 1 6 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.536 1.885 18221 2994 1 6 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.017 -1.014 18221 2995 1 6 . 1 1 73 73 ALA H H 64 8.421 8.421 7.921 0.500 18221 2996 1 6 . 1 1 74 74 GLY N N 65 105.577 105.577 106.261 -0.684 18221 2997 1 6 . 1 1 74 74 GLY C C 65 176.367 176.367 175.320 1.047 18221 2998 1 6 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.492 0.752 18221 2999 1 6 . 1 1 74 74 GLY H H 65 8.448 8.448 7.866 0.582 18221 3000 1 6 . 1 1 75 75 SER N N 66 117.656 117.656 117.079 0.577 18221 3001 1 6 . 1 1 75 75 SER HA H 66 4.394 4.394 4.273 0.121 18221 3002 1 6 . 1 1 75 75 SER C C 66 176.329 176.329 176.886 -0.557 18221 3003 1 6 . 1 1 75 75 SER CA C 66 60.236 60.236 60.370 -0.134 18221 3004 1 6 . 1 1 75 75 SER CB C 66 62.476 62.476 63.170 -0.694 18221 3005 1 6 . 1 1 75 75 SER H H 66 7.899 7.899 8.236 -0.337 18221 3006 1 6 . 1 1 76 76 LEU N N 67 122.743 122.743 121.366 1.377 18221 3007 1 6 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.997 0.053 18221 3008 1 6 . 1 1 76 76 LEU C C 67 178.442 178.442 178.110 0.332 18221 3009 1 6 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.721 -0.201 18221 3010 1 6 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.913 -1.232 18221 3011 1 6 . 1 1 76 76 LEU H H 67 7.955 7.955 8.200 -0.245 18221 3012 1 6 . 1 1 77 77 VAL N N 68 118.400 118.400 118.893 -0.493 18221 3013 1 6 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.525 -0.054 18221 3014 1 6 . 1 1 77 77 VAL C C 68 177.297 177.297 177.512 -0.215 18221 3015 1 6 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.741 -0.071 18221 3016 1 6 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.888 -0.368 18221 3017 1 6 . 1 1 77 77 VAL H H 68 8.039 8.039 8.036 0.003 18221 3018 1 6 . 1 1 78 78 ALA N N 69 121.927 121.927 121.829 0.098 18221 3019 1 6 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.319 -0.114 18221 3020 1 6 . 1 1 78 78 ALA C C 69 181.258 181.258 180.003 1.255 18221 3021 1 6 . 1 1 78 78 ALA CA C 69 54.982 54.982 54.935 0.047 18221 3022 1 6 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.201 -0.787 18221 3023 1 6 . 1 1 78 78 ALA H H 69 7.631 7.631 7.959 -0.328 18221 3024 1 6 . 1 1 79 79 ILE N N 70 119.782 119.782 119.047 0.735 18221 3025 1 6 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.731 0.065 18221 3026 1 6 . 1 1 79 79 ILE C C 70 178.253 178.253 177.900 0.353 18221 3027 1 6 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.692 -0.340 18221 3028 1 6 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.037 -0.964 18221 3029 1 6 . 1 1 79 79 ILE H H 70 7.841 7.841 7.422 0.419 18221 3030 1 6 . 1 1 80 80 LEU N N 71 120.841 120.841 121.182 -0.341 18221 3031 1 6 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.817 0.120 18221 3032 1 6 . 1 1 80 80 LEU C C 71 179.234 179.234 178.534 0.700 18221 3033 1 6 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.833 -0.988 18221 3034 1 6 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.831 -1.812 18221 3035 1 6 . 1 1 80 80 LEU H H 71 8.190 8.190 8.140 0.050 18221 3036 1 6 . 1 1 81 81 GLN N N 72 117.558 117.558 117.948 -0.390 18221 3037 1 6 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.884 0.085 18221 3038 1 6 . 1 1 81 81 GLN C C 72 178.530 178.530 178.613 -0.083 18221 3039 1 6 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.451 -0.632 18221 3040 1 6 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.579 -1.299 18221 3041 1 6 . 1 1 81 81 GLN H H 72 8.489 8.489 8.314 0.175 18221 3042 1 6 . 1 1 82 82 SER N N 73 116.103 116.103 115.167 0.936 18221 3043 1 6 . 1 1 82 82 SER HA H 73 4.233 4.233 4.133 0.100 18221 3044 1 6 . 1 1 82 82 SER C C 73 177.243 177.243 176.578 0.665 18221 3045 1 6 . 1 1 82 82 SER CA C 73 61.044 61.044 61.410 -0.366 18221 3046 1 6 . 1 1 82 82 SER CB C 73 62.257 62.257 63.235 -0.978 18221 3047 1 6 . 1 1 82 82 SER H H 73 7.855 7.855 8.081 -0.226 18221 3048 1 6 . 1 1 83 83 VAL N N 74 120.362 120.362 121.592 -1.230 18221 3049 1 6 . 1 1 83 83 VAL C C 74 177.979 177.979 177.364 0.615 18221 3050 1 6 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.091 0.015 18221 3051 1 6 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.383 -0.642 18221 3052 1 6 . 1 1 83 83 VAL H H 74 8.030 8.030 7.986 0.044 18221 3053 1 6 . 1 1 84 84 GLY N N 75 108.223 108.223 106.628 1.595 18221 3054 1 6 . 1 1 84 84 GLY C C 75 174.913 174.913 175.510 -0.597 18221 3055 1 6 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.029 -0.252 18221 3056 1 6 . 1 1 84 84 GLY H H 75 8.369 8.369 7.819 0.550 18221 3057 1 6 . 1 1 85 85 ALA N N 76 123.550 123.550 124.763 -1.213 18221 3058 1 6 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.847 0.247 18221 3059 1 6 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.127 -0.529 18221 3060 1 6 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.450 -0.827 18221 3061 1 6 . 1 1 85 85 ALA H H 76 8.115 8.115 8.135 -0.020 18221 3062 1 6 . 1 1 86 86 ALA N N 77 120.410 120.410 120.951 -0.541 18221 3063 1 6 . 1 1 86 86 ALA C C 77 178.988 178.988 179.554 -0.566 18221 3064 1 6 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.312 -0.476 18221 3065 1 6 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.985 -0.475 18221 3066 1 6 . 1 1 86 86 ALA H H 77 8.632 8.632 8.335 0.297 18221 3067 1 6 . 1 1 87 87 GLY N N 78 105.706 105.706 107.353 -1.647 18221 3068 1 6 . 1 1 87 87 GLY C C 78 175.939 175.939 176.274 -0.335 18221 3069 1 6 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.121 -1.003 18221 3070 1 6 . 1 1 87 87 GLY H H 78 8.196 8.196 7.905 0.291 18221 3071 1 6 . 1 1 88 88 LEU N N 79 124.128 124.128 121.782 2.346 18221 3072 1 6 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.330 0.072 18221 3073 1 6 . 1 1 88 88 LEU CB C 79 40.387 40.387 40.678 -0.291 18221 3074 1 6 . 1 1 88 88 LEU H H 79 8.449 8.449 8.076 0.373 18221 3075 1 6 . 1 1 89 89 SER N N 80 116.251 116.251 115.361 0.890 18221 3076 1 6 . 1 1 89 89 SER C C 80 179.153 179.153 176.742 2.411 18221 3077 1 6 . 1 1 89 89 SER CA C 80 61.023 61.023 62.057 -1.034 18221 3078 1 6 . 1 1 89 89 SER CB C 80 62.255 62.255 63.132 -0.877 18221 3079 1 6 . 1 1 89 89 SER H H 80 8.120 8.120 8.311 -0.191 18221 3080 1 6 . 1 1 90 90 VAL N N 81 119.310 119.310 121.419 -2.109 18221 3081 1 6 . 1 1 90 90 VAL C C 81 177.652 177.652 178.536 -0.884 18221 3082 1 6 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.303 -1.227 18221 3083 1 6 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.935 0.395 18221 3084 1 6 . 1 1 90 90 VAL H H 81 7.955 7.955 8.318 -0.363 18221 3085 1 6 . 1 1 91 91 THR N N 82 115.535 115.535 116.793 -1.258 18221 3086 1 6 . 1 1 91 91 THR C C 82 176.571 176.571 176.773 -0.202 18221 3087 1 6 . 1 1 91 91 THR CA C 82 66.434 66.434 67.178 -0.744 18221 3088 1 6 . 1 1 91 91 THR CB C 82 67.742 67.742 68.560 -0.818 18221 3089 1 6 . 1 1 91 91 THR H H 82 7.888 7.888 8.491 -0.603 18221 3090 1 6 . 1 1 92 92 SER N N 83 116.537 116.537 118.156 -1.619 18221 3091 1 6 . 1 1 92 92 SER HA H 83 4.040 4.040 4.042 -0.002 18221 3092 1 6 . 1 1 92 92 SER C C 83 176.761 176.761 176.663 0.098 18221 3093 1 6 . 1 1 92 92 SER CA C 83 61.564 61.564 62.005 -0.442 18221 3094 1 6 . 1 1 92 92 SER CB C 83 62.009 62.009 63.106 -1.097 18221 3095 1 6 . 1 1 92 92 SER H H 83 8.212 8.212 8.098 0.114 18221 3096 1 6 . 1 1 93 93 LYS N N 84 122.353 122.353 120.850 1.503 18221 3097 1 6 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.003 0.116 18221 3098 1 6 . 1 1 93 93 LYS C C 84 172.812 172.812 179.100 -6.288 18221 3099 1 6 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.439 -1.004 18221 3100 1 6 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.518 -1.041 18221 3101 1 6 . 1 1 93 93 LYS H H 84 7.642 7.642 8.387 -0.745 18221 3102 1 6 . 1 1 94 94 VAL N N 85 119.348 119.348 118.329 1.019 18221 3103 1 6 . 1 1 94 94 VAL C C 85 177.948 177.948 177.442 0.506 18221 3104 1 6 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.028 0.361 18221 3105 1 6 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.520 0.326 18221 3106 1 6 . 1 1 94 94 VAL H H 85 8.414 8.414 7.750 0.664 18221 3107 1 6 . 1 1 95 95 ILE N N 86 118.769 118.769 116.671 2.098 18221 3108 1 6 . 1 1 95 95 ILE C C 86 177.972 177.972 176.806 1.166 18221 3109 1 6 . 1 1 95 95 ILE CA C 86 63.837 63.837 64.379 -0.542 18221 3110 1 6 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.597 -1.965 18221 3111 1 6 . 1 1 95 95 ILE H H 86 8.169 8.169 7.758 0.411 18221 3112 1 6 . 1 1 96 96 GLY N N 87 107.955 107.955 103.200 4.755 18221 3113 1 6 . 1 1 96 96 GLY C C 87 176.571 176.571 174.179 2.392 18221 3114 1 6 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.536 0.975 18221 3115 1 6 . 1 1 96 96 GLY H H 87 8.182 8.182 8.448 -0.266 18221 3116 1 6 . 1 1 97 97 GLY N N 88 109.117 109.117 107.764 1.353 18221 3117 1 6 . 1 1 97 97 GLY C C 88 175.524 175.524 174.546 0.978 18221 3118 1 6 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.345 0.487 18221 3119 1 6 . 1 1 97 97 GLY H H 88 7.953 7.953 8.419 -0.466 18221 3120 1 6 . 1 1 98 98 PHE N N 89 121.100 121.100 119.228 1.872 18221 3121 1 6 . 1 1 98 98 PHE C C 89 176.367 176.367 175.190 1.177 18221 3122 1 6 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.788 -0.888 18221 3123 1 6 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.828 -0.996 18221 3124 1 6 . 1 1 98 98 PHE H H 89 8.000 8.000 7.934 0.066 18221 3125 1 6 . 1 1 99 99 ALA N N 90 122.834 122.834 122.470 0.364 18221 3126 1 6 . 1 1 99 99 ALA C C 90 178.348 178.348 177.123 1.225 18221 3127 1 6 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.339 2.938 18221 3128 1 6 . 1 1 99 99 ALA CB C 90 17.414 17.414 17.360 0.054 18221 3129 1 6 . 1 1 99 99 ALA H H 90 8.322 8.322 8.235 0.087 18221 3130 1 6 . 1 1 100 100 GLY N N 91 106.688 106.688 108.290 -1.602 18221 3131 1 6 . 1 1 100 100 GLY C C 91 175.878 175.878 175.627 0.251 18221 3132 1 6 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.441 -0.815 18221 3133 1 6 . 1 1 100 100 GLY H H 91 8.000 8.000 8.955 -0.955 18221 3134 1 6 . 1 1 101 101 THR N N 92 115.689 115.689 116.303 -0.614 18221 3135 1 6 . 1 1 101 101 THR C C 92 178.476 178.476 173.909 4.567 18221 3136 1 6 . 1 1 101 101 THR CA C 92 63.364 63.364 61.423 1.941 18221 3137 1 6 . 1 1 101 101 THR CB C 92 69.619 69.619 69.569 0.050 18221 3138 1 6 . 1 1 101 101 THR H H 92 7.754 7.754 7.926 -0.172 18221 3139 1 6 . 1 1 102 102 ALA N N 93 124.835 124.835 123.170 1.665 18221 3140 1 6 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.062 2.249 18221 3141 1 6 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.751 -2.072 18221 3142 1 6 . 1 1 102 102 ALA H H 93 7.919 7.919 8.120 -0.201 18221 3143 1 6 . 1 1 103 103 LEU N N 94 117.445 117.445 121.918 -4.473 18221 3144 1 6 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.880 1.902 18221 3145 1 6 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.511 -1.609 18221 3146 1 6 . 1 1 103 103 LEU H H 94 8.037 8.037 8.304 -0.267 18221 3147 1 6 . 1 1 104 104 GLY N N 95 106.296 106.296 111.962 -5.666 18221 3148 1 6 . 1 1 104 104 GLY C C 95 175.851 175.851 172.932 2.919 18221 3149 1 6 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.949 1.621 18221 3150 1 6 . 1 1 104 104 GLY H H 95 7.900 7.900 8.262 -0.362 18221 3151 1 6 . 1 1 105 105 ALA N N 96 123.872 123.872 125.650 -1.778 18221 3152 1 6 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.364 1.762 18221 3153 1 6 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.130 -1.543 18221 3154 1 6 . 1 1 105 105 ALA H H 96 7.804 7.804 8.457 -0.652 18221 3155 1 6 . 1 1 106 106 TRP N N 97 120.348 120.348 121.089 -0.741 18221 3156 1 6 . 1 1 106 106 TRP C C 97 176.857 176.857 175.287 1.570 18221 3157 1 6 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.390 -0.490 18221 3158 1 6 . 1 1 106 106 TRP H H 97 8.385 8.385 8.269 0.116 18221 3159 1 6 . 1 1 107 107 LEU N N 98 117.756 117.756 119.909 -2.153 18221 3160 1 6 . 1 1 107 107 LEU C C 98 177.659 177.659 176.373 1.286 18221 3161 1 6 . 1 1 107 107 LEU CA C 98 55.103 55.103 56.062 -0.959 18221 3162 1 6 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.483 -1.065 18221 3163 1 6 . 1 1 107 107 LEU H H 98 7.880 7.880 7.912 -0.032 18221 3164 1 6 . 1 1 108 108 GLY N N 99 107.285 107.285 109.971 -2.686 18221 3165 1 6 . 1 1 108 108 GLY C C 99 173.815 173.815 173.307 0.508 18221 3166 1 6 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.055 -0.108 18221 3167 1 6 . 1 1 108 108 GLY H H 99 7.694 7.694 8.746 -1.052 18221 3168 1 6 . 1 1 109 109 SER N N 100 117.139 117.139 116.130 1.009 18221 3169 1 6 . 1 1 109 109 SER C C 100 172.179 172.179 172.763 -0.584 18221 3170 1 6 . 1 1 109 109 SER CA C 100 56.015 56.015 55.887 0.128 18221 3171 1 6 . 1 1 109 109 SER CB C 100 62.771 62.771 64.219 -1.448 18221 3172 1 6 . 1 1 109 109 SER H H 100 8.030 8.030 8.196 -0.166 18221 3173 1 6 . 1 1 111 111 PRO C C 102 177.073 177.073 176.422 0.651 18221 3174 1 6 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.776 -0.577 18221 3175 1 6 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.781 -1.570 18221 3176 1 6 . 1 1 112 112 SER N N 103 117.115 117.115 117.096 0.019 18221 3177 1 6 . 1 1 112 112 SER C C 103 173.898 173.898 174.446 -0.548 18221 3178 1 6 . 1 1 112 112 SER CA C 103 57.904 57.904 58.365 -0.461 18221 3179 1 6 . 1 1 112 112 SER CB C 103 63.360 63.360 63.552 -0.192 18221 3180 1 6 . 1 1 112 112 SER H H 103 8.345 8.345 8.532 -0.187 18221 3181 1 7 . 1 1 11 11 GLY N N 2 109.366 109.366 108.877 0.489 18221 3182 1 7 . 1 1 11 11 GLY C C 2 174.543 174.543 174.981 -0.438 18221 3183 1 7 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.094 0.601 18221 3184 1 7 . 1 1 11 11 GLY H H 2 8.271 8.271 8.295 -0.024 18221 3185 1 7 . 1 1 12 12 LYS N N 3 121.129 121.129 122.936 -1.807 18221 3186 1 7 . 1 1 12 12 LYS HA H 3 4.132 4.132 3.963 0.169 18221 3187 1 7 . 1 1 12 12 LYS C C 3 177.234 177.234 177.157 0.077 18221 3188 1 7 . 1 1 12 12 LYS CA C 3 56.812 56.812 58.511 -1.700 18221 3189 1 7 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.919 -1.073 18221 3190 1 7 . 1 1 12 12 LYS H H 3 8.057 8.057 8.314 -0.257 18221 3191 1 7 . 1 1 13 13 GLU N N 4 120.318 120.318 115.101 5.217 18221 3192 1 7 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.354 -0.199 18221 3193 1 7 . 1 1 13 13 GLU C C 4 176.857 176.857 175.885 0.972 18221 3194 1 7 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.494 0.377 18221 3195 1 7 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.818 -2.430 18221 3196 1 7 . 1 1 13 13 GLU H H 4 8.398 8.398 8.009 0.389 18221 3197 1 7 . 1 1 14 14 SER N N 5 115.504 115.504 116.762 -1.258 18221 3198 1 7 . 1 1 14 14 SER HA H 5 3.843 3.843 4.729 -0.886 18221 3199 1 7 . 1 1 14 14 SER C C 5 175.337 175.337 173.125 2.212 18221 3200 1 7 . 1 1 14 14 SER CA C 5 58.524 58.524 58.585 -0.061 18221 3201 1 7 . 1 1 14 14 SER CB C 5 63.360 63.360 63.843 -0.483 18221 3202 1 7 . 1 1 14 14 SER H H 5 8.089 8.089 8.081 0.008 18221 3203 1 7 . 1 1 15 15 GLY N N 6 110.761 110.761 111.092 -0.331 18221 3204 1 7 . 1 1 15 15 GLY C C 6 174.581 174.581 172.836 1.745 18221 3205 1 7 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.682 -0.116 18221 3206 1 7 . 1 1 15 15 GLY H H 6 8.197 8.197 8.204 -0.007 18221 3207 1 7 . 1 1 16 16 TRP N N 7 121.800 121.800 121.568 0.232 18221 3208 1 7 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.851 -0.291 18221 3209 1 7 . 1 1 16 16 TRP C C 7 176.920 176.920 175.702 1.218 18221 3210 1 7 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.067 1.014 18221 3211 1 7 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.841 -2.162 18221 3212 1 7 . 1 1 16 16 TRP H H 7 8.184 8.184 8.549 -0.365 18221 3213 1 7 . 1 1 17 17 ASP N N 8 121.132 121.132 120.990 0.142 18221 3214 1 7 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.506 -0.111 18221 3215 1 7 . 1 1 17 17 ASP C C 8 176.941 176.941 175.049 1.892 18221 3216 1 7 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.356 0.888 18221 3217 1 7 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.242 -0.297 18221 3218 1 7 . 1 1 17 17 ASP H H 8 8.332 8.332 8.250 0.082 18221 3219 1 7 . 1 1 18 18 SER N N 9 116.148 116.148 115.413 0.735 18221 3220 1 7 . 1 1 18 18 SER HA H 9 3.861 3.861 4.605 -0.744 18221 3221 1 7 . 1 1 18 18 SER CA C 9 60.081 60.081 58.040 2.041 18221 3222 1 7 . 1 1 18 18 SER CB C 9 62.255 62.255 64.457 -2.202 18221 3223 1 7 . 1 1 18 18 SER H H 9 8.129 8.129 8.616 -0.487 18221 3224 1 7 . 1 1 19 19 GLY N N 10 110.747 110.747 113.192 -2.445 18221 3225 1 7 . 1 1 19 19 GLY C C 10 174.682 174.682 175.986 -1.304 18221 3226 1 7 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.512 1.088 18221 3227 1 7 . 1 1 19 19 GLY H H 10 8.216 8.216 8.396 -0.180 18221 3228 1 7 . 1 1 20 20 ARG N N 11 121.405 121.405 120.582 0.823 18221 3229 1 7 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.288 -0.431 18221 3230 1 7 . 1 1 20 20 ARG C C 11 178.328 178.328 178.971 -0.643 18221 3231 1 7 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.829 1.256 18221 3232 1 7 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.390 -1.343 18221 3233 1 7 . 1 1 20 20 ARG H H 11 8.158 8.158 8.458 -0.300 18221 3234 1 7 . 1 1 21 21 ALA N N 12 122.167 122.167 122.668 -0.501 18221 3235 1 7 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.083 0.017 18221 3236 1 7 . 1 1 21 21 ALA C C 12 180.129 180.129 179.436 0.693 18221 3237 1 7 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.712 -0.320 18221 3238 1 7 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.081 -0.667 18221 3239 1 7 . 1 1 21 21 ALA H H 12 7.963 7.963 8.371 -0.408 18221 3240 1 7 . 1 1 22 22 ALA N N 13 122.150 122.150 121.673 0.477 18221 3241 1 7 . 1 1 22 22 ALA HA H 13 4.037 4.037 4.010 0.027 18221 3242 1 7 . 1 1 22 22 ALA C C 13 179.095 179.095 179.887 -0.792 18221 3243 1 7 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.973 -0.257 18221 3244 1 7 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.136 -0.575 18221 3245 1 7 . 1 1 22 22 ALA H H 13 7.881 7.881 8.338 -0.457 18221 3246 1 7 . 1 1 23 23 VAL N N 14 117.107 117.107 118.608 -1.501 18221 3247 1 7 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.613 -0.133 18221 3248 1 7 . 1 1 23 23 VAL C C 14 177.586 177.586 178.246 -0.660 18221 3249 1 7 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.098 0.100 18221 3250 1 7 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.832 -0.312 18221 3251 1 7 . 1 1 23 23 VAL H H 14 7.888 7.888 8.135 -0.247 18221 3252 1 7 . 1 1 24 24 ALA N N 15 121.333 121.333 121.979 -0.646 18221 3253 1 7 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.977 0.004 18221 3254 1 7 . 1 1 24 24 ALA C C 15 180.373 180.373 179.351 1.022 18221 3255 1 7 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.226 -0.215 18221 3256 1 7 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.849 -0.597 18221 3257 1 7 . 1 1 24 24 ALA H H 15 8.037 8.037 7.768 0.269 18221 3258 1 7 . 1 1 25 25 ALA N N 16 121.158 121.158 119.217 1.941 18221 3259 1 7 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.162 -0.016 18221 3260 1 7 . 1 1 25 25 ALA C C 16 179.828 179.828 178.770 1.058 18221 3261 1 7 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.587 -0.136 18221 3262 1 7 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.469 -0.982 18221 3263 1 7 . 1 1 25 25 ALA H H 16 7.819 7.819 7.877 -0.058 18221 3264 1 7 . 1 1 26 26 VAL N N 17 118.417 118.417 116.194 2.223 18221 3265 1 7 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.884 -0.106 18221 3266 1 7 . 1 1 26 26 VAL C C 17 178.020 178.020 176.533 1.487 18221 3267 1 7 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.474 1.104 18221 3268 1 7 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.121 -1.036 18221 3269 1 7 . 1 1 26 26 VAL H H 17 7.848 7.848 7.384 0.464 18221 3270 1 7 . 1 1 27 27 VAL N N 18 119.240 119.240 119.656 -0.416 18221 3271 1 7 . 1 1 27 27 VAL C C 18 177.719 177.719 176.549 1.170 18221 3272 1 7 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.932 1.059 18221 3273 1 7 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.323 -2.136 18221 3274 1 7 . 1 1 27 27 VAL H H 18 8.377 8.377 7.353 1.024 18221 3275 1 7 . 1 1 28 28 GLY N N 19 106.009 106.009 106.634 -0.625 18221 3276 1 7 . 1 1 28 28 GLY C C 19 176.212 176.212 174.556 1.656 18221 3277 1 7 . 1 1 28 28 GLY CA C 19 46.244 46.244 47.166 -0.922 18221 3278 1 7 . 1 1 28 28 GLY H H 19 8.122 8.122 7.883 0.239 18221 3279 1 7 . 1 1 29 29 GLY N N 20 110.216 110.216 112.737 -2.521 18221 3280 1 7 . 1 1 29 29 GLY C C 20 174.097 174.097 175.367 -1.270 18221 3281 1 7 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.654 1.681 18221 3282 1 7 . 1 1 29 29 GLY H H 20 8.039 8.039 7.871 0.168 18221 3283 1 7 . 1 1 30 30 VAL N N 21 121.188 121.188 121.761 -0.573 18221 3284 1 7 . 1 1 30 30 VAL C C 21 177.073 177.073 177.132 -0.059 18221 3285 1 7 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.854 -3.280 18221 3286 1 7 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.946 -1.156 18221 3287 1 7 . 1 1 30 30 VAL H H 21 7.983 7.983 7.927 0.056 18221 3288 1 7 . 1 1 32 32 ALA N N 23 125.091 125.091 121.593 3.498 18221 3289 1 7 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.088 0.172 18221 3290 1 7 . 1 1 32 32 ALA C C 23 179.523 179.523 180.022 -0.499 18221 3291 1 7 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.136 -1.453 18221 3292 1 7 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.073 -1.690 18221 3293 1 7 . 1 1 32 32 ALA H H 23 8.036 8.036 7.569 0.467 18221 3294 1 7 . 1 1 33 33 VAL N N 24 118.793 118.793 116.889 1.904 18221 3295 1 7 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.801 -0.093 18221 3296 1 7 . 1 1 33 33 VAL C C 24 177.901 177.901 178.207 -0.306 18221 3297 1 7 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.923 0.507 18221 3298 1 7 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.776 0.542 18221 3299 1 7 . 1 1 33 33 VAL H H 24 8.195 8.195 8.170 0.025 18221 3300 1 7 . 1 1 34 34 GLY N N 25 108.367 108.367 108.589 -0.222 18221 3301 1 7 . 1 1 34 34 GLY C C 25 175.424 175.424 176.106 -0.682 18221 3302 1 7 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.519 -0.185 18221 3303 1 7 . 1 1 34 34 GLY H H 25 8.651 8.651 8.037 0.614 18221 3304 1 7 . 1 1 35 35 THR N N 26 116.448 116.448 119.509 -3.061 18221 3305 1 7 . 1 1 35 35 THR C C 26 176.843 176.843 176.932 -0.089 18221 3306 1 7 . 1 1 35 35 THR CA C 26 65.962 65.962 67.524 -1.562 18221 3307 1 7 . 1 1 35 35 THR CB C 26 68.414 68.414 68.819 -0.404 18221 3308 1 7 . 1 1 35 35 THR H H 26 7.975 7.975 8.043 -0.068 18221 3309 1 7 . 1 1 36 36 VAL N N 27 122.810 122.810 121.761 1.049 18221 3310 1 7 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.581 0.138 18221 3311 1 7 . 1 1 36 36 VAL C C 27 177.618 177.618 177.439 0.179 18221 3312 1 7 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.618 -0.892 18221 3313 1 7 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.738 -1.071 18221 3314 1 7 . 1 1 36 36 VAL H H 27 7.559 7.559 8.050 -0.491 18221 3315 1 7 . 1 1 37 37 LEU N N 28 119.566 119.566 120.155 -0.589 18221 3316 1 7 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.843 0.110 18221 3317 1 7 . 1 1 37 37 LEU C C 28 179.666 179.666 178.878 0.788 18221 3318 1 7 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.292 -0.447 18221 3319 1 7 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.965 -1.799 18221 3320 1 7 . 1 1 37 37 LEU H H 28 8.086 8.086 7.773 0.313 18221 3321 1 7 . 1 1 38 38 VAL N N 29 119.468 119.468 117.468 2.000 18221 3322 1 7 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.491 0.162 18221 3323 1 7 . 1 1 38 38 VAL C C 29 178.639 178.639 178.348 0.291 18221 3324 1 7 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.293 -0.820 18221 3325 1 7 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.774 -0.165 18221 3326 1 7 . 1 1 38 38 VAL H H 29 8.066 8.066 8.370 -0.304 18221 3327 1 7 . 1 1 39 39 ALA N N 30 124.255 124.255 122.481 1.774 18221 3328 1 7 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.042 0.123 18221 3329 1 7 . 1 1 39 39 ALA C C 30 180.303 180.303 179.737 0.566 18221 3330 1 7 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.118 -0.284 18221 3331 1 7 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.359 -0.651 18221 3332 1 7 . 1 1 39 39 ALA H H 30 7.688 7.688 7.863 -0.175 18221 3333 1 7 . 1 1 40 40 LEU N N 31 118.268 118.268 119.458 -1.190 18221 3334 1 7 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.079 0.062 18221 3335 1 7 . 1 1 40 40 LEU C C 31 179.271 179.271 179.419 -0.148 18221 3336 1 7 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.389 -0.311 18221 3337 1 7 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.757 0.145 18221 3338 1 7 . 1 1 40 40 LEU H H 31 8.326 8.326 8.002 0.324 18221 3339 1 7 . 1 1 41 41 SER N N 32 114.984 114.984 113.741 1.243 18221 3340 1 7 . 1 1 41 41 SER HA H 32 3.952 3.952 4.129 -0.177 18221 3341 1 7 . 1 1 41 41 SER C C 32 176.284 176.284 174.954 1.330 18221 3342 1 7 . 1 1 41 41 SER CA C 32 60.885 60.885 61.027 -0.142 18221 3343 1 7 . 1 1 41 41 SER CB C 32 62.410 62.410 63.351 -0.941 18221 3344 1 7 . 1 1 41 41 SER H H 32 8.062 8.062 8.144 -0.082 18221 3345 1 7 . 1 1 42 42 ALA N N 33 124.588 124.588 121.594 2.994 18221 3346 1 7 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.170 0.055 18221 3347 1 7 . 1 1 42 42 ALA C C 33 179.033 179.033 176.438 2.595 18221 3348 1 7 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.586 1.127 18221 3349 1 7 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.568 -1.639 18221 3350 1 7 . 1 1 42 42 ALA H H 33 7.813 7.813 7.862 -0.049 18221 3351 1 7 . 1 1 43 43 MET N N 34 116.808 116.808 115.166 1.642 18221 3352 1 7 . 1 1 43 43 MET HA H 34 4.285 4.285 4.454 -0.169 18221 3353 1 7 . 1 1 43 43 MET C C 34 176.807 176.807 175.853 0.954 18221 3354 1 7 . 1 1 43 43 MET CA C 34 56.576 56.576 56.262 0.314 18221 3355 1 7 . 1 1 43 43 MET CB C 34 32.435 32.435 34.175 -1.740 18221 3356 1 7 . 1 1 43 43 MET H H 34 7.691 7.691 8.023 -0.332 18221 3357 1 7 . 1 1 44 44 GLY N N 35 107.020 107.020 107.755 -0.735 18221 3358 1 7 . 1 1 44 44 GLY C C 35 174.493 174.493 174.152 0.341 18221 3359 1 7 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.588 -0.523 18221 3360 1 7 . 1 1 44 44 GLY H H 35 7.793 7.793 8.432 -0.639 18221 3361 1 7 . 1 1 45 45 PHE N N 36 120.285 120.285 118.873 1.412 18221 3362 1 7 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.878 -0.371 18221 3363 1 7 . 1 1 45 45 PHE C C 36 176.876 176.876 173.887 2.989 18221 3364 1 7 . 1 1 45 45 PHE CA C 36 58.937 58.937 56.909 2.028 18221 3365 1 7 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.598 -1.420 18221 3366 1 7 . 1 1 45 45 PHE H H 36 8.215 8.215 7.666 0.549 18221 3367 1 7 . 1 1 46 46 THR N N 37 114.008 114.008 114.213 -0.205 18221 3368 1 7 . 1 1 46 46 THR HA H 37 4.080 4.080 4.557 -0.477 18221 3369 1 7 . 1 1 46 46 THR C C 37 175.751 175.751 174.109 1.642 18221 3370 1 7 . 1 1 46 46 THR CA C 37 64.220 64.220 61.818 2.402 18221 3371 1 7 . 1 1 46 46 THR CB C 37 68.514 68.514 70.811 -2.297 18221 3372 1 7 . 1 1 46 46 THR H H 37 8.111 8.111 7.515 0.596 18221 3373 1 7 . 1 1 47 47 SER N N 38 116.646 116.646 117.723 -1.077 18221 3374 1 7 . 1 1 47 47 SER HA H 38 3.918 3.918 4.395 -0.477 18221 3375 1 7 . 1 1 47 47 SER C C 38 176.744 176.744 175.528 1.216 18221 3376 1 7 . 1 1 47 47 SER CA C 38 59.911 59.911 59.702 0.209 18221 3377 1 7 . 1 1 47 47 SER CB C 38 62.624 62.624 63.565 -0.941 18221 3378 1 7 . 1 1 47 47 SER H H 38 8.079 8.079 8.686 -0.607 18221 3379 1 7 . 1 1 48 48 VAL N N 39 121.929 121.929 122.018 -0.089 18221 3380 1 7 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.822 0.087 18221 3381 1 7 . 1 1 48 48 VAL C C 39 177.033 177.033 177.604 -0.571 18221 3382 1 7 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.511 -1.523 18221 3383 1 7 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.785 -1.118 18221 3384 1 7 . 1 1 48 48 VAL H H 39 7.985 7.985 7.970 0.015 18221 3385 1 7 . 1 1 49 49 GLY N N 40 108.633 108.633 107.835 0.798 18221 3386 1 7 . 1 1 49 49 GLY C C 40 176.038 176.038 176.465 -0.427 18221 3387 1 7 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.585 -0.720 18221 3388 1 7 . 1 1 49 49 GLY H H 40 8.267 8.267 8.476 -0.209 18221 3389 1 7 . 1 1 50 50 ILE N N 41 122.466 122.466 122.942 -0.476 18221 3390 1 7 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.762 0.109 18221 3391 1 7 . 1 1 50 50 ILE C C 41 178.363 178.363 177.886 0.477 18221 3392 1 7 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.818 -0.303 18221 3393 1 7 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.489 -0.251 18221 3394 1 7 . 1 1 50 50 ILE H H 41 7.865 7.865 8.008 -0.143 18221 3395 1 7 . 1 1 51 51 ALA N N 42 125.064 125.064 121.276 3.788 18221 3396 1 7 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.962 0.137 18221 3397 1 7 . 1 1 51 51 ALA C C 42 179.385 179.385 179.338 0.047 18221 3398 1 7 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.194 -0.714 18221 3399 1 7 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.009 -0.522 18221 3400 1 7 . 1 1 51 51 ALA H H 42 7.930 7.930 7.840 0.090 18221 3401 1 7 . 1 1 52 52 ALA N N 43 120.594 120.594 120.569 0.025 18221 3402 1 7 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.104 -0.167 18221 3403 1 7 . 1 1 52 52 ALA C C 43 179.088 179.088 179.997 -0.909 18221 3404 1 7 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.820 0.280 18221 3405 1 7 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.015 -0.380 18221 3406 1 7 . 1 1 52 52 ALA H H 43 8.639 8.639 8.162 0.477 18221 3407 1 7 . 1 1 53 53 SER N N 44 113.012 113.012 114.516 -1.504 18221 3408 1 7 . 1 1 53 53 SER HA H 44 3.966 3.966 4.256 -0.290 18221 3409 1 7 . 1 1 53 53 SER C C 44 176.898 176.898 176.890 0.008 18221 3410 1 7 . 1 1 53 53 SER CA C 44 61.139 61.139 61.735 -0.596 18221 3411 1 7 . 1 1 53 53 SER CB C 44 62.347 62.347 62.975 -0.628 18221 3412 1 7 . 1 1 53 53 SER H H 44 8.193 8.193 8.126 0.067 18221 3413 1 7 . 1 1 54 54 SER N N 45 118.714 118.714 118.419 0.295 18221 3414 1 7 . 1 1 54 54 SER HA H 45 3.975 3.975 4.230 -0.255 18221 3415 1 7 . 1 1 54 54 SER C C 45 177.131 177.131 176.687 0.444 18221 3416 1 7 . 1 1 54 54 SER CA C 45 61.210 61.210 61.848 -0.638 18221 3417 1 7 . 1 1 54 54 SER CB C 45 62.255 62.255 63.101 -0.846 18221 3418 1 7 . 1 1 54 54 SER H H 45 7.944 7.944 8.106 -0.162 18221 3419 1 7 . 1 1 55 55 ILE N N 46 122.912 122.912 118.143 4.769 18221 3420 1 7 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.840 -0.083 18221 3421 1 7 . 1 1 55 55 ILE C C 46 177.813 177.813 177.332 0.481 18221 3422 1 7 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.238 -0.047 18221 3423 1 7 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.596 -0.670 18221 3424 1 7 . 1 1 55 55 ILE H H 46 8.028 8.028 8.104 -0.076 18221 3425 1 7 . 1 1 56 56 ALA N N 47 122.990 122.990 122.392 0.598 18221 3426 1 7 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.071 -0.115 18221 3427 1 7 . 1 1 56 56 ALA C C 47 180.294 180.294 178.763 1.531 18221 3428 1 7 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.002 0.336 18221 3429 1 7 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.737 -1.035 18221 3430 1 7 . 1 1 56 56 ALA H H 47 8.333 8.333 7.966 0.367 18221 3431 1 7 . 1 1 57 57 ALA N N 48 121.988 121.988 122.346 -0.358 18221 3432 1 7 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.118 -0.050 18221 3433 1 7 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.525 1.896 18221 3434 1 7 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.604 -1.902 18221 3435 1 7 . 1 1 57 57 ALA H H 48 7.879 7.879 7.691 0.188 18221 3436 1 7 . 1 1 58 58 LYS N N 49 119.094 119.094 117.180 1.914 18221 3437 1 7 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.975 0.171 18221 3438 1 7 . 1 1 58 58 LYS C C 49 179.649 179.649 175.582 4.067 18221 3439 1 7 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.080 0.077 18221 3440 1 7 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.620 -0.290 18221 3441 1 7 . 1 1 58 58 LYS H H 49 7.727 7.727 8.015 -0.288 18221 3442 1 7 . 1 1 59 59 MET N N 50 120.498 120.498 121.790 -1.292 18221 3443 1 7 . 1 1 59 59 MET HA H 50 4.156 4.156 4.370 -0.214 18221 3444 1 7 . 1 1 59 59 MET C C 50 177.949 177.949 174.809 3.140 18221 3445 1 7 . 1 1 59 59 MET CA C 50 57.136 57.136 56.107 1.029 18221 3446 1 7 . 1 1 59 59 MET CB C 50 31.922 31.922 33.058 -1.136 18221 3447 1 7 . 1 1 59 59 MET H H 50 8.395 8.395 8.482 -0.087 18221 3448 1 7 . 1 1 60 60 MET N N 51 117.689 117.689 121.006 -3.317 18221 3449 1 7 . 1 1 60 60 MET HA H 51 4.222 4.222 4.322 -0.100 18221 3450 1 7 . 1 1 60 60 MET C C 51 177.674 177.674 174.674 3.000 18221 3451 1 7 . 1 1 60 60 MET CA C 51 57.638 57.638 55.672 1.966 18221 3452 1 7 . 1 1 60 60 MET CB C 51 31.785 31.785 31.824 -0.039 18221 3453 1 7 . 1 1 60 60 MET H H 51 8.234 8.234 8.287 -0.053 18221 3454 1 7 . 1 1 61 61 SER N N 52 114.385 114.385 119.331 -4.946 18221 3455 1 7 . 1 1 61 61 SER HA H 52 4.001 4.001 4.584 -0.583 18221 3456 1 7 . 1 1 61 61 SER C C 52 176.079 176.079 174.584 1.495 18221 3457 1 7 . 1 1 61 61 SER CA C 52 59.911 59.911 58.590 1.321 18221 3458 1 7 . 1 1 61 61 SER CB C 52 62.624 62.624 63.174 -0.550 18221 3459 1 7 . 1 1 61 61 SER H H 52 7.893 7.893 8.364 -0.471 18221 3460 1 7 . 1 1 62 62 THR N N 53 117.304 117.304 118.894 -1.590 18221 3461 1 7 . 1 1 62 62 THR HA H 53 4.104 4.104 4.602 -0.498 18221 3462 1 7 . 1 1 62 62 THR C C 53 175.436 175.436 174.167 1.269 18221 3463 1 7 . 1 1 62 62 THR CA C 53 64.220 64.220 61.467 2.753 18221 3464 1 7 . 1 1 62 62 THR CB C 53 68.514 68.514 70.576 -2.062 18221 3465 1 7 . 1 1 62 62 THR H H 53 7.794 7.794 8.005 -0.211 18221 3466 1 7 . 1 1 63 63 ALA N N 54 125.382 125.382 127.436 -2.054 18221 3467 1 7 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.339 -0.245 18221 3468 1 7 . 1 1 63 63 ALA C C 54 178.328 178.328 176.944 1.384 18221 3469 1 7 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.633 1.464 18221 3470 1 7 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.644 -0.936 18221 3471 1 7 . 1 1 63 63 ALA H H 54 8.204 8.204 8.512 -0.308 18221 3472 1 7 . 1 1 64 64 ALA N N 55 119.929 119.929 119.806 0.123 18221 3473 1 7 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.081 0.044 18221 3474 1 7 . 1 1 64 64 ALA C C 55 179.183 179.183 176.510 2.673 18221 3475 1 7 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.564 1.473 18221 3476 1 7 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.526 -0.817 18221 3477 1 7 . 1 1 64 64 ALA H H 55 7.951 7.951 7.558 0.393 18221 3478 1 7 . 1 1 65 65 ILE N N 56 117.016 117.016 118.967 -1.951 18221 3479 1 7 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.374 -0.424 18221 3480 1 7 . 1 1 65 65 ILE C C 56 177.222 177.222 175.319 1.903 18221 3481 1 7 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.794 0.390 18221 3482 1 7 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.739 -2.666 18221 3483 1 7 . 1 1 65 65 ILE H H 56 7.561 7.561 8.785 -1.224 18221 3484 1 7 . 1 1 66 66 ALA N N 57 124.191 124.191 123.560 0.631 18221 3485 1 7 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.492 -0.315 18221 3486 1 7 . 1 1 66 66 ALA C C 57 178.190 178.190 175.412 2.778 18221 3487 1 7 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.084 1.452 18221 3488 1 7 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.328 -1.399 18221 3489 1 7 . 1 1 66 66 ALA H H 57 7.982 7.982 7.702 0.280 18221 3490 1 7 . 1 1 67 67 ASN N N 58 116.132 116.132 117.017 -0.885 18221 3491 1 7 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.906 -0.233 18221 3492 1 7 . 1 1 67 67 ASN C C 58 176.344 176.344 174.610 1.734 18221 3493 1 7 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.164 0.313 18221 3494 1 7 . 1 1 67 67 ASN CB C 58 38.472 38.472 37.824 0.648 18221 3495 1 7 . 1 1 67 67 ASN H H 58 8.113 8.113 7.757 0.356 18221 3496 1 7 . 1 1 68 68 GLY N N 59 108.808 108.808 109.291 -0.483 18221 3497 1 7 . 1 1 68 68 GLY C C 59 174.958 174.958 173.764 1.194 18221 3498 1 7 . 1 1 68 68 GLY CA C 59 45.655 45.655 46.031 -0.376 18221 3499 1 7 . 1 1 68 68 GLY H H 59 8.152 8.152 8.574 -0.422 18221 3500 1 7 . 1 1 69 69 GLY N N 60 108.832 108.832 109.984 -1.152 18221 3501 1 7 . 1 1 69 69 GLY C C 60 174.631 174.631 173.916 0.715 18221 3502 1 7 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.923 0.496 18221 3503 1 7 . 1 1 69 69 GLY H H 60 8.218 8.218 8.429 -0.211 18221 3504 1 7 . 1 1 70 70 GLY N N 61 108.966 108.966 108.208 0.758 18221 3505 1 7 . 1 1 70 70 GLY C C 61 174.594 174.594 174.475 0.119 18221 3506 1 7 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.332 0.028 18221 3507 1 7 . 1 1 70 70 GLY H H 61 8.175 8.175 8.095 0.080 18221 3508 1 7 . 1 1 71 71 VAL N N 62 120.209 120.209 120.775 -0.566 18221 3509 1 7 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.672 0.334 18221 3510 1 7 . 1 1 71 71 VAL C C 62 176.077 176.077 175.069 1.008 18221 3511 1 7 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.621 -0.231 18221 3512 1 7 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.119 -0.421 18221 3513 1 7 . 1 1 71 71 VAL H H 62 7.882 7.882 8.137 -0.255 18221 3514 1 7 . 1 1 72 72 ALA N N 63 126.966 126.966 125.154 1.812 18221 3515 1 7 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.096 -0.070 18221 3516 1 7 . 1 1 72 72 ALA C C 63 178.064 178.064 176.388 1.676 18221 3517 1 7 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.381 0.122 18221 3518 1 7 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.785 -0.560 18221 3519 1 7 . 1 1 72 72 ALA H H 63 8.237 8.237 8.309 -0.072 18221 3520 1 7 . 1 1 73 73 ALA N N 64 123.432 123.432 125.824 -2.392 18221 3521 1 7 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.617 -0.602 18221 3522 1 7 . 1 1 73 73 ALA C C 64 178.995 178.995 177.542 1.453 18221 3523 1 7 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.167 3.254 18221 3524 1 7 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.907 -2.905 18221 3525 1 7 . 1 1 73 73 ALA H H 64 8.421 8.421 8.086 0.335 18221 3526 1 7 . 1 1 74 74 GLY N N 65 105.577 105.577 105.640 -0.063 18221 3527 1 7 . 1 1 74 74 GLY C C 65 176.367 176.367 176.034 0.333 18221 3528 1 7 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.607 0.637 18221 3529 1 7 . 1 1 74 74 GLY H H 65 8.448 8.448 8.021 0.427 18221 3530 1 7 . 1 1 75 75 SER N N 66 117.656 117.656 117.590 0.066 18221 3531 1 7 . 1 1 75 75 SER HA H 66 4.394 4.394 4.295 0.099 18221 3532 1 7 . 1 1 75 75 SER C C 66 176.329 176.329 177.028 -0.699 18221 3533 1 7 . 1 1 75 75 SER CA C 66 60.236 60.236 60.549 -0.313 18221 3534 1 7 . 1 1 75 75 SER CB C 66 62.476 62.476 62.845 -0.369 18221 3535 1 7 . 1 1 75 75 SER H H 66 7.899 7.899 8.165 -0.266 18221 3536 1 7 . 1 1 76 76 LEU N N 67 122.743 122.743 121.779 0.964 18221 3537 1 7 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.990 0.060 18221 3538 1 7 . 1 1 76 76 LEU C C 67 178.442 178.442 178.339 0.103 18221 3539 1 7 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.460 0.060 18221 3540 1 7 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.804 -1.123 18221 3541 1 7 . 1 1 76 76 LEU H H 67 7.955 7.955 8.281 -0.326 18221 3542 1 7 . 1 1 77 77 VAL N N 68 118.400 118.400 118.215 0.185 18221 3543 1 7 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.450 0.021 18221 3544 1 7 . 1 1 77 77 VAL C C 68 177.297 177.297 177.599 -0.302 18221 3545 1 7 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.291 0.379 18221 3546 1 7 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.957 -0.437 18221 3547 1 7 . 1 1 77 77 VAL H H 68 8.039 8.039 8.027 0.012 18221 3548 1 7 . 1 1 78 78 ALA N N 69 121.927 121.927 122.191 -0.264 18221 3549 1 7 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.983 0.222 18221 3550 1 7 . 1 1 78 78 ALA C C 69 181.258 181.258 179.448 1.810 18221 3551 1 7 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.442 -0.460 18221 3552 1 7 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.769 -0.355 18221 3553 1 7 . 1 1 78 78 ALA H H 69 7.631 7.631 7.857 -0.226 18221 3554 1 7 . 1 1 79 79 ILE N N 70 119.782 119.782 119.732 0.050 18221 3555 1 7 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.686 0.110 18221 3556 1 7 . 1 1 79 79 ILE C C 70 178.253 178.253 177.967 0.286 18221 3557 1 7 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.991 -0.639 18221 3558 1 7 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.750 -0.677 18221 3559 1 7 . 1 1 79 79 ILE H H 70 7.841 7.841 7.228 0.613 18221 3560 1 7 . 1 1 80 80 LEU N N 71 120.841 120.841 119.993 0.848 18221 3561 1 7 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.852 0.085 18221 3562 1 7 . 1 1 80 80 LEU C C 71 179.234 179.234 178.971 0.263 18221 3563 1 7 . 1 1 80 80 LEU CA C 71 57.845 57.845 57.965 -0.120 18221 3564 1 7 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.765 -0.746 18221 3565 1 7 . 1 1 80 80 LEU H H 71 8.190 8.190 8.321 -0.131 18221 3566 1 7 . 1 1 81 81 GLN N N 72 117.558 117.558 118.245 -0.687 18221 3567 1 7 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.931 0.038 18221 3568 1 7 . 1 1 81 81 GLN C C 72 178.530 178.530 178.876 -0.346 18221 3569 1 7 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.301 -0.482 18221 3570 1 7 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.660 -1.380 18221 3571 1 7 . 1 1 81 81 GLN H H 72 8.489 8.489 8.430 0.059 18221 3572 1 7 . 1 1 82 82 SER N N 73 116.103 116.103 115.460 0.643 18221 3573 1 7 . 1 1 82 82 SER HA H 73 4.233 4.233 4.189 0.044 18221 3574 1 7 . 1 1 82 82 SER C C 73 177.243 177.243 176.986 0.257 18221 3575 1 7 . 1 1 82 82 SER CA C 73 61.044 61.044 61.983 -0.939 18221 3576 1 7 . 1 1 82 82 SER CB C 73 62.257 62.257 63.201 -0.944 18221 3577 1 7 . 1 1 82 82 SER H H 73 7.855 7.855 8.097 -0.242 18221 3578 1 7 . 1 1 83 83 VAL N N 74 120.362 120.362 121.208 -0.846 18221 3579 1 7 . 1 1 83 83 VAL C C 74 177.979 177.979 177.748 0.231 18221 3580 1 7 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.323 -1.217 18221 3581 1 7 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.171 -0.430 18221 3582 1 7 . 1 1 83 83 VAL H H 74 8.030 8.030 8.285 -0.255 18221 3583 1 7 . 1 1 84 84 GLY N N 75 108.223 108.223 106.372 1.851 18221 3584 1 7 . 1 1 84 84 GLY C C 75 174.913 174.913 175.630 -0.717 18221 3585 1 7 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.997 -0.220 18221 3586 1 7 . 1 1 84 84 GLY H H 75 8.369 8.369 7.937 0.432 18221 3587 1 7 . 1 1 85 85 ALA N N 76 123.550 123.550 124.576 -1.026 18221 3588 1 7 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.179 -0.085 18221 3589 1 7 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.616 -0.018 18221 3590 1 7 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.351 -0.728 18221 3591 1 7 . 1 1 85 85 ALA H H 76 8.115 8.115 8.066 0.049 18221 3592 1 7 . 1 1 86 86 ALA N N 77 120.410 120.410 122.556 -2.146 18221 3593 1 7 . 1 1 86 86 ALA C C 77 178.988 178.988 179.515 -0.527 18221 3594 1 7 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.103 -0.267 18221 3595 1 7 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.975 -0.465 18221 3596 1 7 . 1 1 86 86 ALA H H 77 8.632 8.632 8.172 0.460 18221 3597 1 7 . 1 1 87 87 GLY N N 78 105.706 105.706 106.933 -1.227 18221 3598 1 7 . 1 1 87 87 GLY C C 78 175.939 175.939 175.883 0.056 18221 3599 1 7 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.777 -0.659 18221 3600 1 7 . 1 1 87 87 GLY H H 78 8.196 8.196 7.941 0.255 18221 3601 1 7 . 1 1 88 88 LEU N N 79 124.128 124.128 122.264 1.864 18221 3602 1 7 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.689 -0.287 18221 3603 1 7 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.977 -1.590 18221 3604 1 7 . 1 1 88 88 LEU H H 79 8.449 8.449 8.176 0.273 18221 3605 1 7 . 1 1 89 89 SER N N 80 116.251 116.251 115.669 0.582 18221 3606 1 7 . 1 1 89 89 SER C C 80 179.153 179.153 175.927 3.226 18221 3607 1 7 . 1 1 89 89 SER CA C 80 61.023 61.023 62.723 -1.700 18221 3608 1 7 . 1 1 89 89 SER CB C 80 62.255 62.255 62.803 -0.548 18221 3609 1 7 . 1 1 89 89 SER H H 80 8.120 8.120 8.329 -0.209 18221 3610 1 7 . 1 1 90 90 VAL N N 81 119.310 119.310 120.925 -1.615 18221 3611 1 7 . 1 1 90 90 VAL C C 81 177.652 177.652 177.403 0.249 18221 3612 1 7 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.833 -0.757 18221 3613 1 7 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.796 -0.466 18221 3614 1 7 . 1 1 90 90 VAL H H 81 7.955 7.955 7.929 0.026 18221 3615 1 7 . 1 1 91 91 THR N N 82 115.535 115.535 116.748 -1.213 18221 3616 1 7 . 1 1 91 91 THR C C 82 176.571 176.571 176.590 -0.019 18221 3617 1 7 . 1 1 91 91 THR CA C 82 66.434 66.434 67.461 -1.027 18221 3618 1 7 . 1 1 91 91 THR CB C 82 67.742 67.742 68.489 -0.747 18221 3619 1 7 . 1 1 91 91 THR H H 82 7.888 7.888 8.359 -0.471 18221 3620 1 7 . 1 1 92 92 SER N N 83 116.537 116.537 117.881 -1.344 18221 3621 1 7 . 1 1 92 92 SER HA H 83 4.040 4.040 3.768 0.272 18221 3622 1 7 . 1 1 92 92 SER C C 83 176.761 176.761 176.342 0.419 18221 3623 1 7 . 1 1 92 92 SER CA C 83 61.564 61.564 62.080 -0.516 18221 3624 1 7 . 1 1 92 92 SER CB C 83 62.009 62.009 62.570 -0.561 18221 3625 1 7 . 1 1 92 92 SER H H 83 8.212 8.212 7.930 0.282 18221 3626 1 7 . 1 1 93 93 LYS N N 84 122.353 122.353 121.318 1.035 18221 3627 1 7 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.917 0.202 18221 3628 1 7 . 1 1 93 93 LYS C C 84 172.812 172.812 179.187 -6.375 18221 3629 1 7 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.592 -1.157 18221 3630 1 7 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.454 -0.977 18221 3631 1 7 . 1 1 93 93 LYS H H 84 7.642 7.642 8.294 -0.652 18221 3632 1 7 . 1 1 94 94 VAL N N 85 119.348 119.348 118.508 0.840 18221 3633 1 7 . 1 1 94 94 VAL C C 85 177.948 177.948 176.886 1.062 18221 3634 1 7 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.336 0.053 18221 3635 1 7 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.743 0.103 18221 3636 1 7 . 1 1 94 94 VAL H H 85 8.414 8.414 7.706 0.708 18221 3637 1 7 . 1 1 95 95 ILE N N 86 118.769 118.769 116.974 1.795 18221 3638 1 7 . 1 1 95 95 ILE C C 86 177.972 177.972 176.521 1.451 18221 3639 1 7 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.961 0.876 18221 3640 1 7 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.573 -1.941 18221 3641 1 7 . 1 1 95 95 ILE H H 86 8.169 8.169 7.727 0.442 18221 3642 1 7 . 1 1 96 96 GLY N N 87 107.955 107.955 105.453 2.502 18221 3643 1 7 . 1 1 96 96 GLY C C 87 176.571 176.571 174.241 2.330 18221 3644 1 7 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.534 1.977 18221 3645 1 7 . 1 1 96 96 GLY H H 87 8.182 8.182 8.278 -0.096 18221 3646 1 7 . 1 1 97 97 GLY N N 88 109.117 109.117 114.398 -5.281 18221 3647 1 7 . 1 1 97 97 GLY C C 88 175.524 175.524 174.148 1.376 18221 3648 1 7 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.901 -1.069 18221 3649 1 7 . 1 1 97 97 GLY H H 88 7.953 7.953 8.682 -0.729 18221 3650 1 7 . 1 1 98 98 PHE N N 89 121.100 121.100 118.352 2.748 18221 3651 1 7 . 1 1 98 98 PHE C C 89 176.367 176.367 174.746 1.621 18221 3652 1 7 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.670 -1.770 18221 3653 1 7 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.910 -1.078 18221 3654 1 7 . 1 1 98 98 PHE H H 89 8.000 8.000 8.299 -0.299 18221 3655 1 7 . 1 1 99 99 ALA N N 90 122.834 122.834 122.626 0.208 18221 3656 1 7 . 1 1 99 99 ALA C C 90 178.348 178.348 178.257 0.091 18221 3657 1 7 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.203 3.074 18221 3658 1 7 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.329 -1.915 18221 3659 1 7 . 1 1 99 99 ALA H H 90 8.322 8.322 8.038 0.284 18221 3660 1 7 . 1 1 100 100 GLY N N 91 106.688 106.688 109.151 -2.463 18221 3661 1 7 . 1 1 100 100 GLY C C 91 175.878 175.878 175.348 0.530 18221 3662 1 7 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.376 -0.750 18221 3663 1 7 . 1 1 100 100 GLY H H 91 8.000 8.000 8.355 -0.355 18221 3664 1 7 . 1 1 101 101 THR N N 92 115.689 115.689 119.680 -3.991 18221 3665 1 7 . 1 1 101 101 THR C C 92 178.476 178.476 172.701 5.775 18221 3666 1 7 . 1 1 101 101 THR CA C 92 63.364 63.364 63.415 -0.051 18221 3667 1 7 . 1 1 101 101 THR CB C 92 69.619 69.619 67.002 2.617 18221 3668 1 7 . 1 1 101 101 THR H H 92 7.754 7.754 8.099 -0.345 18221 3669 1 7 . 1 1 102 102 ALA N N 93 124.835 124.835 128.832 -3.997 18221 3670 1 7 . 1 1 102 102 ALA CA C 93 54.311 54.311 50.609 3.702 18221 3671 1 7 . 1 1 102 102 ALA CB C 93 17.679 17.679 21.790 -4.111 18221 3672 1 7 . 1 1 102 102 ALA H H 93 7.919 7.919 7.754 0.165 18221 3673 1 7 . 1 1 103 103 LEU N N 94 117.445 117.445 120.096 -2.651 18221 3674 1 7 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.762 0.020 18221 3675 1 7 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.294 -1.392 18221 3676 1 7 . 1 1 103 103 LEU H H 94 8.037 8.037 8.271 -0.234 18221 3677 1 7 . 1 1 104 104 GLY N N 95 106.296 106.296 113.412 -7.116 18221 3678 1 7 . 1 1 104 104 GLY C C 95 175.851 175.851 172.707 3.144 18221 3679 1 7 . 1 1 104 104 GLY CA C 95 46.570 46.570 45.682 0.888 18221 3680 1 7 . 1 1 104 104 GLY H H 95 7.900 7.900 8.590 -0.690 18221 3681 1 7 . 1 1 105 105 ALA N N 96 123.872 123.872 123.250 0.622 18221 3682 1 7 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.294 1.832 18221 3683 1 7 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.422 -0.835 18221 3684 1 7 . 1 1 105 105 ALA H H 96 7.804 7.804 8.343 -0.539 18221 3685 1 7 . 1 1 106 106 TRP N N 97 120.348 120.348 124.565 -4.217 18221 3686 1 7 . 1 1 106 106 TRP C C 97 176.857 176.857 175.081 1.776 18221 3687 1 7 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.632 -0.732 18221 3688 1 7 . 1 1 106 106 TRP H H 97 8.385 8.385 7.986 0.399 18221 3689 1 7 . 1 1 107 107 LEU N N 98 117.756 117.756 123.041 -5.285 18221 3690 1 7 . 1 1 107 107 LEU C C 98 177.659 177.659 176.189 1.470 18221 3691 1 7 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.698 -0.595 18221 3692 1 7 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.155 0.263 18221 3693 1 7 . 1 1 107 107 LEU H H 98 7.880 7.880 8.557 -0.677 18221 3694 1 7 . 1 1 108 108 GLY N N 99 107.285 107.285 110.819 -3.534 18221 3695 1 7 . 1 1 108 108 GLY C C 99 173.815 173.815 172.387 1.428 18221 3696 1 7 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.845 0.102 18221 3697 1 7 . 1 1 108 108 GLY H H 99 7.694 7.694 8.405 -0.711 18221 3698 1 7 . 1 1 109 109 SER N N 100 117.139 117.139 115.961 1.178 18221 3699 1 7 . 1 1 109 109 SER C C 100 172.179 172.179 173.236 -1.057 18221 3700 1 7 . 1 1 109 109 SER CA C 100 56.015 56.015 55.678 0.337 18221 3701 1 7 . 1 1 109 109 SER CB C 100 62.771 62.771 63.882 -1.111 18221 3702 1 7 . 1 1 109 109 SER H H 100 8.030 8.030 8.341 -0.311 18221 3703 1 7 . 1 1 111 111 PRO C C 102 177.073 177.073 175.646 1.427 18221 3704 1 7 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.135 -0.935 18221 3705 1 7 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.932 0.279 18221 3706 1 7 . 1 1 112 112 SER N N 103 117.115 117.115 119.639 -2.524 18221 3707 1 7 . 1 1 112 112 SER C C 103 173.898 173.898 173.931 -0.033 18221 3708 1 7 . 1 1 112 112 SER CA C 103 57.904 57.904 58.153 -0.249 18221 3709 1 7 . 1 1 112 112 SER CB C 103 63.360 63.360 63.929 -0.569 18221 3710 1 7 . 1 1 112 112 SER H H 103 8.345 8.345 8.342 0.003 18221 3711 1 8 . 1 1 11 11 GLY N N 2 109.366 109.366 112.713 -3.347 18221 3712 1 8 . 1 1 11 11 GLY C C 2 174.543 174.543 173.413 1.130 18221 3713 1 8 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.624 0.071 18221 3714 1 8 . 1 1 11 11 GLY H H 2 8.271 8.271 8.656 -0.385 18221 3715 1 8 . 1 1 12 12 LYS N N 3 121.129 121.129 122.011 -0.882 18221 3716 1 8 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.549 -0.417 18221 3717 1 8 . 1 1 12 12 LYS C C 3 177.234 177.234 175.336 1.898 18221 3718 1 8 . 1 1 12 12 LYS CA C 3 56.812 56.812 55.613 1.199 18221 3719 1 8 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.841 -1.995 18221 3720 1 8 . 1 1 12 12 LYS H H 3 8.057 8.057 8.104 -0.047 18221 3721 1 8 . 1 1 13 13 GLU N N 4 120.318 120.318 122.730 -2.412 18221 3722 1 8 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.209 -0.054 18221 3723 1 8 . 1 1 13 13 GLU C C 4 176.857 176.857 176.359 0.498 18221 3724 1 8 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.184 -0.313 18221 3725 1 8 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.552 -1.164 18221 3726 1 8 . 1 1 13 13 GLU H H 4 8.398 8.398 8.534 -0.136 18221 3727 1 8 . 1 1 14 14 SER N N 5 115.504 115.504 119.378 -3.874 18221 3728 1 8 . 1 1 14 14 SER HA H 5 3.843 3.843 4.294 -0.451 18221 3729 1 8 . 1 1 14 14 SER C C 5 175.337 175.337 174.967 0.370 18221 3730 1 8 . 1 1 14 14 SER CA C 5 58.524 58.524 58.432 0.092 18221 3731 1 8 . 1 1 14 14 SER CB C 5 63.360 63.360 63.143 0.217 18221 3732 1 8 . 1 1 14 14 SER H H 5 8.089 8.089 8.851 -0.762 18221 3733 1 8 . 1 1 15 15 GLY N N 6 110.761 110.761 114.960 -4.199 18221 3734 1 8 . 1 1 15 15 GLY C C 6 174.581 174.581 174.389 0.192 18221 3735 1 8 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.159 0.407 18221 3736 1 8 . 1 1 15 15 GLY H H 6 8.197 8.197 8.828 -0.631 18221 3737 1 8 . 1 1 16 16 TRP N N 7 121.800 121.800 122.781 -0.981 18221 3738 1 8 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.326 0.234 18221 3739 1 8 . 1 1 16 16 TRP C C 7 176.920 176.920 174.820 2.100 18221 3740 1 8 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.451 0.630 18221 3741 1 8 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.588 0.091 18221 3742 1 8 . 1 1 16 16 TRP H H 7 8.184 8.184 8.082 0.102 18221 3743 1 8 . 1 1 17 17 ASP N N 8 121.132 121.132 122.024 -0.892 18221 3744 1 8 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.413 -0.018 18221 3745 1 8 . 1 1 17 17 ASP C C 8 176.941 176.941 175.646 1.295 18221 3746 1 8 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.704 1.540 18221 3747 1 8 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.007 -1.062 18221 3748 1 8 . 1 1 17 17 ASP H H 8 8.332 8.332 8.170 0.162 18221 3749 1 8 . 1 1 18 18 SER N N 9 116.148 116.148 117.272 -1.124 18221 3750 1 8 . 1 1 18 18 SER HA H 9 3.861 3.861 4.271 -0.410 18221 3751 1 8 . 1 1 18 18 SER CA C 9 60.081 60.081 59.122 0.959 18221 3752 1 8 . 1 1 18 18 SER CB C 9 62.255 62.255 63.995 -1.740 18221 3753 1 8 . 1 1 18 18 SER H H 9 8.129 8.129 8.300 -0.171 18221 3754 1 8 . 1 1 19 19 GLY N N 10 110.747 110.747 110.948 -0.201 18221 3755 1 8 . 1 1 19 19 GLY C C 10 174.682 174.682 175.954 -1.272 18221 3756 1 8 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.785 0.815 18221 3757 1 8 . 1 1 19 19 GLY H H 10 8.216 8.216 8.451 -0.235 18221 3758 1 8 . 1 1 20 20 ARG N N 11 121.405 121.405 120.329 1.076 18221 3759 1 8 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.225 -0.368 18221 3760 1 8 . 1 1 20 20 ARG C C 11 178.328 178.328 179.107 -0.779 18221 3761 1 8 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.290 0.795 18221 3762 1 8 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.183 -1.136 18221 3763 1 8 . 1 1 20 20 ARG H H 11 8.158 8.158 8.528 -0.370 18221 3764 1 8 . 1 1 21 21 ALA N N 12 122.167 122.167 122.904 -0.737 18221 3765 1 8 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.086 0.014 18221 3766 1 8 . 1 1 21 21 ALA C C 12 180.129 180.129 179.535 0.594 18221 3767 1 8 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.764 -0.372 18221 3768 1 8 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.057 -0.643 18221 3769 1 8 . 1 1 21 21 ALA H H 12 7.963 7.963 8.339 -0.376 18221 3770 1 8 . 1 1 22 22 ALA N N 13 122.150 122.150 121.446 0.704 18221 3771 1 8 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.917 0.119 18221 3772 1 8 . 1 1 22 22 ALA C C 13 179.095 179.095 179.728 -0.633 18221 3773 1 8 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.032 -0.316 18221 3774 1 8 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.124 -0.563 18221 3775 1 8 . 1 1 22 22 ALA H H 13 7.881 7.881 8.275 -0.394 18221 3776 1 8 . 1 1 23 23 VAL N N 14 117.107 117.107 118.593 -1.486 18221 3777 1 8 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.599 -0.119 18221 3778 1 8 . 1 1 23 23 VAL C C 14 177.586 177.586 178.271 -0.685 18221 3779 1 8 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.855 0.343 18221 3780 1 8 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.708 -0.188 18221 3781 1 8 . 1 1 23 23 VAL H H 14 7.888 7.888 8.125 -0.237 18221 3782 1 8 . 1 1 24 24 ALA N N 15 121.333 121.333 121.979 -0.646 18221 3783 1 8 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.974 0.007 18221 3784 1 8 . 1 1 24 24 ALA C C 15 180.373 180.373 179.387 0.986 18221 3785 1 8 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.225 -0.214 18221 3786 1 8 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.846 -0.594 18221 3787 1 8 . 1 1 24 24 ALA H H 15 8.037 8.037 7.700 0.337 18221 3788 1 8 . 1 1 25 25 ALA N N 16 121.158 121.158 120.526 0.632 18221 3789 1 8 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.170 -0.024 18221 3790 1 8 . 1 1 25 25 ALA C C 16 179.828 179.828 179.079 0.749 18221 3791 1 8 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.800 -0.349 18221 3792 1 8 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.369 -0.882 18221 3793 1 8 . 1 1 25 25 ALA H H 16 7.819 7.819 7.808 0.011 18221 3794 1 8 . 1 1 26 26 VAL N N 17 118.417 118.417 115.950 2.467 18221 3795 1 8 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.933 -0.155 18221 3796 1 8 . 1 1 26 26 VAL C C 17 178.020 178.020 176.666 1.354 18221 3797 1 8 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.924 1.654 18221 3798 1 8 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.592 -0.507 18221 3799 1 8 . 1 1 26 26 VAL H H 17 7.848 7.848 7.834 0.014 18221 3800 1 8 . 1 1 27 27 VAL N N 18 119.240 119.240 119.226 0.014 18221 3801 1 8 . 1 1 27 27 VAL C C 18 177.719 177.719 176.776 0.943 18221 3802 1 8 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.686 2.305 18221 3803 1 8 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.300 -2.114 18221 3804 1 8 . 1 1 27 27 VAL H H 18 8.377 8.377 7.454 0.923 18221 3805 1 8 . 1 1 28 28 GLY N N 19 106.009 106.009 106.627 -0.618 18221 3806 1 8 . 1 1 28 28 GLY C C 19 176.212 176.212 174.434 1.778 18221 3807 1 8 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.579 -0.335 18221 3808 1 8 . 1 1 28 28 GLY H H 19 8.122 8.122 7.953 0.169 18221 3809 1 8 . 1 1 29 29 GLY N N 20 110.216 110.216 111.854 -1.638 18221 3810 1 8 . 1 1 29 29 GLY C C 20 174.097 174.097 175.387 -1.290 18221 3811 1 8 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.625 1.709 18221 3812 1 8 . 1 1 29 29 GLY H H 20 8.039 8.039 7.967 0.072 18221 3813 1 8 . 1 1 30 30 VAL N N 21 121.188 121.188 118.735 2.453 18221 3814 1 8 . 1 1 30 30 VAL C C 21 177.073 177.073 177.170 -0.097 18221 3815 1 8 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.440 -2.866 18221 3816 1 8 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.306 -0.516 18221 3817 1 8 . 1 1 30 30 VAL H H 21 7.983 7.983 7.959 0.024 18221 3818 1 8 . 1 1 32 32 ALA N N 23 125.091 125.091 120.829 4.262 18221 3819 1 8 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.098 0.162 18221 3820 1 8 . 1 1 32 32 ALA C C 23 179.523 179.523 180.027 -0.504 18221 3821 1 8 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.058 -1.375 18221 3822 1 8 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.006 -1.623 18221 3823 1 8 . 1 1 32 32 ALA H H 23 8.036 8.036 8.217 -0.181 18221 3824 1 8 . 1 1 33 33 VAL N N 24 118.793 118.793 117.905 0.888 18221 3825 1 8 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.626 0.082 18221 3826 1 8 . 1 1 33 33 VAL C C 24 177.901 177.901 178.211 -0.310 18221 3827 1 8 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.787 -1.357 18221 3828 1 8 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.476 -0.158 18221 3829 1 8 . 1 1 33 33 VAL H H 24 8.195 8.195 8.087 0.108 18221 3830 1 8 . 1 1 34 34 GLY N N 25 108.367 108.367 107.952 0.415 18221 3831 1 8 . 1 1 34 34 GLY C C 25 175.424 175.424 175.999 -0.575 18221 3832 1 8 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.518 -0.184 18221 3833 1 8 . 1 1 34 34 GLY H H 25 8.651 8.651 8.353 0.298 18221 3834 1 8 . 1 1 35 35 THR N N 26 116.448 116.448 119.379 -2.931 18221 3835 1 8 . 1 1 35 35 THR C C 26 176.843 176.843 177.053 -0.210 18221 3836 1 8 . 1 1 35 35 THR CA C 26 65.962 65.962 66.382 -0.420 18221 3837 1 8 . 1 1 35 35 THR CB C 26 68.414 68.414 68.582 -0.167 18221 3838 1 8 . 1 1 35 35 THR H H 26 7.975 7.975 8.308 -0.333 18221 3839 1 8 . 1 1 36 36 VAL N N 27 122.810 122.810 120.663 2.147 18221 3840 1 8 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.723 -0.004 18221 3841 1 8 . 1 1 36 36 VAL C C 27 177.618 177.618 177.750 -0.132 18221 3842 1 8 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.058 -0.332 18221 3843 1 8 . 1 1 36 36 VAL CB C 27 30.667 30.667 30.748 -0.081 18221 3844 1 8 . 1 1 36 36 VAL H H 27 7.559 7.559 8.062 -0.503 18221 3845 1 8 . 1 1 37 37 LEU N N 28 119.566 119.566 120.546 -0.980 18221 3846 1 8 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.965 -0.012 18221 3847 1 8 . 1 1 37 37 LEU C C 28 179.666 179.666 179.323 0.343 18221 3848 1 8 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.176 -0.331 18221 3849 1 8 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.605 -0.439 18221 3850 1 8 . 1 1 37 37 LEU H H 28 8.086 8.086 7.923 0.163 18221 3851 1 8 . 1 1 38 38 VAL N N 29 119.468 119.468 119.268 0.200 18221 3852 1 8 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.678 -0.025 18221 3853 1 8 . 1 1 38 38 VAL C C 29 178.639 178.639 178.384 0.255 18221 3854 1 8 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.846 -1.373 18221 3855 1 8 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.143 -0.534 18221 3856 1 8 . 1 1 38 38 VAL H H 29 8.066 8.066 8.272 -0.206 18221 3857 1 8 . 1 1 39 39 ALA N N 30 124.255 124.255 122.870 1.385 18221 3858 1 8 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.089 0.076 18221 3859 1 8 . 1 1 39 39 ALA C C 30 180.303 180.303 180.126 0.177 18221 3860 1 8 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.313 -0.479 18221 3861 1 8 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.147 -0.439 18221 3862 1 8 . 1 1 39 39 ALA H H 30 7.688 7.688 8.041 -0.353 18221 3863 1 8 . 1 1 40 40 LEU N N 31 118.268 118.268 119.168 -0.900 18221 3864 1 8 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.103 0.038 18221 3865 1 8 . 1 1 40 40 LEU C C 31 179.271 179.271 178.685 0.586 18221 3866 1 8 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.542 -0.464 18221 3867 1 8 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.345 -0.443 18221 3868 1 8 . 1 1 40 40 LEU H H 31 8.326 8.326 8.083 0.243 18221 3869 1 8 . 1 1 41 41 SER N N 32 114.984 114.984 114.308 0.676 18221 3870 1 8 . 1 1 41 41 SER HA H 32 3.952 3.952 4.088 -0.136 18221 3871 1 8 . 1 1 41 41 SER C C 32 176.284 176.284 176.753 -0.469 18221 3872 1 8 . 1 1 41 41 SER CA C 32 60.885 60.885 61.209 -0.324 18221 3873 1 8 . 1 1 41 41 SER CB C 32 62.410 62.410 63.098 -0.688 18221 3874 1 8 . 1 1 41 41 SER H H 32 8.062 8.062 8.197 -0.135 18221 3875 1 8 . 1 1 42 42 ALA N N 33 124.588 124.588 124.817 -0.229 18221 3876 1 8 . 1 1 42 42 ALA HA H 33 4.225 4.225 3.994 0.231 18221 3877 1 8 . 1 1 42 42 ALA C C 33 179.033 179.033 179.475 -0.442 18221 3878 1 8 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.604 -0.891 18221 3879 1 8 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.515 -0.586 18221 3880 1 8 . 1 1 42 42 ALA H H 33 7.813 7.813 8.368 -0.555 18221 3881 1 8 . 1 1 43 43 MET N N 34 116.808 116.808 117.365 -0.557 18221 3882 1 8 . 1 1 43 43 MET HA H 34 4.285 4.285 4.397 -0.112 18221 3883 1 8 . 1 1 43 43 MET C C 34 176.807 176.807 175.453 1.354 18221 3884 1 8 . 1 1 43 43 MET CA C 34 56.576 56.576 54.744 1.832 18221 3885 1 8 . 1 1 43 43 MET CB C 34 32.435 32.435 31.059 1.376 18221 3886 1 8 . 1 1 43 43 MET H H 34 7.691 7.691 7.799 -0.108 18221 3887 1 8 . 1 1 44 44 GLY N N 35 107.020 107.020 108.555 -1.535 18221 3888 1 8 . 1 1 44 44 GLY C C 35 174.493 174.493 173.894 0.599 18221 3889 1 8 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.710 -0.645 18221 3890 1 8 . 1 1 44 44 GLY H H 35 7.793 7.793 7.873 -0.080 18221 3891 1 8 . 1 1 45 45 PHE N N 36 120.285 120.285 121.160 -0.875 18221 3892 1 8 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.606 -0.099 18221 3893 1 8 . 1 1 45 45 PHE C C 36 176.876 176.876 174.281 2.595 18221 3894 1 8 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.388 0.549 18221 3895 1 8 . 1 1 45 45 PHE CB C 36 38.178 38.178 40.044 -1.865 18221 3896 1 8 . 1 1 45 45 PHE H H 36 8.215 8.215 8.015 0.200 18221 3897 1 8 . 1 1 46 46 THR N N 37 114.008 114.008 114.990 -0.982 18221 3898 1 8 . 1 1 46 46 THR HA H 37 4.080 4.080 4.072 0.008 18221 3899 1 8 . 1 1 46 46 THR C C 37 175.751 175.751 173.955 1.796 18221 3900 1 8 . 1 1 46 46 THR CA C 37 64.220 64.220 63.434 0.785 18221 3901 1 8 . 1 1 46 46 THR CB C 37 68.514 68.514 69.157 -0.643 18221 3902 1 8 . 1 1 46 46 THR H H 37 8.111 8.111 7.946 0.165 18221 3903 1 8 . 1 1 47 47 SER N N 38 116.646 116.646 116.292 0.354 18221 3904 1 8 . 1 1 47 47 SER HA H 38 3.918 3.918 4.659 -0.741 18221 3905 1 8 . 1 1 47 47 SER C C 38 176.744 176.744 174.513 2.231 18221 3906 1 8 . 1 1 47 47 SER CA C 38 59.911 59.911 58.884 1.027 18221 3907 1 8 . 1 1 47 47 SER CB C 38 62.624 62.624 64.762 -2.138 18221 3908 1 8 . 1 1 47 47 SER H H 38 8.079 8.079 8.425 -0.346 18221 3909 1 8 . 1 1 48 48 VAL N N 39 121.929 121.929 119.977 1.952 18221 3910 1 8 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.694 0.215 18221 3911 1 8 . 1 1 48 48 VAL C C 39 177.033 177.033 176.747 0.286 18221 3912 1 8 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.175 0.813 18221 3913 1 8 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.637 0.030 18221 3914 1 8 . 1 1 48 48 VAL H H 39 7.985 7.985 7.974 0.011 18221 3915 1 8 . 1 1 49 49 GLY N N 40 108.633 108.633 107.152 1.481 18221 3916 1 8 . 1 1 49 49 GLY C C 40 176.038 176.038 176.324 -0.286 18221 3917 1 8 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.630 -0.765 18221 3918 1 8 . 1 1 49 49 GLY H H 40 8.267 8.267 8.668 -0.401 18221 3919 1 8 . 1 1 50 50 ILE N N 41 122.466 122.466 122.360 0.106 18221 3920 1 8 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.587 0.284 18221 3921 1 8 . 1 1 50 50 ILE C C 41 178.363 178.363 177.780 0.583 18221 3922 1 8 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.761 -1.246 18221 3923 1 8 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.730 -0.492 18221 3924 1 8 . 1 1 50 50 ILE H H 41 7.865 7.865 7.708 0.157 18221 3925 1 8 . 1 1 51 51 ALA N N 42 125.064 125.064 121.966 3.098 18221 3926 1 8 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.906 0.193 18221 3927 1 8 . 1 1 51 51 ALA C C 42 179.385 179.385 179.112 0.273 18221 3928 1 8 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.055 -0.575 18221 3929 1 8 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.069 -0.582 18221 3930 1 8 . 1 1 51 51 ALA H H 42 7.930 7.930 7.898 0.032 18221 3931 1 8 . 1 1 52 52 ALA N N 43 120.594 120.594 120.209 0.385 18221 3932 1 8 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.020 -0.083 18221 3933 1 8 . 1 1 52 52 ALA C C 43 179.088 179.088 179.892 -0.804 18221 3934 1 8 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.861 0.239 18221 3935 1 8 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.011 -0.376 18221 3936 1 8 . 1 1 52 52 ALA H H 43 8.639 8.639 8.171 0.468 18221 3937 1 8 . 1 1 53 53 SER N N 44 113.012 113.012 115.137 -2.125 18221 3938 1 8 . 1 1 53 53 SER HA H 44 3.966 3.966 4.194 -0.228 18221 3939 1 8 . 1 1 53 53 SER C C 44 176.898 176.898 176.578 0.320 18221 3940 1 8 . 1 1 53 53 SER CA C 44 61.139 61.139 62.269 -1.130 18221 3941 1 8 . 1 1 53 53 SER CB C 44 62.347 62.347 63.106 -0.759 18221 3942 1 8 . 1 1 53 53 SER H H 44 8.193 8.193 8.195 -0.002 18221 3943 1 8 . 1 1 54 54 SER N N 45 118.714 118.714 117.685 1.029 18221 3944 1 8 . 1 1 54 54 SER HA H 45 3.975 3.975 4.159 -0.184 18221 3945 1 8 . 1 1 54 54 SER C C 45 177.131 177.131 176.624 0.507 18221 3946 1 8 . 1 1 54 54 SER CA C 45 61.210 61.210 61.570 -0.360 18221 3947 1 8 . 1 1 54 54 SER CB C 45 62.255 62.255 62.832 -0.577 18221 3948 1 8 . 1 1 54 54 SER H H 45 7.944 7.944 8.106 -0.162 18221 3949 1 8 . 1 1 55 55 ILE N N 46 122.912 122.912 120.811 2.101 18221 3950 1 8 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.793 -0.036 18221 3951 1 8 . 1 1 55 55 ILE C C 46 177.813 177.813 177.743 0.070 18221 3952 1 8 . 1 1 55 55 ILE CA C 46 64.191 64.191 63.663 0.528 18221 3953 1 8 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.024 -0.098 18221 3954 1 8 . 1 1 55 55 ILE H H 46 8.028 8.028 8.040 -0.012 18221 3955 1 8 . 1 1 56 56 ALA N N 47 122.990 122.990 122.826 0.164 18221 3956 1 8 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.976 -0.020 18221 3957 1 8 . 1 1 56 56 ALA C C 47 180.294 180.294 179.186 1.108 18221 3958 1 8 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.364 -0.026 18221 3959 1 8 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.729 -1.027 18221 3960 1 8 . 1 1 56 56 ALA H H 47 8.333 8.333 7.902 0.431 18221 3961 1 8 . 1 1 57 57 ALA N N 48 121.988 121.988 122.028 -0.040 18221 3962 1 8 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.920 0.148 18221 3963 1 8 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.414 1.007 18221 3964 1 8 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.052 -1.350 18221 3965 1 8 . 1 1 57 57 ALA H H 48 7.879 7.879 8.143 -0.264 18221 3966 1 8 . 1 1 58 58 LYS N N 49 119.094 119.094 116.335 2.759 18221 3967 1 8 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.912 0.234 18221 3968 1 8 . 1 1 58 58 LYS C C 49 179.649 179.649 175.340 4.309 18221 3969 1 8 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.976 0.181 18221 3970 1 8 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.683 0.647 18221 3971 1 8 . 1 1 58 58 LYS H H 49 7.727 7.727 7.855 -0.128 18221 3972 1 8 . 1 1 59 59 MET N N 50 120.498 120.498 119.304 1.194 18221 3973 1 8 . 1 1 59 59 MET HA H 50 4.156 4.156 4.599 -0.443 18221 3974 1 8 . 1 1 59 59 MET C C 50 177.949 177.949 175.220 2.729 18221 3975 1 8 . 1 1 59 59 MET CA C 50 57.136 57.136 54.602 2.534 18221 3976 1 8 . 1 1 59 59 MET CB C 50 31.922 31.922 35.528 -3.606 18221 3977 1 8 . 1 1 59 59 MET H H 50 8.395 8.395 8.209 0.186 18221 3978 1 8 . 1 1 60 60 MET N N 51 117.689 117.689 122.939 -5.250 18221 3979 1 8 . 1 1 60 60 MET HA H 51 4.222 4.222 4.570 -0.348 18221 3980 1 8 . 1 1 60 60 MET C C 51 177.674 177.674 175.586 2.088 18221 3981 1 8 . 1 1 60 60 MET CA C 51 57.638 57.638 55.352 2.286 18221 3982 1 8 . 1 1 60 60 MET CB C 51 31.785 31.785 30.854 0.931 18221 3983 1 8 . 1 1 60 60 MET H H 51 8.234 8.234 8.644 -0.410 18221 3984 1 8 . 1 1 61 61 SER N N 52 114.385 114.385 118.986 -4.601 18221 3985 1 8 . 1 1 61 61 SER HA H 52 4.001 4.001 4.436 -0.435 18221 3986 1 8 . 1 1 61 61 SER C C 52 176.079 176.079 174.893 1.186 18221 3987 1 8 . 1 1 61 61 SER CA C 52 59.911 59.911 59.639 0.272 18221 3988 1 8 . 1 1 61 61 SER CB C 52 62.624 62.624 63.807 -1.183 18221 3989 1 8 . 1 1 61 61 SER H H 52 7.893 7.893 8.339 -0.446 18221 3990 1 8 . 1 1 62 62 THR N N 53 117.304 117.304 119.247 -1.943 18221 3991 1 8 . 1 1 62 62 THR HA H 53 4.104 4.104 4.240 -0.136 18221 3992 1 8 . 1 1 62 62 THR C C 53 175.436 175.436 173.895 1.541 18221 3993 1 8 . 1 1 62 62 THR CA C 53 64.220 64.220 63.315 0.905 18221 3994 1 8 . 1 1 62 62 THR CB C 53 68.514 68.514 68.814 -0.299 18221 3995 1 8 . 1 1 62 62 THR H H 53 7.794 7.794 8.072 -0.278 18221 3996 1 8 . 1 1 63 63 ALA N N 54 125.382 125.382 131.322 -5.940 18221 3997 1 8 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.243 -0.149 18221 3998 1 8 . 1 1 63 63 ALA C C 54 178.328 178.328 176.375 1.953 18221 3999 1 8 . 1 1 63 63 ALA CA C 54 54.096 54.096 51.978 2.118 18221 4000 1 8 . 1 1 63 63 ALA CB C 54 17.708 17.708 17.744 -0.036 18221 4001 1 8 . 1 1 63 63 ALA H H 54 8.204 8.204 8.719 -0.515 18221 4002 1 8 . 1 1 64 64 ALA N N 55 119.929 119.929 126.868 -6.939 18221 4003 1 8 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.662 -0.537 18221 4004 1 8 . 1 1 64 64 ALA C C 55 179.183 179.183 176.645 2.538 18221 4005 1 8 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.007 2.030 18221 4006 1 8 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.710 -2.002 18221 4007 1 8 . 1 1 64 64 ALA H H 55 7.951 7.951 8.003 -0.052 18221 4008 1 8 . 1 1 65 65 ILE N N 56 117.016 117.016 122.097 -5.081 18221 4009 1 8 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.162 -0.212 18221 4010 1 8 . 1 1 65 65 ILE C C 56 177.222 177.222 175.265 1.957 18221 4011 1 8 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.462 0.722 18221 4012 1 8 . 1 1 65 65 ILE CB C 56 37.073 37.073 36.827 0.246 18221 4013 1 8 . 1 1 65 65 ILE H H 56 7.561 7.561 8.354 -0.793 18221 4014 1 8 . 1 1 66 66 ALA N N 57 124.191 124.191 130.245 -6.054 18221 4015 1 8 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.366 -0.189 18221 4016 1 8 . 1 1 66 66 ALA C C 57 178.190 178.190 176.275 1.915 18221 4017 1 8 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.229 1.307 18221 4018 1 8 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.881 -1.952 18221 4019 1 8 . 1 1 66 66 ALA H H 57 7.982 7.982 8.101 -0.119 18221 4020 1 8 . 1 1 67 67 ASN N N 58 116.132 116.132 120.308 -4.176 18221 4021 1 8 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.490 0.183 18221 4022 1 8 . 1 1 67 67 ASN C C 58 176.344 176.344 173.974 2.370 18221 4023 1 8 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.360 0.117 18221 4024 1 8 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.437 0.035 18221 4025 1 8 . 1 1 67 67 ASN H H 58 8.113 8.113 8.673 -0.560 18221 4026 1 8 . 1 1 68 68 GLY N N 59 108.808 108.808 109.431 -0.623 18221 4027 1 8 . 1 1 68 68 GLY C C 59 174.958 174.958 172.782 2.176 18221 4028 1 8 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.987 0.668 18221 4029 1 8 . 1 1 68 68 GLY H H 59 8.152 8.152 8.008 0.144 18221 4030 1 8 . 1 1 69 69 GLY N N 60 108.832 108.832 109.702 -0.870 18221 4031 1 8 . 1 1 69 69 GLY C C 60 174.631 174.631 174.517 0.114 18221 4032 1 8 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.761 -0.342 18221 4033 1 8 . 1 1 69 69 GLY H H 60 8.218 8.218 8.655 -0.437 18221 4034 1 8 . 1 1 70 70 GLY N N 61 108.966 108.966 112.968 -4.002 18221 4035 1 8 . 1 1 70 70 GLY C C 61 174.594 174.594 174.193 0.401 18221 4036 1 8 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.438 0.922 18221 4037 1 8 . 1 1 70 70 GLY H H 61 8.175 8.175 7.939 0.236 18221 4038 1 8 . 1 1 71 71 VAL N N 62 120.209 120.209 118.846 1.363 18221 4039 1 8 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.035 -0.029 18221 4040 1 8 . 1 1 71 71 VAL C C 62 176.077 176.077 176.403 -0.326 18221 4041 1 8 . 1 1 71 71 VAL CA C 62 62.390 62.390 61.881 0.509 18221 4042 1 8 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.211 -0.513 18221 4043 1 8 . 1 1 71 71 VAL H H 62 7.882 7.882 8.121 -0.239 18221 4044 1 8 . 1 1 72 72 ALA N N 63 126.966 126.966 121.965 5.001 18221 4045 1 8 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.056 -0.030 18221 4046 1 8 . 1 1 72 72 ALA C C 63 178.064 178.064 175.961 2.103 18221 4047 1 8 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.816 -0.313 18221 4048 1 8 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.935 0.290 18221 4049 1 8 . 1 1 72 72 ALA H H 63 8.237 8.237 8.325 -0.088 18221 4050 1 8 . 1 1 73 73 ALA N N 64 123.432 123.432 125.016 -1.584 18221 4051 1 8 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.500 -0.485 18221 4052 1 8 . 1 1 73 73 ALA C C 64 178.995 178.995 176.579 2.416 18221 4053 1 8 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.222 2.199 18221 4054 1 8 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.406 -2.403 18221 4055 1 8 . 1 1 73 73 ALA H H 64 8.421 8.421 8.256 0.165 18221 4056 1 8 . 1 1 74 74 GLY N N 65 105.577 105.577 111.202 -5.625 18221 4057 1 8 . 1 1 74 74 GLY C C 65 176.367 176.367 174.501 1.866 18221 4058 1 8 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.979 1.265 18221 4059 1 8 . 1 1 74 74 GLY H H 65 8.448 8.448 7.691 0.757 18221 4060 1 8 . 1 1 75 75 SER N N 66 117.656 117.656 116.617 1.039 18221 4061 1 8 . 1 1 75 75 SER HA H 66 4.394 4.394 4.250 0.144 18221 4062 1 8 . 1 1 75 75 SER C C 66 176.329 176.329 176.324 0.005 18221 4063 1 8 . 1 1 75 75 SER CA C 66 60.236 60.236 60.503 -0.267 18221 4064 1 8 . 1 1 75 75 SER CB C 66 62.476 62.476 63.160 -0.684 18221 4065 1 8 . 1 1 75 75 SER H H 66 7.899 7.899 8.692 -0.793 18221 4066 1 8 . 1 1 76 76 LEU N N 67 122.743 122.743 121.206 1.537 18221 4067 1 8 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.985 0.065 18221 4068 1 8 . 1 1 76 76 LEU C C 67 178.442 178.442 178.489 -0.047 18221 4069 1 8 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.200 -0.680 18221 4070 1 8 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.845 -1.164 18221 4071 1 8 . 1 1 76 76 LEU H H 67 7.955 7.955 8.035 -0.080 18221 4072 1 8 . 1 1 77 77 VAL N N 68 118.400 118.400 117.784 0.616 18221 4073 1 8 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.540 -0.069 18221 4074 1 8 . 1 1 77 77 VAL C C 68 177.297 177.297 177.409 -0.112 18221 4075 1 8 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.436 1.234 18221 4076 1 8 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.092 0.428 18221 4077 1 8 . 1 1 77 77 VAL H H 68 8.039 8.039 8.275 -0.236 18221 4078 1 8 . 1 1 78 78 ALA N N 69 121.927 121.927 123.040 -1.113 18221 4079 1 8 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.960 0.245 18221 4080 1 8 . 1 1 78 78 ALA C C 69 181.258 181.258 179.469 1.789 18221 4081 1 8 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.338 -0.356 18221 4082 1 8 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.346 -0.932 18221 4083 1 8 . 1 1 78 78 ALA H H 69 7.631 7.631 8.231 -0.600 18221 4084 1 8 . 1 1 79 79 ILE N N 70 119.782 119.782 117.435 2.347 18221 4085 1 8 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.908 -0.112 18221 4086 1 8 . 1 1 79 79 ILE C C 70 178.253 178.253 177.681 0.572 18221 4087 1 8 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.261 1.091 18221 4088 1 8 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.704 -0.631 18221 4089 1 8 . 1 1 79 79 ILE H H 70 7.841 7.841 7.702 0.139 18221 4090 1 8 . 1 1 80 80 LEU N N 71 120.841 120.841 122.418 -1.577 18221 4091 1 8 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.796 0.141 18221 4092 1 8 . 1 1 80 80 LEU C C 71 179.234 179.234 178.606 0.628 18221 4093 1 8 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.867 -1.022 18221 4094 1 8 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.681 -1.661 18221 4095 1 8 . 1 1 80 80 LEU H H 71 8.190 8.190 8.326 -0.136 18221 4096 1 8 . 1 1 81 81 GLN N N 72 117.558 117.558 117.000 0.558 18221 4097 1 8 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.977 -0.008 18221 4098 1 8 . 1 1 81 81 GLN C C 72 178.530 178.530 178.605 -0.075 18221 4099 1 8 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.886 -0.067 18221 4100 1 8 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.786 -1.506 18221 4101 1 8 . 1 1 81 81 GLN H H 72 8.489 8.489 8.187 0.302 18221 4102 1 8 . 1 1 82 82 SER N N 73 116.103 116.103 115.737 0.366 18221 4103 1 8 . 1 1 82 82 SER HA H 73 4.233 4.233 4.082 0.151 18221 4104 1 8 . 1 1 82 82 SER C C 73 177.243 177.243 176.668 0.575 18221 4105 1 8 . 1 1 82 82 SER CA C 73 61.044 61.044 62.008 -0.964 18221 4106 1 8 . 1 1 82 82 SER CB C 73 62.257 62.257 63.171 -0.914 18221 4107 1 8 . 1 1 82 82 SER H H 73 7.855 7.855 8.295 -0.440 18221 4108 1 8 . 1 1 83 83 VAL N N 74 120.362 120.362 120.886 -0.524 18221 4109 1 8 . 1 1 83 83 VAL C C 74 177.979 177.979 177.608 0.371 18221 4110 1 8 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.889 -0.783 18221 4111 1 8 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.444 -0.703 18221 4112 1 8 . 1 1 83 83 VAL H H 74 8.030 8.030 8.147 -0.117 18221 4113 1 8 . 1 1 84 84 GLY N N 75 108.223 108.223 107.604 0.619 18221 4114 1 8 . 1 1 84 84 GLY C C 75 174.913 174.913 175.613 -0.700 18221 4115 1 8 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.167 -0.390 18221 4116 1 8 . 1 1 84 84 GLY H H 75 8.369 8.369 7.845 0.524 18221 4117 1 8 . 1 1 85 85 ALA N N 76 123.550 123.550 124.424 -0.874 18221 4118 1 8 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.115 -0.021 18221 4119 1 8 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.805 -0.207 18221 4120 1 8 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.317 -0.694 18221 4121 1 8 . 1 1 85 85 ALA H H 76 8.115 8.115 8.360 -0.245 18221 4122 1 8 . 1 1 86 86 ALA N N 77 120.410 120.410 120.873 -0.463 18221 4123 1 8 . 1 1 86 86 ALA C C 77 178.988 178.988 179.537 -0.549 18221 4124 1 8 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.382 -0.546 18221 4125 1 8 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.877 -0.367 18221 4126 1 8 . 1 1 86 86 ALA H H 77 8.632 8.632 8.248 0.384 18221 4127 1 8 . 1 1 87 87 GLY N N 78 105.706 105.706 107.038 -1.332 18221 4128 1 8 . 1 1 87 87 GLY C C 78 175.939 175.939 176.020 -0.081 18221 4129 1 8 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.886 -0.768 18221 4130 1 8 . 1 1 87 87 GLY H H 78 8.196 8.196 7.733 0.463 18221 4131 1 8 . 1 1 88 88 LEU N N 79 124.128 124.128 121.587 2.541 18221 4132 1 8 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.389 0.013 18221 4133 1 8 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.834 -1.448 18221 4134 1 8 . 1 1 88 88 LEU H H 79 8.449 8.449 7.938 0.511 18221 4135 1 8 . 1 1 89 89 SER N N 80 116.251 116.251 114.828 1.423 18221 4136 1 8 . 1 1 89 89 SER C C 80 179.153 179.153 176.475 2.678 18221 4137 1 8 . 1 1 89 89 SER CA C 80 61.023 61.023 61.934 -0.911 18221 4138 1 8 . 1 1 89 89 SER CB C 80 62.255 62.255 63.157 -0.902 18221 4139 1 8 . 1 1 89 89 SER H H 80 8.120 8.120 8.127 -0.007 18221 4140 1 8 . 1 1 90 90 VAL N N 81 119.310 119.310 121.736 -2.426 18221 4141 1 8 . 1 1 90 90 VAL C C 81 177.652 177.652 178.011 -0.359 18221 4142 1 8 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.439 -0.363 18221 4143 1 8 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.607 -0.277 18221 4144 1 8 . 1 1 90 90 VAL H H 81 7.955 7.955 8.117 -0.162 18221 4145 1 8 . 1 1 91 91 THR N N 82 115.535 115.535 116.272 -0.737 18221 4146 1 8 . 1 1 91 91 THR C C 82 176.571 176.571 176.725 -0.154 18221 4147 1 8 . 1 1 91 91 THR CA C 82 66.434 66.434 66.938 -0.504 18221 4148 1 8 . 1 1 91 91 THR CB C 82 67.742 67.742 68.311 -0.569 18221 4149 1 8 . 1 1 91 91 THR H H 82 7.888 7.888 8.502 -0.614 18221 4150 1 8 . 1 1 92 92 SER N N 83 116.537 116.537 117.575 -1.038 18221 4151 1 8 . 1 1 92 92 SER HA H 83 4.040 4.040 4.056 -0.016 18221 4152 1 8 . 1 1 92 92 SER C C 83 176.761 176.761 176.645 0.116 18221 4153 1 8 . 1 1 92 92 SER CA C 83 61.564 61.564 61.709 -0.145 18221 4154 1 8 . 1 1 92 92 SER CB C 83 62.009 62.009 62.783 -0.774 18221 4155 1 8 . 1 1 92 92 SER H H 83 8.212 8.212 8.155 0.057 18221 4156 1 8 . 1 1 93 93 LYS N N 84 122.353 122.353 120.373 1.980 18221 4157 1 8 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.958 0.161 18221 4158 1 8 . 1 1 93 93 LYS C C 84 172.812 172.812 179.234 -6.422 18221 4159 1 8 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.326 -0.891 18221 4160 1 8 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.374 -0.897 18221 4161 1 8 . 1 1 93 93 LYS H H 84 7.642 7.642 8.307 -0.665 18221 4162 1 8 . 1 1 94 94 VAL N N 85 119.348 119.348 118.940 0.408 18221 4163 1 8 . 1 1 94 94 VAL C C 85 177.948 177.948 177.817 0.131 18221 4164 1 8 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.056 0.333 18221 4165 1 8 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.612 0.234 18221 4166 1 8 . 1 1 94 94 VAL H H 85 8.414 8.414 7.550 0.864 18221 4167 1 8 . 1 1 95 95 ILE N N 86 118.769 118.769 117.953 0.816 18221 4168 1 8 . 1 1 95 95 ILE C C 86 177.972 177.972 176.471 1.501 18221 4169 1 8 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.555 0.282 18221 4170 1 8 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.876 -2.244 18221 4171 1 8 . 1 1 95 95 ILE H H 86 8.169 8.169 7.822 0.347 18221 4172 1 8 . 1 1 96 96 GLY N N 87 107.955 107.955 105.563 2.392 18221 4173 1 8 . 1 1 96 96 GLY C C 87 176.571 176.571 174.060 2.511 18221 4174 1 8 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.461 2.050 18221 4175 1 8 . 1 1 96 96 GLY H H 87 8.182 8.182 8.291 -0.109 18221 4176 1 8 . 1 1 97 97 GLY N N 88 109.117 109.117 109.962 -0.845 18221 4177 1 8 . 1 1 97 97 GLY C C 88 175.524 175.524 174.059 1.465 18221 4178 1 8 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.565 0.268 18221 4179 1 8 . 1 1 97 97 GLY H H 88 7.953 7.953 8.025 -0.072 18221 4180 1 8 . 1 1 98 98 PHE N N 89 121.100 121.100 122.839 -1.739 18221 4181 1 8 . 1 1 98 98 PHE C C 89 176.367 176.367 174.510 1.857 18221 4182 1 8 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.399 -0.499 18221 4183 1 8 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.334 -0.502 18221 4184 1 8 . 1 1 98 98 PHE H H 89 8.000 8.000 8.359 -0.359 18221 4185 1 8 . 1 1 99 99 ALA N N 90 122.834 122.834 127.662 -4.828 18221 4186 1 8 . 1 1 99 99 ALA C C 90 178.348 178.348 176.302 2.046 18221 4187 1 8 . 1 1 99 99 ALA CA C 90 55.277 55.277 50.634 4.643 18221 4188 1 8 . 1 1 99 99 ALA CB C 90 17.414 17.414 21.622 -4.208 18221 4189 1 8 . 1 1 99 99 ALA H H 90 8.322 8.322 7.912 0.410 18221 4190 1 8 . 1 1 100 100 GLY N N 91 106.688 106.688 108.360 -1.672 18221 4191 1 8 . 1 1 100 100 GLY C C 91 175.878 175.878 175.124 0.754 18221 4192 1 8 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.043 -0.417 18221 4193 1 8 . 1 1 100 100 GLY H H 91 8.000 8.000 8.483 -0.483 18221 4194 1 8 . 1 1 101 101 THR N N 92 115.689 115.689 116.145 -0.456 18221 4195 1 8 . 1 1 101 101 THR C C 92 178.476 178.476 173.729 4.747 18221 4196 1 8 . 1 1 101 101 THR CA C 92 63.364 63.364 62.896 0.468 18221 4197 1 8 . 1 1 101 101 THR CB C 92 69.619 69.619 69.271 0.348 18221 4198 1 8 . 1 1 101 101 THR H H 92 7.754 7.754 7.707 0.047 18221 4199 1 8 . 1 1 102 102 ALA N N 93 124.835 124.835 127.667 -2.832 18221 4200 1 8 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.647 1.664 18221 4201 1 8 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.994 -1.315 18221 4202 1 8 . 1 1 102 102 ALA H H 93 7.919 7.919 8.130 -0.211 18221 4203 1 8 . 1 1 103 103 LEU N N 94 117.445 117.445 118.971 -1.526 18221 4204 1 8 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.693 2.089 18221 4205 1 8 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.108 -1.206 18221 4206 1 8 . 1 1 103 103 LEU H H 94 8.037 8.037 8.441 -0.404 18221 4207 1 8 . 1 1 104 104 GLY N N 95 106.296 106.296 110.979 -4.683 18221 4208 1 8 . 1 1 104 104 GLY C C 95 175.851 175.851 174.694 1.157 18221 4209 1 8 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.250 2.320 18221 4210 1 8 . 1 1 104 104 GLY H H 95 7.900 7.900 8.472 -0.572 18221 4211 1 8 . 1 1 105 105 ALA N N 96 123.872 123.872 126.389 -2.517 18221 4212 1 8 . 1 1 105 105 ALA CA C 96 54.126 54.126 53.524 0.602 18221 4213 1 8 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.606 -1.019 18221 4214 1 8 . 1 1 105 105 ALA H H 96 7.804 7.804 8.589 -0.785 18221 4215 1 8 . 1 1 106 106 TRP N N 97 120.348 120.348 117.508 2.840 18221 4216 1 8 . 1 1 106 106 TRP C C 97 176.857 176.857 173.882 2.975 18221 4217 1 8 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.956 0.944 18221 4218 1 8 . 1 1 106 106 TRP H H 97 8.385 8.385 8.125 0.260 18221 4219 1 8 . 1 1 107 107 LEU N N 98 117.756 117.756 123.648 -5.892 18221 4220 1 8 . 1 1 107 107 LEU C C 98 177.659 177.659 175.665 1.994 18221 4221 1 8 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.034 0.069 18221 4222 1 8 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.179 -0.761 18221 4223 1 8 . 1 1 107 107 LEU H H 98 7.880 7.880 8.278 -0.398 18221 4224 1 8 . 1 1 108 108 GLY N N 99 107.285 107.285 110.317 -3.032 18221 4225 1 8 . 1 1 108 108 GLY C C 99 173.815 173.815 173.042 0.773 18221 4226 1 8 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.704 0.243 18221 4227 1 8 . 1 1 108 108 GLY H H 99 7.694 7.694 7.753 -0.059 18221 4228 1 8 . 1 1 109 109 SER N N 100 117.139 117.139 116.873 0.266 18221 4229 1 8 . 1 1 109 109 SER C C 100 172.179 172.179 172.278 -0.099 18221 4230 1 8 . 1 1 109 109 SER CA C 100 56.015 56.015 58.639 -2.624 18221 4231 1 8 . 1 1 109 109 SER CB C 100 62.771 62.771 63.133 -0.361 18221 4232 1 8 . 1 1 109 109 SER H H 100 8.030 8.030 8.311 -0.281 18221 4233 1 8 . 1 1 111 111 PRO C C 102 177.073 177.073 176.697 0.376 18221 4234 1 8 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.604 -1.405 18221 4235 1 8 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.464 -1.253 18221 4236 1 8 . 1 1 112 112 SER N N 103 117.115 117.115 112.747 4.368 18221 4237 1 8 . 1 1 112 112 SER C C 103 173.898 173.898 173.264 0.634 18221 4238 1 8 . 1 1 112 112 SER CA C 103 57.904 57.904 57.901 0.003 18221 4239 1 8 . 1 1 112 112 SER CB C 103 63.360 63.360 63.726 -0.366 18221 4240 1 8 . 1 1 112 112 SER H H 103 8.345 8.345 8.063 0.282 18221 4241 1 9 . 1 1 11 11 GLY N N 2 109.366 109.366 108.879 0.487 18221 4242 1 9 . 1 1 11 11 GLY C C 2 174.543 174.543 174.002 0.541 18221 4243 1 9 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.791 0.904 18221 4244 1 9 . 1 1 11 11 GLY H H 2 8.271 8.271 8.041 0.230 18221 4245 1 9 . 1 1 12 12 LYS N N 3 121.129 121.129 123.597 -2.468 18221 4246 1 9 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.284 -0.152 18221 4247 1 9 . 1 1 12 12 LYS C C 3 177.234 177.234 175.345 1.889 18221 4248 1 9 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.168 0.644 18221 4249 1 9 . 1 1 12 12 LYS CB C 3 31.846 31.846 31.714 0.132 18221 4250 1 9 . 1 1 12 12 LYS H H 3 8.057 8.057 8.469 -0.412 18221 4251 1 9 . 1 1 13 13 GLU N N 4 120.318 120.318 122.574 -2.256 18221 4252 1 9 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.399 -0.244 18221 4253 1 9 . 1 1 13 13 GLU C C 4 176.857 176.857 175.818 1.039 18221 4254 1 9 . 1 1 13 13 GLU CA C 4 56.871 56.871 55.823 1.048 18221 4255 1 9 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.772 -1.384 18221 4256 1 9 . 1 1 13 13 GLU H H 4 8.398 8.398 8.012 0.386 18221 4257 1 9 . 1 1 14 14 SER N N 5 115.504 115.504 122.619 -7.115 18221 4258 1 9 . 1 1 14 14 SER HA H 5 3.843 3.843 4.642 -0.799 18221 4259 1 9 . 1 1 14 14 SER C C 5 175.337 175.337 174.511 0.826 18221 4260 1 9 . 1 1 14 14 SER CA C 5 58.524 58.524 57.551 0.973 18221 4261 1 9 . 1 1 14 14 SER CB C 5 63.360 63.360 62.596 0.764 18221 4262 1 9 . 1 1 14 14 SER H H 5 8.089 8.089 8.675 -0.586 18221 4263 1 9 . 1 1 15 15 GLY N N 6 110.761 110.761 114.562 -3.801 18221 4264 1 9 . 1 1 15 15 GLY C C 6 174.581 174.581 173.428 1.153 18221 4265 1 9 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.075 0.491 18221 4266 1 9 . 1 1 15 15 GLY H H 6 8.197 8.197 8.291 -0.094 18221 4267 1 9 . 1 1 16 16 TRP N N 7 121.800 121.800 120.271 1.529 18221 4268 1 9 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.737 -0.177 18221 4269 1 9 . 1 1 16 16 TRP C C 7 176.920 176.920 173.837 3.083 18221 4270 1 9 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.107 1.974 18221 4271 1 9 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.328 -1.649 18221 4272 1 9 . 1 1 16 16 TRP H H 7 8.184 8.184 7.397 0.787 18221 4273 1 9 . 1 1 17 17 ASP N N 8 121.132 121.132 123.172 -2.040 18221 4274 1 9 . 1 1 17 17 ASP HA H 8 4.395 4.395 5.024 -0.629 18221 4275 1 9 . 1 1 17 17 ASP C C 8 176.941 176.941 174.896 2.045 18221 4276 1 9 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.397 1.847 18221 4277 1 9 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.948 -1.003 18221 4278 1 9 . 1 1 17 17 ASP H H 8 8.332 8.332 8.479 -0.147 18221 4279 1 9 . 1 1 18 18 SER N N 9 116.148 116.148 116.636 -0.488 18221 4280 1 9 . 1 1 18 18 SER HA H 9 3.861 3.861 4.635 -0.774 18221 4281 1 9 . 1 1 18 18 SER CA C 9 60.081 60.081 58.651 1.430 18221 4282 1 9 . 1 1 18 18 SER CB C 9 62.255 62.255 64.521 -2.266 18221 4283 1 9 . 1 1 18 18 SER H H 9 8.129 8.129 8.681 -0.552 18221 4284 1 9 . 1 1 19 19 GLY N N 10 110.747 110.747 113.663 -2.916 18221 4285 1 9 . 1 1 19 19 GLY C C 10 174.682 174.682 175.476 -0.794 18221 4286 1 9 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.783 0.817 18221 4287 1 9 . 1 1 19 19 GLY H H 10 8.216 8.216 8.605 -0.389 18221 4288 1 9 . 1 1 20 20 ARG N N 11 121.405 121.405 120.712 0.693 18221 4289 1 9 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.188 -0.331 18221 4290 1 9 . 1 1 20 20 ARG C C 11 178.328 178.328 178.814 -0.486 18221 4291 1 9 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.158 0.927 18221 4292 1 9 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.303 -1.256 18221 4293 1 9 . 1 1 20 20 ARG H H 11 8.158 8.158 8.443 -0.285 18221 4294 1 9 . 1 1 21 21 ALA N N 12 122.167 122.167 122.244 -0.077 18221 4295 1 9 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.056 0.044 18221 4296 1 9 . 1 1 21 21 ALA C C 12 180.129 180.129 179.373 0.756 18221 4297 1 9 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.606 -0.214 18221 4298 1 9 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.939 -0.525 18221 4299 1 9 . 1 1 21 21 ALA H H 12 7.963 7.963 8.427 -0.464 18221 4300 1 9 . 1 1 22 22 ALA N N 13 122.150 122.150 121.948 0.202 18221 4301 1 9 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.900 0.137 18221 4302 1 9 . 1 1 22 22 ALA C C 13 179.095 179.095 179.777 -0.682 18221 4303 1 9 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.826 -0.110 18221 4304 1 9 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.012 -0.451 18221 4305 1 9 . 1 1 22 22 ALA H H 13 7.881 7.881 8.132 -0.251 18221 4306 1 9 . 1 1 23 23 VAL N N 14 117.107 117.107 118.480 -1.373 18221 4307 1 9 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.529 -0.049 18221 4308 1 9 . 1 1 23 23 VAL C C 14 177.586 177.586 178.227 -0.641 18221 4309 1 9 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.509 0.689 18221 4310 1 9 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.567 -0.047 18221 4311 1 9 . 1 1 23 23 VAL H H 14 7.888 7.888 8.133 -0.245 18221 4312 1 9 . 1 1 24 24 ALA N N 15 121.333 121.333 121.993 -0.660 18221 4313 1 9 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.963 0.018 18221 4314 1 9 . 1 1 24 24 ALA C C 15 180.373 180.373 179.352 1.021 18221 4315 1 9 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.203 -0.192 18221 4316 1 9 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.864 -0.612 18221 4317 1 9 . 1 1 24 24 ALA H H 15 8.037 8.037 7.511 0.526 18221 4318 1 9 . 1 1 25 25 ALA N N 16 121.158 121.158 119.529 1.629 18221 4319 1 9 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.147 -0.001 18221 4320 1 9 . 1 1 25 25 ALA C C 16 179.828 179.828 178.791 1.037 18221 4321 1 9 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.631 -0.180 18221 4322 1 9 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.427 -0.940 18221 4323 1 9 . 1 1 25 25 ALA H H 16 7.819 7.819 7.832 -0.013 18221 4324 1 9 . 1 1 26 26 VAL N N 17 118.417 118.417 116.160 2.257 18221 4325 1 9 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.856 -0.078 18221 4326 1 9 . 1 1 26 26 VAL C C 17 178.020 178.020 177.247 0.773 18221 4327 1 9 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.807 1.770 18221 4328 1 9 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.742 -0.657 18221 4329 1 9 . 1 1 26 26 VAL H H 17 7.848 7.848 7.201 0.647 18221 4330 1 9 . 1 1 27 27 VAL N N 18 119.240 119.240 119.290 -0.050 18221 4331 1 9 . 1 1 27 27 VAL C C 18 177.719 177.719 177.008 0.711 18221 4332 1 9 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.012 1.979 18221 4333 1 9 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.610 -1.423 18221 4334 1 9 . 1 1 27 27 VAL H H 18 8.377 8.377 7.648 0.729 18221 4335 1 9 . 1 1 28 28 GLY N N 19 106.009 106.009 107.852 -1.843 18221 4336 1 9 . 1 1 28 28 GLY C C 19 176.212 176.212 174.572 1.640 18221 4337 1 9 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.543 -0.299 18221 4338 1 9 . 1 1 28 28 GLY H H 19 8.122 8.122 7.654 0.468 18221 4339 1 9 . 1 1 29 29 GLY N N 20 110.216 110.216 111.740 -1.524 18221 4340 1 9 . 1 1 29 29 GLY C C 20 174.097 174.097 174.958 -0.861 18221 4341 1 9 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.519 1.815 18221 4342 1 9 . 1 1 29 29 GLY H H 20 8.039 8.039 7.689 0.350 18221 4343 1 9 . 1 1 30 30 VAL N N 21 121.188 121.188 121.212 -0.024 18221 4344 1 9 . 1 1 30 30 VAL C C 21 177.073 177.073 177.722 -0.649 18221 4345 1 9 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.194 -3.620 18221 4346 1 9 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.971 -1.181 18221 4347 1 9 . 1 1 30 30 VAL H H 21 7.983 7.983 7.961 0.022 18221 4348 1 9 . 1 1 32 32 ALA N N 23 125.091 125.091 121.347 3.744 18221 4349 1 9 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.083 0.176 18221 4350 1 9 . 1 1 32 32 ALA C C 23 179.523 179.523 179.871 -0.348 18221 4351 1 9 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.091 -1.408 18221 4352 1 9 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.933 -1.550 18221 4353 1 9 . 1 1 32 32 ALA H H 23 8.036 8.036 8.137 -0.101 18221 4354 1 9 . 1 1 33 33 VAL N N 24 118.793 118.793 118.360 0.433 18221 4355 1 9 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.704 0.004 18221 4356 1 9 . 1 1 33 33 VAL C C 24 177.901 177.901 177.930 -0.029 18221 4357 1 9 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.457 -1.028 18221 4358 1 9 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.790 -0.472 18221 4359 1 9 . 1 1 33 33 VAL H H 24 8.195 8.195 7.986 0.209 18221 4360 1 9 . 1 1 34 34 GLY N N 25 108.367 108.367 107.366 1.001 18221 4361 1 9 . 1 1 34 34 GLY C C 25 175.424 175.424 175.919 -0.495 18221 4362 1 9 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.570 -0.236 18221 4363 1 9 . 1 1 34 34 GLY H H 25 8.651 8.651 8.244 0.407 18221 4364 1 9 . 1 1 35 35 THR N N 26 116.448 116.448 119.861 -3.413 18221 4365 1 9 . 1 1 35 35 THR C C 26 176.843 176.843 176.432 0.411 18221 4366 1 9 . 1 1 35 35 THR CA C 26 65.962 65.962 67.680 -1.718 18221 4367 1 9 . 1 1 35 35 THR CB C 26 68.414 68.414 68.811 -0.397 18221 4368 1 9 . 1 1 35 35 THR H H 26 7.975 7.975 8.268 -0.293 18221 4369 1 9 . 1 1 36 36 VAL N N 27 122.810 122.810 122.094 0.716 18221 4370 1 9 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.613 0.106 18221 4371 1 9 . 1 1 36 36 VAL C C 27 177.618 177.618 177.681 -0.063 18221 4372 1 9 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.209 -0.483 18221 4373 1 9 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.809 -1.142 18221 4374 1 9 . 1 1 36 36 VAL H H 27 7.559 7.559 8.051 -0.492 18221 4375 1 9 . 1 1 37 37 LEU N N 28 119.566 119.566 120.233 -0.667 18221 4376 1 9 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.917 0.036 18221 4377 1 9 . 1 1 37 37 LEU C C 28 179.666 179.666 179.281 0.385 18221 4378 1 9 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.129 -0.284 18221 4379 1 9 . 1 1 37 37 LEU CB C 28 40.166 40.166 40.537 -0.371 18221 4380 1 9 . 1 1 37 37 LEU H H 28 8.086 8.086 7.923 0.163 18221 4381 1 9 . 1 1 38 38 VAL N N 29 119.468 119.468 119.247 0.221 18221 4382 1 9 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.547 0.106 18221 4383 1 9 . 1 1 38 38 VAL C C 29 178.639 178.639 178.188 0.451 18221 4384 1 9 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.277 -0.804 18221 4385 1 9 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.628 -0.019 18221 4386 1 9 . 1 1 38 38 VAL H H 29 8.066 8.066 8.378 -0.312 18221 4387 1 9 . 1 1 39 39 ALA N N 30 124.255 124.255 120.199 4.056 18221 4388 1 9 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.132 0.033 18221 4389 1 9 . 1 1 39 39 ALA C C 30 180.303 180.303 178.784 1.519 18221 4390 1 9 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.799 0.035 18221 4391 1 9 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.473 -0.765 18221 4392 1 9 . 1 1 39 39 ALA H H 30 7.688 7.688 7.800 -0.112 18221 4393 1 9 . 1 1 40 40 LEU N N 31 118.268 118.268 119.050 -0.782 18221 4394 1 9 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.076 0.065 18221 4395 1 9 . 1 1 40 40 LEU C C 31 179.271 179.271 178.476 0.795 18221 4396 1 9 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.480 -0.402 18221 4397 1 9 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.165 -1.263 18221 4398 1 9 . 1 1 40 40 LEU H H 31 8.326 8.326 7.437 0.889 18221 4399 1 9 . 1 1 41 41 SER N N 32 114.984 114.984 113.239 1.745 18221 4400 1 9 . 1 1 41 41 SER HA H 32 3.952 3.952 4.314 -0.362 18221 4401 1 9 . 1 1 41 41 SER C C 32 176.284 176.284 175.596 0.688 18221 4402 1 9 . 1 1 41 41 SER CA C 32 60.885 60.885 60.840 0.045 18221 4403 1 9 . 1 1 41 41 SER CB C 32 62.410 62.410 63.797 -1.387 18221 4404 1 9 . 1 1 41 41 SER H H 32 8.062 8.062 8.056 0.006 18221 4405 1 9 . 1 1 42 42 ALA N N 33 124.588 124.588 123.081 1.507 18221 4406 1 9 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.236 -0.011 18221 4407 1 9 . 1 1 42 42 ALA C C 33 179.033 179.033 177.488 1.545 18221 4408 1 9 . 1 1 42 42 ALA CA C 33 53.713 53.713 53.028 0.685 18221 4409 1 9 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.271 -1.342 18221 4410 1 9 . 1 1 42 42 ALA H H 33 7.813 7.813 7.855 -0.042 18221 4411 1 9 . 1 1 43 43 MET N N 34 116.808 116.808 115.402 1.406 18221 4412 1 9 . 1 1 43 43 MET HA H 34 4.285 4.285 4.162 0.123 18221 4413 1 9 . 1 1 43 43 MET C C 34 176.807 176.807 176.450 0.357 18221 4414 1 9 . 1 1 43 43 MET CA C 34 56.576 56.576 57.469 -0.893 18221 4415 1 9 . 1 1 43 43 MET CB C 34 32.435 32.435 30.977 1.458 18221 4416 1 9 . 1 1 43 43 MET H H 34 7.691 7.691 8.943 -1.252 18221 4417 1 9 . 1 1 44 44 GLY N N 35 107.020 107.020 105.017 2.003 18221 4418 1 9 . 1 1 44 44 GLY C C 35 174.493 174.493 172.843 1.650 18221 4419 1 9 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.867 0.198 18221 4420 1 9 . 1 1 44 44 GLY H H 35 7.793 7.793 8.015 -0.222 18221 4421 1 9 . 1 1 45 45 PHE N N 36 120.285 120.285 121.857 -1.572 18221 4422 1 9 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.891 -0.384 18221 4423 1 9 . 1 1 45 45 PHE C C 36 176.876 176.876 174.363 2.513 18221 4424 1 9 . 1 1 45 45 PHE CA C 36 58.937 58.937 56.228 2.709 18221 4425 1 9 . 1 1 45 45 PHE CB C 36 38.178 38.178 41.504 -3.326 18221 4426 1 9 . 1 1 45 45 PHE H H 36 8.215 8.215 7.833 0.382 18221 4427 1 9 . 1 1 46 46 THR N N 37 114.008 114.008 113.709 0.299 18221 4428 1 9 . 1 1 46 46 THR HA H 37 4.080 4.080 4.317 -0.237 18221 4429 1 9 . 1 1 46 46 THR C C 37 175.751 175.751 174.317 1.434 18221 4430 1 9 . 1 1 46 46 THR CA C 37 64.220 64.220 61.988 2.232 18221 4431 1 9 . 1 1 46 46 THR CB C 37 68.514 68.514 69.977 -1.463 18221 4432 1 9 . 1 1 46 46 THR H H 37 8.111 8.111 8.153 -0.042 18221 4433 1 9 . 1 1 47 47 SER N N 38 116.646 116.646 116.123 0.523 18221 4434 1 9 . 1 1 47 47 SER HA H 38 3.918 3.918 4.579 -0.661 18221 4435 1 9 . 1 1 47 47 SER C C 38 176.744 176.744 174.405 2.339 18221 4436 1 9 . 1 1 47 47 SER CA C 38 59.911 59.911 58.498 1.413 18221 4437 1 9 . 1 1 47 47 SER CB C 38 62.624 62.624 63.262 -0.638 18221 4438 1 9 . 1 1 47 47 SER H H 38 8.079 8.079 8.322 -0.243 18221 4439 1 9 . 1 1 48 48 VAL N N 39 121.929 121.929 119.632 2.297 18221 4440 1 9 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.696 0.213 18221 4441 1 9 . 1 1 48 48 VAL C C 39 177.033 177.033 177.019 0.014 18221 4442 1 9 . 1 1 48 48 VAL CA C 39 64.988 64.988 63.942 1.046 18221 4443 1 9 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.426 0.241 18221 4444 1 9 . 1 1 48 48 VAL H H 39 7.985 7.985 7.985 0.000 18221 4445 1 9 . 1 1 49 49 GLY N N 40 108.633 108.633 107.485 1.148 18221 4446 1 9 . 1 1 49 49 GLY C C 40 176.038 176.038 176.391 -0.353 18221 4447 1 9 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.661 -0.796 18221 4448 1 9 . 1 1 49 49 GLY H H 40 8.267 8.267 8.687 -0.420 18221 4449 1 9 . 1 1 50 50 ILE N N 41 122.466 122.466 122.233 0.233 18221 4450 1 9 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.580 0.291 18221 4451 1 9 . 1 1 50 50 ILE C C 41 178.363 178.363 177.666 0.697 18221 4452 1 9 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.739 -1.224 18221 4453 1 9 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.716 -0.478 18221 4454 1 9 . 1 1 50 50 ILE H H 41 7.865 7.865 7.687 0.178 18221 4455 1 9 . 1 1 51 51 ALA N N 42 125.064 125.064 121.844 3.220 18221 4456 1 9 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.886 0.213 18221 4457 1 9 . 1 1 51 51 ALA C C 42 179.385 179.385 179.167 0.218 18221 4458 1 9 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.990 -0.510 18221 4459 1 9 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.054 -0.567 18221 4460 1 9 . 1 1 51 51 ALA H H 42 7.930 7.930 7.675 0.255 18221 4461 1 9 . 1 1 52 52 ALA N N 43 120.594 120.594 120.360 0.234 18221 4462 1 9 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.064 -0.127 18221 4463 1 9 . 1 1 52 52 ALA C C 43 179.088 179.088 179.956 -0.868 18221 4464 1 9 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.767 0.333 18221 4465 1 9 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.101 -0.466 18221 4466 1 9 . 1 1 52 52 ALA H H 43 8.639 8.639 8.179 0.460 18221 4467 1 9 . 1 1 53 53 SER N N 44 113.012 113.012 115.324 -2.312 18221 4468 1 9 . 1 1 53 53 SER HA H 44 3.966 3.966 4.255 -0.289 18221 4469 1 9 . 1 1 53 53 SER C C 44 176.898 176.898 176.679 0.219 18221 4470 1 9 . 1 1 53 53 SER CA C 44 61.139 61.139 61.117 0.022 18221 4471 1 9 . 1 1 53 53 SER CB C 44 62.347 62.347 62.689 -0.342 18221 4472 1 9 . 1 1 53 53 SER H H 44 8.193 8.193 8.207 -0.014 18221 4473 1 9 . 1 1 54 54 SER N N 45 118.714 118.714 118.178 0.536 18221 4474 1 9 . 1 1 54 54 SER HA H 45 3.975 3.975 4.099 -0.124 18221 4475 1 9 . 1 1 54 54 SER C C 45 177.131 177.131 177.105 0.026 18221 4476 1 9 . 1 1 54 54 SER CA C 45 61.210 61.210 62.219 -1.009 18221 4477 1 9 . 1 1 54 54 SER CB C 45 62.255 62.255 63.010 -0.754 18221 4478 1 9 . 1 1 54 54 SER H H 45 7.944 7.944 7.988 -0.044 18221 4479 1 9 . 1 1 55 55 ILE N N 46 122.912 122.912 121.280 1.632 18221 4480 1 9 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.784 -0.027 18221 4481 1 9 . 1 1 55 55 ILE C C 46 177.813 177.813 177.336 0.477 18221 4482 1 9 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.100 0.091 18221 4483 1 9 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.013 -1.087 18221 4484 1 9 . 1 1 55 55 ILE H H 46 8.028 8.028 8.043 -0.015 18221 4485 1 9 . 1 1 56 56 ALA N N 47 122.990 122.990 122.858 0.132 18221 4486 1 9 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.932 0.024 18221 4487 1 9 . 1 1 56 56 ALA C C 47 180.294 180.294 179.078 1.216 18221 4488 1 9 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.578 -0.240 18221 4489 1 9 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.580 -0.878 18221 4490 1 9 . 1 1 56 56 ALA H H 47 8.333 8.333 7.897 0.436 18221 4491 1 9 . 1 1 57 57 ALA N N 48 121.988 121.988 121.249 0.739 18221 4492 1 9 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.087 -0.019 18221 4493 1 9 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.831 1.590 18221 4494 1 9 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.177 -1.474 18221 4495 1 9 . 1 1 57 57 ALA H H 48 7.879 7.879 7.886 -0.007 18221 4496 1 9 . 1 1 58 58 LYS N N 49 119.094 119.094 117.627 1.467 18221 4497 1 9 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.951 0.195 18221 4498 1 9 . 1 1 58 58 LYS C C 49 179.649 179.649 176.289 3.360 18221 4499 1 9 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.213 0.944 18221 4500 1 9 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.877 0.454 18221 4501 1 9 . 1 1 58 58 LYS H H 49 7.727 7.727 7.909 -0.182 18221 4502 1 9 . 1 1 59 59 MET N N 50 120.498 120.498 118.179 2.319 18221 4503 1 9 . 1 1 59 59 MET HA H 50 4.156 4.156 4.220 -0.064 18221 4504 1 9 . 1 1 59 59 MET C C 50 177.949 177.949 176.314 1.635 18221 4505 1 9 . 1 1 59 59 MET CA C 50 57.136 57.136 56.678 0.458 18221 4506 1 9 . 1 1 59 59 MET CB C 50 31.922 31.922 33.006 -1.084 18221 4507 1 9 . 1 1 59 59 MET H H 50 8.395 8.395 8.291 0.104 18221 4508 1 9 . 1 1 60 60 MET N N 51 117.689 117.689 121.525 -3.836 18221 4509 1 9 . 1 1 60 60 MET HA H 51 4.222 4.222 4.218 0.004 18221 4510 1 9 . 1 1 60 60 MET C C 51 177.674 177.674 176.956 0.718 18221 4511 1 9 . 1 1 60 60 MET CA C 51 57.638 57.638 56.003 1.635 18221 4512 1 9 . 1 1 60 60 MET CB C 51 31.785 31.785 33.065 -1.280 18221 4513 1 9 . 1 1 60 60 MET H H 51 8.234 8.234 8.301 -0.067 18221 4514 1 9 . 1 1 61 61 SER N N 52 114.385 114.385 115.548 -1.163 18221 4515 1 9 . 1 1 61 61 SER HA H 52 4.001 4.001 4.314 -0.314 18221 4516 1 9 . 1 1 61 61 SER C C 52 176.079 176.079 175.377 0.702 18221 4517 1 9 . 1 1 61 61 SER CA C 52 59.911 59.911 59.978 -0.067 18221 4518 1 9 . 1 1 61 61 SER CB C 52 62.624 62.624 63.541 -0.917 18221 4519 1 9 . 1 1 61 61 SER H H 52 7.893 7.893 8.241 -0.348 18221 4520 1 9 . 1 1 62 62 THR N N 53 117.304 117.304 118.314 -1.010 18221 4521 1 9 . 1 1 62 62 THR HA H 53 4.104 4.104 3.949 0.155 18221 4522 1 9 . 1 1 62 62 THR C C 53 175.436 175.436 173.551 1.885 18221 4523 1 9 . 1 1 62 62 THR CA C 53 64.220 64.220 62.593 1.627 18221 4524 1 9 . 1 1 62 62 THR CB C 53 68.514 68.514 68.723 -0.209 18221 4525 1 9 . 1 1 62 62 THR H H 53 7.794 7.794 8.605 -0.811 18221 4526 1 9 . 1 1 63 63 ALA N N 54 125.382 125.382 125.189 0.193 18221 4527 1 9 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.375 -0.281 18221 4528 1 9 . 1 1 63 63 ALA C C 54 178.328 178.328 176.878 1.450 18221 4529 1 9 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.520 1.576 18221 4530 1 9 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.862 -2.154 18221 4531 1 9 . 1 1 63 63 ALA H H 54 8.204 8.204 7.577 0.627 18221 4532 1 9 . 1 1 64 64 ALA N N 55 119.929 119.929 123.035 -3.106 18221 4533 1 9 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.119 0.006 18221 4534 1 9 . 1 1 64 64 ALA C C 55 179.183 179.183 176.393 2.790 18221 4535 1 9 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.304 1.733 18221 4536 1 9 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.214 -1.506 18221 4537 1 9 . 1 1 64 64 ALA H H 55 7.951 7.951 8.324 -0.373 18221 4538 1 9 . 1 1 65 65 ILE N N 56 117.016 117.016 118.678 -1.662 18221 4539 1 9 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.402 -0.452 18221 4540 1 9 . 1 1 65 65 ILE C C 56 177.222 177.222 174.985 2.237 18221 4541 1 9 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.315 0.869 18221 4542 1 9 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.542 -0.469 18221 4543 1 9 . 1 1 65 65 ILE H H 56 7.561 7.561 8.330 -0.769 18221 4544 1 9 . 1 1 66 66 ALA N N 57 124.191 124.191 125.424 -1.233 18221 4545 1 9 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.344 -0.167 18221 4546 1 9 . 1 1 66 66 ALA C C 57 178.190 178.190 176.812 1.378 18221 4547 1 9 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.432 1.104 18221 4548 1 9 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.788 -1.859 18221 4549 1 9 . 1 1 66 66 ALA H H 57 7.982 7.982 8.374 -0.392 18221 4550 1 9 . 1 1 67 67 ASN N N 58 116.132 116.132 119.628 -3.496 18221 4551 1 9 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.781 -0.108 18221 4552 1 9 . 1 1 67 67 ASN C C 58 176.344 176.344 175.733 0.611 18221 4553 1 9 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.026 0.451 18221 4554 1 9 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.166 -0.694 18221 4555 1 9 . 1 1 67 67 ASN H H 58 8.113 8.113 8.196 -0.083 18221 4556 1 9 . 1 1 68 68 GLY N N 59 108.808 108.808 109.481 -0.673 18221 4557 1 9 . 1 1 68 68 GLY C C 59 174.958 174.958 173.022 1.936 18221 4558 1 9 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.696 0.959 18221 4559 1 9 . 1 1 68 68 GLY H H 59 8.152 8.152 8.338 -0.186 18221 4560 1 9 . 1 1 69 69 GLY N N 60 108.832 108.832 107.230 1.602 18221 4561 1 9 . 1 1 69 69 GLY C C 60 174.631 174.631 174.546 0.085 18221 4562 1 9 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.005 0.414 18221 4563 1 9 . 1 1 69 69 GLY H H 60 8.218 8.218 8.371 -0.153 18221 4564 1 9 . 1 1 70 70 GLY N N 61 108.966 108.966 108.422 0.544 18221 4565 1 9 . 1 1 70 70 GLY C C 61 174.594 174.594 174.442 0.152 18221 4566 1 9 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.684 0.676 18221 4567 1 9 . 1 1 70 70 GLY H H 61 8.175 8.175 7.881 0.294 18221 4568 1 9 . 1 1 71 71 VAL N N 62 120.209 120.209 119.215 0.994 18221 4569 1 9 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.758 0.248 18221 4570 1 9 . 1 1 71 71 VAL C C 62 176.077 176.077 175.070 1.007 18221 4571 1 9 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.219 0.170 18221 4572 1 9 . 1 1 71 71 VAL CB C 62 31.698 31.698 33.038 -1.340 18221 4573 1 9 . 1 1 71 71 VAL H H 62 7.882 7.882 7.956 -0.074 18221 4574 1 9 . 1 1 72 72 ALA N N 63 126.966 126.966 123.349 3.617 18221 4575 1 9 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.197 -0.171 18221 4576 1 9 . 1 1 72 72 ALA C C 63 178.064 178.064 176.183 1.881 18221 4577 1 9 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.845 -1.342 18221 4578 1 9 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.041 -0.816 18221 4579 1 9 . 1 1 72 72 ALA H H 63 8.237 8.237 8.301 -0.064 18221 4580 1 9 . 1 1 73 73 ALA N N 64 123.432 123.432 125.278 -1.846 18221 4581 1 9 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.439 -0.424 18221 4582 1 9 . 1 1 73 73 ALA C C 64 178.995 178.995 176.345 2.650 18221 4583 1 9 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.727 2.694 18221 4584 1 9 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.574 -2.571 18221 4585 1 9 . 1 1 73 73 ALA H H 64 8.421 8.421 7.935 0.486 18221 4586 1 9 . 1 1 74 74 GLY N N 65 105.577 105.577 108.028 -2.451 18221 4587 1 9 . 1 1 74 74 GLY C C 65 176.367 176.367 175.679 0.688 18221 4588 1 9 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.766 1.478 18221 4589 1 9 . 1 1 74 74 GLY H H 65 8.448 8.448 8.145 0.303 18221 4590 1 9 . 1 1 75 75 SER N N 66 117.656 117.656 116.502 1.154 18221 4591 1 9 . 1 1 75 75 SER HA H 66 4.394 4.394 4.137 0.257 18221 4592 1 9 . 1 1 75 75 SER C C 66 176.329 176.329 176.839 -0.510 18221 4593 1 9 . 1 1 75 75 SER CA C 66 60.236 60.236 61.369 -1.133 18221 4594 1 9 . 1 1 75 75 SER CB C 66 62.476 62.476 63.003 -0.527 18221 4595 1 9 . 1 1 75 75 SER H H 66 7.899 7.899 8.655 -0.756 18221 4596 1 9 . 1 1 76 76 LEU N N 67 122.743 122.743 121.699 1.044 18221 4597 1 9 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.959 0.091 18221 4598 1 9 . 1 1 76 76 LEU C C 67 178.442 178.442 178.571 -0.129 18221 4599 1 9 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.671 -0.151 18221 4600 1 9 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.542 -0.861 18221 4601 1 9 . 1 1 76 76 LEU H H 67 7.955 7.955 8.118 -0.163 18221 4602 1 9 . 1 1 77 77 VAL N N 68 118.400 118.400 116.397 2.003 18221 4603 1 9 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.563 -0.092 18221 4604 1 9 . 1 1 77 77 VAL C C 68 177.297 177.297 177.109 0.188 18221 4605 1 9 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.164 0.506 18221 4606 1 9 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.963 -0.443 18221 4607 1 9 . 1 1 77 77 VAL H H 68 8.039 8.039 8.438 -0.399 18221 4608 1 9 . 1 1 78 78 ALA N N 69 121.927 121.927 123.086 -1.159 18221 4609 1 9 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.009 0.196 18221 4610 1 9 . 1 1 78 78 ALA C C 69 181.258 181.258 179.549 1.709 18221 4611 1 9 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.300 -0.318 18221 4612 1 9 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.430 -1.016 18221 4613 1 9 . 1 1 78 78 ALA H H 69 7.631 7.631 8.274 -0.643 18221 4614 1 9 . 1 1 79 79 ILE N N 70 119.782 119.782 115.857 3.925 18221 4615 1 9 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.881 -0.085 18221 4616 1 9 . 1 1 79 79 ILE C C 70 178.253 178.253 177.686 0.567 18221 4617 1 9 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.961 0.391 18221 4618 1 9 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.859 -0.786 18221 4619 1 9 . 1 1 79 79 ILE H H 70 7.841 7.841 7.682 0.159 18221 4620 1 9 . 1 1 80 80 LEU N N 71 120.841 120.841 122.260 -1.419 18221 4621 1 9 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.825 0.112 18221 4622 1 9 . 1 1 80 80 LEU C C 71 179.234 179.234 178.552 0.682 18221 4623 1 9 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.882 -1.036 18221 4624 1 9 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.836 -1.817 18221 4625 1 9 . 1 1 80 80 LEU H H 71 8.190 8.190 8.226 -0.036 18221 4626 1 9 . 1 1 81 81 GLN N N 72 117.558 117.558 117.405 0.153 18221 4627 1 9 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.990 -0.021 18221 4628 1 9 . 1 1 81 81 GLN C C 72 178.530 178.530 178.615 -0.085 18221 4629 1 9 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.984 -0.165 18221 4630 1 9 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.580 -1.300 18221 4631 1 9 . 1 1 81 81 GLN H H 72 8.489 8.489 8.201 0.288 18221 4632 1 9 . 1 1 82 82 SER N N 73 116.103 116.103 116.129 -0.026 18221 4633 1 9 . 1 1 82 82 SER HA H 73 4.233 4.233 4.114 0.119 18221 4634 1 9 . 1 1 82 82 SER C C 73 177.243 177.243 176.725 0.518 18221 4635 1 9 . 1 1 82 82 SER CA C 73 61.044 61.044 61.873 -0.829 18221 4636 1 9 . 1 1 82 82 SER CB C 73 62.257 62.257 63.140 -0.883 18221 4637 1 9 . 1 1 82 82 SER H H 73 7.855 7.855 8.167 -0.312 18221 4638 1 9 . 1 1 83 83 VAL N N 74 120.362 120.362 121.208 -0.846 18221 4639 1 9 . 1 1 83 83 VAL C C 74 177.979 177.979 177.459 0.520 18221 4640 1 9 . 1 1 83 83 VAL CA C 74 65.106 65.106 64.855 0.251 18221 4641 1 9 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.358 -0.617 18221 4642 1 9 . 1 1 83 83 VAL H H 74 8.030 8.030 8.062 -0.032 18221 4643 1 9 . 1 1 84 84 GLY N N 75 108.223 108.223 107.325 0.898 18221 4644 1 9 . 1 1 84 84 GLY C C 75 174.913 174.913 175.631 -0.718 18221 4645 1 9 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.155 -0.378 18221 4646 1 9 . 1 1 84 84 GLY H H 75 8.369 8.369 7.848 0.521 18221 4647 1 9 . 1 1 85 85 ALA N N 76 123.550 123.550 124.421 -0.871 18221 4648 1 9 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.119 -0.025 18221 4649 1 9 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.855 -0.257 18221 4650 1 9 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.286 -0.663 18221 4651 1 9 . 1 1 85 85 ALA H H 76 8.115 8.115 8.379 -0.264 18221 4652 1 9 . 1 1 86 86 ALA N N 77 120.410 120.410 120.936 -0.526 18221 4653 1 9 . 1 1 86 86 ALA C C 77 178.988 178.988 179.556 -0.568 18221 4654 1 9 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.384 -0.548 18221 4655 1 9 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.913 -0.403 18221 4656 1 9 . 1 1 86 86 ALA H H 77 8.632 8.632 8.304 0.328 18221 4657 1 9 . 1 1 87 87 GLY N N 78 105.706 105.706 107.385 -1.679 18221 4658 1 9 . 1 1 87 87 GLY C C 78 175.939 175.939 176.142 -0.203 18221 4659 1 9 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.040 -0.922 18221 4660 1 9 . 1 1 87 87 GLY H H 78 8.196 8.196 7.807 0.389 18221 4661 1 9 . 1 1 88 88 LEU N N 79 124.128 124.128 122.299 1.829 18221 4662 1 9 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.286 0.116 18221 4663 1 9 . 1 1 88 88 LEU CB C 79 40.387 40.387 40.944 -0.556 18221 4664 1 9 . 1 1 88 88 LEU H H 79 8.449 8.449 8.052 0.397 18221 4665 1 9 . 1 1 89 89 SER N N 80 116.251 116.251 115.549 0.702 18221 4666 1 9 . 1 1 89 89 SER C C 80 179.153 179.153 176.944 2.209 18221 4667 1 9 . 1 1 89 89 SER CA C 80 61.023 61.023 61.653 -0.630 18221 4668 1 9 . 1 1 89 89 SER CB C 80 62.255 62.255 62.810 -0.555 18221 4669 1 9 . 1 1 89 89 SER H H 80 8.120 8.120 8.363 -0.243 18221 4670 1 9 . 1 1 90 90 VAL N N 81 119.310 119.310 121.415 -2.105 18221 4671 1 9 . 1 1 90 90 VAL C C 81 177.652 177.652 178.463 -0.811 18221 4672 1 9 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.692 -0.616 18221 4673 1 9 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.792 0.538 18221 4674 1 9 . 1 1 90 90 VAL H H 81 7.955 7.955 8.361 -0.406 18221 4675 1 9 . 1 1 91 91 THR N N 82 115.535 115.535 116.970 -1.435 18221 4676 1 9 . 1 1 91 91 THR C C 82 176.571 176.571 176.676 -0.105 18221 4677 1 9 . 1 1 91 91 THR CA C 82 66.434 66.434 66.930 -0.496 18221 4678 1 9 . 1 1 91 91 THR CB C 82 67.742 67.742 68.392 -0.650 18221 4679 1 9 . 1 1 91 91 THR H H 82 7.888 7.888 8.427 -0.539 18221 4680 1 9 . 1 1 92 92 SER N N 83 116.537 116.537 117.875 -1.338 18221 4681 1 9 . 1 1 92 92 SER HA H 83 4.040 4.040 3.955 0.085 18221 4682 1 9 . 1 1 92 92 SER C C 83 176.761 176.761 176.525 0.236 18221 4683 1 9 . 1 1 92 92 SER CA C 83 61.564 61.564 61.817 -0.253 18221 4684 1 9 . 1 1 92 92 SER CB C 83 62.009 62.009 62.709 -0.700 18221 4685 1 9 . 1 1 92 92 SER H H 83 8.212 8.212 8.160 0.052 18221 4686 1 9 . 1 1 93 93 LYS N N 84 122.353 122.353 121.938 0.415 18221 4687 1 9 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.944 0.175 18221 4688 1 9 . 1 1 93 93 LYS C C 84 172.812 172.812 179.174 -6.362 18221 4689 1 9 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.369 -0.934 18221 4690 1 9 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.570 -1.093 18221 4691 1 9 . 1 1 93 93 LYS H H 84 7.642 7.642 8.181 -0.539 18221 4692 1 9 . 1 1 94 94 VAL N N 85 119.348 119.348 117.990 1.358 18221 4693 1 9 . 1 1 94 94 VAL C C 85 177.948 177.948 177.154 0.794 18221 4694 1 9 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.323 0.065 18221 4695 1 9 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.953 -0.107 18221 4696 1 9 . 1 1 94 94 VAL H H 85 8.414 8.414 7.636 0.778 18221 4697 1 9 . 1 1 95 95 ILE N N 86 118.769 118.769 117.422 1.347 18221 4698 1 9 . 1 1 95 95 ILE C C 86 177.972 177.972 176.201 1.771 18221 4699 1 9 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.459 0.378 18221 4700 1 9 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.861 -2.229 18221 4701 1 9 . 1 1 95 95 ILE H H 86 8.169 8.169 7.628 0.541 18221 4702 1 9 . 1 1 96 96 GLY N N 87 107.955 107.955 105.137 2.818 18221 4703 1 9 . 1 1 96 96 GLY C C 87 176.571 176.571 174.220 2.351 18221 4704 1 9 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.767 1.744 18221 4705 1 9 . 1 1 96 96 GLY H H 87 8.182 8.182 8.330 -0.148 18221 4706 1 9 . 1 1 97 97 GLY N N 88 109.117 109.117 110.826 -1.709 18221 4707 1 9 . 1 1 97 97 GLY C C 88 175.524 175.524 173.314 2.210 18221 4708 1 9 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.962 -1.130 18221 4709 1 9 . 1 1 97 97 GLY H H 88 7.953 7.953 8.010 -0.057 18221 4710 1 9 . 1 1 98 98 PHE N N 89 121.100 121.100 117.051 4.049 18221 4711 1 9 . 1 1 98 98 PHE C C 89 176.367 176.367 173.797 2.570 18221 4712 1 9 . 1 1 98 98 PHE CA C 89 56.900 56.900 56.186 0.714 18221 4713 1 9 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.095 0.737 18221 4714 1 9 . 1 1 98 98 PHE H H 89 8.000 8.000 7.537 0.463 18221 4715 1 9 . 1 1 99 99 ALA N N 90 122.834 122.834 128.001 -5.167 18221 4716 1 9 . 1 1 99 99 ALA C C 90 178.348 178.348 176.086 2.262 18221 4717 1 9 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.277 3.000 18221 4718 1 9 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.534 -2.120 18221 4719 1 9 . 1 1 99 99 ALA H H 90 8.322 8.322 8.352 -0.030 18221 4720 1 9 . 1 1 100 100 GLY N N 91 106.688 106.688 107.385 -0.697 18221 4721 1 9 . 1 1 100 100 GLY C C 91 175.878 175.878 173.131 2.747 18221 4722 1 9 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.224 0.402 18221 4723 1 9 . 1 1 100 100 GLY H H 91 8.000 8.000 7.985 0.015 18221 4724 1 9 . 1 1 101 101 THR N N 92 115.689 115.689 110.374 5.315 18221 4725 1 9 . 1 1 101 101 THR C C 92 178.476 178.476 173.422 5.054 18221 4726 1 9 . 1 1 101 101 THR CA C 92 63.364 63.364 62.452 0.912 18221 4727 1 9 . 1 1 101 101 THR CB C 92 69.619 69.619 68.175 1.444 18221 4728 1 9 . 1 1 101 101 THR H H 92 7.754 7.754 8.251 -0.497 18221 4729 1 9 . 1 1 102 102 ALA N N 93 124.835 124.835 123.170 1.665 18221 4730 1 9 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.989 2.322 18221 4731 1 9 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.629 -1.950 18221 4732 1 9 . 1 1 102 102 ALA H H 93 7.919 7.919 7.942 -0.023 18221 4733 1 9 . 1 1 103 103 LEU N N 94 117.445 117.445 121.206 -3.761 18221 4734 1 9 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.832 0.950 18221 4735 1 9 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.891 -1.989 18221 4736 1 9 . 1 1 103 103 LEU H H 94 8.037 8.037 8.291 -0.254 18221 4737 1 9 . 1 1 104 104 GLY N N 95 106.296 106.296 107.353 -1.057 18221 4738 1 9 . 1 1 104 104 GLY C C 95 175.851 175.851 173.479 2.372 18221 4739 1 9 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.509 2.061 18221 4740 1 9 . 1 1 104 104 GLY H H 95 7.900 7.900 7.998 -0.098 18221 4741 1 9 . 1 1 105 105 ALA N N 96 123.872 123.872 121.223 2.649 18221 4742 1 9 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.070 2.056 18221 4743 1 9 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.450 -1.863 18221 4744 1 9 . 1 1 105 105 ALA H H 96 7.804 7.804 8.132 -0.328 18221 4745 1 9 . 1 1 106 106 TRP N N 97 120.348 120.348 124.478 -4.130 18221 4746 1 9 . 1 1 106 106 TRP C C 97 176.857 176.857 175.123 1.734 18221 4747 1 9 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.629 0.271 18221 4748 1 9 . 1 1 106 106 TRP H H 97 8.385 8.385 8.507 -0.122 18221 4749 1 9 . 1 1 107 107 LEU N N 98 117.756 117.756 125.523 -7.767 18221 4750 1 9 . 1 1 107 107 LEU C C 98 177.659 177.659 176.481 1.178 18221 4751 1 9 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.843 -0.740 18221 4752 1 9 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.560 -0.142 18221 4753 1 9 . 1 1 107 107 LEU H H 98 7.880 7.880 8.001 -0.121 18221 4754 1 9 . 1 1 108 108 GLY N N 99 107.285 107.285 110.390 -3.105 18221 4755 1 9 . 1 1 108 108 GLY C C 99 173.815 173.815 172.604 1.211 18221 4756 1 9 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.666 0.281 18221 4757 1 9 . 1 1 108 108 GLY H H 99 7.694 7.694 7.691 0.003 18221 4758 1 9 . 1 1 109 109 SER N N 100 117.139 117.139 115.724 1.415 18221 4759 1 9 . 1 1 109 109 SER C C 100 172.179 172.179 172.075 0.104 18221 4760 1 9 . 1 1 109 109 SER CA C 100 56.015 56.015 57.153 -1.137 18221 4761 1 9 . 1 1 109 109 SER CB C 100 62.771 62.771 64.243 -1.472 18221 4762 1 9 . 1 1 109 109 SER H H 100 8.030 8.030 8.428 -0.398 18221 4763 1 9 . 1 1 111 111 PRO C C 102 177.073 177.073 176.240 0.833 18221 4764 1 9 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.060 -0.862 18221 4765 1 9 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.285 -1.074 18221 4766 1 9 . 1 1 112 112 SER N N 103 117.115 117.115 118.704 -1.589 18221 4767 1 9 . 1 1 112 112 SER C C 103 173.898 173.898 174.913 -1.015 18221 4768 1 9 . 1 1 112 112 SER CA C 103 57.904 57.904 58.561 -0.657 18221 4769 1 9 . 1 1 112 112 SER CB C 103 63.360 63.360 63.668 -0.308 18221 4770 1 9 . 1 1 112 112 SER H H 103 8.345 8.345 8.940 -0.595 18221 4771 1 10 . 1 1 11 11 GLY N N 2 109.366 109.366 109.968 -0.602 18221 4772 1 10 . 1 1 11 11 GLY C C 2 174.543 174.543 172.779 1.764 18221 4773 1 10 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.487 0.208 18221 4774 1 10 . 1 1 11 11 GLY H H 2 8.271 8.271 8.335 -0.064 18221 4775 1 10 . 1 1 12 12 LYS N N 3 121.129 121.129 121.734 -0.605 18221 4776 1 10 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.043 0.089 18221 4777 1 10 . 1 1 12 12 LYS C C 3 177.234 177.234 175.840 1.394 18221 4778 1 10 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.531 0.281 18221 4779 1 10 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.458 -1.612 18221 4780 1 10 . 1 1 12 12 LYS H H 3 8.057 8.057 8.148 -0.091 18221 4781 1 10 . 1 1 13 13 GLU N N 4 120.318 120.318 120.751 -0.433 18221 4782 1 10 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.201 -0.046 18221 4783 1 10 . 1 1 13 13 GLU C C 4 176.857 176.857 177.816 -0.959 18221 4784 1 10 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.112 -0.241 18221 4785 1 10 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.269 -1.881 18221 4786 1 10 . 1 1 13 13 GLU H H 4 8.398 8.398 8.363 0.035 18221 4787 1 10 . 1 1 14 14 SER N N 5 115.504 115.504 115.488 0.016 18221 4788 1 10 . 1 1 14 14 SER HA H 5 3.843 3.843 4.191 -0.348 18221 4789 1 10 . 1 1 14 14 SER C C 5 175.337 175.337 174.964 0.373 18221 4790 1 10 . 1 1 14 14 SER CA C 5 58.524 58.524 60.281 -1.757 18221 4791 1 10 . 1 1 14 14 SER CB C 5 63.360 63.360 63.527 -0.167 18221 4792 1 10 . 1 1 14 14 SER H H 5 8.089 8.089 8.518 -0.429 18221 4793 1 10 . 1 1 15 15 GLY N N 6 110.761 110.761 108.975 1.786 18221 4794 1 10 . 1 1 15 15 GLY C C 6 174.581 174.581 175.265 -0.684 18221 4795 1 10 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.352 0.214 18221 4796 1 10 . 1 1 15 15 GLY H H 6 8.197 8.197 8.199 -0.002 18221 4797 1 10 . 1 1 16 16 TRP N N 7 121.800 121.800 123.126 -1.326 18221 4798 1 10 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.407 0.153 18221 4799 1 10 . 1 1 16 16 TRP C C 7 176.920 176.920 176.545 0.375 18221 4800 1 10 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.375 -0.294 18221 4801 1 10 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.419 -0.740 18221 4802 1 10 . 1 1 16 16 TRP H H 7 8.184 8.184 8.537 -0.353 18221 4803 1 10 . 1 1 17 17 ASP N N 8 121.132 121.132 119.404 1.728 18221 4804 1 10 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.556 -0.161 18221 4805 1 10 . 1 1 17 17 ASP C C 8 176.941 176.941 174.756 2.185 18221 4806 1 10 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.191 1.053 18221 4807 1 10 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.440 -1.495 18221 4808 1 10 . 1 1 17 17 ASP H H 8 8.332 8.332 8.015 0.317 18221 4809 1 10 . 1 1 18 18 SER N N 9 116.148 116.148 115.207 0.941 18221 4810 1 10 . 1 1 18 18 SER HA H 9 3.861 3.861 4.527 -0.666 18221 4811 1 10 . 1 1 18 18 SER CA C 9 60.081 60.081 57.790 2.291 18221 4812 1 10 . 1 1 18 18 SER CB C 9 62.255 62.255 64.789 -2.534 18221 4813 1 10 . 1 1 18 18 SER H H 9 8.129 8.129 8.036 0.093 18221 4814 1 10 . 1 1 19 19 GLY N N 10 110.747 110.747 112.490 -1.743 18221 4815 1 10 . 1 1 19 19 GLY C C 10 174.682 174.682 175.886 -1.204 18221 4816 1 10 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.740 0.860 18221 4817 1 10 . 1 1 19 19 GLY H H 10 8.216 8.216 8.474 -0.258 18221 4818 1 10 . 1 1 20 20 ARG N N 11 121.405 121.405 120.316 1.089 18221 4819 1 10 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.235 -0.378 18221 4820 1 10 . 1 1 20 20 ARG C C 11 178.328 178.328 178.406 -0.078 18221 4821 1 10 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.206 0.879 18221 4822 1 10 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.319 -1.272 18221 4823 1 10 . 1 1 20 20 ARG H H 11 8.158 8.158 8.485 -0.327 18221 4824 1 10 . 1 1 21 21 ALA N N 12 122.167 122.167 122.652 -0.485 18221 4825 1 10 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.066 0.034 18221 4826 1 10 . 1 1 21 21 ALA C C 12 180.129 180.129 179.243 0.886 18221 4827 1 10 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.647 -0.255 18221 4828 1 10 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.995 -0.582 18221 4829 1 10 . 1 1 21 21 ALA H H 12 7.963 7.963 8.291 -0.328 18221 4830 1 10 . 1 1 22 22 ALA N N 13 122.150 122.150 121.635 0.515 18221 4831 1 10 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.838 0.199 18221 4832 1 10 . 1 1 22 22 ALA C C 13 179.095 179.095 179.470 -0.375 18221 4833 1 10 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.093 -0.377 18221 4834 1 10 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.063 -0.502 18221 4835 1 10 . 1 1 22 22 ALA H H 13 7.881 7.881 8.223 -0.342 18221 4836 1 10 . 1 1 23 23 VAL N N 14 117.107 117.107 118.881 -1.774 18221 4837 1 10 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.613 -0.133 18221 4838 1 10 . 1 1 23 23 VAL C C 14 177.586 177.586 177.887 -0.301 18221 4839 1 10 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.775 0.423 18221 4840 1 10 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.099 -0.579 18221 4841 1 10 . 1 1 23 23 VAL H H 14 7.888 7.888 8.095 -0.207 18221 4842 1 10 . 1 1 24 24 ALA N N 15 121.333 121.333 121.645 -0.312 18221 4843 1 10 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.961 0.020 18221 4844 1 10 . 1 1 24 24 ALA C C 15 180.373 180.373 179.367 1.006 18221 4845 1 10 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.189 -0.178 18221 4846 1 10 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.958 -0.706 18221 4847 1 10 . 1 1 24 24 ALA H H 15 8.037 8.037 7.822 0.215 18221 4848 1 10 . 1 1 25 25 ALA N N 16 121.158 121.158 119.007 2.151 18221 4849 1 10 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.071 0.075 18221 4850 1 10 . 1 1 25 25 ALA C C 16 179.828 179.828 179.741 0.087 18221 4851 1 10 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.674 -0.223 18221 4852 1 10 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.297 -0.810 18221 4853 1 10 . 1 1 25 25 ALA H H 16 7.819 7.819 7.960 -0.141 18221 4854 1 10 . 1 1 26 26 VAL N N 17 118.417 118.417 118.146 0.271 18221 4855 1 10 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.801 -0.023 18221 4856 1 10 . 1 1 26 26 VAL C C 17 178.020 178.020 177.121 0.899 18221 4857 1 10 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.911 0.667 18221 4858 1 10 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.863 -0.779 18221 4859 1 10 . 1 1 26 26 VAL H H 17 7.848 7.848 7.520 0.328 18221 4860 1 10 . 1 1 27 27 VAL N N 18 119.240 119.240 118.588 0.652 18221 4861 1 10 . 1 1 27 27 VAL C C 18 177.719 177.719 178.087 -0.368 18221 4862 1 10 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.546 2.445 18221 4863 1 10 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.636 -1.449 18221 4864 1 10 . 1 1 27 27 VAL H H 18 8.377 8.377 7.871 0.506 18221 4865 1 10 . 1 1 28 28 GLY N N 19 106.009 106.009 109.535 -3.526 18221 4866 1 10 . 1 1 28 28 GLY C C 19 176.212 176.212 174.302 1.910 18221 4867 1 10 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.981 -0.737 18221 4868 1 10 . 1 1 28 28 GLY H H 19 8.122 8.122 7.897 0.225 18221 4869 1 10 . 1 1 29 29 GLY N N 20 110.216 110.216 107.298 2.918 18221 4870 1 10 . 1 1 29 29 GLY C C 20 174.097 174.097 174.415 -0.318 18221 4871 1 10 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.442 1.892 18221 4872 1 10 . 1 1 29 29 GLY H H 20 8.039 8.039 7.513 0.526 18221 4873 1 10 . 1 1 30 30 VAL N N 21 121.188 121.188 125.418 -4.230 18221 4874 1 10 . 1 1 30 30 VAL C C 21 177.073 177.073 177.297 -0.224 18221 4875 1 10 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.341 -3.767 18221 4876 1 10 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.711 -0.921 18221 4877 1 10 . 1 1 30 30 VAL H H 21 7.983 7.983 8.581 -0.598 18221 4878 1 10 . 1 1 32 32 ALA N N 23 125.091 125.091 121.588 3.503 18221 4879 1 10 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.074 0.186 18221 4880 1 10 . 1 1 32 32 ALA C C 23 179.523 179.523 180.108 -0.585 18221 4881 1 10 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.033 -1.350 18221 4882 1 10 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.897 -1.514 18221 4883 1 10 . 1 1 32 32 ALA H H 23 8.036 8.036 8.161 -0.125 18221 4884 1 10 . 1 1 33 33 VAL N N 24 118.793 118.793 117.692 1.101 18221 4885 1 10 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.622 0.086 18221 4886 1 10 . 1 1 33 33 VAL C C 24 177.901 177.901 178.019 -0.118 18221 4887 1 10 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.917 -0.487 18221 4888 1 10 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.421 -0.103 18221 4889 1 10 . 1 1 33 33 VAL H H 24 8.195 8.195 8.095 0.100 18221 4890 1 10 . 1 1 34 34 GLY N N 25 108.367 108.367 108.329 0.038 18221 4891 1 10 . 1 1 34 34 GLY C C 25 175.424 175.424 175.722 -0.298 18221 4892 1 10 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.588 -0.254 18221 4893 1 10 . 1 1 34 34 GLY H H 25 8.651 8.651 8.276 0.375 18221 4894 1 10 . 1 1 35 35 THR N N 26 116.448 116.448 119.668 -3.220 18221 4895 1 10 . 1 1 35 35 THR C C 26 176.843 176.843 176.860 -0.017 18221 4896 1 10 . 1 1 35 35 THR CA C 26 65.962 65.962 67.088 -1.126 18221 4897 1 10 . 1 1 35 35 THR CB C 26 68.414 68.414 68.870 -0.456 18221 4898 1 10 . 1 1 35 35 THR H H 26 7.975 7.975 8.258 -0.283 18221 4899 1 10 . 1 1 36 36 VAL N N 27 122.810 122.810 121.443 1.367 18221 4900 1 10 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.653 0.066 18221 4901 1 10 . 1 1 36 36 VAL C C 27 177.618 177.618 177.712 -0.094 18221 4902 1 10 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.769 -1.043 18221 4903 1 10 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.161 -0.494 18221 4904 1 10 . 1 1 36 36 VAL H H 27 7.559 7.559 8.069 -0.510 18221 4905 1 10 . 1 1 37 37 LEU N N 28 119.566 119.566 120.146 -0.580 18221 4906 1 10 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.897 0.056 18221 4907 1 10 . 1 1 37 37 LEU C C 28 179.666 179.666 179.121 0.545 18221 4908 1 10 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.379 -0.534 18221 4909 1 10 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.840 -1.673 18221 4910 1 10 . 1 1 37 37 LEU H H 28 8.086 8.086 7.962 0.124 18221 4911 1 10 . 1 1 38 38 VAL N N 29 119.468 119.468 118.744 0.724 18221 4912 1 10 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.548 0.105 18221 4913 1 10 . 1 1 38 38 VAL C C 29 178.639 178.639 177.860 0.779 18221 4914 1 10 . 1 1 38 38 VAL CA C 29 65.473 65.473 67.164 -1.691 18221 4915 1 10 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.221 -0.612 18221 4916 1 10 . 1 1 38 38 VAL H H 29 8.066 8.066 8.420 -0.354 18221 4917 1 10 . 1 1 39 39 ALA N N 30 124.255 124.255 123.031 1.224 18221 4918 1 10 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.031 0.134 18221 4919 1 10 . 1 1 39 39 ALA C C 30 180.303 180.303 178.809 1.494 18221 4920 1 10 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.046 -0.212 18221 4921 1 10 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.609 -0.901 18221 4922 1 10 . 1 1 39 39 ALA H H 30 7.688 7.688 7.856 -0.168 18221 4923 1 10 . 1 1 40 40 LEU N N 31 118.268 118.268 118.094 0.174 18221 4924 1 10 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.037 0.104 18221 4925 1 10 . 1 1 40 40 LEU C C 31 179.271 179.271 179.056 0.215 18221 4926 1 10 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.915 -0.837 18221 4927 1 10 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.954 -1.052 18221 4928 1 10 . 1 1 40 40 LEU H H 31 8.326 8.326 7.899 0.427 18221 4929 1 10 . 1 1 41 41 SER N N 32 114.984 114.984 112.805 2.179 18221 4930 1 10 . 1 1 41 41 SER HA H 32 3.952 3.952 4.225 -0.273 18221 4931 1 10 . 1 1 41 41 SER C C 32 176.284 176.284 175.527 0.757 18221 4932 1 10 . 1 1 41 41 SER CA C 32 60.885 60.885 60.494 0.391 18221 4933 1 10 . 1 1 41 41 SER CB C 32 62.410 62.410 62.918 -0.508 18221 4934 1 10 . 1 1 41 41 SER H H 32 8.062 8.062 8.258 -0.196 18221 4935 1 10 . 1 1 42 42 ALA N N 33 124.588 124.588 122.526 2.062 18221 4936 1 10 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.164 0.061 18221 4937 1 10 . 1 1 42 42 ALA C C 33 179.033 179.033 178.685 0.348 18221 4938 1 10 . 1 1 42 42 ALA CA C 33 53.713 53.713 53.500 0.213 18221 4939 1 10 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.311 -1.382 18221 4940 1 10 . 1 1 42 42 ALA H H 33 7.813 7.813 7.844 -0.031 18221 4941 1 10 . 1 1 43 43 MET N N 34 116.808 116.808 113.682 3.126 18221 4942 1 10 . 1 1 43 43 MET HA H 34 4.285 4.285 4.048 0.237 18221 4943 1 10 . 1 1 43 43 MET C C 34 176.807 176.807 176.482 0.325 18221 4944 1 10 . 1 1 43 43 MET CA C 34 56.576 56.576 57.883 -1.307 18221 4945 1 10 . 1 1 43 43 MET CB C 34 32.435 32.435 31.740 0.695 18221 4946 1 10 . 1 1 43 43 MET H H 34 7.691 7.691 8.631 -0.940 18221 4947 1 10 . 1 1 44 44 GLY N N 35 107.020 107.020 108.071 -1.051 18221 4948 1 10 . 1 1 44 44 GLY C C 35 174.493 174.493 173.602 0.891 18221 4949 1 10 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.821 0.244 18221 4950 1 10 . 1 1 44 44 GLY H H 35 7.793 7.793 8.253 -0.460 18221 4951 1 10 . 1 1 45 45 PHE N N 36 120.285 120.285 119.124 1.161 18221 4952 1 10 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.119 0.388 18221 4953 1 10 . 1 1 45 45 PHE C C 36 176.876 176.876 175.165 1.711 18221 4954 1 10 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.059 0.878 18221 4955 1 10 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.424 -1.246 18221 4956 1 10 . 1 1 45 45 PHE H H 36 8.215 8.215 7.937 0.278 18221 4957 1 10 . 1 1 46 46 THR N N 37 114.008 114.008 117.908 -3.900 18221 4958 1 10 . 1 1 46 46 THR HA H 37 4.080 4.080 4.267 -0.187 18221 4959 1 10 . 1 1 46 46 THR C C 37 175.751 175.751 174.999 0.752 18221 4960 1 10 . 1 1 46 46 THR CA C 37 64.220 64.220 64.809 -0.589 18221 4961 1 10 . 1 1 46 46 THR CB C 37 68.514 68.514 69.248 -0.734 18221 4962 1 10 . 1 1 46 46 THR H H 37 8.111 8.111 8.310 -0.199 18221 4963 1 10 . 1 1 47 47 SER N N 38 116.646 116.646 111.819 4.827 18221 4964 1 10 . 1 1 47 47 SER HA H 38 3.918 3.918 4.578 -0.660 18221 4965 1 10 . 1 1 47 47 SER C C 38 176.744 176.744 173.192 3.552 18221 4966 1 10 . 1 1 47 47 SER CA C 38 59.911 59.911 58.393 1.518 18221 4967 1 10 . 1 1 47 47 SER CB C 38 62.624 62.624 64.083 -1.459 18221 4968 1 10 . 1 1 47 47 SER H H 38 8.079 8.079 7.818 0.261 18221 4969 1 10 . 1 1 48 48 VAL N N 39 121.929 121.929 122.033 -0.104 18221 4970 1 10 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.806 0.103 18221 4971 1 10 . 1 1 48 48 VAL C C 39 177.033 177.033 176.903 0.130 18221 4972 1 10 . 1 1 48 48 VAL CA C 39 64.988 64.988 63.578 1.410 18221 4973 1 10 . 1 1 48 48 VAL CB C 39 30.667 30.667 32.723 -2.056 18221 4974 1 10 . 1 1 48 48 VAL H H 39 7.985 7.985 8.004 -0.019 18221 4975 1 10 . 1 1 49 49 GLY N N 40 108.633 108.633 111.487 -2.854 18221 4976 1 10 . 1 1 49 49 GLY C C 40 176.038 176.038 176.192 -0.154 18221 4977 1 10 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.627 -0.762 18221 4978 1 10 . 1 1 49 49 GLY H H 40 8.267 8.267 8.650 -0.383 18221 4979 1 10 . 1 1 50 50 ILE N N 41 122.466 122.466 122.856 -0.390 18221 4980 1 10 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.614 0.257 18221 4981 1 10 . 1 1 50 50 ILE C C 41 178.363 178.363 178.011 0.352 18221 4982 1 10 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.108 -0.593 18221 4983 1 10 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.590 -0.352 18221 4984 1 10 . 1 1 50 50 ILE H H 41 7.865 7.865 7.923 -0.058 18221 4985 1 10 . 1 1 51 51 ALA N N 42 125.064 125.064 120.832 4.232 18221 4986 1 10 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.978 0.121 18221 4987 1 10 . 1 1 51 51 ALA C C 42 179.385 179.385 179.365 0.020 18221 4988 1 10 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.989 -0.509 18221 4989 1 10 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.928 -0.441 18221 4990 1 10 . 1 1 51 51 ALA H H 42 7.930 7.930 8.291 -0.361 18221 4991 1 10 . 1 1 52 52 ALA N N 43 120.594 120.594 120.576 0.018 18221 4992 1 10 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.053 -0.116 18221 4993 1 10 . 1 1 52 52 ALA C C 43 179.088 179.088 179.949 -0.861 18221 4994 1 10 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.815 0.285 18221 4995 1 10 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.009 -0.374 18221 4996 1 10 . 1 1 52 52 ALA H H 43 8.639 8.639 8.075 0.564 18221 4997 1 10 . 1 1 53 53 SER N N 44 113.012 113.012 115.123 -2.111 18221 4998 1 10 . 1 1 53 53 SER HA H 44 3.966 3.966 4.221 -0.255 18221 4999 1 10 . 1 1 53 53 SER C C 44 176.898 176.898 176.757 0.141 18221 5000 1 10 . 1 1 53 53 SER CA C 44 61.139 61.139 61.434 -0.296 18221 5001 1 10 . 1 1 53 53 SER CB C 44 62.347 62.347 63.150 -0.803 18221 5002 1 10 . 1 1 53 53 SER H H 44 8.193 8.193 8.305 -0.112 18221 5003 1 10 . 1 1 54 54 SER N N 45 118.714 118.714 119.043 -0.329 18221 5004 1 10 . 1 1 54 54 SER HA H 45 3.975 3.975 4.108 -0.133 18221 5005 1 10 . 1 1 54 54 SER C C 45 177.131 177.131 176.678 0.453 18221 5006 1 10 . 1 1 54 54 SER CA C 45 61.210 61.210 62.180 -0.970 18221 5007 1 10 . 1 1 54 54 SER CB C 45 62.255 62.255 63.138 -0.883 18221 5008 1 10 . 1 1 54 54 SER H H 45 7.944 7.944 8.047 -0.103 18221 5009 1 10 . 1 1 55 55 ILE N N 46 122.912 122.912 121.451 1.461 18221 5010 1 10 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.775 -0.018 18221 5011 1 10 . 1 1 55 55 ILE C C 46 177.813 177.813 177.335 0.478 18221 5012 1 10 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.292 -0.101 18221 5013 1 10 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.096 -1.170 18221 5014 1 10 . 1 1 55 55 ILE H H 46 8.028 8.028 8.196 -0.168 18221 5015 1 10 . 1 1 56 56 ALA N N 47 122.990 122.990 122.735 0.255 18221 5016 1 10 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.031 -0.075 18221 5017 1 10 . 1 1 56 56 ALA C C 47 180.294 180.294 178.841 1.453 18221 5018 1 10 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.546 -0.208 18221 5019 1 10 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.475 -0.773 18221 5020 1 10 . 1 1 56 56 ALA H H 47 8.333 8.333 7.770 0.563 18221 5021 1 10 . 1 1 57 57 ALA N N 48 121.988 121.988 120.830 1.158 18221 5022 1 10 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.154 -0.086 18221 5023 1 10 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.437 0.984 18221 5024 1 10 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.399 -1.697 18221 5025 1 10 . 1 1 57 57 ALA H H 48 7.879 7.879 7.831 0.048 18221 5026 1 10 . 1 1 58 58 LYS N N 49 119.094 119.094 114.954 4.140 18221 5027 1 10 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.836 0.310 18221 5028 1 10 . 1 1 58 58 LYS C C 49 179.649 179.649 175.407 4.242 18221 5029 1 10 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.832 0.325 18221 5030 1 10 . 1 1 58 58 LYS CB C 49 31.330 31.330 29.545 1.785 18221 5031 1 10 . 1 1 58 58 LYS H H 49 7.727 7.727 7.837 -0.110 18221 5032 1 10 . 1 1 59 59 MET N N 50 120.498 120.498 119.305 1.193 18221 5033 1 10 . 1 1 59 59 MET HA H 50 4.156 4.156 4.512 -0.356 18221 5034 1 10 . 1 1 59 59 MET C C 50 177.949 177.949 176.028 1.921 18221 5035 1 10 . 1 1 59 59 MET CA C 50 57.136 57.136 54.986 2.150 18221 5036 1 10 . 1 1 59 59 MET CB C 50 31.922 31.922 33.782 -1.860 18221 5037 1 10 . 1 1 59 59 MET H H 50 8.395 8.395 7.988 0.407 18221 5038 1 10 . 1 1 60 60 MET N N 51 117.689 117.689 126.347 -8.658 18221 5039 1 10 . 1 1 60 60 MET HA H 51 4.222 4.222 4.269 -0.047 18221 5040 1 10 . 1 1 60 60 MET C C 51 177.674 177.674 175.562 2.112 18221 5041 1 10 . 1 1 60 60 MET CA C 51 57.638 57.638 57.195 0.443 18221 5042 1 10 . 1 1 60 60 MET CB C 51 31.785 31.785 32.284 -0.499 18221 5043 1 10 . 1 1 60 60 MET H H 51 8.234 8.234 8.824 -0.590 18221 5044 1 10 . 1 1 61 61 SER N N 52 114.385 114.385 116.661 -2.276 18221 5045 1 10 . 1 1 61 61 SER HA H 52 4.001 4.001 4.530 -0.529 18221 5046 1 10 . 1 1 61 61 SER C C 52 176.079 176.079 173.788 2.291 18221 5047 1 10 . 1 1 61 61 SER CA C 52 59.911 59.911 58.677 1.234 18221 5048 1 10 . 1 1 61 61 SER CB C 52 62.624 62.624 64.241 -1.617 18221 5049 1 10 . 1 1 61 61 SER H H 52 7.893 7.893 8.666 -0.773 18221 5050 1 10 . 1 1 62 62 THR N N 53 117.304 117.304 116.357 0.947 18221 5051 1 10 . 1 1 62 62 THR HA H 53 4.104 4.104 4.676 -0.572 18221 5052 1 10 . 1 1 62 62 THR C C 53 175.436 175.436 174.585 0.851 18221 5053 1 10 . 1 1 62 62 THR CA C 53 64.220 64.220 61.059 3.161 18221 5054 1 10 . 1 1 62 62 THR CB C 53 68.514 68.514 69.325 -0.811 18221 5055 1 10 . 1 1 62 62 THR H H 53 7.794 7.794 8.215 -0.421 18221 5056 1 10 . 1 1 63 63 ALA N N 54 125.382 125.382 129.582 -4.200 18221 5057 1 10 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.278 -0.184 18221 5058 1 10 . 1 1 63 63 ALA C C 54 178.328 178.328 176.611 1.717 18221 5059 1 10 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.373 0.723 18221 5060 1 10 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.169 -1.462 18221 5061 1 10 . 1 1 63 63 ALA H H 54 8.204 8.204 8.395 -0.191 18221 5062 1 10 . 1 1 64 64 ALA N N 55 119.929 119.929 119.849 0.080 18221 5063 1 10 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.569 -0.444 18221 5064 1 10 . 1 1 64 64 ALA C C 55 179.183 179.183 176.936 2.247 18221 5065 1 10 . 1 1 64 64 ALA CA C 55 54.037 54.037 50.730 3.307 18221 5066 1 10 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.503 -2.795 18221 5067 1 10 . 1 1 64 64 ALA H H 55 7.951 7.951 7.594 0.357 18221 5068 1 10 . 1 1 65 65 ILE N N 56 117.016 117.016 118.341 -1.325 18221 5069 1 10 . 1 1 65 65 ILE HA H 56 3.950 3.950 3.992 -0.042 18221 5070 1 10 . 1 1 65 65 ILE C C 56 177.222 177.222 176.129 1.093 18221 5071 1 10 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.338 0.846 18221 5072 1 10 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.290 -1.217 18221 5073 1 10 . 1 1 65 65 ILE H H 56 7.561 7.561 8.579 -1.018 18221 5074 1 10 . 1 1 66 66 ALA N N 57 124.191 124.191 125.711 -1.520 18221 5075 1 10 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.216 -0.039 18221 5076 1 10 . 1 1 66 66 ALA C C 57 178.190 178.190 176.619 1.571 18221 5077 1 10 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.510 1.026 18221 5078 1 10 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.306 0.623 18221 5079 1 10 . 1 1 66 66 ALA H H 57 7.982 7.982 8.305 -0.323 18221 5080 1 10 . 1 1 67 67 ASN N N 58 116.132 116.132 122.465 -6.333 18221 5081 1 10 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.687 -0.014 18221 5082 1 10 . 1 1 67 67 ASN C C 58 176.344 176.344 175.158 1.186 18221 5083 1 10 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.842 -0.365 18221 5084 1 10 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.745 -1.273 18221 5085 1 10 . 1 1 67 67 ASN H H 58 8.113 8.113 8.212 -0.099 18221 5086 1 10 . 1 1 68 68 GLY N N 59 108.808 108.808 114.129 -5.321 18221 5087 1 10 . 1 1 68 68 GLY C C 59 174.958 174.958 173.957 1.001 18221 5088 1 10 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.693 -0.038 18221 5089 1 10 . 1 1 68 68 GLY H H 59 8.152 8.152 8.469 -0.317 18221 5090 1 10 . 1 1 69 69 GLY N N 60 108.832 108.832 110.597 -1.765 18221 5091 1 10 . 1 1 69 69 GLY C C 60 174.631 174.631 173.774 0.857 18221 5092 1 10 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.846 0.572 18221 5093 1 10 . 1 1 69 69 GLY H H 60 8.218 8.218 8.213 0.005 18221 5094 1 10 . 1 1 70 70 GLY N N 61 108.966 108.966 107.967 0.999 18221 5095 1 10 . 1 1 70 70 GLY C C 61 174.594 174.594 174.074 0.520 18221 5096 1 10 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.463 0.897 18221 5097 1 10 . 1 1 70 70 GLY H H 61 8.175 8.175 7.831 0.344 18221 5098 1 10 . 1 1 71 71 VAL N N 62 120.209 120.209 120.735 -0.526 18221 5099 1 10 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.655 0.351 18221 5100 1 10 . 1 1 71 71 VAL C C 62 176.077 176.077 177.690 -1.613 18221 5101 1 10 . 1 1 71 71 VAL CA C 62 62.390 62.390 64.287 -1.897 18221 5102 1 10 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.768 -0.070 18221 5103 1 10 . 1 1 71 71 VAL H H 62 7.882 7.882 8.230 -0.348 18221 5104 1 10 . 1 1 72 72 ALA N N 63 126.966 126.966 120.492 6.474 18221 5105 1 10 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.204 -0.178 18221 5106 1 10 . 1 1 72 72 ALA C C 63 178.064 178.064 176.838 1.226 18221 5107 1 10 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.244 -0.741 18221 5108 1 10 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.747 -0.521 18221 5109 1 10 . 1 1 72 72 ALA H H 63 8.237 8.237 7.877 0.360 18221 5110 1 10 . 1 1 73 73 ALA N N 64 123.432 123.432 121.373 2.059 18221 5111 1 10 . 1 1 73 73 ALA HA H 64 4.015 4.015 3.997 0.018 18221 5112 1 10 . 1 1 73 73 ALA C C 64 178.995 178.995 176.362 2.633 18221 5113 1 10 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.243 2.178 18221 5114 1 10 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.369 -0.366 18221 5115 1 10 . 1 1 73 73 ALA H H 64 8.421 8.421 8.217 0.204 18221 5116 1 10 . 1 1 74 74 GLY N N 65 105.577 105.577 108.271 -2.694 18221 5117 1 10 . 1 1 74 74 GLY C C 65 176.367 176.367 174.917 1.450 18221 5118 1 10 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.918 1.326 18221 5119 1 10 . 1 1 74 74 GLY H H 65 8.448 8.448 7.839 0.609 18221 5120 1 10 . 1 1 75 75 SER N N 66 117.656 117.656 117.429 0.227 18221 5121 1 10 . 1 1 75 75 SER HA H 66 4.394 4.394 4.188 0.206 18221 5122 1 10 . 1 1 75 75 SER C C 66 176.329 176.329 176.200 0.129 18221 5123 1 10 . 1 1 75 75 SER CA C 66 60.236 60.236 61.035 -0.799 18221 5124 1 10 . 1 1 75 75 SER CB C 66 62.476 62.476 62.974 -0.498 18221 5125 1 10 . 1 1 75 75 SER H H 66 7.899 7.899 8.613 -0.714 18221 5126 1 10 . 1 1 76 76 LEU N N 67 122.743 122.743 121.676 1.067 18221 5127 1 10 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.107 -0.057 18221 5128 1 10 . 1 1 76 76 LEU C C 67 178.442 178.442 178.559 -0.117 18221 5129 1 10 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.313 0.207 18221 5130 1 10 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.932 -0.251 18221 5131 1 10 . 1 1 76 76 LEU H H 67 7.955 7.955 7.847 0.108 18221 5132 1 10 . 1 1 77 77 VAL N N 68 118.400 118.400 119.874 -1.474 18221 5133 1 10 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.647 -0.176 18221 5134 1 10 . 1 1 77 77 VAL C C 68 177.297 177.297 177.817 -0.520 18221 5135 1 10 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.278 0.392 18221 5136 1 10 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.087 -0.567 18221 5137 1 10 . 1 1 77 77 VAL H H 68 8.039 8.039 8.282 -0.243 18221 5138 1 10 . 1 1 78 78 ALA N N 69 121.927 121.927 121.704 0.223 18221 5139 1 10 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.067 0.138 18221 5140 1 10 . 1 1 78 78 ALA C C 69 181.258 181.258 179.506 1.752 18221 5141 1 10 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.377 -0.395 18221 5142 1 10 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.090 -0.676 18221 5143 1 10 . 1 1 78 78 ALA H H 69 7.631 7.631 7.883 -0.252 18221 5144 1 10 . 1 1 79 79 ILE N N 70 119.782 119.782 120.245 -0.463 18221 5145 1 10 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.810 -0.014 18221 5146 1 10 . 1 1 79 79 ILE C C 70 178.253 178.253 178.129 0.124 18221 5147 1 10 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.545 -0.193 18221 5148 1 10 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.112 -0.039 18221 5149 1 10 . 1 1 79 79 ILE H H 70 7.841 7.841 7.177 0.664 18221 5150 1 10 . 1 1 80 80 LEU N N 71 120.841 120.841 119.621 1.220 18221 5151 1 10 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.914 0.023 18221 5152 1 10 . 1 1 80 80 LEU C C 71 179.234 179.234 179.326 -0.092 18221 5153 1 10 . 1 1 80 80 LEU CA C 71 57.845 57.845 57.900 -0.055 18221 5154 1 10 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.485 -0.466 18221 5155 1 10 . 1 1 80 80 LEU H H 71 8.190 8.190 8.581 -0.391 18221 5156 1 10 . 1 1 81 81 GLN N N 72 117.558 117.558 118.370 -0.812 18221 5157 1 10 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.950 0.019 18221 5158 1 10 . 1 1 81 81 GLN C C 72 178.530 178.530 178.983 -0.453 18221 5159 1 10 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.269 -0.450 18221 5160 1 10 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.654 -1.374 18221 5161 1 10 . 1 1 81 81 GLN H H 72 8.489 8.489 8.099 0.390 18221 5162 1 10 . 1 1 82 82 SER N N 73 116.103 116.103 115.911 0.192 18221 5163 1 10 . 1 1 82 82 SER HA H 73 4.233 4.233 4.243 -0.010 18221 5164 1 10 . 1 1 82 82 SER C C 73 177.243 177.243 176.941 0.302 18221 5165 1 10 . 1 1 82 82 SER CA C 73 61.044 61.044 61.828 -0.784 18221 5166 1 10 . 1 1 82 82 SER CB C 73 62.257 62.257 63.039 -0.782 18221 5167 1 10 . 1 1 82 82 SER H H 73 7.855 7.855 8.149 -0.294 18221 5168 1 10 . 1 1 83 83 VAL N N 74 120.362 120.362 121.489 -1.127 18221 5169 1 10 . 1 1 83 83 VAL C C 74 177.979 177.979 177.812 0.167 18221 5170 1 10 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.291 -1.185 18221 5171 1 10 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.021 -0.280 18221 5172 1 10 . 1 1 83 83 VAL H H 74 8.030 8.030 8.296 -0.266 18221 5173 1 10 . 1 1 84 84 GLY N N 75 108.223 108.223 106.187 2.036 18221 5174 1 10 . 1 1 84 84 GLY C C 75 174.913 174.913 175.589 -0.676 18221 5175 1 10 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.841 -0.064 18221 5176 1 10 . 1 1 84 84 GLY H H 75 8.369 8.369 7.943 0.426 18221 5177 1 10 . 1 1 85 85 ALA N N 76 123.550 123.550 124.658 -1.108 18221 5178 1 10 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.070 0.024 18221 5179 1 10 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.034 -0.436 18221 5180 1 10 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.240 -0.617 18221 5181 1 10 . 1 1 85 85 ALA H H 76 8.115 8.115 8.051 0.064 18221 5182 1 10 . 1 1 86 86 ALA N N 77 120.410 120.410 121.214 -0.804 18221 5183 1 10 . 1 1 86 86 ALA C C 77 178.988 178.988 179.696 -0.708 18221 5184 1 10 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.234 -0.398 18221 5185 1 10 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.958 -0.448 18221 5186 1 10 . 1 1 86 86 ALA H H 77 8.632 8.632 8.189 0.443 18221 5187 1 10 . 1 1 87 87 GLY N N 78 105.706 105.706 107.722 -2.016 18221 5188 1 10 . 1 1 87 87 GLY C C 78 175.939 175.939 176.297 -0.358 18221 5189 1 10 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.178 -1.060 18221 5190 1 10 . 1 1 87 87 GLY H H 78 8.196 8.196 7.886 0.310 18221 5191 1 10 . 1 1 88 88 LEU N N 79 124.128 124.128 121.979 2.149 18221 5192 1 10 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.206 0.196 18221 5193 1 10 . 1 1 88 88 LEU CB C 79 40.387 40.387 40.651 -0.264 18221 5194 1 10 . 1 1 88 88 LEU H H 79 8.449 8.449 8.208 0.241 18221 5195 1 10 . 1 1 89 89 SER N N 80 116.251 116.251 115.490 0.761 18221 5196 1 10 . 1 1 89 89 SER C C 80 179.153 179.153 176.799 2.354 18221 5197 1 10 . 1 1 89 89 SER CA C 80 61.023 61.023 62.225 -1.202 18221 5198 1 10 . 1 1 89 89 SER CB C 80 62.255 62.255 62.885 -0.630 18221 5199 1 10 . 1 1 89 89 SER H H 80 8.120 8.120 8.317 -0.197 18221 5200 1 10 . 1 1 90 90 VAL N N 81 119.310 119.310 121.662 -2.352 18221 5201 1 10 . 1 1 90 90 VAL C C 81 177.652 177.652 177.852 -0.200 18221 5202 1 10 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.417 -0.341 18221 5203 1 10 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.806 -0.476 18221 5204 1 10 . 1 1 90 90 VAL H H 81 7.955 7.955 8.304 -0.349 18221 5205 1 10 . 1 1 91 91 THR N N 82 115.535 115.535 116.174 -0.639 18221 5206 1 10 . 1 1 91 91 THR C C 82 176.571 176.571 176.492 0.079 18221 5207 1 10 . 1 1 91 91 THR CA C 82 66.434 66.434 67.627 -1.194 18221 5208 1 10 . 1 1 91 91 THR CB C 82 67.742 67.742 68.648 -0.906 18221 5209 1 10 . 1 1 91 91 THR H H 82 7.888 7.888 8.322 -0.434 18221 5210 1 10 . 1 1 92 92 SER N N 83 116.537 116.537 117.822 -1.285 18221 5211 1 10 . 1 1 92 92 SER HA H 83 4.040 4.040 3.782 0.258 18221 5212 1 10 . 1 1 92 92 SER C C 83 176.761 176.761 176.373 0.388 18221 5213 1 10 . 1 1 92 92 SER CA C 83 61.564 61.564 62.177 -0.613 18221 5214 1 10 . 1 1 92 92 SER CB C 83 62.009 62.009 62.615 -0.606 18221 5215 1 10 . 1 1 92 92 SER H H 83 8.212 8.212 8.023 0.189 18221 5216 1 10 . 1 1 93 93 LYS N N 84 122.353 122.353 121.365 0.988 18221 5217 1 10 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.883 0.236 18221 5218 1 10 . 1 1 93 93 LYS C C 84 172.812 172.812 179.038 -6.226 18221 5219 1 10 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.513 -1.078 18221 5220 1 10 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.504 -1.027 18221 5221 1 10 . 1 1 93 93 LYS H H 84 7.642 7.642 7.950 -0.308 18221 5222 1 10 . 1 1 94 94 VAL N N 85 119.348 119.348 118.148 1.200 18221 5223 1 10 . 1 1 94 94 VAL C C 85 177.948 177.948 177.605 0.343 18221 5224 1 10 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.989 -0.600 18221 5225 1 10 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.680 0.166 18221 5226 1 10 . 1 1 94 94 VAL H H 85 8.414 8.414 7.981 0.433 18221 5227 1 10 . 1 1 95 95 ILE N N 86 118.769 118.769 116.761 2.008 18221 5228 1 10 . 1 1 95 95 ILE C C 86 177.972 177.972 175.644 2.328 18221 5229 1 10 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.648 0.189 18221 5230 1 10 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.884 -2.252 18221 5231 1 10 . 1 1 95 95 ILE H H 86 8.169 8.169 7.554 0.615 18221 5232 1 10 . 1 1 96 96 GLY N N 87 107.955 107.955 104.087 3.868 18221 5233 1 10 . 1 1 96 96 GLY C C 87 176.571 176.571 172.907 3.664 18221 5234 1 10 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.441 2.070 18221 5235 1 10 . 1 1 96 96 GLY H H 87 8.182 8.182 7.952 0.230 18221 5236 1 10 . 1 1 97 97 GLY N N 88 109.117 109.117 108.992 0.125 18221 5237 1 10 . 1 1 97 97 GLY C C 88 175.524 175.524 175.221 0.303 18221 5238 1 10 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.121 0.711 18221 5239 1 10 . 1 1 97 97 GLY H H 88 7.953 7.953 8.424 -0.471 18221 5240 1 10 . 1 1 98 98 PHE N N 89 121.100 121.100 121.085 0.015 18221 5241 1 10 . 1 1 98 98 PHE C C 89 176.367 176.367 175.867 0.500 18221 5242 1 10 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.530 -2.630 18221 5243 1 10 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.119 0.713 18221 5244 1 10 . 1 1 98 98 PHE H H 89 8.000 8.000 8.234 -0.234 18221 5245 1 10 . 1 1 99 99 ALA N N 90 122.834 122.834 127.175 -4.341 18221 5246 1 10 . 1 1 99 99 ALA C C 90 178.348 178.348 176.910 1.438 18221 5247 1 10 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.159 3.118 18221 5248 1 10 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.865 -2.451 18221 5249 1 10 . 1 1 99 99 ALA H H 90 8.322 8.322 8.451 -0.129 18221 5250 1 10 . 1 1 100 100 GLY N N 91 106.688 106.688 110.612 -3.924 18221 5251 1 10 . 1 1 100 100 GLY C C 91 175.878 175.878 174.871 1.007 18221 5252 1 10 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.461 0.165 18221 5253 1 10 . 1 1 100 100 GLY H H 91 8.000 8.000 8.625 -0.625 18221 5254 1 10 . 1 1 101 101 THR N N 92 115.689 115.689 114.665 1.024 18221 5255 1 10 . 1 1 101 101 THR C C 92 178.476 178.476 173.611 4.865 18221 5256 1 10 . 1 1 101 101 THR CA C 92 63.364 63.364 61.826 1.538 18221 5257 1 10 . 1 1 101 101 THR CB C 92 69.619 69.619 68.428 1.191 18221 5258 1 10 . 1 1 101 101 THR H H 92 7.754 7.754 8.002 -0.248 18221 5259 1 10 . 1 1 102 102 ALA N N 93 124.835 124.835 128.555 -3.720 18221 5260 1 10 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.421 2.890 18221 5261 1 10 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.939 -1.260 18221 5262 1 10 . 1 1 102 102 ALA H H 93 7.919 7.919 8.303 -0.384 18221 5263 1 10 . 1 1 103 103 LEU N N 94 117.445 117.445 123.445 -6.000 18221 5264 1 10 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.005 0.777 18221 5265 1 10 . 1 1 103 103 LEU CB C 94 40.902 40.902 42.323 -1.421 18221 5266 1 10 . 1 1 103 103 LEU H H 94 8.037 8.037 8.482 -0.445 18221 5267 1 10 . 1 1 104 104 GLY N N 95 106.296 106.296 109.425 -3.129 18221 5268 1 10 . 1 1 104 104 GLY C C 95 175.851 175.851 173.479 2.372 18221 5269 1 10 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.603 1.967 18221 5270 1 10 . 1 1 104 104 GLY H H 95 7.900 7.900 8.096 -0.196 18221 5271 1 10 . 1 1 105 105 ALA N N 96 123.872 123.872 125.380 -1.508 18221 5272 1 10 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.371 2.755 18221 5273 1 10 . 1 1 105 105 ALA CB C 96 17.587 17.587 17.746 -0.159 18221 5274 1 10 . 1 1 105 105 ALA H H 96 7.804 7.804 8.263 -0.459 18221 5275 1 10 . 1 1 106 106 TRP N N 97 120.348 120.348 120.240 0.108 18221 5276 1 10 . 1 1 106 106 TRP C C 97 176.857 176.857 174.976 1.881 18221 5277 1 10 . 1 1 106 106 TRP CA C 97 56.900 56.900 58.140 -1.240 18221 5278 1 10 . 1 1 106 106 TRP H H 97 8.385 8.385 7.661 0.724 18221 5279 1 10 . 1 1 107 107 LEU N N 98 117.756 117.756 124.864 -7.108 18221 5280 1 10 . 1 1 107 107 LEU C C 98 177.659 177.659 174.548 3.111 18221 5281 1 10 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.408 -0.305 18221 5282 1 10 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.038 -1.620 18221 5283 1 10 . 1 1 107 107 LEU H H 98 7.880 7.880 8.739 -0.859 18221 5284 1 10 . 1 1 108 108 GLY N N 99 107.285 107.285 109.033 -1.748 18221 5285 1 10 . 1 1 108 108 GLY C C 99 173.815 173.815 173.597 0.218 18221 5286 1 10 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.384 -0.437 18221 5287 1 10 . 1 1 108 108 GLY H H 99 7.694 7.694 7.958 -0.264 18221 5288 1 10 . 1 1 109 109 SER N N 100 117.139 117.139 121.123 -3.984 18221 5289 1 10 . 1 1 109 109 SER C C 100 172.179 172.179 173.760 -1.581 18221 5290 1 10 . 1 1 109 109 SER CA C 100 56.015 56.015 56.885 -0.870 18221 5291 1 10 . 1 1 109 109 SER CB C 100 62.771 62.771 62.950 -0.179 18221 5292 1 10 . 1 1 109 109 SER H H 100 8.030 8.030 8.193 -0.163 18221 5293 1 10 . 1 1 111 111 PRO C C 102 177.073 177.073 176.663 0.410 18221 5294 1 10 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.452 -1.253 18221 5295 1 10 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.932 -0.721 18221 5296 1 10 . 1 1 112 112 SER N N 103 117.115 117.115 115.061 2.054 18221 5297 1 10 . 1 1 112 112 SER C C 103 173.898 173.898 174.160 -0.262 18221 5298 1 10 . 1 1 112 112 SER CA C 103 57.904 57.904 58.563 -0.659 18221 5299 1 10 . 1 1 112 112 SER CB C 103 63.360 63.360 62.771 0.589 18221 5300 1 10 . 1 1 112 112 SER H H 103 8.345 8.345 8.444 -0.099 18221 5301 1 11 . 1 1 11 11 GLY N N 2 109.366 109.366 110.792 -1.426 18221 5302 1 11 . 1 1 11 11 GLY C C 2 174.543 174.543 174.069 0.474 18221 5303 1 11 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.066 0.629 18221 5304 1 11 . 1 1 11 11 GLY H H 2 8.271 8.271 8.312 -0.041 18221 5305 1 11 . 1 1 12 12 LYS N N 3 121.129 121.129 122.115 -0.986 18221 5306 1 11 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.145 -0.013 18221 5307 1 11 . 1 1 12 12 LYS C C 3 177.234 177.234 177.577 -0.343 18221 5308 1 11 . 1 1 12 12 LYS CA C 3 56.812 56.812 57.683 -0.871 18221 5309 1 11 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.716 -0.870 18221 5310 1 11 . 1 1 12 12 LYS H H 3 8.057 8.057 8.128 -0.071 18221 5311 1 11 . 1 1 13 13 GLU N N 4 120.318 120.318 118.301 2.017 18221 5312 1 11 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.246 -0.091 18221 5313 1 11 . 1 1 13 13 GLU C C 4 176.857 176.857 177.321 -0.464 18221 5314 1 11 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.748 -0.877 18221 5315 1 11 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.275 -1.887 18221 5316 1 11 . 1 1 13 13 GLU H H 4 8.398 8.398 8.661 -0.263 18221 5317 1 11 . 1 1 14 14 SER N N 5 115.504 115.504 113.372 2.132 18221 5318 1 11 . 1 1 14 14 SER HA H 5 3.843 3.843 4.552 -0.709 18221 5319 1 11 . 1 1 14 14 SER C C 5 175.337 175.337 174.366 0.971 18221 5320 1 11 . 1 1 14 14 SER CA C 5 58.524 58.524 58.581 -0.057 18221 5321 1 11 . 1 1 14 14 SER CB C 5 63.360 63.360 64.694 -1.333 18221 5322 1 11 . 1 1 14 14 SER H H 5 8.089 8.089 8.437 -0.348 18221 5323 1 11 . 1 1 15 15 GLY N N 6 110.761 110.761 108.697 2.064 18221 5324 1 11 . 1 1 15 15 GLY C C 6 174.581 174.581 173.262 1.319 18221 5325 1 11 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.359 0.207 18221 5326 1 11 . 1 1 15 15 GLY H H 6 8.197 8.197 7.956 0.241 18221 5327 1 11 . 1 1 16 16 TRP N N 7 121.800 121.800 121.349 0.451 18221 5328 1 11 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.253 0.307 18221 5329 1 11 . 1 1 16 16 TRP C C 7 176.920 176.920 175.660 1.260 18221 5330 1 11 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.822 0.259 18221 5331 1 11 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.151 -0.472 18221 5332 1 11 . 1 1 16 16 TRP H H 7 8.184 8.184 8.281 -0.097 18221 5333 1 11 . 1 1 17 17 ASP N N 8 121.132 121.132 122.174 -1.042 18221 5334 1 11 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.420 -0.025 18221 5335 1 11 . 1 1 17 17 ASP C C 8 176.941 176.941 174.444 2.497 18221 5336 1 11 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.107 1.137 18221 5337 1 11 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.159 -1.214 18221 5338 1 11 . 1 1 17 17 ASP H H 8 8.332 8.332 8.328 0.004 18221 5339 1 11 . 1 1 18 18 SER N N 9 116.148 116.148 115.364 0.784 18221 5340 1 11 . 1 1 18 18 SER HA H 9 3.861 3.861 4.650 -0.789 18221 5341 1 11 . 1 1 18 18 SER CA C 9 60.081 60.081 57.351 2.730 18221 5342 1 11 . 1 1 18 18 SER CB C 9 62.255 62.255 65.075 -2.820 18221 5343 1 11 . 1 1 18 18 SER H H 9 8.129 8.129 8.474 -0.345 18221 5344 1 11 . 1 1 19 19 GLY N N 10 110.747 110.747 109.161 1.586 18221 5345 1 11 . 1 1 19 19 GLY C C 10 174.682 174.682 175.855 -1.173 18221 5346 1 11 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.005 1.595 18221 5347 1 11 . 1 1 19 19 GLY H H 10 8.216 8.216 8.421 -0.205 18221 5348 1 11 . 1 1 20 20 ARG N N 11 121.405 121.405 120.319 1.086 18221 5349 1 11 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.004 -0.147 18221 5350 1 11 . 1 1 20 20 ARG C C 11 178.328 178.328 178.817 -0.489 18221 5351 1 11 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.659 0.426 18221 5352 1 11 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.700 -0.653 18221 5353 1 11 . 1 1 20 20 ARG H H 11 8.158 8.158 8.559 -0.401 18221 5354 1 11 . 1 1 21 21 ALA N N 12 122.167 122.167 119.960 2.207 18221 5355 1 11 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.050 0.050 18221 5356 1 11 . 1 1 21 21 ALA C C 12 180.129 180.129 179.249 0.880 18221 5357 1 11 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.745 -0.353 18221 5358 1 11 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.984 -0.570 18221 5359 1 11 . 1 1 21 21 ALA H H 12 7.963 7.963 8.514 -0.551 18221 5360 1 11 . 1 1 22 22 ALA N N 13 122.150 122.150 121.728 0.422 18221 5361 1 11 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.924 0.113 18221 5362 1 11 . 1 1 22 22 ALA C C 13 179.095 179.095 179.766 -0.671 18221 5363 1 11 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.074 -0.358 18221 5364 1 11 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.894 -0.333 18221 5365 1 11 . 1 1 22 22 ALA H H 13 7.881 7.881 7.497 0.384 18221 5366 1 11 . 1 1 23 23 VAL N N 14 117.107 117.107 118.650 -1.543 18221 5367 1 11 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.601 -0.121 18221 5368 1 11 . 1 1 23 23 VAL C C 14 177.586 177.586 178.278 -0.692 18221 5369 1 11 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.512 0.686 18221 5370 1 11 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.620 -0.100 18221 5371 1 11 . 1 1 23 23 VAL H H 14 7.888 7.888 8.168 -0.280 18221 5372 1 11 . 1 1 24 24 ALA N N 15 121.333 121.333 121.965 -0.632 18221 5373 1 11 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.989 -0.008 18221 5374 1 11 . 1 1 24 24 ALA C C 15 180.373 180.373 179.481 0.892 18221 5375 1 11 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.153 -0.142 18221 5376 1 11 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.916 -0.664 18221 5377 1 11 . 1 1 24 24 ALA H H 15 8.037 8.037 7.601 0.436 18221 5378 1 11 . 1 1 25 25 ALA N N 16 121.158 121.158 119.405 1.753 18221 5379 1 11 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.119 0.027 18221 5380 1 11 . 1 1 25 25 ALA C C 16 179.828 179.828 179.142 0.686 18221 5381 1 11 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.529 -0.078 18221 5382 1 11 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.382 -0.895 18221 5383 1 11 . 1 1 25 25 ALA H H 16 7.819 7.819 7.859 -0.040 18221 5384 1 11 . 1 1 26 26 VAL N N 17 118.417 118.417 115.471 2.946 18221 5385 1 11 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.887 -0.109 18221 5386 1 11 . 1 1 26 26 VAL C C 17 178.020 178.020 176.795 1.225 18221 5387 1 11 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.007 1.571 18221 5388 1 11 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.044 -0.959 18221 5389 1 11 . 1 1 26 26 VAL H H 17 7.848 7.848 7.242 0.606 18221 5390 1 11 . 1 1 27 27 VAL N N 18 119.240 119.240 119.138 0.102 18221 5391 1 11 . 1 1 27 27 VAL C C 18 177.719 177.719 176.147 1.572 18221 5392 1 11 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.473 2.518 18221 5393 1 11 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.543 -2.356 18221 5394 1 11 . 1 1 27 27 VAL H H 18 8.377 8.377 7.378 0.999 18221 5395 1 11 . 1 1 28 28 GLY N N 19 106.009 106.009 106.999 -0.990 18221 5396 1 11 . 1 1 28 28 GLY C C 19 176.212 176.212 174.214 1.998 18221 5397 1 11 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.207 0.037 18221 5398 1 11 . 1 1 28 28 GLY H H 19 8.122 8.122 7.487 0.635 18221 5399 1 11 . 1 1 29 29 GLY N N 20 110.216 110.216 113.644 -3.428 18221 5400 1 11 . 1 1 29 29 GLY C C 20 174.097 174.097 175.438 -1.341 18221 5401 1 11 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.680 1.654 18221 5402 1 11 . 1 1 29 29 GLY H H 20 8.039 8.039 7.875 0.165 18221 5403 1 11 . 1 1 30 30 VAL N N 21 121.188 121.188 118.740 2.448 18221 5404 1 11 . 1 1 30 30 VAL C C 21 177.073 177.073 177.023 0.050 18221 5405 1 11 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.526 -2.952 18221 5406 1 11 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.396 -0.606 18221 5407 1 11 . 1 1 30 30 VAL H H 21 7.983 7.983 7.706 0.277 18221 5408 1 11 . 1 1 32 32 ALA N N 23 125.091 125.091 121.387 3.704 18221 5409 1 11 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.145 0.115 18221 5410 1 11 . 1 1 32 32 ALA C C 23 179.523 179.523 180.232 -0.709 18221 5411 1 11 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.179 -1.496 18221 5412 1 11 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.153 -1.770 18221 5413 1 11 . 1 1 32 32 ALA H H 23 8.036 8.036 8.371 -0.335 18221 5414 1 11 . 1 1 33 33 VAL N N 24 118.793 118.793 117.670 1.123 18221 5415 1 11 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.755 -0.047 18221 5416 1 11 . 1 1 33 33 VAL C C 24 177.901 177.901 178.434 -0.533 18221 5417 1 11 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.992 0.438 18221 5418 1 11 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.656 0.662 18221 5419 1 11 . 1 1 33 33 VAL H H 24 8.195 8.195 8.162 0.033 18221 5420 1 11 . 1 1 34 34 GLY N N 25 108.367 108.367 108.704 -0.337 18221 5421 1 11 . 1 1 34 34 GLY C C 25 175.424 175.424 175.829 -0.405 18221 5422 1 11 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.567 -0.233 18221 5423 1 11 . 1 1 34 34 GLY H H 25 8.651 8.651 8.419 0.232 18221 5424 1 11 . 1 1 35 35 THR N N 26 116.448 116.448 119.990 -3.542 18221 5425 1 11 . 1 1 35 35 THR C C 26 176.843 176.843 176.932 -0.089 18221 5426 1 11 . 1 1 35 35 THR CA C 26 65.962 65.962 67.068 -1.106 18221 5427 1 11 . 1 1 35 35 THR CB C 26 68.414 68.414 68.851 -0.437 18221 5428 1 11 . 1 1 35 35 THR H H 26 7.975 7.975 8.233 -0.258 18221 5429 1 11 . 1 1 36 36 VAL N N 27 122.810 122.810 121.633 1.177 18221 5430 1 11 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.553 0.166 18221 5431 1 11 . 1 1 36 36 VAL C C 27 177.618 177.618 177.431 0.187 18221 5432 1 11 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.938 -1.212 18221 5433 1 11 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.725 -1.058 18221 5434 1 11 . 1 1 36 36 VAL H H 27 7.559 7.559 7.992 -0.433 18221 5435 1 11 . 1 1 37 37 LEU N N 28 119.566 119.566 120.145 -0.579 18221 5436 1 11 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.805 0.148 18221 5437 1 11 . 1 1 37 37 LEU C C 28 179.666 179.666 179.037 0.629 18221 5438 1 11 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.466 -0.621 18221 5439 1 11 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.837 -1.671 18221 5440 1 11 . 1 1 37 37 LEU H H 28 8.086 8.086 7.818 0.268 18221 5441 1 11 . 1 1 38 38 VAL N N 29 119.468 119.468 118.085 1.383 18221 5442 1 11 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.502 0.151 18221 5443 1 11 . 1 1 38 38 VAL C C 29 178.639 178.639 178.245 0.394 18221 5444 1 11 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.154 -0.681 18221 5445 1 11 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.774 -0.165 18221 5446 1 11 . 1 1 38 38 VAL H H 29 8.066 8.066 8.122 -0.056 18221 5447 1 11 . 1 1 39 39 ALA N N 30 124.255 124.255 121.261 2.994 18221 5448 1 11 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.039 0.126 18221 5449 1 11 . 1 1 39 39 ALA C C 30 180.303 180.303 179.530 0.773 18221 5450 1 11 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.184 -0.350 18221 5451 1 11 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.332 -0.624 18221 5452 1 11 . 1 1 39 39 ALA H H 30 7.688 7.688 7.965 -0.277 18221 5453 1 11 . 1 1 40 40 LEU N N 31 118.268 118.268 119.022 -0.754 18221 5454 1 11 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.086 0.055 18221 5455 1 11 . 1 1 40 40 LEU C C 31 179.271 179.271 178.677 0.594 18221 5456 1 11 . 1 1 40 40 LEU CA C 31 57.078 57.078 56.923 0.155 18221 5457 1 11 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.841 0.061 18221 5458 1 11 . 1 1 40 40 LEU H H 31 8.326 8.326 7.894 0.432 18221 5459 1 11 . 1 1 41 41 SER N N 32 114.984 114.984 113.634 1.350 18221 5460 1 11 . 1 1 41 41 SER HA H 32 3.952 3.952 4.130 -0.178 18221 5461 1 11 . 1 1 41 41 SER C C 32 176.284 176.284 175.037 1.247 18221 5462 1 11 . 1 1 41 41 SER CA C 32 60.885 60.885 60.740 0.144 18221 5463 1 11 . 1 1 41 41 SER CB C 32 62.410 62.410 63.552 -1.142 18221 5464 1 11 . 1 1 41 41 SER H H 32 8.062 8.062 8.176 -0.114 18221 5465 1 11 . 1 1 42 42 ALA N N 33 124.588 124.588 119.395 5.193 18221 5466 1 11 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.370 -0.145 18221 5467 1 11 . 1 1 42 42 ALA C C 33 179.033 179.033 175.865 3.168 18221 5468 1 11 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.506 2.207 18221 5469 1 11 . 1 1 42 42 ALA CB C 33 17.929 17.929 20.461 -2.532 18221 5470 1 11 . 1 1 42 42 ALA H H 33 7.813 7.813 7.810 0.003 18221 5471 1 11 . 1 1 43 43 MET N N 34 116.808 116.808 116.311 0.497 18221 5472 1 11 . 1 1 43 43 MET HA H 34 4.285 4.285 4.416 -0.131 18221 5473 1 11 . 1 1 43 43 MET C C 34 176.807 176.807 176.362 0.445 18221 5474 1 11 . 1 1 43 43 MET CA C 34 56.576 56.576 56.301 0.275 18221 5475 1 11 . 1 1 43 43 MET CB C 34 32.435 32.435 33.669 -1.234 18221 5476 1 11 . 1 1 43 43 MET H H 34 7.691 7.691 8.313 -0.622 18221 5477 1 11 . 1 1 44 44 GLY N N 35 107.020 107.020 108.225 -1.205 18221 5478 1 11 . 1 1 44 44 GLY C C 35 174.493 174.493 174.632 -0.139 18221 5479 1 11 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.508 -0.443 18221 5480 1 11 . 1 1 44 44 GLY H H 35 7.793 7.793 8.189 -0.396 18221 5481 1 11 . 1 1 45 45 PHE N N 36 120.285 120.285 116.637 3.648 18221 5482 1 11 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.738 -0.231 18221 5483 1 11 . 1 1 45 45 PHE C C 36 176.876 176.876 173.987 2.889 18221 5484 1 11 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.754 1.183 18221 5485 1 11 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.397 -0.218 18221 5486 1 11 . 1 1 45 45 PHE H H 36 8.215 8.215 7.295 0.920 18221 5487 1 11 . 1 1 46 46 THR N N 37 114.008 114.008 117.062 -3.054 18221 5488 1 11 . 1 1 46 46 THR HA H 37 4.080 4.080 4.507 -0.427 18221 5489 1 11 . 1 1 46 46 THR C C 37 175.751 175.751 174.278 1.473 18221 5490 1 11 . 1 1 46 46 THR CA C 37 64.220 64.220 61.204 3.016 18221 5491 1 11 . 1 1 46 46 THR CB C 37 68.514 68.514 68.957 -0.443 18221 5492 1 11 . 1 1 46 46 THR H H 37 8.111 8.111 7.526 0.585 18221 5493 1 11 . 1 1 47 47 SER N N 38 116.646 116.646 122.322 -5.676 18221 5494 1 11 . 1 1 47 47 SER HA H 38 3.918 3.918 4.395 -0.477 18221 5495 1 11 . 1 1 47 47 SER C C 38 176.744 176.744 174.799 1.945 18221 5496 1 11 . 1 1 47 47 SER CA C 38 59.911 59.911 59.107 0.804 18221 5497 1 11 . 1 1 47 47 SER CB C 38 62.624 62.624 63.688 -1.064 18221 5498 1 11 . 1 1 47 47 SER H H 38 8.079 8.079 8.445 -0.366 18221 5499 1 11 . 1 1 48 48 VAL N N 39 121.929 121.929 119.497 2.432 18221 5500 1 11 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.879 0.030 18221 5501 1 11 . 1 1 48 48 VAL C C 39 177.033 177.033 177.477 -0.444 18221 5502 1 11 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.986 0.002 18221 5503 1 11 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.057 -0.390 18221 5504 1 11 . 1 1 48 48 VAL H H 39 7.985 7.985 8.052 -0.067 18221 5505 1 11 . 1 1 49 49 GLY N N 40 108.633 108.633 108.940 -0.307 18221 5506 1 11 . 1 1 49 49 GLY C C 40 176.038 176.038 176.131 -0.093 18221 5507 1 11 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.409 -0.544 18221 5508 1 11 . 1 1 49 49 GLY H H 40 8.267 8.267 8.358 -0.091 18221 5509 1 11 . 1 1 50 50 ILE N N 41 122.466 122.466 122.309 0.157 18221 5510 1 11 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.694 0.177 18221 5511 1 11 . 1 1 50 50 ILE C C 41 178.363 178.363 177.316 1.047 18221 5512 1 11 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.058 -0.544 18221 5513 1 11 . 1 1 50 50 ILE CB C 41 37.238 37.238 38.014 -0.776 18221 5514 1 11 . 1 1 50 50 ILE H H 41 7.865 7.865 7.810 0.055 18221 5515 1 11 . 1 1 51 51 ALA N N 42 125.064 125.064 120.894 4.170 18221 5516 1 11 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.874 0.225 18221 5517 1 11 . 1 1 51 51 ALA C C 42 179.385 179.385 179.377 0.008 18221 5518 1 11 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.250 -0.770 18221 5519 1 11 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.845 -0.358 18221 5520 1 11 . 1 1 51 51 ALA H H 42 7.930 7.930 7.764 0.166 18221 5521 1 11 . 1 1 52 52 ALA N N 43 120.594 120.594 120.234 0.360 18221 5522 1 11 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.981 -0.044 18221 5523 1 11 . 1 1 52 52 ALA C C 43 179.088 179.088 180.039 -0.951 18221 5524 1 11 . 1 1 52 52 ALA CA C 43 55.100 55.100 55.013 0.087 18221 5525 1 11 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.090 -0.455 18221 5526 1 11 . 1 1 52 52 ALA H H 43 8.639 8.639 8.177 0.462 18221 5527 1 11 . 1 1 53 53 SER N N 44 113.012 113.012 115.204 -2.192 18221 5528 1 11 . 1 1 53 53 SER HA H 44 3.966 3.966 4.203 -0.237 18221 5529 1 11 . 1 1 53 53 SER C C 44 176.898 176.898 176.860 0.038 18221 5530 1 11 . 1 1 53 53 SER CA C 44 61.139 61.139 62.009 -0.870 18221 5531 1 11 . 1 1 53 53 SER CB C 44 62.347 62.347 62.646 -0.299 18221 5532 1 11 . 1 1 53 53 SER H H 44 8.193 8.193 8.274 -0.081 18221 5533 1 11 . 1 1 54 54 SER N N 45 118.714 118.714 118.413 0.301 18221 5534 1 11 . 1 1 54 54 SER HA H 45 3.975 3.975 4.145 -0.170 18221 5535 1 11 . 1 1 54 54 SER C C 45 177.131 177.131 176.434 0.697 18221 5536 1 11 . 1 1 54 54 SER CA C 45 61.210 61.210 61.614 -0.404 18221 5537 1 11 . 1 1 54 54 SER CB C 45 62.255 62.255 62.696 -0.441 18221 5538 1 11 . 1 1 54 54 SER H H 45 7.944 7.944 7.954 -0.010 18221 5539 1 11 . 1 1 55 55 ILE N N 46 122.912 122.912 121.556 1.356 18221 5540 1 11 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.646 0.111 18221 5541 1 11 . 1 1 55 55 ILE C C 46 177.813 177.813 177.702 0.111 18221 5542 1 11 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.859 -0.668 18221 5543 1 11 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.798 -0.872 18221 5544 1 11 . 1 1 55 55 ILE H H 46 8.028 8.028 8.462 -0.434 18221 5545 1 11 . 1 1 56 56 ALA N N 47 122.990 122.990 122.027 0.963 18221 5546 1 11 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.993 -0.037 18221 5547 1 11 . 1 1 56 56 ALA C C 47 180.294 180.294 178.996 1.298 18221 5548 1 11 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.406 -0.067 18221 5549 1 11 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.658 -0.956 18221 5550 1 11 . 1 1 56 56 ALA H H 47 8.333 8.333 7.801 0.532 18221 5551 1 11 . 1 1 57 57 ALA N N 48 121.988 121.988 121.804 0.184 18221 5552 1 11 . 1 1 57 57 ALA HA H 48 4.068 4.068 3.976 0.092 18221 5553 1 11 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.953 1.468 18221 5554 1 11 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.483 -1.781 18221 5555 1 11 . 1 1 57 57 ALA H H 48 7.879 7.879 7.873 0.006 18221 5556 1 11 . 1 1 58 58 LYS N N 49 119.094 119.094 116.722 2.372 18221 5557 1 11 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.985 0.162 18221 5558 1 11 . 1 1 58 58 LYS C C 49 179.649 179.649 175.122 4.527 18221 5559 1 11 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.463 0.694 18221 5560 1 11 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.997 -0.667 18221 5561 1 11 . 1 1 58 58 LYS H H 49 7.727 7.727 8.075 -0.348 18221 5562 1 11 . 1 1 59 59 MET N N 50 120.498 120.498 119.908 0.590 18221 5563 1 11 . 1 1 59 59 MET HA H 50 4.156 4.156 4.114 0.042 18221 5564 1 11 . 1 1 59 59 MET C C 50 177.949 177.949 174.773 3.176 18221 5565 1 11 . 1 1 59 59 MET CA C 50 57.136 57.136 56.249 0.887 18221 5566 1 11 . 1 1 59 59 MET CB C 50 31.922 31.922 32.230 -0.307 18221 5567 1 11 . 1 1 59 59 MET H H 50 8.395 8.395 8.445 -0.050 18221 5568 1 11 . 1 1 60 60 MET N N 51 117.689 117.689 124.153 -6.464 18221 5569 1 11 . 1 1 60 60 MET HA H 51 4.222 4.222 4.621 -0.399 18221 5570 1 11 . 1 1 60 60 MET C C 51 177.674 177.674 175.213 2.461 18221 5571 1 11 . 1 1 60 60 MET CA C 51 57.638 57.638 54.935 2.703 18221 5572 1 11 . 1 1 60 60 MET CB C 51 31.785 31.785 33.079 -1.294 18221 5573 1 11 . 1 1 60 60 MET H H 51 8.234 8.234 8.108 0.126 18221 5574 1 11 . 1 1 61 61 SER N N 52 114.385 114.385 119.158 -4.773 18221 5575 1 11 . 1 1 61 61 SER HA H 52 4.001 4.001 4.296 -0.295 18221 5576 1 11 . 1 1 61 61 SER C C 52 176.079 176.079 173.444 2.635 18221 5577 1 11 . 1 1 61 61 SER CA C 52 59.911 59.911 59.273 0.638 18221 5578 1 11 . 1 1 61 61 SER CB C 52 62.624 62.624 63.023 -0.399 18221 5579 1 11 . 1 1 61 61 SER H H 52 7.893 7.893 8.408 -0.515 18221 5580 1 11 . 1 1 62 62 THR N N 53 117.304 117.304 115.229 2.075 18221 5581 1 11 . 1 1 62 62 THR HA H 53 4.104 4.104 4.978 -0.874 18221 5582 1 11 . 1 1 62 62 THR C C 53 175.436 175.436 172.671 2.765 18221 5583 1 11 . 1 1 62 62 THR CA C 53 64.220 64.220 61.663 2.557 18221 5584 1 11 . 1 1 62 62 THR CB C 53 68.514 68.514 70.178 -1.664 18221 5585 1 11 . 1 1 62 62 THR H H 53 7.794 7.794 8.251 -0.457 18221 5586 1 11 . 1 1 63 63 ALA N N 54 125.382 125.382 126.706 -1.324 18221 5587 1 11 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.470 -0.376 18221 5588 1 11 . 1 1 63 63 ALA C C 54 178.328 178.328 175.548 2.780 18221 5589 1 11 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.293 1.803 18221 5590 1 11 . 1 1 63 63 ALA CB C 54 17.708 17.708 20.161 -2.453 18221 5591 1 11 . 1 1 63 63 ALA H H 54 8.204 8.204 8.494 -0.290 18221 5592 1 11 . 1 1 64 64 ALA N N 55 119.929 119.929 123.029 -3.100 18221 5593 1 11 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.200 -0.075 18221 5594 1 11 . 1 1 64 64 ALA C C 55 179.183 179.183 178.681 0.502 18221 5595 1 11 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.250 1.787 18221 5596 1 11 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.338 -1.630 18221 5597 1 11 . 1 1 64 64 ALA H H 55 7.951 7.951 8.183 -0.232 18221 5598 1 11 . 1 1 65 65 ILE N N 56 117.016 117.016 118.718 -1.702 18221 5599 1 11 . 1 1 65 65 ILE HA H 56 3.950 3.950 3.644 0.306 18221 5600 1 11 . 1 1 65 65 ILE C C 56 177.222 177.222 175.897 1.325 18221 5601 1 11 . 1 1 65 65 ILE CA C 56 62.184 62.184 63.547 -1.363 18221 5602 1 11 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.264 -1.191 18221 5603 1 11 . 1 1 65 65 ILE H H 56 7.561 7.561 8.880 -1.319 18221 5604 1 11 . 1 1 66 66 ALA N N 57 124.191 124.191 118.345 5.846 18221 5605 1 11 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.180 -0.003 18221 5606 1 11 . 1 1 66 66 ALA C C 57 178.190 178.190 176.162 2.028 18221 5607 1 11 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.837 1.700 18221 5608 1 11 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.335 -1.407 18221 5609 1 11 . 1 1 66 66 ALA H H 57 7.982 7.982 7.863 0.119 18221 5610 1 11 . 1 1 67 67 ASN N N 58 116.132 116.132 121.626 -5.494 18221 5611 1 11 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.835 -0.162 18221 5612 1 11 . 1 1 67 67 ASN C C 58 176.344 176.344 176.175 0.169 18221 5613 1 11 . 1 1 67 67 ASN CA C 58 53.477 53.477 51.978 1.499 18221 5614 1 11 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.264 0.208 18221 5615 1 11 . 1 1 67 67 ASN H H 58 8.113 8.113 8.386 -0.273 18221 5616 1 11 . 1 1 68 68 GLY N N 59 108.808 108.808 112.851 -4.043 18221 5617 1 11 . 1 1 68 68 GLY C C 59 174.958 174.958 175.892 -0.934 18221 5618 1 11 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.643 1.012 18221 5619 1 11 . 1 1 68 68 GLY H H 59 8.152 8.152 8.152 0.000 18221 5620 1 11 . 1 1 69 69 GLY N N 60 108.832 108.832 107.471 1.361 18221 5621 1 11 . 1 1 69 69 GLY C C 60 174.631 174.631 175.187 -0.556 18221 5622 1 11 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.153 0.266 18221 5623 1 11 . 1 1 69 69 GLY H H 60 8.218 8.218 8.328 -0.110 18221 5624 1 11 . 1 1 70 70 GLY N N 61 108.966 108.966 109.449 -0.483 18221 5625 1 11 . 1 1 70 70 GLY C C 61 174.594 174.594 174.529 0.065 18221 5626 1 11 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.140 0.220 18221 5627 1 11 . 1 1 70 70 GLY H H 61 8.175 8.175 7.634 0.541 18221 5628 1 11 . 1 1 71 71 VAL N N 62 120.209 120.209 123.527 -3.318 18221 5629 1 11 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.940 0.066 18221 5630 1 11 . 1 1 71 71 VAL C C 62 176.077 176.077 177.252 -1.175 18221 5631 1 11 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.636 -0.246 18221 5632 1 11 . 1 1 71 71 VAL CB C 62 31.698 31.698 33.328 -1.630 18221 5633 1 11 . 1 1 71 71 VAL H H 62 7.882 7.882 7.853 0.029 18221 5634 1 11 . 1 1 72 72 ALA N N 63 126.966 126.966 130.105 -3.139 18221 5635 1 11 . 1 1 72 72 ALA HA H 63 4.026 4.026 3.990 0.036 18221 5636 1 11 . 1 1 72 72 ALA C C 63 178.064 178.064 176.432 1.632 18221 5637 1 11 . 1 1 72 72 ALA CA C 63 52.503 52.503 54.218 -1.715 18221 5638 1 11 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.969 0.256 18221 5639 1 11 . 1 1 72 72 ALA H H 63 8.237 8.237 8.725 -0.488 18221 5640 1 11 . 1 1 73 73 ALA N N 64 123.432 123.432 119.073 4.359 18221 5641 1 11 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.343 -0.328 18221 5642 1 11 . 1 1 73 73 ALA C C 64 178.995 178.995 176.760 2.235 18221 5643 1 11 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.712 1.709 18221 5644 1 11 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.745 -1.742 18221 5645 1 11 . 1 1 73 73 ALA H H 64 8.421 8.421 8.470 -0.049 18221 5646 1 11 . 1 1 74 74 GLY N N 65 105.577 105.577 106.072 -0.495 18221 5647 1 11 . 1 1 74 74 GLY C C 65 176.367 176.367 174.695 1.672 18221 5648 1 11 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.575 0.669 18221 5649 1 11 . 1 1 74 74 GLY H H 65 8.448 8.448 7.807 0.641 18221 5650 1 11 . 1 1 75 75 SER N N 66 117.656 117.656 117.709 -0.053 18221 5651 1 11 . 1 1 75 75 SER HA H 66 4.394 4.394 4.308 0.086 18221 5652 1 11 . 1 1 75 75 SER C C 66 176.329 176.329 176.916 -0.587 18221 5653 1 11 . 1 1 75 75 SER CA C 66 60.236 60.236 60.151 0.085 18221 5654 1 11 . 1 1 75 75 SER CB C 66 62.476 62.476 62.890 -0.414 18221 5655 1 11 . 1 1 75 75 SER H H 66 7.899 7.899 8.258 -0.359 18221 5656 1 11 . 1 1 76 76 LEU N N 67 122.743 122.743 121.264 1.479 18221 5657 1 11 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.975 0.075 18221 5658 1 11 . 1 1 76 76 LEU C C 67 178.442 178.442 178.782 -0.340 18221 5659 1 11 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.648 -0.128 18221 5660 1 11 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.829 -1.148 18221 5661 1 11 . 1 1 76 76 LEU H H 67 7.955 7.955 7.936 0.019 18221 5662 1 11 . 1 1 77 77 VAL N N 68 118.400 118.400 116.457 1.943 18221 5663 1 11 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.522 -0.051 18221 5664 1 11 . 1 1 77 77 VAL C C 68 177.297 177.297 177.003 0.294 18221 5665 1 11 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.322 0.348 18221 5666 1 11 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.024 -0.504 18221 5667 1 11 . 1 1 77 77 VAL H H 68 8.039 8.039 8.218 -0.179 18221 5668 1 11 . 1 1 78 78 ALA N N 69 121.927 121.927 122.127 -0.200 18221 5669 1 11 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.975 0.230 18221 5670 1 11 . 1 1 78 78 ALA C C 69 181.258 181.258 179.495 1.763 18221 5671 1 11 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.180 -0.198 18221 5672 1 11 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.871 -0.457 18221 5673 1 11 . 1 1 78 78 ALA H H 69 7.631 7.631 7.932 -0.301 18221 5674 1 11 . 1 1 79 79 ILE N N 70 119.782 119.782 119.385 0.397 18221 5675 1 11 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.841 -0.045 18221 5676 1 11 . 1 1 79 79 ILE C C 70 178.253 178.253 177.887 0.366 18221 5677 1 11 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.518 -0.166 18221 5678 1 11 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.772 -0.699 18221 5679 1 11 . 1 1 79 79 ILE H H 70 7.841 7.841 7.733 0.108 18221 5680 1 11 . 1 1 80 80 LEU N N 71 120.841 120.841 121.717 -0.876 18221 5681 1 11 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.871 0.066 18221 5682 1 11 . 1 1 80 80 LEU C C 71 179.234 179.234 178.894 0.340 18221 5683 1 11 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.334 -0.489 18221 5684 1 11 . 1 1 80 80 LEU CB C 71 40.019 40.019 40.902 -0.883 18221 5685 1 11 . 1 1 80 80 LEU H H 71 8.190 8.190 8.266 -0.076 18221 5686 1 11 . 1 1 81 81 GLN N N 72 117.558 117.558 117.695 -0.137 18221 5687 1 11 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.977 -0.008 18221 5688 1 11 . 1 1 81 81 GLN C C 72 178.530 178.530 178.745 -0.215 18221 5689 1 11 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.189 -0.370 18221 5690 1 11 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.753 -1.473 18221 5691 1 11 . 1 1 81 81 GLN H H 72 8.489 8.489 8.705 -0.216 18221 5692 1 11 . 1 1 82 82 SER N N 73 116.103 116.103 116.007 0.096 18221 5693 1 11 . 1 1 82 82 SER HA H 73 4.233 4.233 4.166 0.067 18221 5694 1 11 . 1 1 82 82 SER C C 73 177.243 177.243 176.847 0.396 18221 5695 1 11 . 1 1 82 82 SER CA C 73 61.044 61.044 61.952 -0.908 18221 5696 1 11 . 1 1 82 82 SER CB C 73 62.257 62.257 62.960 -0.703 18221 5697 1 11 . 1 1 82 82 SER H H 73 7.855 7.855 8.078 -0.223 18221 5698 1 11 . 1 1 83 83 VAL N N 74 120.362 120.362 120.803 -0.441 18221 5699 1 11 . 1 1 83 83 VAL C C 74 177.979 177.979 177.494 0.485 18221 5700 1 11 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.795 -0.689 18221 5701 1 11 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.502 -0.761 18221 5702 1 11 . 1 1 83 83 VAL H H 74 8.030 8.030 8.228 -0.198 18221 5703 1 11 . 1 1 84 84 GLY N N 75 108.223 108.223 107.196 1.027 18221 5704 1 11 . 1 1 84 84 GLY C C 75 174.913 174.913 175.515 -0.602 18221 5705 1 11 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.119 -0.342 18221 5706 1 11 . 1 1 84 84 GLY H H 75 8.369 8.369 7.815 0.554 18221 5707 1 11 . 1 1 85 85 ALA N N 76 123.550 123.550 124.425 -0.875 18221 5708 1 11 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.140 -0.046 18221 5709 1 11 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.867 -0.269 18221 5710 1 11 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.290 -0.667 18221 5711 1 11 . 1 1 85 85 ALA H H 76 8.115 8.115 8.333 -0.218 18221 5712 1 11 . 1 1 86 86 ALA N N 77 120.410 120.410 120.976 -0.566 18221 5713 1 11 . 1 1 86 86 ALA C C 77 178.988 178.988 179.524 -0.536 18221 5714 1 11 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.348 -0.512 18221 5715 1 11 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.983 -0.473 18221 5716 1 11 . 1 1 86 86 ALA H H 77 8.632 8.632 8.315 0.317 18221 5717 1 11 . 1 1 87 87 GLY N N 78 105.706 105.706 106.961 -1.255 18221 5718 1 11 . 1 1 87 87 GLY C C 78 175.939 175.939 175.876 0.063 18221 5719 1 11 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.800 -0.682 18221 5720 1 11 . 1 1 87 87 GLY H H 78 8.196 8.196 7.831 0.365 18221 5721 1 11 . 1 1 88 88 LEU N N 79 124.128 124.128 121.747 2.381 18221 5722 1 11 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.665 -0.263 18221 5723 1 11 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.014 -1.627 18221 5724 1 11 . 1 1 88 88 LEU H H 79 8.449 8.449 8.048 0.401 18221 5725 1 11 . 1 1 89 89 SER N N 80 116.251 116.251 114.956 1.295 18221 5726 1 11 . 1 1 89 89 SER C C 80 179.153 179.153 176.592 2.561 18221 5727 1 11 . 1 1 89 89 SER CA C 80 61.023 61.023 61.735 -0.712 18221 5728 1 11 . 1 1 89 89 SER CB C 80 62.255 62.255 62.693 -0.438 18221 5729 1 11 . 1 1 89 89 SER H H 80 8.120 8.120 8.296 -0.176 18221 5730 1 11 . 1 1 90 90 VAL N N 81 119.310 119.310 121.724 -2.414 18221 5731 1 11 . 1 1 90 90 VAL C C 81 177.652 177.652 177.790 -0.138 18221 5732 1 11 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.247 -0.171 18221 5733 1 11 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.577 -0.247 18221 5734 1 11 . 1 1 90 90 VAL H H 81 7.955 7.955 8.046 -0.091 18221 5735 1 11 . 1 1 91 91 THR N N 82 115.535 115.535 116.215 -0.680 18221 5736 1 11 . 1 1 91 91 THR C C 82 176.571 176.571 176.541 0.030 18221 5737 1 11 . 1 1 91 91 THR CA C 82 66.434 66.434 67.781 -1.347 18221 5738 1 11 . 1 1 91 91 THR CB C 82 67.742 67.742 68.674 -0.933 18221 5739 1 11 . 1 1 91 91 THR H H 82 7.888 7.888 8.472 -0.584 18221 5740 1 11 . 1 1 92 92 SER N N 83 116.537 116.537 116.802 -0.265 18221 5741 1 11 . 1 1 92 92 SER HA H 83 4.040 4.040 4.160 -0.120 18221 5742 1 11 . 1 1 92 92 SER C C 83 176.761 176.761 176.517 0.244 18221 5743 1 11 . 1 1 92 92 SER CA C 83 61.564 61.564 61.467 0.097 18221 5744 1 11 . 1 1 92 92 SER CB C 83 62.009 62.009 62.897 -0.888 18221 5745 1 11 . 1 1 92 92 SER H H 83 8.212 8.212 8.012 0.200 18221 5746 1 11 . 1 1 93 93 LYS N N 84 122.353 122.353 120.848 1.505 18221 5747 1 11 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.963 0.156 18221 5748 1 11 . 1 1 93 93 LYS C C 84 172.812 172.812 179.238 -6.426 18221 5749 1 11 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.590 -1.155 18221 5750 1 11 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.474 -0.997 18221 5751 1 11 . 1 1 93 93 LYS H H 84 7.642 7.642 8.270 -0.628 18221 5752 1 11 . 1 1 94 94 VAL N N 85 119.348 119.348 118.761 0.587 18221 5753 1 11 . 1 1 94 94 VAL C C 85 177.948 177.948 177.309 0.639 18221 5754 1 11 . 1 1 94 94 VAL CA C 85 65.389 65.389 64.511 0.878 18221 5755 1 11 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.490 0.356 18221 5756 1 11 . 1 1 94 94 VAL H H 85 8.414 8.414 7.591 0.823 18221 5757 1 11 . 1 1 95 95 ILE N N 86 118.769 118.769 117.207 1.562 18221 5758 1 11 . 1 1 95 95 ILE C C 86 177.972 177.972 176.031 1.941 18221 5759 1 11 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.650 0.187 18221 5760 1 11 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.581 -1.949 18221 5761 1 11 . 1 1 95 95 ILE H H 86 8.169 8.169 7.630 0.539 18221 5762 1 11 . 1 1 96 96 GLY N N 87 107.955 107.955 105.466 2.489 18221 5763 1 11 . 1 1 96 96 GLY C C 87 176.571 176.571 174.250 2.321 18221 5764 1 11 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.608 1.903 18221 5765 1 11 . 1 1 96 96 GLY H H 87 8.182 8.182 8.352 -0.170 18221 5766 1 11 . 1 1 97 97 GLY N N 88 109.117 109.117 109.507 -0.390 18221 5767 1 11 . 1 1 97 97 GLY C C 88 175.524 175.524 175.267 0.257 18221 5768 1 11 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.608 0.224 18221 5769 1 11 . 1 1 97 97 GLY H H 88 7.953 7.953 8.061 -0.108 18221 5770 1 11 . 1 1 98 98 PHE N N 89 121.100 121.100 121.753 -0.653 18221 5771 1 11 . 1 1 98 98 PHE C C 89 176.367 176.367 175.443 0.924 18221 5772 1 11 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.165 -2.265 18221 5773 1 11 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.412 0.420 18221 5774 1 11 . 1 1 98 98 PHE H H 89 8.000 8.000 7.870 0.130 18221 5775 1 11 . 1 1 99 99 ALA N N 90 122.834 122.834 131.239 -8.405 18221 5776 1 11 . 1 1 99 99 ALA C C 90 178.348 178.348 177.207 1.141 18221 5777 1 11 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.834 3.442 18221 5778 1 11 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.721 -2.307 18221 5779 1 11 . 1 1 99 99 ALA H H 90 8.322 8.322 8.215 0.107 18221 5780 1 11 . 1 1 100 100 GLY N N 91 106.688 106.688 113.877 -7.189 18221 5781 1 11 . 1 1 100 100 GLY C C 91 175.878 175.878 174.736 1.142 18221 5782 1 11 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.054 -0.428 18221 5783 1 11 . 1 1 100 100 GLY H H 91 8.000 8.000 8.628 -0.628 18221 5784 1 11 . 1 1 101 101 THR N N 92 115.689 115.689 116.904 -1.215 18221 5785 1 11 . 1 1 101 101 THR C C 92 178.476 178.476 173.670 4.806 18221 5786 1 11 . 1 1 101 101 THR CA C 92 63.364 63.364 61.911 1.453 18221 5787 1 11 . 1 1 101 101 THR CB C 92 69.619 69.619 69.208 0.411 18221 5788 1 11 . 1 1 101 101 THR H H 92 7.754 7.754 7.944 -0.190 18221 5789 1 11 . 1 1 102 102 ALA N N 93 124.835 124.835 130.605 -5.770 18221 5790 1 11 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.944 2.367 18221 5791 1 11 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.601 -1.922 18221 5792 1 11 . 1 1 102 102 ALA H H 93 7.919 7.919 8.133 -0.214 18221 5793 1 11 . 1 1 103 103 LEU N N 94 117.445 117.445 119.587 -2.142 18221 5794 1 11 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.474 1.308 18221 5795 1 11 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.490 -0.588 18221 5796 1 11 . 1 1 103 103 LEU H H 94 8.037 8.037 7.814 0.223 18221 5797 1 11 . 1 1 104 104 GLY N N 95 106.296 106.296 109.403 -3.107 18221 5798 1 11 . 1 1 104 104 GLY C C 95 175.851 175.851 173.599 2.252 18221 5799 1 11 . 1 1 104 104 GLY CA C 95 46.570 46.570 43.862 2.708 18221 5800 1 11 . 1 1 104 104 GLY H H 95 7.900 7.900 8.059 -0.159 18221 5801 1 11 . 1 1 105 105 ALA N N 96 123.872 123.872 123.051 0.821 18221 5802 1 11 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.129 1.997 18221 5803 1 11 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.339 -0.752 18221 5804 1 11 . 1 1 105 105 ALA H H 96 7.804 7.804 8.223 -0.419 18221 5805 1 11 . 1 1 106 106 TRP N N 97 120.348 120.348 121.007 -0.659 18221 5806 1 11 . 1 1 106 106 TRP C C 97 176.857 176.857 177.448 -0.591 18221 5807 1 11 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.147 0.753 18221 5808 1 11 . 1 1 106 106 TRP H H 97 8.385 8.385 7.733 0.652 18221 5809 1 11 . 1 1 107 107 LEU N N 98 117.756 117.756 121.480 -3.724 18221 5810 1 11 . 1 1 107 107 LEU C C 98 177.659 177.659 176.669 0.990 18221 5811 1 11 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.810 -0.707 18221 5812 1 11 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.100 -0.682 18221 5813 1 11 . 1 1 107 107 LEU H H 98 7.880 7.880 8.689 -0.809 18221 5814 1 11 . 1 1 108 108 GLY N N 99 107.285 107.285 112.032 -4.747 18221 5815 1 11 . 1 1 108 108 GLY C C 99 173.815 173.815 173.873 -0.058 18221 5816 1 11 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.359 0.588 18221 5817 1 11 . 1 1 108 108 GLY H H 99 7.694 7.694 8.359 -0.665 18221 5818 1 11 . 1 1 109 109 SER N N 100 117.139 117.139 119.235 -2.096 18221 5819 1 11 . 1 1 109 109 SER C C 100 172.179 172.179 173.345 -1.166 18221 5820 1 11 . 1 1 109 109 SER CA C 100 56.015 56.015 57.608 -1.593 18221 5821 1 11 . 1 1 109 109 SER CB C 100 62.771 62.771 63.564 -0.793 18221 5822 1 11 . 1 1 109 109 SER H H 100 8.030 8.030 8.111 -0.081 18221 5823 1 11 . 1 1 111 111 PRO C C 102 177.073 177.073 175.987 1.086 18221 5824 1 11 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.331 -1.132 18221 5825 1 11 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.439 0.772 18221 5826 1 11 . 1 1 112 112 SER N N 103 117.115 117.115 115.613 1.502 18221 5827 1 11 . 1 1 112 112 SER C C 103 173.898 173.898 174.445 -0.547 18221 5828 1 11 . 1 1 112 112 SER CA C 103 57.904 57.904 58.229 -0.325 18221 5829 1 11 . 1 1 112 112 SER CB C 103 63.360 63.360 64.525 -1.165 18221 5830 1 11 . 1 1 112 112 SER H H 103 8.345 8.345 8.747 -0.402 18221 5831 1 12 . 1 1 11 11 GLY N N 2 109.366 109.366 109.537 -0.171 18221 5832 1 12 . 1 1 11 11 GLY C C 2 174.543 174.543 172.905 1.638 18221 5833 1 12 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.080 0.615 18221 5834 1 12 . 1 1 11 11 GLY H H 2 8.271 8.271 8.450 -0.179 18221 5835 1 12 . 1 1 12 12 LYS N N 3 121.129 121.129 121.757 -0.628 18221 5836 1 12 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.621 -0.489 18221 5837 1 12 . 1 1 12 12 LYS C C 3 177.234 177.234 175.481 1.753 18221 5838 1 12 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.321 0.491 18221 5839 1 12 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.926 -2.080 18221 5840 1 12 . 1 1 12 12 LYS H H 3 8.057 8.057 8.260 -0.203 18221 5841 1 12 . 1 1 13 13 GLU N N 4 120.318 120.318 123.023 -2.705 18221 5842 1 12 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.318 -0.163 18221 5843 1 12 . 1 1 13 13 GLU C C 4 176.857 176.857 176.907 -0.050 18221 5844 1 12 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.800 -0.929 18221 5845 1 12 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.133 -1.745 18221 5846 1 12 . 1 1 13 13 GLU H H 4 8.398 8.398 8.846 -0.448 18221 5847 1 12 . 1 1 14 14 SER N N 5 115.504 115.504 113.759 1.745 18221 5848 1 12 . 1 1 14 14 SER HA H 5 3.843 3.843 4.629 -0.786 18221 5849 1 12 . 1 1 14 14 SER C C 5 175.337 175.337 174.606 0.731 18221 5850 1 12 . 1 1 14 14 SER CA C 5 58.524 58.524 58.290 0.234 18221 5851 1 12 . 1 1 14 14 SER CB C 5 63.360 63.360 64.938 -1.578 18221 5852 1 12 . 1 1 14 14 SER H H 5 8.089 8.089 8.316 -0.227 18221 5853 1 12 . 1 1 15 15 GLY N N 6 110.761 110.761 109.440 1.321 18221 5854 1 12 . 1 1 15 15 GLY C C 6 174.581 174.581 175.563 -0.982 18221 5855 1 12 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.592 0.974 18221 5856 1 12 . 1 1 15 15 GLY H H 6 8.197 8.197 7.859 0.338 18221 5857 1 12 . 1 1 16 16 TRP N N 7 121.800 121.800 123.207 -1.407 18221 5858 1 12 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.552 0.008 18221 5859 1 12 . 1 1 16 16 TRP C C 7 176.920 176.920 176.114 0.806 18221 5860 1 12 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.713 -0.632 18221 5861 1 12 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.966 -0.287 18221 5862 1 12 . 1 1 16 16 TRP H H 7 8.184 8.184 8.342 -0.158 18221 5863 1 12 . 1 1 17 17 ASP N N 8 121.132 121.132 116.096 5.036 18221 5864 1 12 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.691 -0.296 18221 5865 1 12 . 1 1 17 17 ASP C C 8 176.941 176.941 175.473 1.468 18221 5866 1 12 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.515 2.729 18221 5867 1 12 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.876 -1.931 18221 5868 1 12 . 1 1 17 17 ASP H H 8 8.332 8.332 8.027 0.305 18221 5869 1 12 . 1 1 18 18 SER N N 9 116.148 116.148 116.378 -0.230 18221 5870 1 12 . 1 1 18 18 SER HA H 9 3.861 3.861 4.306 -0.445 18221 5871 1 12 . 1 1 18 18 SER CA C 9 60.081 60.081 58.872 1.209 18221 5872 1 12 . 1 1 18 18 SER CB C 9 62.255 62.255 63.458 -1.203 18221 5873 1 12 . 1 1 18 18 SER H H 9 8.129 8.129 8.311 -0.182 18221 5874 1 12 . 1 1 19 19 GLY N N 10 110.747 110.747 111.381 -0.634 18221 5875 1 12 . 1 1 19 19 GLY C C 10 174.682 174.682 175.997 -1.315 18221 5876 1 12 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.414 1.186 18221 5877 1 12 . 1 1 19 19 GLY H H 10 8.216 8.216 8.482 -0.266 18221 5878 1 12 . 1 1 20 20 ARG N N 11 121.405 121.405 121.099 0.306 18221 5879 1 12 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.083 -0.226 18221 5880 1 12 . 1 1 20 20 ARG C C 11 178.328 178.328 178.740 -0.412 18221 5881 1 12 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.837 0.248 18221 5882 1 12 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.022 -0.975 18221 5883 1 12 . 1 1 20 20 ARG H H 11 8.158 8.158 8.607 -0.449 18221 5884 1 12 . 1 1 21 21 ALA N N 12 122.167 122.167 119.839 2.328 18221 5885 1 12 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.063 0.037 18221 5886 1 12 . 1 1 21 21 ALA C C 12 180.129 180.129 179.206 0.923 18221 5887 1 12 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.482 -0.090 18221 5888 1 12 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.933 -0.519 18221 5889 1 12 . 1 1 21 21 ALA H H 12 7.963 7.963 8.505 -0.542 18221 5890 1 12 . 1 1 22 22 ALA N N 13 122.150 122.150 122.160 -0.010 18221 5891 1 12 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.961 0.076 18221 5892 1 12 . 1 1 22 22 ALA C C 13 179.095 179.095 179.579 -0.484 18221 5893 1 12 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.044 -0.328 18221 5894 1 12 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.137 -0.577 18221 5895 1 12 . 1 1 22 22 ALA H H 13 7.881 7.881 7.650 0.231 18221 5896 1 12 . 1 1 23 23 VAL N N 14 117.107 117.107 116.112 0.995 18221 5897 1 12 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.557 -0.077 18221 5898 1 12 . 1 1 23 23 VAL C C 14 177.586 177.586 177.643 -0.057 18221 5899 1 12 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.769 0.429 18221 5900 1 12 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.025 -0.505 18221 5901 1 12 . 1 1 23 23 VAL H H 14 7.888 7.888 8.145 -0.257 18221 5902 1 12 . 1 1 24 24 ALA N N 15 121.333 121.333 122.491 -1.158 18221 5903 1 12 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.947 0.034 18221 5904 1 12 . 1 1 24 24 ALA C C 15 180.373 180.373 179.331 1.042 18221 5905 1 12 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.039 -0.028 18221 5906 1 12 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.889 -0.637 18221 5907 1 12 . 1 1 24 24 ALA H H 15 8.037 8.037 7.905 0.132 18221 5908 1 12 . 1 1 25 25 ALA N N 16 121.158 121.158 119.191 1.967 18221 5909 1 12 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.145 0.001 18221 5910 1 12 . 1 1 25 25 ALA C C 16 179.828 179.828 178.803 1.025 18221 5911 1 12 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.660 -0.209 18221 5912 1 12 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.550 -1.063 18221 5913 1 12 . 1 1 25 25 ALA H H 16 7.819 7.819 7.886 -0.067 18221 5914 1 12 . 1 1 26 26 VAL N N 17 118.417 118.417 116.854 1.563 18221 5915 1 12 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.907 -0.129 18221 5916 1 12 . 1 1 26 26 VAL C C 17 178.020 178.020 177.298 0.722 18221 5917 1 12 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.701 1.877 18221 5918 1 12 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.755 -0.670 18221 5919 1 12 . 1 1 26 26 VAL H H 17 7.848 7.848 7.401 0.447 18221 5920 1 12 . 1 1 27 27 VAL N N 18 119.240 119.240 118.484 0.756 18221 5921 1 12 . 1 1 27 27 VAL C C 18 177.719 177.719 177.101 0.618 18221 5922 1 12 . 1 1 27 27 VAL CA C 18 65.991 65.991 65.014 0.977 18221 5923 1 12 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.806 -1.619 18221 5924 1 12 . 1 1 27 27 VAL H H 18 8.377 8.377 7.613 0.764 18221 5925 1 12 . 1 1 28 28 GLY N N 19 106.009 106.009 107.300 -1.291 18221 5926 1 12 . 1 1 28 28 GLY C C 19 176.212 176.212 174.225 1.987 18221 5927 1 12 . 1 1 28 28 GLY CA C 19 46.244 46.244 45.985 0.259 18221 5928 1 12 . 1 1 28 28 GLY H H 19 8.122 8.122 7.677 0.445 18221 5929 1 12 . 1 1 29 29 GLY N N 20 110.216 110.216 113.391 -3.175 18221 5930 1 12 . 1 1 29 29 GLY C C 20 174.097 174.097 174.613 -0.516 18221 5931 1 12 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.626 1.708 18221 5932 1 12 . 1 1 29 29 GLY H H 20 8.039 8.039 7.954 0.085 18221 5933 1 12 . 1 1 30 30 VAL N N 21 121.188 121.188 121.813 -0.625 18221 5934 1 12 . 1 1 30 30 VAL C C 21 177.073 177.073 177.345 -0.272 18221 5935 1 12 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.152 -3.578 18221 5936 1 12 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.796 -1.006 18221 5937 1 12 . 1 1 30 30 VAL H H 21 7.983 7.983 8.120 -0.137 18221 5938 1 12 . 1 1 32 32 ALA N N 23 125.091 125.091 121.379 3.712 18221 5939 1 12 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.081 0.179 18221 5940 1 12 . 1 1 32 32 ALA C C 23 179.523 179.523 180.175 -0.652 18221 5941 1 12 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.191 -1.508 18221 5942 1 12 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.111 -1.728 18221 5943 1 12 . 1 1 32 32 ALA H H 23 8.036 8.036 8.360 -0.324 18221 5944 1 12 . 1 1 33 33 VAL N N 24 118.793 118.793 117.500 1.293 18221 5945 1 12 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.587 0.121 18221 5946 1 12 . 1 1 33 33 VAL C C 24 177.901 177.901 178.358 -0.457 18221 5947 1 12 . 1 1 33 33 VAL CA C 24 65.430 65.430 66.574 -1.144 18221 5948 1 12 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.047 0.271 18221 5949 1 12 . 1 1 33 33 VAL H H 24 8.195 8.195 8.123 0.072 18221 5950 1 12 . 1 1 34 34 GLY N N 25 108.367 108.367 108.172 0.195 18221 5951 1 12 . 1 1 34 34 GLY C C 25 175.424 175.424 175.681 -0.257 18221 5952 1 12 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.414 -0.080 18221 5953 1 12 . 1 1 34 34 GLY H H 25 8.651 8.651 8.317 0.334 18221 5954 1 12 . 1 1 35 35 THR N N 26 116.448 116.448 119.890 -3.442 18221 5955 1 12 . 1 1 35 35 THR C C 26 176.843 176.843 177.006 -0.163 18221 5956 1 12 . 1 1 35 35 THR CA C 26 65.962 65.962 67.722 -1.760 18221 5957 1 12 . 1 1 35 35 THR CB C 26 68.414 68.414 68.797 -0.383 18221 5958 1 12 . 1 1 35 35 THR H H 26 7.975 7.975 8.364 -0.389 18221 5959 1 12 . 1 1 36 36 VAL N N 27 122.810 122.810 120.617 2.193 18221 5960 1 12 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.582 0.137 18221 5961 1 12 . 1 1 36 36 VAL C C 27 177.618 177.618 177.389 0.229 18221 5962 1 12 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.823 -1.097 18221 5963 1 12 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.410 -0.743 18221 5964 1 12 . 1 1 36 36 VAL H H 27 7.559 7.559 8.010 -0.451 18221 5965 1 12 . 1 1 37 37 LEU N N 28 119.566 119.566 120.873 -1.307 18221 5966 1 12 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.931 0.022 18221 5967 1 12 . 1 1 37 37 LEU C C 28 179.666 179.666 178.805 0.861 18221 5968 1 12 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.410 -0.565 18221 5969 1 12 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.829 -1.663 18221 5970 1 12 . 1 1 37 37 LEU H H 28 8.086 8.086 7.755 0.331 18221 5971 1 12 . 1 1 38 38 VAL N N 29 119.468 119.468 118.068 1.400 18221 5972 1 12 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.537 0.116 18221 5973 1 12 . 1 1 38 38 VAL C C 29 178.639 178.639 177.849 0.790 18221 5974 1 12 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.641 -0.168 18221 5975 1 12 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.056 -0.447 18221 5976 1 12 . 1 1 38 38 VAL H H 29 8.066 8.066 8.455 -0.389 18221 5977 1 12 . 1 1 39 39 ALA N N 30 124.255 124.255 123.110 1.145 18221 5978 1 12 . 1 1 39 39 ALA HA H 30 4.165 4.165 3.916 0.249 18221 5979 1 12 . 1 1 39 39 ALA C C 30 180.303 180.303 179.093 1.210 18221 5980 1 12 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.246 -0.412 18221 5981 1 12 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.530 -0.822 18221 5982 1 12 . 1 1 39 39 ALA H H 30 7.688 7.688 7.798 -0.110 18221 5983 1 12 . 1 1 40 40 LEU N N 31 118.268 118.268 117.316 0.952 18221 5984 1 12 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.947 0.194 18221 5985 1 12 . 1 1 40 40 LEU C C 31 179.271 179.271 179.205 0.066 18221 5986 1 12 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.002 -0.924 18221 5987 1 12 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.194 -0.292 18221 5988 1 12 . 1 1 40 40 LEU H H 31 8.326 8.326 8.008 0.318 18221 5989 1 12 . 1 1 41 41 SER N N 32 114.984 114.984 116.802 -1.818 18221 5990 1 12 . 1 1 41 41 SER HA H 32 3.952 3.952 4.088 -0.136 18221 5991 1 12 . 1 1 41 41 SER C C 32 176.284 176.284 176.001 0.283 18221 5992 1 12 . 1 1 41 41 SER CA C 32 60.885 60.885 61.125 -0.240 18221 5993 1 12 . 1 1 41 41 SER CB C 32 62.410 62.410 63.115 -0.705 18221 5994 1 12 . 1 1 41 41 SER H H 32 8.062 8.062 8.661 -0.599 18221 5995 1 12 . 1 1 42 42 ALA N N 33 124.588 124.588 123.705 0.883 18221 5996 1 12 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.526 -0.301 18221 5997 1 12 . 1 1 42 42 ALA C C 33 179.033 179.033 177.788 1.245 18221 5998 1 12 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.412 2.301 18221 5999 1 12 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.034 0.895 18221 6000 1 12 . 1 1 42 42 ALA H H 33 7.813 7.813 7.906 -0.093 18221 6001 1 12 . 1 1 43 43 MET N N 34 116.808 116.808 119.859 -3.051 18221 6002 1 12 . 1 1 43 43 MET HA H 34 4.285 4.285 4.469 -0.184 18221 6003 1 12 . 1 1 43 43 MET C C 34 176.807 176.807 177.109 -0.302 18221 6004 1 12 . 1 1 43 43 MET CA C 34 56.576 56.576 57.216 -0.640 18221 6005 1 12 . 1 1 43 43 MET CB C 34 32.435 32.435 32.944 -0.509 18221 6006 1 12 . 1 1 43 43 MET H H 34 7.691 7.691 7.742 -0.051 18221 6007 1 12 . 1 1 44 44 GLY N N 35 107.020 107.020 104.500 2.520 18221 6008 1 12 . 1 1 44 44 GLY C C 35 174.493 174.493 174.085 0.408 18221 6009 1 12 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.114 -0.049 18221 6010 1 12 . 1 1 44 44 GLY H H 35 7.793 7.793 7.826 -0.033 18221 6011 1 12 . 1 1 45 45 PHE N N 36 120.285 120.285 119.159 1.126 18221 6012 1 12 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.052 0.455 18221 6013 1 12 . 1 1 45 45 PHE C C 36 176.876 176.876 175.097 1.779 18221 6014 1 12 . 1 1 45 45 PHE CA C 36 58.937 58.937 59.082 -0.145 18221 6015 1 12 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.096 0.082 18221 6016 1 12 . 1 1 45 45 PHE H H 36 8.215 8.215 8.147 0.068 18221 6017 1 12 . 1 1 46 46 THR N N 37 114.008 114.008 113.426 0.582 18221 6018 1 12 . 1 1 46 46 THR HA H 37 4.080 4.080 4.511 -0.431 18221 6019 1 12 . 1 1 46 46 THR C C 37 175.751 175.751 173.979 1.772 18221 6020 1 12 . 1 1 46 46 THR CA C 37 64.220 64.220 60.932 3.288 18221 6021 1 12 . 1 1 46 46 THR CB C 37 68.514 68.514 70.168 -1.654 18221 6022 1 12 . 1 1 46 46 THR H H 37 8.111 8.111 7.546 0.565 18221 6023 1 12 . 1 1 47 47 SER N N 38 116.646 116.646 119.612 -2.966 18221 6024 1 12 . 1 1 47 47 SER HA H 38 3.918 3.918 4.440 -0.522 18221 6025 1 12 . 1 1 47 47 SER C C 38 176.744 176.744 174.352 2.392 18221 6026 1 12 . 1 1 47 47 SER CA C 38 59.911 59.911 59.185 0.726 18221 6027 1 12 . 1 1 47 47 SER CB C 38 62.624 62.624 63.335 -0.711 18221 6028 1 12 . 1 1 47 47 SER H H 38 8.079 8.079 8.550 -0.471 18221 6029 1 12 . 1 1 48 48 VAL N N 39 121.929 121.929 124.140 -2.211 18221 6030 1 12 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.915 -0.006 18221 6031 1 12 . 1 1 48 48 VAL C C 39 177.033 177.033 177.996 -0.963 18221 6032 1 12 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.468 -0.480 18221 6033 1 12 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.848 -0.180 18221 6034 1 12 . 1 1 48 48 VAL H H 39 7.985 7.985 8.101 -0.116 18221 6035 1 12 . 1 1 49 49 GLY N N 40 108.633 108.633 107.546 1.087 18221 6036 1 12 . 1 1 49 49 GLY C C 40 176.038 176.038 176.702 -0.664 18221 6037 1 12 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.765 -0.900 18221 6038 1 12 . 1 1 49 49 GLY H H 40 8.267 8.267 8.533 -0.266 18221 6039 1 12 . 1 1 50 50 ILE N N 41 122.466 122.466 122.720 -0.254 18221 6040 1 12 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.709 0.162 18221 6041 1 12 . 1 1 50 50 ILE C C 41 178.363 178.363 177.945 0.418 18221 6042 1 12 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.732 -1.217 18221 6043 1 12 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.710 -0.472 18221 6044 1 12 . 1 1 50 50 ILE H H 41 7.865 7.865 7.803 0.062 18221 6045 1 12 . 1 1 51 51 ALA N N 42 125.064 125.064 121.278 3.786 18221 6046 1 12 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.954 0.145 18221 6047 1 12 . 1 1 51 51 ALA C C 42 179.385 179.385 179.434 -0.049 18221 6048 1 12 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.170 -0.690 18221 6049 1 12 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.780 -0.293 18221 6050 1 12 . 1 1 51 51 ALA H H 42 7.930 7.930 8.169 -0.239 18221 6051 1 12 . 1 1 52 52 ALA N N 43 120.594 120.594 120.360 0.234 18221 6052 1 12 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.092 -0.155 18221 6053 1 12 . 1 1 52 52 ALA C C 43 179.088 179.088 180.036 -0.948 18221 6054 1 12 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.934 0.166 18221 6055 1 12 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.200 -0.565 18221 6056 1 12 . 1 1 52 52 ALA H H 43 8.639 8.639 8.178 0.461 18221 6057 1 12 . 1 1 53 53 SER N N 44 113.012 113.012 115.552 -2.540 18221 6058 1 12 . 1 1 53 53 SER HA H 44 3.966 3.966 4.230 -0.264 18221 6059 1 12 . 1 1 53 53 SER C C 44 176.898 176.898 176.866 0.032 18221 6060 1 12 . 1 1 53 53 SER CA C 44 61.139 61.139 61.667 -0.528 18221 6061 1 12 . 1 1 53 53 SER CB C 44 62.347 62.347 62.544 -0.197 18221 6062 1 12 . 1 1 53 53 SER H H 44 8.193 8.193 8.236 -0.043 18221 6063 1 12 . 1 1 54 54 SER N N 45 118.714 118.714 119.300 -0.586 18221 6064 1 12 . 1 1 54 54 SER HA H 45 3.975 3.975 4.172 -0.197 18221 6065 1 12 . 1 1 54 54 SER C C 45 177.131 177.131 176.579 0.552 18221 6066 1 12 . 1 1 54 54 SER CA C 45 61.210 61.210 62.393 -1.183 18221 6067 1 12 . 1 1 54 54 SER CB C 45 62.255 62.255 63.237 -0.982 18221 6068 1 12 . 1 1 54 54 SER H H 45 7.944 7.944 8.054 -0.110 18221 6069 1 12 . 1 1 55 55 ILE N N 46 122.912 122.912 117.953 4.959 18221 6070 1 12 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.882 -0.125 18221 6071 1 12 . 1 1 55 55 ILE C C 46 177.813 177.813 176.983 0.830 18221 6072 1 12 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.183 0.008 18221 6073 1 12 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.645 -0.719 18221 6074 1 12 . 1 1 55 55 ILE H H 46 8.028 8.028 8.189 -0.161 18221 6075 1 12 . 1 1 56 56 ALA N N 47 122.990 122.990 122.429 0.561 18221 6076 1 12 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.081 -0.125 18221 6077 1 12 . 1 1 56 56 ALA C C 47 180.294 180.294 178.877 1.417 18221 6078 1 12 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.447 -0.109 18221 6079 1 12 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.376 -0.674 18221 6080 1 12 . 1 1 56 56 ALA H H 47 8.333 8.333 7.766 0.567 18221 6081 1 12 . 1 1 57 57 ALA N N 48 121.988 121.988 120.409 1.579 18221 6082 1 12 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.153 -0.085 18221 6083 1 12 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.782 0.639 18221 6084 1 12 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.306 -1.604 18221 6085 1 12 . 1 1 57 57 ALA H H 48 7.879 7.879 7.899 -0.020 18221 6086 1 12 . 1 1 58 58 LYS N N 49 119.094 119.094 115.745 3.349 18221 6087 1 12 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.870 0.276 18221 6088 1 12 . 1 1 58 58 LYS C C 49 179.649 179.649 177.673 1.976 18221 6089 1 12 . 1 1 58 58 LYS CA C 49 57.157 57.157 58.811 -1.654 18221 6090 1 12 . 1 1 58 58 LYS CB C 49 31.330 31.330 31.236 0.094 18221 6091 1 12 . 1 1 58 58 LYS H H 49 7.727 7.727 8.621 -0.894 18221 6092 1 12 . 1 1 59 59 MET N N 50 120.498 120.498 119.409 1.089 18221 6093 1 12 . 1 1 59 59 MET HA H 50 4.156 4.156 4.496 -0.340 18221 6094 1 12 . 1 1 59 59 MET C C 50 177.949 177.949 176.027 1.922 18221 6095 1 12 . 1 1 59 59 MET CA C 50 57.136 57.136 55.767 1.369 18221 6096 1 12 . 1 1 59 59 MET CB C 50 31.922 31.922 31.318 0.604 18221 6097 1 12 . 1 1 59 59 MET H H 50 8.395 8.395 7.954 0.441 18221 6098 1 12 . 1 1 60 60 MET N N 51 117.689 117.689 121.267 -3.578 18221 6099 1 12 . 1 1 60 60 MET HA H 51 4.222 4.222 4.620 -0.398 18221 6100 1 12 . 1 1 60 60 MET C C 51 177.674 177.674 176.479 1.195 18221 6101 1 12 . 1 1 60 60 MET CA C 51 57.638 57.638 54.898 2.740 18221 6102 1 12 . 1 1 60 60 MET CB C 51 31.785 31.785 34.749 -2.964 18221 6103 1 12 . 1 1 60 60 MET H H 51 8.234 8.234 8.431 -0.197 18221 6104 1 12 . 1 1 61 61 SER N N 52 114.385 114.385 116.191 -1.806 18221 6105 1 12 . 1 1 61 61 SER HA H 52 4.001 4.001 4.299 -0.298 18221 6106 1 12 . 1 1 61 61 SER C C 52 176.079 176.079 174.194 1.885 18221 6107 1 12 . 1 1 61 61 SER CA C 52 59.911 59.911 58.965 0.946 18221 6108 1 12 . 1 1 61 61 SER CB C 52 62.624 62.624 63.728 -1.104 18221 6109 1 12 . 1 1 61 61 SER H H 52 7.893 7.893 8.382 -0.489 18221 6110 1 12 . 1 1 62 62 THR N N 53 117.304 117.304 118.145 -0.841 18221 6111 1 12 . 1 1 62 62 THR HA H 53 4.104 4.104 4.013 0.091 18221 6112 1 12 . 1 1 62 62 THR C C 53 175.436 175.436 175.218 0.218 18221 6113 1 12 . 1 1 62 62 THR CA C 53 64.220 64.220 63.661 0.559 18221 6114 1 12 . 1 1 62 62 THR CB C 53 68.514 68.514 68.657 -0.143 18221 6115 1 12 . 1 1 62 62 THR H H 53 7.794 7.794 8.240 -0.446 18221 6116 1 12 . 1 1 63 63 ALA N N 54 125.382 125.382 129.043 -3.661 18221 6117 1 12 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.025 0.069 18221 6118 1 12 . 1 1 63 63 ALA C C 54 178.328 178.328 176.805 1.523 18221 6119 1 12 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.758 1.338 18221 6120 1 12 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.415 -0.707 18221 6121 1 12 . 1 1 63 63 ALA H H 54 8.204 8.204 8.385 -0.181 18221 6122 1 12 . 1 1 64 64 ALA N N 55 119.929 119.929 127.504 -7.575 18221 6123 1 12 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.252 -0.127 18221 6124 1 12 . 1 1 64 64 ALA C C 55 179.183 179.183 176.701 2.482 18221 6125 1 12 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.440 1.597 18221 6126 1 12 . 1 1 64 64 ALA CB C 55 17.708 17.708 17.826 -0.118 18221 6127 1 12 . 1 1 64 64 ALA H H 55 7.951 7.951 8.760 -0.809 18221 6128 1 12 . 1 1 65 65 ILE N N 56 117.016 117.016 119.865 -2.849 18221 6129 1 12 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.301 -0.351 18221 6130 1 12 . 1 1 65 65 ILE C C 56 177.222 177.222 176.718 0.504 18221 6131 1 12 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.912 1.272 18221 6132 1 12 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.847 -1.774 18221 6133 1 12 . 1 1 65 65 ILE H H 56 7.561 7.561 8.410 -0.849 18221 6134 1 12 . 1 1 66 66 ALA N N 57 124.191 124.191 123.333 0.858 18221 6135 1 12 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.071 0.106 18221 6136 1 12 . 1 1 66 66 ALA C C 57 178.190 178.190 175.989 2.201 18221 6137 1 12 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.591 0.945 18221 6138 1 12 . 1 1 66 66 ALA CB C 57 17.929 17.929 17.747 0.182 18221 6139 1 12 . 1 1 66 66 ALA H H 57 7.982 7.982 8.195 -0.213 18221 6140 1 12 . 1 1 67 67 ASN N N 58 116.132 116.132 116.001 0.131 18221 6141 1 12 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.751 -0.078 18221 6142 1 12 . 1 1 67 67 ASN C C 58 176.344 176.344 175.628 0.716 18221 6143 1 12 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.175 0.302 18221 6144 1 12 . 1 1 67 67 ASN CB C 58 38.472 38.472 39.919 -1.447 18221 6145 1 12 . 1 1 67 67 ASN H H 58 8.113 8.113 8.292 -0.179 18221 6146 1 12 . 1 1 68 68 GLY N N 59 108.808 108.808 111.363 -2.555 18221 6147 1 12 . 1 1 68 68 GLY C C 59 174.958 174.958 173.927 1.031 18221 6148 1 12 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.670 -0.016 18221 6149 1 12 . 1 1 68 68 GLY H H 59 8.152 8.152 8.609 -0.457 18221 6150 1 12 . 1 1 69 69 GLY N N 60 108.832 108.832 111.350 -2.518 18221 6151 1 12 . 1 1 69 69 GLY C C 60 174.631 174.631 173.727 0.904 18221 6152 1 12 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.905 0.514 18221 6153 1 12 . 1 1 69 69 GLY H H 60 8.218 8.218 8.342 -0.124 18221 6154 1 12 . 1 1 70 70 GLY N N 61 108.966 108.966 110.754 -1.788 18221 6155 1 12 . 1 1 70 70 GLY C C 61 174.594 174.594 173.712 0.882 18221 6156 1 12 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.620 0.740 18221 6157 1 12 . 1 1 70 70 GLY H H 61 8.175 8.175 7.897 0.278 18221 6158 1 12 . 1 1 71 71 VAL N N 62 120.209 120.209 120.260 -0.051 18221 6159 1 12 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.887 0.119 18221 6160 1 12 . 1 1 71 71 VAL C C 62 176.077 176.077 176.873 -0.796 18221 6161 1 12 . 1 1 71 71 VAL CA C 62 62.390 62.390 64.424 -2.034 18221 6162 1 12 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.090 -0.392 18221 6163 1 12 . 1 1 71 71 VAL H H 62 7.882 7.882 8.406 -0.524 18221 6164 1 12 . 1 1 72 72 ALA N N 63 126.966 126.966 120.487 6.479 18221 6165 1 12 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.166 -0.140 18221 6166 1 12 . 1 1 72 72 ALA C C 63 178.064 178.064 176.021 2.043 18221 6167 1 12 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.517 -0.014 18221 6168 1 12 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.169 1.056 18221 6169 1 12 . 1 1 72 72 ALA H H 63 8.237 8.237 8.059 0.178 18221 6170 1 12 . 1 1 73 73 ALA N N 64 123.432 123.432 126.007 -2.575 18221 6171 1 12 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.460 -0.445 18221 6172 1 12 . 1 1 73 73 ALA C C 64 178.995 178.995 177.398 1.597 18221 6173 1 12 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.159 2.262 18221 6174 1 12 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.307 -2.304 18221 6175 1 12 . 1 1 73 73 ALA H H 64 8.421 8.421 7.967 0.454 18221 6176 1 12 . 1 1 74 74 GLY N N 65 105.577 105.577 107.961 -2.384 18221 6177 1 12 . 1 1 74 74 GLY C C 65 176.367 176.367 174.966 1.401 18221 6178 1 12 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.005 2.239 18221 6179 1 12 . 1 1 74 74 GLY H H 65 8.448 8.448 7.696 0.752 18221 6180 1 12 . 1 1 75 75 SER N N 66 117.656 117.656 115.321 2.335 18221 6181 1 12 . 1 1 75 75 SER HA H 66 4.394 4.394 4.093 0.301 18221 6182 1 12 . 1 1 75 75 SER C C 66 176.329 176.329 176.565 -0.236 18221 6183 1 12 . 1 1 75 75 SER CA C 66 60.236 60.236 61.229 -0.993 18221 6184 1 12 . 1 1 75 75 SER CB C 66 62.476 62.476 63.178 -0.702 18221 6185 1 12 . 1 1 75 75 SER H H 66 7.899 7.899 8.507 -0.608 18221 6186 1 12 . 1 1 76 76 LEU N N 67 122.743 122.743 121.672 1.071 18221 6187 1 12 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.994 0.056 18221 6188 1 12 . 1 1 76 76 LEU C C 67 178.442 178.442 178.588 -0.146 18221 6189 1 12 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.783 -0.263 18221 6190 1 12 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.577 -0.896 18221 6191 1 12 . 1 1 76 76 LEU H H 67 7.955 7.955 7.733 0.222 18221 6192 1 12 . 1 1 77 77 VAL N N 68 118.400 118.400 118.482 -0.082 18221 6193 1 12 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.498 -0.027 18221 6194 1 12 . 1 1 77 77 VAL C C 68 177.297 177.297 177.071 0.226 18221 6195 1 12 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.672 0.998 18221 6196 1 12 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.542 -1.022 18221 6197 1 12 . 1 1 77 77 VAL H H 68 8.039 8.039 8.037 0.002 18221 6198 1 12 . 1 1 78 78 ALA N N 69 121.927 121.927 122.194 -0.267 18221 6199 1 12 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.010 0.195 18221 6200 1 12 . 1 1 78 78 ALA C C 69 181.258 181.258 179.522 1.736 18221 6201 1 12 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.379 -0.397 18221 6202 1 12 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.043 -0.629 18221 6203 1 12 . 1 1 78 78 ALA H H 69 7.631 7.631 7.802 -0.171 18221 6204 1 12 . 1 1 79 79 ILE N N 70 119.782 119.782 119.247 0.535 18221 6205 1 12 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.741 0.055 18221 6206 1 12 . 1 1 79 79 ILE C C 70 178.253 178.253 177.890 0.363 18221 6207 1 12 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.251 0.101 18221 6208 1 12 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.888 -0.814 18221 6209 1 12 . 1 1 79 79 ILE H H 70 7.841 7.841 7.758 0.083 18221 6210 1 12 . 1 1 80 80 LEU N N 71 120.841 120.841 122.057 -1.216 18221 6211 1 12 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.793 0.144 18221 6212 1 12 . 1 1 80 80 LEU C C 71 179.234 179.234 178.665 0.569 18221 6213 1 12 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.700 -0.855 18221 6214 1 12 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.911 -1.892 18221 6215 1 12 . 1 1 80 80 LEU H H 71 8.190 8.190 8.343 -0.153 18221 6216 1 12 . 1 1 81 81 GLN N N 72 117.558 117.558 117.407 0.151 18221 6217 1 12 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.963 0.006 18221 6218 1 12 . 1 1 81 81 GLN C C 72 178.530 178.530 178.461 0.069 18221 6219 1 12 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.482 0.337 18221 6220 1 12 . 1 1 81 81 GLN CB C 72 27.280 27.280 27.820 -0.540 18221 6221 1 12 . 1 1 81 81 GLN H H 72 8.489 8.489 8.310 0.179 18221 6222 1 12 . 1 1 82 82 SER N N 73 116.103 116.103 116.440 -0.337 18221 6223 1 12 . 1 1 82 82 SER HA H 73 4.233 4.233 4.125 0.108 18221 6224 1 12 . 1 1 82 82 SER C C 73 177.243 177.243 176.715 0.528 18221 6225 1 12 . 1 1 82 82 SER CA C 73 61.044 61.044 61.669 -0.625 18221 6226 1 12 . 1 1 82 82 SER CB C 73 62.257 62.257 62.829 -0.572 18221 6227 1 12 . 1 1 82 82 SER H H 73 7.855 7.855 8.073 -0.218 18221 6228 1 12 . 1 1 83 83 VAL N N 74 120.362 120.362 121.034 -0.672 18221 6229 1 12 . 1 1 83 83 VAL C C 74 177.979 177.979 177.491 0.488 18221 6230 1 12 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.053 -0.947 18221 6231 1 12 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.593 -0.852 18221 6232 1 12 . 1 1 83 83 VAL H H 74 8.030 8.030 8.275 -0.245 18221 6233 1 12 . 1 1 84 84 GLY N N 75 108.223 108.223 107.465 0.758 18221 6234 1 12 . 1 1 84 84 GLY C C 75 174.913 174.913 175.512 -0.599 18221 6235 1 12 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.134 -0.357 18221 6236 1 12 . 1 1 84 84 GLY H H 75 8.369 8.369 7.889 0.480 18221 6237 1 12 . 1 1 85 85 ALA N N 76 123.550 123.550 124.226 -0.676 18221 6238 1 12 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.998 0.096 18221 6239 1 12 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.940 -0.342 18221 6240 1 12 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.459 -0.836 18221 6241 1 12 . 1 1 85 85 ALA H H 76 8.115 8.115 8.334 -0.219 18221 6242 1 12 . 1 1 86 86 ALA N N 77 120.410 120.410 120.741 -0.331 18221 6243 1 12 . 1 1 86 86 ALA C C 77 178.988 178.988 179.462 -0.474 18221 6244 1 12 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.398 -0.562 18221 6245 1 12 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.110 -0.600 18221 6246 1 12 . 1 1 86 86 ALA H H 77 8.632 8.632 8.612 0.020 18221 6247 1 12 . 1 1 87 87 GLY N N 78 105.706 105.706 107.043 -1.337 18221 6248 1 12 . 1 1 87 87 GLY C C 78 175.939 175.939 175.807 0.132 18221 6249 1 12 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.729 -0.611 18221 6250 1 12 . 1 1 87 87 GLY H H 78 8.196 8.196 7.879 0.317 18221 6251 1 12 . 1 1 88 88 LEU N N 79 124.128 124.128 121.838 2.290 18221 6252 1 12 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.811 -0.409 18221 6253 1 12 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.038 -1.651 18221 6254 1 12 . 1 1 88 88 LEU H H 79 8.449 8.449 8.113 0.336 18221 6255 1 12 . 1 1 89 89 SER N N 80 116.251 116.251 115.159 1.092 18221 6256 1 12 . 1 1 89 89 SER C C 80 179.153 179.153 176.696 2.457 18221 6257 1 12 . 1 1 89 89 SER CA C 80 61.023 61.023 61.447 -0.423 18221 6258 1 12 . 1 1 89 89 SER CB C 80 62.255 62.255 62.742 -0.487 18221 6259 1 12 . 1 1 89 89 SER H H 80 8.120 8.120 8.235 -0.115 18221 6260 1 12 . 1 1 90 90 VAL N N 81 119.310 119.310 121.642 -2.332 18221 6261 1 12 . 1 1 90 90 VAL C C 81 177.652 177.652 178.387 -0.735 18221 6262 1 12 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.276 -1.200 18221 6263 1 12 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.826 0.504 18221 6264 1 12 . 1 1 90 90 VAL H H 81 7.955 7.955 8.194 -0.239 18221 6265 1 12 . 1 1 91 91 THR N N 82 115.535 115.535 116.712 -1.177 18221 6266 1 12 . 1 1 91 91 THR C C 82 176.571 176.571 176.708 -0.137 18221 6267 1 12 . 1 1 91 91 THR CA C 82 66.434 66.434 67.353 -0.919 18221 6268 1 12 . 1 1 91 91 THR CB C 82 67.742 67.742 68.654 -0.912 18221 6269 1 12 . 1 1 91 91 THR H H 82 7.888 7.888 8.545 -0.657 18221 6270 1 12 . 1 1 92 92 SER N N 83 116.537 116.537 117.818 -1.281 18221 6271 1 12 . 1 1 92 92 SER HA H 83 4.040 4.040 4.003 0.037 18221 6272 1 12 . 1 1 92 92 SER C C 83 176.761 176.761 176.507 0.254 18221 6273 1 12 . 1 1 92 92 SER CA C 83 61.564 61.564 61.620 -0.056 18221 6274 1 12 . 1 1 92 92 SER CB C 83 62.009 62.009 62.372 -0.363 18221 6275 1 12 . 1 1 92 92 SER H H 83 8.212 8.212 8.153 0.059 18221 6276 1 12 . 1 1 93 93 LYS N N 84 122.353 122.353 121.777 0.576 18221 6277 1 12 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.972 0.147 18221 6278 1 12 . 1 1 93 93 LYS C C 84 172.812 172.812 179.499 -6.687 18221 6279 1 12 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.321 -0.886 18221 6280 1 12 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.589 -1.112 18221 6281 1 12 . 1 1 93 93 LYS H H 84 7.642 7.642 8.273 -0.631 18221 6282 1 12 . 1 1 94 94 VAL N N 85 119.348 119.348 116.484 2.864 18221 6283 1 12 . 1 1 94 94 VAL C C 85 177.948 177.948 177.373 0.575 18221 6284 1 12 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.053 0.336 18221 6285 1 12 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.272 0.574 18221 6286 1 12 . 1 1 94 94 VAL H H 85 8.414 8.414 7.818 0.596 18221 6287 1 12 . 1 1 95 95 ILE N N 86 118.769 118.769 119.320 -0.551 18221 6288 1 12 . 1 1 95 95 ILE C C 86 177.972 177.972 176.750 1.222 18221 6289 1 12 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.543 1.294 18221 6290 1 12 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.405 -1.773 18221 6291 1 12 . 1 1 95 95 ILE H H 86 8.169 8.169 7.801 0.368 18221 6292 1 12 . 1 1 96 96 GLY N N 87 107.955 107.955 108.288 -0.333 18221 6293 1 12 . 1 1 96 96 GLY C C 87 176.571 176.571 175.207 1.364 18221 6294 1 12 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.020 1.491 18221 6295 1 12 . 1 1 96 96 GLY H H 87 8.182 8.182 7.989 0.193 18221 6296 1 12 . 1 1 97 97 GLY N N 88 109.117 109.117 107.583 1.534 18221 6297 1 12 . 1 1 97 97 GLY C C 88 175.524 175.524 173.902 1.622 18221 6298 1 12 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.144 -0.312 18221 6299 1 12 . 1 1 97 97 GLY H H 88 7.953 7.953 7.795 0.158 18221 6300 1 12 . 1 1 98 98 PHE N N 89 121.100 121.100 119.787 1.313 18221 6301 1 12 . 1 1 98 98 PHE C C 89 176.367 176.367 173.526 2.841 18221 6302 1 12 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.151 -0.251 18221 6303 1 12 . 1 1 98 98 PHE CB C 89 38.832 38.832 42.266 -3.434 18221 6304 1 12 . 1 1 98 98 PHE H H 89 8.000 8.000 7.906 0.094 18221 6305 1 12 . 1 1 99 99 ALA N N 90 122.834 122.834 125.368 -2.534 18221 6306 1 12 . 1 1 99 99 ALA C C 90 178.348 178.348 175.384 2.964 18221 6307 1 12 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.452 2.825 18221 6308 1 12 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.330 -1.916 18221 6309 1 12 . 1 1 99 99 ALA H H 90 8.322 8.322 8.079 0.243 18221 6310 1 12 . 1 1 100 100 GLY N N 91 106.688 106.688 111.062 -4.374 18221 6311 1 12 . 1 1 100 100 GLY C C 91 175.878 175.878 174.422 1.456 18221 6312 1 12 . 1 1 100 100 GLY CA C 91 45.626 45.626 46.366 -0.740 18221 6313 1 12 . 1 1 100 100 GLY H H 91 8.000 8.000 7.865 0.135 18221 6314 1 12 . 1 1 101 101 THR N N 92 115.689 115.689 117.565 -1.876 18221 6315 1 12 . 1 1 101 101 THR C C 92 178.476 178.476 173.948 4.528 18221 6316 1 12 . 1 1 101 101 THR CA C 92 63.364 63.364 64.146 -0.782 18221 6317 1 12 . 1 1 101 101 THR CB C 92 69.619 69.619 69.149 0.470 18221 6318 1 12 . 1 1 101 101 THR H H 92 7.754 7.754 7.947 -0.193 18221 6319 1 12 . 1 1 102 102 ALA N N 93 124.835 124.835 121.296 3.539 18221 6320 1 12 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.542 2.769 18221 6321 1 12 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.708 -3.029 18221 6322 1 12 . 1 1 102 102 ALA H H 93 7.919 7.919 7.685 0.234 18221 6323 1 12 . 1 1 103 103 LEU N N 94 117.445 117.445 120.699 -3.254 18221 6324 1 12 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.247 0.535 18221 6325 1 12 . 1 1 103 103 LEU CB C 94 40.902 40.902 43.094 -2.192 18221 6326 1 12 . 1 1 103 103 LEU H H 94 8.037 8.037 8.678 -0.641 18221 6327 1 12 . 1 1 104 104 GLY N N 95 106.296 106.296 108.525 -2.229 18221 6328 1 12 . 1 1 104 104 GLY C C 95 175.851 175.851 173.599 2.252 18221 6329 1 12 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.437 2.133 18221 6330 1 12 . 1 1 104 104 GLY H H 95 7.900 7.900 8.052 -0.152 18221 6331 1 12 . 1 1 105 105 ALA N N 96 123.872 123.872 120.546 3.326 18221 6332 1 12 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.230 1.895 18221 6333 1 12 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.294 -1.707 18221 6334 1 12 . 1 1 105 105 ALA H H 96 7.804 7.804 7.985 -0.181 18221 6335 1 12 . 1 1 106 106 TRP N N 97 120.348 120.348 121.142 -0.794 18221 6336 1 12 . 1 1 106 106 TRP C C 97 176.857 176.857 175.530 1.327 18221 6337 1 12 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.267 -0.367 18221 6338 1 12 . 1 1 106 106 TRP H H 97 8.385 8.385 8.284 0.101 18221 6339 1 12 . 1 1 107 107 LEU N N 98 117.756 117.756 127.549 -9.793 18221 6340 1 12 . 1 1 107 107 LEU C C 98 177.659 177.659 176.977 0.682 18221 6341 1 12 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.844 -0.741 18221 6342 1 12 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.128 -0.710 18221 6343 1 12 . 1 1 107 107 LEU H H 98 7.880 7.880 8.321 -0.441 18221 6344 1 12 . 1 1 108 108 GLY N N 99 107.285 107.285 111.355 -4.070 18221 6345 1 12 . 1 1 108 108 GLY C C 99 173.815 173.815 173.068 0.747 18221 6346 1 12 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.212 -0.265 18221 6347 1 12 . 1 1 108 108 GLY H H 99 7.694 7.694 8.383 -0.689 18221 6348 1 12 . 1 1 109 109 SER N N 100 117.139 117.139 116.230 0.909 18221 6349 1 12 . 1 1 109 109 SER C C 100 172.179 172.179 172.881 -0.702 18221 6350 1 12 . 1 1 109 109 SER CA C 100 56.015 56.015 56.091 -0.076 18221 6351 1 12 . 1 1 109 109 SER CB C 100 62.771 62.771 63.605 -0.834 18221 6352 1 12 . 1 1 109 109 SER H H 100 8.030 8.030 7.915 0.115 18221 6353 1 12 . 1 1 111 111 PRO C C 102 177.073 177.073 176.340 0.733 18221 6354 1 12 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.520 -0.321 18221 6355 1 12 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.531 -1.320 18221 6356 1 12 . 1 1 112 112 SER N N 103 117.115 117.115 117.374 -0.259 18221 6357 1 12 . 1 1 112 112 SER C C 103 173.898 173.898 174.351 -0.453 18221 6358 1 12 . 1 1 112 112 SER CA C 103 57.904 57.904 58.185 -0.281 18221 6359 1 12 . 1 1 112 112 SER CB C 103 63.360 63.360 63.999 -0.639 18221 6360 1 12 . 1 1 112 112 SER H H 103 8.345 8.345 8.346 -0.001 18221 6361 1 13 . 1 1 11 11 GLY N N 2 109.366 109.366 111.219 -1.853 18221 6362 1 13 . 1 1 11 11 GLY C C 2 174.543 174.543 173.467 1.076 18221 6363 1 13 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.845 -0.150 18221 6364 1 13 . 1 1 11 11 GLY H H 2 8.271 8.271 8.602 -0.331 18221 6365 1 13 . 1 1 12 12 LYS N N 3 121.129 121.129 121.174 -0.045 18221 6366 1 13 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.370 -0.238 18221 6367 1 13 . 1 1 12 12 LYS C C 3 177.234 177.234 175.195 2.039 18221 6368 1 13 . 1 1 12 12 LYS CA C 3 56.812 56.812 55.646 1.166 18221 6369 1 13 . 1 1 12 12 LYS CB C 3 31.846 31.846 34.302 -2.456 18221 6370 1 13 . 1 1 12 12 LYS H H 3 8.057 8.057 7.986 0.071 18221 6371 1 13 . 1 1 13 13 GLU N N 4 120.318 120.318 124.758 -4.440 18221 6372 1 13 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.520 -0.365 18221 6373 1 13 . 1 1 13 13 GLU C C 4 176.857 176.857 174.923 1.934 18221 6374 1 13 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.854 0.017 18221 6375 1 13 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.114 -1.726 18221 6376 1 13 . 1 1 13 13 GLU H H 4 8.398 8.398 8.652 -0.254 18221 6377 1 13 . 1 1 14 14 SER N N 5 115.504 115.504 118.576 -3.072 18221 6378 1 13 . 1 1 14 14 SER HA H 5 3.843 3.843 4.652 -0.809 18221 6379 1 13 . 1 1 14 14 SER C C 5 175.337 175.337 174.578 0.759 18221 6380 1 13 . 1 1 14 14 SER CA C 5 58.524 58.524 57.786 0.738 18221 6381 1 13 . 1 1 14 14 SER CB C 5 63.360 63.360 64.063 -0.703 18221 6382 1 13 . 1 1 14 14 SER H H 5 8.089 8.089 8.158 -0.069 18221 6383 1 13 . 1 1 15 15 GLY N N 6 110.761 110.761 114.590 -3.829 18221 6384 1 13 . 1 1 15 15 GLY C C 6 174.581 174.581 173.855 0.726 18221 6385 1 13 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.886 -0.320 18221 6386 1 13 . 1 1 15 15 GLY H H 6 8.197 8.197 8.479 -0.282 18221 6387 1 13 . 1 1 16 16 TRP N N 7 121.800 121.800 124.694 -2.894 18221 6388 1 13 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.854 -0.294 18221 6389 1 13 . 1 1 16 16 TRP C C 7 176.920 176.920 175.075 1.845 18221 6390 1 13 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.187 0.894 18221 6391 1 13 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.301 -0.622 18221 6392 1 13 . 1 1 16 16 TRP H H 7 8.184 8.184 8.438 -0.254 18221 6393 1 13 . 1 1 17 17 ASP N N 8 121.132 121.132 122.442 -1.310 18221 6394 1 13 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.819 -0.424 18221 6395 1 13 . 1 1 17 17 ASP C C 8 176.941 176.941 175.680 1.261 18221 6396 1 13 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.291 2.953 18221 6397 1 13 . 1 1 17 17 ASP CB C 8 39.945 39.945 43.044 -3.099 18221 6398 1 13 . 1 1 17 17 ASP H H 8 8.332 8.332 8.068 0.264 18221 6399 1 13 . 1 1 18 18 SER N N 9 116.148 116.148 115.922 0.226 18221 6400 1 13 . 1 1 18 18 SER HA H 9 3.861 3.861 4.474 -0.613 18221 6401 1 13 . 1 1 18 18 SER CA C 9 60.081 60.081 58.357 1.724 18221 6402 1 13 . 1 1 18 18 SER CB C 9 62.255 62.255 64.993 -2.738 18221 6403 1 13 . 1 1 18 18 SER H H 9 8.129 8.129 8.762 -0.633 18221 6404 1 13 . 1 1 19 19 GLY N N 10 110.747 110.747 109.747 1.000 18221 6405 1 13 . 1 1 19 19 GLY C C 10 174.682 174.682 174.795 -0.113 18221 6406 1 13 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.627 1.974 18221 6407 1 13 . 1 1 19 19 GLY H H 10 8.216 8.216 7.907 0.309 18221 6408 1 13 . 1 1 20 20 ARG N N 11 121.405 121.405 124.133 -2.728 18221 6409 1 13 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.166 -0.309 18221 6410 1 13 . 1 1 20 20 ARG C C 11 178.328 178.328 178.311 0.017 18221 6411 1 13 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.997 1.088 18221 6412 1 13 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.354 -1.307 18221 6413 1 13 . 1 1 20 20 ARG H H 11 8.158 8.158 8.688 -0.530 18221 6414 1 13 . 1 1 21 21 ALA N N 12 122.167 122.167 121.530 0.637 18221 6415 1 13 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.012 0.088 18221 6416 1 13 . 1 1 21 21 ALA C C 12 180.129 180.129 179.176 0.953 18221 6417 1 13 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.586 -0.194 18221 6418 1 13 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.934 -0.520 18221 6419 1 13 . 1 1 21 21 ALA H H 12 7.963 7.963 8.455 -0.492 18221 6420 1 13 . 1 1 22 22 ALA N N 13 122.150 122.150 121.181 0.969 18221 6421 1 13 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.849 0.188 18221 6422 1 13 . 1 1 22 22 ALA C C 13 179.095 179.095 179.521 -0.426 18221 6423 1 13 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.784 -0.068 18221 6424 1 13 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.031 -0.470 18221 6425 1 13 . 1 1 22 22 ALA H H 13 7.881 7.881 7.438 0.443 18221 6426 1 13 . 1 1 23 23 VAL N N 14 117.107 117.107 119.122 -2.015 18221 6427 1 13 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.532 -0.052 18221 6428 1 13 . 1 1 23 23 VAL C C 14 177.586 177.586 178.026 -0.440 18221 6429 1 13 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.636 -0.438 18221 6430 1 13 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.226 -0.706 18221 6431 1 13 . 1 1 23 23 VAL H H 14 7.888 7.888 8.105 -0.217 18221 6432 1 13 . 1 1 24 24 ALA N N 15 121.333 121.333 121.513 -0.180 18221 6433 1 13 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.938 0.043 18221 6434 1 13 . 1 1 24 24 ALA C C 15 180.373 180.373 179.396 0.977 18221 6435 1 13 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.157 -0.146 18221 6436 1 13 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.729 -0.477 18221 6437 1 13 . 1 1 24 24 ALA H H 15 8.037 8.037 7.756 0.281 18221 6438 1 13 . 1 1 25 25 ALA N N 16 121.158 121.158 119.042 2.116 18221 6439 1 13 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.105 0.041 18221 6440 1 13 . 1 1 25 25 ALA C C 16 179.828 179.828 178.978 0.850 18221 6441 1 13 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.547 -0.096 18221 6442 1 13 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.329 -0.842 18221 6443 1 13 . 1 1 25 25 ALA H H 16 7.819 7.819 7.917 -0.098 18221 6444 1 13 . 1 1 26 26 VAL N N 17 118.417 118.417 116.332 2.085 18221 6445 1 13 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.831 -0.053 18221 6446 1 13 . 1 1 26 26 VAL C C 17 178.020 178.020 177.188 0.832 18221 6447 1 13 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.491 1.087 18221 6448 1 13 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.213 -1.128 18221 6449 1 13 . 1 1 26 26 VAL H H 17 7.848 7.848 7.366 0.482 18221 6450 1 13 . 1 1 27 27 VAL N N 18 119.240 119.240 119.529 -0.289 18221 6451 1 13 . 1 1 27 27 VAL C C 18 177.719 177.719 176.558 1.161 18221 6452 1 13 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.452 2.539 18221 6453 1 13 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.879 -2.692 18221 6454 1 13 . 1 1 27 27 VAL H H 18 8.377 8.377 7.645 0.732 18221 6455 1 13 . 1 1 28 28 GLY N N 19 106.009 106.009 108.271 -2.262 18221 6456 1 13 . 1 1 28 28 GLY C C 19 176.212 176.212 174.482 1.730 18221 6457 1 13 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.819 -0.575 18221 6458 1 13 . 1 1 28 28 GLY H H 19 8.122 8.122 8.170 -0.048 18221 6459 1 13 . 1 1 29 29 GLY N N 20 110.216 110.216 113.283 -3.067 18221 6460 1 13 . 1 1 29 29 GLY C C 20 174.097 174.097 174.801 -0.704 18221 6461 1 13 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.490 1.844 18221 6462 1 13 . 1 1 29 29 GLY H H 20 8.039 8.039 7.785 0.254 18221 6463 1 13 . 1 1 30 30 VAL N N 21 121.188 121.188 121.122 0.066 18221 6464 1 13 . 1 1 30 30 VAL C C 21 177.073 177.073 176.780 0.293 18221 6465 1 13 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.329 -3.755 18221 6466 1 13 . 1 1 30 30 VAL CB C 21 30.790 30.790 32.190 -1.400 18221 6467 1 13 . 1 1 30 30 VAL H H 21 7.983 7.983 7.887 0.096 18221 6468 1 13 . 1 1 32 32 ALA N N 23 125.091 125.091 121.670 3.421 18221 6469 1 13 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.028 0.232 18221 6470 1 13 . 1 1 32 32 ALA C C 23 179.523 179.523 179.606 -0.083 18221 6471 1 13 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.120 -1.437 18221 6472 1 13 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.035 -1.652 18221 6473 1 13 . 1 1 32 32 ALA H H 23 8.036 8.036 7.996 0.040 18221 6474 1 13 . 1 1 33 33 VAL N N 24 118.793 118.793 117.853 0.940 18221 6475 1 13 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.772 -0.064 18221 6476 1 13 . 1 1 33 33 VAL C C 24 177.901 177.901 178.347 -0.446 18221 6477 1 13 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.812 0.618 18221 6478 1 13 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.803 0.515 18221 6479 1 13 . 1 1 33 33 VAL H H 24 8.195 8.195 8.093 0.102 18221 6480 1 13 . 1 1 34 34 GLY N N 25 108.367 108.367 108.949 -0.582 18221 6481 1 13 . 1 1 34 34 GLY C C 25 175.424 175.424 175.905 -0.481 18221 6482 1 13 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.767 -0.432 18221 6483 1 13 . 1 1 34 34 GLY H H 25 8.651 8.651 8.343 0.308 18221 6484 1 13 . 1 1 35 35 THR N N 26 116.448 116.448 119.916 -3.468 18221 6485 1 13 . 1 1 35 35 THR C C 26 176.843 176.843 176.688 0.155 18221 6486 1 13 . 1 1 35 35 THR CA C 26 65.962 65.962 67.914 -1.952 18221 6487 1 13 . 1 1 35 35 THR CB C 26 68.414 68.414 68.838 -0.424 18221 6488 1 13 . 1 1 35 35 THR H H 26 7.975 7.975 8.066 -0.091 18221 6489 1 13 . 1 1 36 36 VAL N N 27 122.810 122.810 121.507 1.303 18221 6490 1 13 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.559 0.160 18221 6491 1 13 . 1 1 36 36 VAL C C 27 177.618 177.618 177.334 0.284 18221 6492 1 13 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.890 -1.164 18221 6493 1 13 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.742 -1.075 18221 6494 1 13 . 1 1 36 36 VAL H H 27 7.559 7.559 8.031 -0.472 18221 6495 1 13 . 1 1 37 37 LEU N N 28 119.566 119.566 120.580 -1.014 18221 6496 1 13 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.963 -0.010 18221 6497 1 13 . 1 1 37 37 LEU C C 28 179.666 179.666 178.202 1.464 18221 6498 1 13 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.282 -0.437 18221 6499 1 13 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.643 -1.477 18221 6500 1 13 . 1 1 37 37 LEU H H 28 8.086 8.086 7.819 0.267 18221 6501 1 13 . 1 1 38 38 VAL N N 29 119.468 119.468 119.379 0.089 18221 6502 1 13 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.450 0.203 18221 6503 1 13 . 1 1 38 38 VAL C C 29 178.639 178.639 177.927 0.712 18221 6504 1 13 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.619 -1.146 18221 6505 1 13 . 1 1 38 38 VAL CB C 29 30.609 30.609 30.984 -0.375 18221 6506 1 13 . 1 1 38 38 VAL H H 29 8.066 8.066 8.377 -0.311 18221 6507 1 13 . 1 1 39 39 ALA N N 30 124.255 124.255 121.030 3.225 18221 6508 1 13 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.406 -0.241 18221 6509 1 13 . 1 1 39 39 ALA C C 30 180.303 180.303 180.312 -0.009 18221 6510 1 13 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.515 0.319 18221 6511 1 13 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.811 -1.103 18221 6512 1 13 . 1 1 39 39 ALA H H 30 7.688 7.688 7.913 -0.225 18221 6513 1 13 . 1 1 40 40 LEU N N 31 118.268 118.268 119.648 -1.380 18221 6514 1 13 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.920 0.221 18221 6515 1 13 . 1 1 40 40 LEU C C 31 179.271 179.271 178.953 0.318 18221 6516 1 13 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.856 -0.778 18221 6517 1 13 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.933 -0.031 18221 6518 1 13 . 1 1 40 40 LEU H H 31 8.326 8.326 8.421 -0.095 18221 6519 1 13 . 1 1 41 41 SER N N 32 114.984 114.984 114.608 0.376 18221 6520 1 13 . 1 1 41 41 SER HA H 32 3.952 3.952 4.296 -0.344 18221 6521 1 13 . 1 1 41 41 SER C C 32 176.284 176.284 175.239 1.045 18221 6522 1 13 . 1 1 41 41 SER CA C 32 60.885 60.885 60.923 -0.038 18221 6523 1 13 . 1 1 41 41 SER CB C 32 62.410 62.410 63.726 -1.316 18221 6524 1 13 . 1 1 41 41 SER H H 32 8.062 8.062 8.285 -0.223 18221 6525 1 13 . 1 1 42 42 ALA N N 33 124.588 124.588 124.391 0.197 18221 6526 1 13 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.516 -0.291 18221 6527 1 13 . 1 1 42 42 ALA C C 33 179.033 179.033 177.444 1.589 18221 6528 1 13 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.252 2.461 18221 6529 1 13 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.938 -0.009 18221 6530 1 13 . 1 1 42 42 ALA H H 33 7.813 7.813 8.112 -0.299 18221 6531 1 13 . 1 1 43 43 MET N N 34 116.808 116.808 122.302 -5.494 18221 6532 1 13 . 1 1 43 43 MET HA H 34 4.285 4.285 4.389 -0.104 18221 6533 1 13 . 1 1 43 43 MET C C 34 176.807 176.807 176.997 -0.190 18221 6534 1 13 . 1 1 43 43 MET CA C 34 56.576 56.576 57.893 -1.317 18221 6535 1 13 . 1 1 43 43 MET CB C 34 32.435 32.435 32.919 -0.484 18221 6536 1 13 . 1 1 43 43 MET H H 34 7.691 7.691 7.991 -0.300 18221 6537 1 13 . 1 1 44 44 GLY N N 35 107.020 107.020 105.341 1.679 18221 6538 1 13 . 1 1 44 44 GLY C C 35 174.493 174.493 173.089 1.404 18221 6539 1 13 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.609 0.456 18221 6540 1 13 . 1 1 44 44 GLY H H 35 7.793 7.793 8.047 -0.254 18221 6541 1 13 . 1 1 45 45 PHE N N 36 120.285 120.285 118.676 1.609 18221 6542 1 13 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.735 -0.228 18221 6543 1 13 . 1 1 45 45 PHE C C 36 176.876 176.876 174.743 2.133 18221 6544 1 13 . 1 1 45 45 PHE CA C 36 58.937 58.937 56.847 2.090 18221 6545 1 13 . 1 1 45 45 PHE CB C 36 38.178 38.178 41.602 -3.424 18221 6546 1 13 . 1 1 45 45 PHE H H 36 8.215 8.215 7.843 0.372 18221 6547 1 13 . 1 1 46 46 THR N N 37 114.008 114.008 117.743 -3.735 18221 6548 1 13 . 1 1 46 46 THR HA H 37 4.080 4.080 4.308 -0.228 18221 6549 1 13 . 1 1 46 46 THR C C 37 175.751 175.751 174.279 1.472 18221 6550 1 13 . 1 1 46 46 THR CA C 37 64.220 64.220 63.363 0.857 18221 6551 1 13 . 1 1 46 46 THR CB C 37 68.514 68.514 69.457 -0.942 18221 6552 1 13 . 1 1 46 46 THR H H 37 8.111 8.111 8.366 -0.255 18221 6553 1 13 . 1 1 47 47 SER N N 38 116.646 116.646 120.431 -3.785 18221 6554 1 13 . 1 1 47 47 SER HA H 38 3.918 3.918 4.592 -0.674 18221 6555 1 13 . 1 1 47 47 SER C C 38 176.744 176.744 175.742 1.002 18221 6556 1 13 . 1 1 47 47 SER CA C 38 59.911 59.911 59.269 0.642 18221 6557 1 13 . 1 1 47 47 SER CB C 38 62.624 62.624 63.409 -0.785 18221 6558 1 13 . 1 1 47 47 SER H H 38 8.079 8.079 8.575 -0.496 18221 6559 1 13 . 1 1 48 48 VAL N N 39 121.929 121.929 123.991 -2.062 18221 6560 1 13 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.773 0.136 18221 6561 1 13 . 1 1 48 48 VAL C C 39 177.033 177.033 178.049 -1.016 18221 6562 1 13 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.911 -0.923 18221 6563 1 13 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.165 -0.497 18221 6564 1 13 . 1 1 48 48 VAL H H 39 7.985 7.985 8.094 -0.109 18221 6565 1 13 . 1 1 49 49 GLY N N 40 108.633 108.633 108.227 0.406 18221 6566 1 13 . 1 1 49 49 GLY C C 40 176.038 176.038 176.519 -0.481 18221 6567 1 13 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.805 -0.940 18221 6568 1 13 . 1 1 49 49 GLY H H 40 8.267 8.267 8.463 -0.196 18221 6569 1 13 . 1 1 50 50 ILE N N 41 122.466 122.466 123.045 -0.579 18221 6570 1 13 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.746 0.125 18221 6571 1 13 . 1 1 50 50 ILE C C 41 178.363 178.363 178.293 0.070 18221 6572 1 13 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.414 0.101 18221 6573 1 13 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.093 0.145 18221 6574 1 13 . 1 1 50 50 ILE H H 41 7.865 7.865 7.978 -0.113 18221 6575 1 13 . 1 1 51 51 ALA N N 42 125.064 125.064 121.443 3.621 18221 6576 1 13 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.976 0.123 18221 6577 1 13 . 1 1 51 51 ALA C C 42 179.385 179.385 179.572 -0.187 18221 6578 1 13 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.187 -0.707 18221 6579 1 13 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.021 -0.534 18221 6580 1 13 . 1 1 51 51 ALA H H 42 7.930 7.930 8.275 -0.345 18221 6581 1 13 . 1 1 52 52 ALA N N 43 120.594 120.594 120.740 -0.146 18221 6582 1 13 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.064 -0.127 18221 6583 1 13 . 1 1 52 52 ALA C C 43 179.088 179.088 179.819 -0.731 18221 6584 1 13 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.820 0.280 18221 6585 1 13 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.955 -0.320 18221 6586 1 13 . 1 1 52 52 ALA H H 43 8.639 8.639 8.138 0.501 18221 6587 1 13 . 1 1 53 53 SER N N 44 113.012 113.012 115.208 -2.196 18221 6588 1 13 . 1 1 53 53 SER HA H 44 3.966 3.966 4.190 -0.224 18221 6589 1 13 . 1 1 53 53 SER C C 44 176.898 176.898 176.809 0.089 18221 6590 1 13 . 1 1 53 53 SER CA C 44 61.139 61.139 61.882 -0.743 18221 6591 1 13 . 1 1 53 53 SER CB C 44 62.347 62.347 62.969 -0.622 18221 6592 1 13 . 1 1 53 53 SER H H 44 8.193 8.193 8.231 -0.038 18221 6593 1 13 . 1 1 54 54 SER N N 45 118.714 118.714 118.766 -0.052 18221 6594 1 13 . 1 1 54 54 SER HA H 45 3.975 3.975 4.155 -0.180 18221 6595 1 13 . 1 1 54 54 SER C C 45 177.131 177.131 176.732 0.399 18221 6596 1 13 . 1 1 54 54 SER CA C 45 61.210 61.210 62.071 -0.861 18221 6597 1 13 . 1 1 54 54 SER CB C 45 62.255 62.255 63.105 -0.850 18221 6598 1 13 . 1 1 54 54 SER H H 45 7.944 7.944 8.048 -0.104 18221 6599 1 13 . 1 1 55 55 ILE N N 46 122.912 122.912 121.369 1.543 18221 6600 1 13 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.623 0.134 18221 6601 1 13 . 1 1 55 55 ILE C C 46 177.813 177.813 176.982 0.831 18221 6602 1 13 . 1 1 55 55 ILE CA C 46 64.191 64.191 65.006 -0.815 18221 6603 1 13 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.108 -1.182 18221 6604 1 13 . 1 1 55 55 ILE H H 46 8.028 8.028 8.198 -0.170 18221 6605 1 13 . 1 1 56 56 ALA N N 47 122.990 122.990 120.190 2.800 18221 6606 1 13 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.969 -0.013 18221 6607 1 13 . 1 1 56 56 ALA C C 47 180.294 180.294 179.742 0.552 18221 6608 1 13 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.696 -0.358 18221 6609 1 13 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.600 -0.898 18221 6610 1 13 . 1 1 56 56 ALA H H 47 8.333 8.333 7.610 0.723 18221 6611 1 13 . 1 1 57 57 ALA N N 48 121.988 121.988 119.999 1.989 18221 6612 1 13 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.017 0.051 18221 6613 1 13 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.600 -0.179 18221 6614 1 13 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.073 -1.371 18221 6615 1 13 . 1 1 57 57 ALA H H 48 7.879 7.879 8.071 -0.192 18221 6616 1 13 . 1 1 58 58 LYS N N 49 119.094 119.094 113.740 5.354 18221 6617 1 13 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.326 -0.180 18221 6618 1 13 . 1 1 58 58 LYS C C 49 179.649 179.649 177.934 1.715 18221 6619 1 13 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.930 0.227 18221 6620 1 13 . 1 1 58 58 LYS CB C 49 31.330 31.330 34.309 -2.979 18221 6621 1 13 . 1 1 58 58 LYS H H 49 7.727 7.727 8.225 -0.498 18221 6622 1 13 . 1 1 59 59 MET N N 50 120.498 120.498 115.375 5.123 18221 6623 1 13 . 1 1 59 59 MET HA H 50 4.156 4.156 3.980 0.176 18221 6624 1 13 . 1 1 59 59 MET C C 50 177.949 177.949 176.409 1.540 18221 6625 1 13 . 1 1 59 59 MET CA C 50 57.136 57.136 58.464 -1.328 18221 6626 1 13 . 1 1 59 59 MET CB C 50 31.922 31.922 31.146 0.776 18221 6627 1 13 . 1 1 59 59 MET H H 50 8.395 8.395 8.533 -0.138 18221 6628 1 13 . 1 1 60 60 MET N N 51 117.689 117.689 117.989 -0.300 18221 6629 1 13 . 1 1 60 60 MET HA H 51 4.222 4.222 4.291 -0.069 18221 6630 1 13 . 1 1 60 60 MET C C 51 177.674 177.674 175.953 1.721 18221 6631 1 13 . 1 1 60 60 MET CA C 51 57.638 57.638 57.378 0.260 18221 6632 1 13 . 1 1 60 60 MET CB C 51 31.785 31.785 33.328 -1.543 18221 6633 1 13 . 1 1 60 60 MET H H 51 8.234 8.234 7.867 0.367 18221 6634 1 13 . 1 1 61 61 SER N N 52 114.385 114.385 113.719 0.666 18221 6635 1 13 . 1 1 61 61 SER HA H 52 4.001 4.001 4.303 -0.302 18221 6636 1 13 . 1 1 61 61 SER C C 52 176.079 176.079 174.511 1.568 18221 6637 1 13 . 1 1 61 61 SER CA C 52 59.911 59.911 58.393 1.518 18221 6638 1 13 . 1 1 61 61 SER CB C 52 62.624 62.624 63.299 -0.675 18221 6639 1 13 . 1 1 61 61 SER H H 52 7.893 7.893 7.886 0.007 18221 6640 1 13 . 1 1 62 62 THR N N 53 117.304 117.304 115.754 1.550 18221 6641 1 13 . 1 1 62 62 THR HA H 53 4.104 4.104 4.090 0.014 18221 6642 1 13 . 1 1 62 62 THR C C 53 175.436 175.436 174.990 0.446 18221 6643 1 13 . 1 1 62 62 THR CA C 53 64.220 64.220 62.568 1.653 18221 6644 1 13 . 1 1 62 62 THR CB C 53 68.514 68.514 68.790 -0.276 18221 6645 1 13 . 1 1 62 62 THR H H 53 7.794 7.794 7.994 -0.200 18221 6646 1 13 . 1 1 63 63 ALA N N 54 125.382 125.382 127.728 -2.346 18221 6647 1 13 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.298 -0.204 18221 6648 1 13 . 1 1 63 63 ALA C C 54 178.328 178.328 177.453 0.875 18221 6649 1 13 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.386 1.710 18221 6650 1 13 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.550 -1.842 18221 6651 1 13 . 1 1 63 63 ALA H H 54 8.204 8.204 7.720 0.484 18221 6652 1 13 . 1 1 64 64 ALA N N 55 119.929 119.929 123.450 -3.521 18221 6653 1 13 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.246 -0.121 18221 6654 1 13 . 1 1 64 64 ALA C C 55 179.183 179.183 176.981 2.202 18221 6655 1 13 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.423 1.614 18221 6656 1 13 . 1 1 64 64 ALA CB C 55 17.708 17.708 17.477 0.231 18221 6657 1 13 . 1 1 64 64 ALA H H 55 7.951 7.951 8.430 -0.479 18221 6658 1 13 . 1 1 65 65 ILE N N 56 117.016 117.016 120.413 -3.397 18221 6659 1 13 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.397 -0.447 18221 6660 1 13 . 1 1 65 65 ILE C C 56 177.222 177.222 175.759 1.463 18221 6661 1 13 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.197 0.987 18221 6662 1 13 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.143 -2.070 18221 6663 1 13 . 1 1 65 65 ILE H H 56 7.561 7.561 8.380 -0.819 18221 6664 1 13 . 1 1 66 66 ALA N N 57 124.191 124.191 124.326 -0.135 18221 6665 1 13 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.007 0.170 18221 6666 1 13 . 1 1 66 66 ALA C C 57 178.190 178.190 176.055 2.135 18221 6667 1 13 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.718 1.817 18221 6668 1 13 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.455 -0.526 18221 6669 1 13 . 1 1 66 66 ALA H H 57 7.982 7.982 8.132 -0.150 18221 6670 1 13 . 1 1 67 67 ASN N N 58 116.132 116.132 119.958 -3.826 18221 6671 1 13 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.415 0.258 18221 6672 1 13 . 1 1 67 67 ASN C C 58 176.344 176.344 175.012 1.332 18221 6673 1 13 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.483 -0.006 18221 6674 1 13 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.823 -0.351 18221 6675 1 13 . 1 1 67 67 ASN H H 58 8.113 8.113 8.503 -0.390 18221 6676 1 13 . 1 1 68 68 GLY N N 59 108.808 108.808 110.641 -1.833 18221 6677 1 13 . 1 1 68 68 GLY C C 59 174.958 174.958 173.396 1.562 18221 6678 1 13 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.042 0.613 18221 6679 1 13 . 1 1 68 68 GLY H H 59 8.152 8.152 8.487 -0.335 18221 6680 1 13 . 1 1 69 69 GLY N N 60 108.832 108.832 107.001 1.831 18221 6681 1 13 . 1 1 69 69 GLY C C 60 174.631 174.631 174.009 0.622 18221 6682 1 13 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.579 0.840 18221 6683 1 13 . 1 1 69 69 GLY H H 60 8.218 8.218 8.170 0.048 18221 6684 1 13 . 1 1 70 70 GLY N N 61 108.966 108.966 110.229 -1.263 18221 6685 1 13 . 1 1 70 70 GLY C C 61 174.594 174.594 174.102 0.492 18221 6686 1 13 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.123 0.236 18221 6687 1 13 . 1 1 70 70 GLY H H 61 8.175 8.175 7.774 0.401 18221 6688 1 13 . 1 1 71 71 VAL N N 62 120.209 120.209 119.541 0.668 18221 6689 1 13 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.119 -0.113 18221 6690 1 13 . 1 1 71 71 VAL C C 62 176.077 176.077 175.926 0.151 18221 6691 1 13 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.065 -0.675 18221 6692 1 13 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.942 -0.244 18221 6693 1 13 . 1 1 71 71 VAL H H 62 7.882 7.882 8.177 -0.295 18221 6694 1 13 . 1 1 72 72 ALA N N 63 126.966 126.966 123.446 3.520 18221 6695 1 13 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.610 -0.584 18221 6696 1 13 . 1 1 72 72 ALA C C 63 178.064 178.064 175.890 2.174 18221 6697 1 13 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.872 0.631 18221 6698 1 13 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.831 -0.606 18221 6699 1 13 . 1 1 72 72 ALA H H 63 8.237 8.237 7.863 0.374 18221 6700 1 13 . 1 1 73 73 ALA N N 64 123.432 123.432 123.344 0.088 18221 6701 1 13 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.609 -0.594 18221 6702 1 13 . 1 1 73 73 ALA C C 64 178.995 178.995 176.487 2.508 18221 6703 1 13 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.970 2.451 18221 6704 1 13 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.847 -2.844 18221 6705 1 13 . 1 1 73 73 ALA H H 64 8.421 8.421 7.632 0.789 18221 6706 1 13 . 1 1 74 74 GLY N N 65 105.577 105.577 107.908 -2.331 18221 6707 1 13 . 1 1 74 74 GLY C C 65 176.367 176.367 175.175 1.192 18221 6708 1 13 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.573 1.671 18221 6709 1 13 . 1 1 74 74 GLY H H 65 8.448 8.448 8.040 0.408 18221 6710 1 13 . 1 1 75 75 SER N N 66 117.656 117.656 116.951 0.705 18221 6711 1 13 . 1 1 75 75 SER HA H 66 4.394 4.394 4.173 0.221 18221 6712 1 13 . 1 1 75 75 SER C C 66 176.329 176.329 176.468 -0.139 18221 6713 1 13 . 1 1 75 75 SER CA C 66 60.236 60.236 61.301 -1.065 18221 6714 1 13 . 1 1 75 75 SER CB C 66 62.476 62.476 63.153 -0.677 18221 6715 1 13 . 1 1 75 75 SER H H 66 7.899 7.899 8.485 -0.586 18221 6716 1 13 . 1 1 76 76 LEU N N 67 122.743 122.743 121.928 0.815 18221 6717 1 13 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.068 -0.018 18221 6718 1 13 . 1 1 76 76 LEU C C 67 178.442 178.442 178.927 -0.485 18221 6719 1 13 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.353 0.167 18221 6720 1 13 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.838 -0.157 18221 6721 1 13 . 1 1 76 76 LEU H H 67 7.955 7.955 8.018 -0.063 18221 6722 1 13 . 1 1 77 77 VAL N N 68 118.400 118.400 118.764 -0.364 18221 6723 1 13 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.515 -0.044 18221 6724 1 13 . 1 1 77 77 VAL C C 68 177.297 177.297 177.143 0.154 18221 6725 1 13 . 1 1 77 77 VAL CA C 68 66.670 66.670 65.754 0.916 18221 6726 1 13 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.395 -0.875 18221 6727 1 13 . 1 1 77 77 VAL H H 68 8.039 8.039 8.064 -0.025 18221 6728 1 13 . 1 1 78 78 ALA N N 69 121.927 121.927 122.368 -0.441 18221 6729 1 13 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.039 0.166 18221 6730 1 13 . 1 1 78 78 ALA C C 69 181.258 181.258 179.166 2.092 18221 6731 1 13 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.421 -0.439 18221 6732 1 13 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.180 -0.766 18221 6733 1 13 . 1 1 78 78 ALA H H 69 7.631 7.631 7.861 -0.230 18221 6734 1 13 . 1 1 79 79 ILE N N 70 119.782 119.782 116.985 2.797 18221 6735 1 13 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.927 -0.131 18221 6736 1 13 . 1 1 79 79 ILE C C 70 178.253 178.253 177.573 0.680 18221 6737 1 13 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.069 1.283 18221 6738 1 13 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.591 -0.518 18221 6739 1 13 . 1 1 79 79 ILE H H 70 7.841 7.841 7.727 0.114 18221 6740 1 13 . 1 1 80 80 LEU N N 71 120.841 120.841 122.457 -1.616 18221 6741 1 13 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.849 0.088 18221 6742 1 13 . 1 1 80 80 LEU C C 71 179.234 179.234 178.855 0.379 18221 6743 1 13 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.618 -0.773 18221 6744 1 13 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.885 -1.866 18221 6745 1 13 . 1 1 80 80 LEU H H 71 8.190 8.190 8.459 -0.269 18221 6746 1 13 . 1 1 81 81 GLN N N 72 117.558 117.558 117.227 0.331 18221 6747 1 13 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.981 -0.012 18221 6748 1 13 . 1 1 81 81 GLN C C 72 178.530 178.530 178.566 -0.036 18221 6749 1 13 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.785 0.034 18221 6750 1 13 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.126 -0.846 18221 6751 1 13 . 1 1 81 81 GLN H H 72 8.489 8.489 8.628 -0.139 18221 6752 1 13 . 1 1 82 82 SER N N 73 116.103 116.103 116.798 -0.695 18221 6753 1 13 . 1 1 82 82 SER HA H 73 4.233 4.233 4.141 0.092 18221 6754 1 13 . 1 1 82 82 SER C C 73 177.243 177.243 176.378 0.865 18221 6755 1 13 . 1 1 82 82 SER CA C 73 61.044 61.044 62.331 -1.286 18221 6756 1 13 . 1 1 82 82 SER CB C 73 62.257 62.257 63.174 -0.917 18221 6757 1 13 . 1 1 82 82 SER H H 73 7.855 7.855 8.132 -0.277 18221 6758 1 13 . 1 1 83 83 VAL N N 74 120.362 120.362 121.404 -1.042 18221 6759 1 13 . 1 1 83 83 VAL C C 74 177.979 177.979 177.593 0.386 18221 6760 1 13 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.217 -1.111 18221 6761 1 13 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.349 -0.608 18221 6762 1 13 . 1 1 83 83 VAL H H 74 8.030 8.030 8.111 -0.081 18221 6763 1 13 . 1 1 84 84 GLY N N 75 108.223 108.223 107.299 0.924 18221 6764 1 13 . 1 1 84 84 GLY C C 75 174.913 174.913 175.472 -0.559 18221 6765 1 13 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.156 -0.379 18221 6766 1 13 . 1 1 84 84 GLY H H 75 8.369 8.369 7.981 0.388 18221 6767 1 13 . 1 1 85 85 ALA N N 76 123.550 123.550 124.297 -0.747 18221 6768 1 13 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.197 -0.103 18221 6769 1 13 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.800 -0.202 18221 6770 1 13 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.387 -0.764 18221 6771 1 13 . 1 1 85 85 ALA H H 76 8.115 8.115 8.070 0.045 18221 6772 1 13 . 1 1 86 86 ALA N N 77 120.410 120.410 120.735 -0.325 18221 6773 1 13 . 1 1 86 86 ALA C C 77 178.988 178.988 179.532 -0.544 18221 6774 1 13 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.361 -0.525 18221 6775 1 13 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.146 -0.636 18221 6776 1 13 . 1 1 86 86 ALA H H 77 8.632 8.632 8.609 0.023 18221 6777 1 13 . 1 1 87 87 GLY N N 78 105.706 105.706 107.435 -1.729 18221 6778 1 13 . 1 1 87 87 GLY C C 78 175.939 175.939 176.001 -0.062 18221 6779 1 13 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.853 -0.735 18221 6780 1 13 . 1 1 87 87 GLY H H 78 8.196 8.196 7.925 0.271 18221 6781 1 13 . 1 1 88 88 LEU N N 79 124.128 124.128 122.402 1.726 18221 6782 1 13 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.422 -0.020 18221 6783 1 13 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.064 -0.677 18221 6784 1 13 . 1 1 88 88 LEU H H 79 8.449 8.449 8.153 0.296 18221 6785 1 13 . 1 1 89 89 SER N N 80 116.251 116.251 115.340 0.911 18221 6786 1 13 . 1 1 89 89 SER C C 80 179.153 179.153 176.526 2.627 18221 6787 1 13 . 1 1 89 89 SER CA C 80 61.023 61.023 62.346 -1.323 18221 6788 1 13 . 1 1 89 89 SER CB C 80 62.255 62.255 63.131 -0.876 18221 6789 1 13 . 1 1 89 89 SER H H 80 8.120 8.120 8.313 -0.193 18221 6790 1 13 . 1 1 90 90 VAL N N 81 119.310 119.310 122.099 -2.789 18221 6791 1 13 . 1 1 90 90 VAL C C 81 177.652 177.652 178.403 -0.751 18221 6792 1 13 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.359 -1.283 18221 6793 1 13 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.534 -0.204 18221 6794 1 13 . 1 1 90 90 VAL H H 81 7.955 7.955 8.218 -0.263 18221 6795 1 13 . 1 1 91 91 THR N N 82 115.535 115.535 116.275 -0.740 18221 6796 1 13 . 1 1 91 91 THR C C 82 176.571 176.571 176.792 -0.221 18221 6797 1 13 . 1 1 91 91 THR CA C 82 66.434 66.434 66.014 0.420 18221 6798 1 13 . 1 1 91 91 THR CB C 82 67.742 67.742 68.251 -0.509 18221 6799 1 13 . 1 1 91 91 THR H H 82 7.888 7.888 8.470 -0.582 18221 6800 1 13 . 1 1 92 92 SER N N 83 116.537 116.537 117.877 -1.340 18221 6801 1 13 . 1 1 92 92 SER HA H 83 4.040 4.040 3.981 0.059 18221 6802 1 13 . 1 1 92 92 SER C C 83 176.761 176.761 176.465 0.296 18221 6803 1 13 . 1 1 92 92 SER CA C 83 61.564 61.564 62.361 -0.797 18221 6804 1 13 . 1 1 92 92 SER CB C 83 62.009 62.009 62.892 -0.883 18221 6805 1 13 . 1 1 92 92 SER H H 83 8.212 8.212 8.216 -0.004 18221 6806 1 13 . 1 1 93 93 LYS N N 84 122.353 122.353 121.233 1.120 18221 6807 1 13 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.047 0.072 18221 6808 1 13 . 1 1 93 93 LYS C C 84 172.812 172.812 179.257 -6.445 18221 6809 1 13 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.293 -0.858 18221 6810 1 13 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.388 -0.911 18221 6811 1 13 . 1 1 93 93 LYS H H 84 7.642 7.642 8.315 -0.673 18221 6812 1 13 . 1 1 94 94 VAL N N 85 119.348 119.348 118.510 0.838 18221 6813 1 13 . 1 1 94 94 VAL C C 85 177.948 177.948 177.272 0.676 18221 6814 1 13 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.755 -0.366 18221 6815 1 13 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.841 0.005 18221 6816 1 13 . 1 1 94 94 VAL H H 85 8.414 8.414 7.646 0.768 18221 6817 1 13 . 1 1 95 95 ILE N N 86 118.769 118.769 117.118 1.651 18221 6818 1 13 . 1 1 95 95 ILE C C 86 177.972 177.972 175.825 2.147 18221 6819 1 13 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.631 0.206 18221 6820 1 13 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.972 -2.340 18221 6821 1 13 . 1 1 95 95 ILE H H 86 8.169 8.169 7.581 0.588 18221 6822 1 13 . 1 1 96 96 GLY N N 87 107.955 107.955 103.773 4.182 18221 6823 1 13 . 1 1 96 96 GLY C C 87 176.571 176.571 173.856 2.715 18221 6824 1 13 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.436 2.075 18221 6825 1 13 . 1 1 96 96 GLY H H 87 8.182 8.182 8.171 0.011 18221 6826 1 13 . 1 1 97 97 GLY N N 88 109.117 109.117 112.106 -2.989 18221 6827 1 13 . 1 1 97 97 GLY C C 88 175.524 175.524 174.159 1.365 18221 6828 1 13 . 1 1 97 97 GLY CA C 88 45.832 45.832 44.985 0.847 18221 6829 1 13 . 1 1 97 97 GLY H H 88 7.953 7.953 9.129 -1.176 18221 6830 1 13 . 1 1 98 98 PHE N N 89 121.100 121.100 118.147 2.953 18221 6831 1 13 . 1 1 98 98 PHE C C 89 176.367 176.367 174.403 1.964 18221 6832 1 13 . 1 1 98 98 PHE CA C 89 56.900 56.900 56.877 0.023 18221 6833 1 13 . 1 1 98 98 PHE CB C 89 38.832 38.832 37.340 1.492 18221 6834 1 13 . 1 1 98 98 PHE H H 89 8.000 8.000 7.811 0.189 18221 6835 1 13 . 1 1 99 99 ALA N N 90 122.834 122.834 122.148 0.686 18221 6836 1 13 . 1 1 99 99 ALA C C 90 178.348 178.348 175.585 2.763 18221 6837 1 13 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.221 3.056 18221 6838 1 13 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.691 -1.276 18221 6839 1 13 . 1 1 99 99 ALA H H 90 8.322 8.322 8.208 0.114 18221 6840 1 13 . 1 1 100 100 GLY N N 91 106.688 106.688 104.627 2.061 18221 6841 1 13 . 1 1 100 100 GLY C C 91 175.878 175.878 173.839 2.039 18221 6842 1 13 . 1 1 100 100 GLY CA C 91 45.626 45.626 44.365 1.261 18221 6843 1 13 . 1 1 100 100 GLY H H 91 8.000 8.000 7.815 0.185 18221 6844 1 13 . 1 1 101 101 THR N N 92 115.689 115.689 119.474 -3.785 18221 6845 1 13 . 1 1 101 101 THR C C 92 178.476 178.476 174.294 4.182 18221 6846 1 13 . 1 1 101 101 THR CA C 92 63.364 63.364 61.678 1.686 18221 6847 1 13 . 1 1 101 101 THR CB C 92 69.619 69.619 68.058 1.561 18221 6848 1 13 . 1 1 101 101 THR H H 92 7.754 7.754 8.434 -0.680 18221 6849 1 13 . 1 1 102 102 ALA N N 93 124.835 124.835 126.819 -1.984 18221 6850 1 13 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.425 2.886 18221 6851 1 13 . 1 1 102 102 ALA CB C 93 17.679 17.679 17.990 -0.311 18221 6852 1 13 . 1 1 102 102 ALA H H 93 7.919 7.919 7.978 -0.059 18221 6853 1 13 . 1 1 103 103 LEU N N 94 117.445 117.445 123.934 -6.489 18221 6854 1 13 . 1 1 103 103 LEU CA C 94 56.782 56.782 53.775 3.007 18221 6855 1 13 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.015 -0.113 18221 6856 1 13 . 1 1 103 103 LEU H H 94 8.037 8.037 7.962 0.075 18221 6857 1 13 . 1 1 104 104 GLY N N 95 106.296 106.296 110.901 -4.605 18221 6858 1 13 . 1 1 104 104 GLY C C 95 175.851 175.851 173.733 2.118 18221 6859 1 13 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.664 1.906 18221 6860 1 13 . 1 1 104 104 GLY H H 95 7.900 7.900 7.733 0.167 18221 6861 1 13 . 1 1 105 105 ALA N N 96 123.872 123.872 125.419 -1.547 18221 6862 1 13 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.921 2.205 18221 6863 1 13 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.043 -1.456 18221 6864 1 13 . 1 1 105 105 ALA H H 96 7.804 7.804 8.166 -0.362 18221 6865 1 13 . 1 1 106 106 TRP N N 97 120.348 120.348 123.740 -3.392 18221 6866 1 13 . 1 1 106 106 TRP C C 97 176.857 176.857 175.435 1.422 18221 6867 1 13 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.469 1.431 18221 6868 1 13 . 1 1 106 106 TRP H H 97 8.385 8.385 7.839 0.546 18221 6869 1 13 . 1 1 107 107 LEU N N 98 117.756 117.756 125.766 -8.010 18221 6870 1 13 . 1 1 107 107 LEU C C 98 177.659 177.659 178.022 -0.363 18221 6871 1 13 . 1 1 107 107 LEU CA C 98 55.103 55.103 56.126 -1.023 18221 6872 1 13 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.761 -0.343 18221 6873 1 13 . 1 1 107 107 LEU H H 98 7.880 7.880 7.888 -0.008 18221 6874 1 13 . 1 1 108 108 GLY N N 99 107.285 107.285 107.658 -0.373 18221 6875 1 13 . 1 1 108 108 GLY C C 99 173.815 173.815 174.488 -0.673 18221 6876 1 13 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.394 -0.447 18221 6877 1 13 . 1 1 108 108 GLY H H 99 7.694 7.694 8.555 -0.861 18221 6878 1 13 . 1 1 109 109 SER N N 100 117.139 117.139 117.272 -0.133 18221 6879 1 13 . 1 1 109 109 SER C C 100 172.179 172.179 172.349 -0.170 18221 6880 1 13 . 1 1 109 109 SER CA C 100 56.015 56.015 58.354 -2.339 18221 6881 1 13 . 1 1 109 109 SER CB C 100 62.771 62.771 63.828 -1.057 18221 6882 1 13 . 1 1 109 109 SER H H 100 8.030 8.030 8.495 -0.465 18221 6883 1 13 . 1 1 111 111 PRO C C 102 177.073 177.073 175.827 1.246 18221 6884 1 13 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.120 -0.920 18221 6885 1 13 . 1 1 111 111 PRO CB C 102 31.211 31.211 30.202 1.009 18221 6886 1 13 . 1 1 112 112 SER N N 103 117.115 117.115 118.570 -1.455 18221 6887 1 13 . 1 1 112 112 SER C C 103 173.898 173.898 173.453 0.445 18221 6888 1 13 . 1 1 112 112 SER CA C 103 57.904 57.904 58.157 -0.253 18221 6889 1 13 . 1 1 112 112 SER CB C 103 63.360 63.360 64.626 -1.266 18221 6890 1 13 . 1 1 112 112 SER H H 103 8.345 8.345 7.829 0.516 18221 6891 1 14 . 1 1 11 11 GLY N N 2 109.366 109.366 109.604 -0.238 18221 6892 1 14 . 1 1 11 11 GLY C C 2 174.543 174.543 173.840 0.703 18221 6893 1 14 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.192 0.503 18221 6894 1 14 . 1 1 11 11 GLY H H 2 8.271 8.271 8.489 -0.218 18221 6895 1 14 . 1 1 12 12 LYS N N 3 121.129 121.129 120.691 0.438 18221 6896 1 14 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.143 -0.011 18221 6897 1 14 . 1 1 12 12 LYS C C 3 177.234 177.234 176.026 1.208 18221 6898 1 14 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.160 0.652 18221 6899 1 14 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.082 -0.236 18221 6900 1 14 . 1 1 12 12 LYS H H 3 8.057 8.057 8.142 -0.085 18221 6901 1 14 . 1 1 13 13 GLU N N 4 120.318 120.318 122.137 -1.819 18221 6902 1 14 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.201 -0.046 18221 6903 1 14 . 1 1 13 13 GLU C C 4 176.857 176.857 176.985 -0.128 18221 6904 1 14 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.670 -0.800 18221 6905 1 14 . 1 1 13 13 GLU CB C 4 28.388 28.388 29.816 -1.428 18221 6906 1 14 . 1 1 13 13 GLU H H 4 8.398 8.398 8.566 -0.168 18221 6907 1 14 . 1 1 14 14 SER N N 5 115.504 115.504 115.847 -0.343 18221 6908 1 14 . 1 1 14 14 SER HA H 5 3.843 3.843 4.350 -0.507 18221 6909 1 14 . 1 1 14 14 SER C C 5 175.337 175.337 174.072 1.265 18221 6910 1 14 . 1 1 14 14 SER CA C 5 58.524 58.524 59.334 -0.810 18221 6911 1 14 . 1 1 14 14 SER CB C 5 63.360 63.360 63.599 -0.239 18221 6912 1 14 . 1 1 14 14 SER H H 5 8.089 8.089 8.154 -0.065 18221 6913 1 14 . 1 1 15 15 GLY N N 6 110.761 110.761 113.375 -2.614 18221 6914 1 14 . 1 1 15 15 GLY C C 6 174.581 174.581 173.667 0.914 18221 6915 1 14 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.641 0.925 18221 6916 1 14 . 1 1 15 15 GLY H H 6 8.197 8.197 8.347 -0.150 18221 6917 1 14 . 1 1 16 16 TRP N N 7 121.800 121.800 123.050 -1.250 18221 6918 1 14 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.451 0.109 18221 6919 1 14 . 1 1 16 16 TRP C C 7 176.920 176.920 176.453 0.467 18221 6920 1 14 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.130 0.951 18221 6921 1 14 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.161 -1.482 18221 6922 1 14 . 1 1 16 16 TRP H H 7 8.184 8.184 8.392 -0.208 18221 6923 1 14 . 1 1 17 17 ASP N N 8 121.132 121.132 120.463 0.669 18221 6924 1 14 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.698 -0.303 18221 6925 1 14 . 1 1 17 17 ASP C C 8 176.941 176.941 175.506 1.435 18221 6926 1 14 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.430 2.814 18221 6927 1 14 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.421 -1.476 18221 6928 1 14 . 1 1 17 17 ASP H H 8 8.332 8.332 8.205 0.127 18221 6929 1 14 . 1 1 18 18 SER N N 9 116.148 116.148 118.567 -2.419 18221 6930 1 14 . 1 1 18 18 SER HA H 9 3.861 3.861 4.559 -0.698 18221 6931 1 14 . 1 1 18 18 SER CA C 9 60.081 60.081 58.187 1.895 18221 6932 1 14 . 1 1 18 18 SER CB C 9 62.255 62.255 64.046 -1.791 18221 6933 1 14 . 1 1 18 18 SER H H 9 8.129 8.129 8.578 -0.449 18221 6934 1 14 . 1 1 19 19 GLY N N 10 110.747 110.747 112.208 -1.461 18221 6935 1 14 . 1 1 19 19 GLY C C 10 174.682 174.682 175.249 -0.567 18221 6936 1 14 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.731 1.869 18221 6937 1 14 . 1 1 19 19 GLY H H 10 8.216 8.216 8.670 -0.454 18221 6938 1 14 . 1 1 20 20 ARG N N 11 121.405 121.405 119.507 1.898 18221 6939 1 14 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.057 -0.200 18221 6940 1 14 . 1 1 20 20 ARG C C 11 178.328 178.328 179.064 -0.736 18221 6941 1 14 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.636 0.449 18221 6942 1 14 . 1 1 20 20 ARG CB C 11 29.047 29.047 29.848 -0.801 18221 6943 1 14 . 1 1 20 20 ARG H H 11 8.158 8.158 8.548 -0.390 18221 6944 1 14 . 1 1 21 21 ALA N N 12 122.167 122.167 122.183 -0.016 18221 6945 1 14 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.089 0.011 18221 6946 1 14 . 1 1 21 21 ALA C C 12 180.129 180.129 179.509 0.620 18221 6947 1 14 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.653 -0.261 18221 6948 1 14 . 1 1 21 21 ALA CB C 12 17.414 17.414 18.011 -0.597 18221 6949 1 14 . 1 1 21 21 ALA H H 12 7.963 7.963 8.419 -0.456 18221 6950 1 14 . 1 1 22 22 ALA N N 13 122.150 122.150 121.445 0.705 18221 6951 1 14 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.997 0.040 18221 6952 1 14 . 1 1 22 22 ALA C C 13 179.095 179.095 179.825 -0.730 18221 6953 1 14 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.944 -0.228 18221 6954 1 14 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.138 -0.577 18221 6955 1 14 . 1 1 22 22 ALA H H 13 7.881 7.881 8.113 -0.232 18221 6956 1 14 . 1 1 23 23 VAL N N 14 117.107 117.107 119.118 -2.011 18221 6957 1 14 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.602 -0.122 18221 6958 1 14 . 1 1 23 23 VAL C C 14 177.586 177.586 177.657 -0.071 18221 6959 1 14 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.039 0.159 18221 6960 1 14 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.560 -1.040 18221 6961 1 14 . 1 1 23 23 VAL H H 14 7.888 7.888 8.145 -0.257 18221 6962 1 14 . 1 1 24 24 ALA N N 15 121.333 121.333 121.233 0.100 18221 6963 1 14 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.952 0.029 18221 6964 1 14 . 1 1 24 24 ALA C C 15 180.373 180.373 179.372 1.001 18221 6965 1 14 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.250 -0.239 18221 6966 1 14 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.761 -0.509 18221 6967 1 14 . 1 1 24 24 ALA H H 15 8.037 8.037 7.698 0.339 18221 6968 1 14 . 1 1 25 25 ALA N N 16 121.158 121.158 118.953 2.205 18221 6969 1 14 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.111 0.035 18221 6970 1 14 . 1 1 25 25 ALA C C 16 179.828 179.828 178.884 0.944 18221 6971 1 14 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.590 -0.139 18221 6972 1 14 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.535 -1.048 18221 6973 1 14 . 1 1 25 25 ALA H H 16 7.819 7.819 7.812 0.007 18221 6974 1 14 . 1 1 26 26 VAL N N 17 118.417 118.417 116.772 1.645 18221 6975 1 14 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.869 -0.091 18221 6976 1 14 . 1 1 26 26 VAL C C 17 178.020 178.020 176.903 1.117 18221 6977 1 14 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.935 1.643 18221 6978 1 14 . 1 1 26 26 VAL CB C 17 31.085 31.085 32.084 -1.000 18221 6979 1 14 . 1 1 26 26 VAL H H 17 7.848 7.848 7.375 0.473 18221 6980 1 14 . 1 1 27 27 VAL N N 18 119.240 119.240 118.656 0.584 18221 6981 1 14 . 1 1 27 27 VAL C C 18 177.719 177.719 177.300 0.419 18221 6982 1 14 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.462 1.529 18221 6983 1 14 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.344 -2.157 18221 6984 1 14 . 1 1 27 27 VAL H H 18 8.377 8.377 7.670 0.707 18221 6985 1 14 . 1 1 28 28 GLY N N 19 106.009 106.009 107.411 -1.402 18221 6986 1 14 . 1 1 28 28 GLY C C 19 176.212 176.212 174.461 1.751 18221 6987 1 14 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.492 -0.248 18221 6988 1 14 . 1 1 28 28 GLY H H 19 8.122 8.122 8.408 -0.286 18221 6989 1 14 . 1 1 29 29 GLY N N 20 110.216 110.216 113.143 -2.927 18221 6990 1 14 . 1 1 29 29 GLY C C 20 174.097 174.097 174.721 -0.624 18221 6991 1 14 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.959 1.375 18221 6992 1 14 . 1 1 29 29 GLY H H 20 8.039 8.039 8.116 -0.077 18221 6993 1 14 . 1 1 30 30 VAL N N 21 121.188 121.188 122.775 -1.587 18221 6994 1 14 . 1 1 30 30 VAL C C 21 177.073 177.073 177.736 -0.663 18221 6995 1 14 . 1 1 30 30 VAL CA C 21 62.574 62.574 64.950 -2.376 18221 6996 1 14 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.437 -0.647 18221 6997 1 14 . 1 1 30 30 VAL H H 21 7.983 7.983 7.899 0.084 18221 6998 1 14 . 1 1 32 32 ALA N N 23 125.091 125.091 121.248 3.843 18221 6999 1 14 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.063 0.197 18221 7000 1 14 . 1 1 32 32 ALA C C 23 179.523 179.523 179.903 -0.380 18221 7001 1 14 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.038 -1.355 18221 7002 1 14 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.808 -1.425 18221 7003 1 14 . 1 1 32 32 ALA H H 23 8.036 8.036 8.269 -0.233 18221 7004 1 14 . 1 1 33 33 VAL N N 24 118.793 118.793 117.839 0.954 18221 7005 1 14 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.613 0.095 18221 7006 1 14 . 1 1 33 33 VAL C C 24 177.901 177.901 178.256 -0.355 18221 7007 1 14 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.859 -0.429 18221 7008 1 14 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.465 -0.147 18221 7009 1 14 . 1 1 33 33 VAL H H 24 8.195 8.195 7.931 0.264 18221 7010 1 14 . 1 1 34 34 GLY N N 25 108.367 108.367 108.127 0.240 18221 7011 1 14 . 1 1 34 34 GLY C C 25 175.424 175.424 175.799 -0.375 18221 7012 1 14 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.532 -0.198 18221 7013 1 14 . 1 1 34 34 GLY H H 25 8.651 8.651 8.374 0.277 18221 7014 1 14 . 1 1 35 35 THR N N 26 116.448 116.448 119.466 -3.018 18221 7015 1 14 . 1 1 35 35 THR C C 26 176.843 176.843 177.027 -0.184 18221 7016 1 14 . 1 1 35 35 THR CA C 26 65.962 65.962 66.743 -0.781 18221 7017 1 14 . 1 1 35 35 THR CB C 26 68.414 68.414 68.493 -0.079 18221 7018 1 14 . 1 1 35 35 THR H H 26 7.975 7.975 8.358 -0.383 18221 7019 1 14 . 1 1 36 36 VAL N N 27 122.810 122.810 119.772 3.038 18221 7020 1 14 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.684 0.035 18221 7021 1 14 . 1 1 36 36 VAL C C 27 177.618 177.618 177.289 0.329 18221 7022 1 14 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.090 -0.364 18221 7023 1 14 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.159 -0.492 18221 7024 1 14 . 1 1 36 36 VAL H H 27 7.559 7.559 8.080 -0.521 18221 7025 1 14 . 1 1 37 37 LEU N N 28 119.566 119.566 121.946 -2.380 18221 7026 1 14 . 1 1 37 37 LEU HA H 28 3.953 3.953 4.011 -0.058 18221 7027 1 14 . 1 1 37 37 LEU C C 28 179.666 179.666 178.695 0.971 18221 7028 1 14 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.334 -0.489 18221 7029 1 14 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.941 -1.775 18221 7030 1 14 . 1 1 37 37 LEU H H 28 8.086 8.086 7.726 0.360 18221 7031 1 14 . 1 1 38 38 VAL N N 29 119.468 119.468 118.487 0.981 18221 7032 1 14 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.589 0.064 18221 7033 1 14 . 1 1 38 38 VAL C C 29 178.639 178.639 177.518 1.121 18221 7034 1 14 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.520 -0.048 18221 7035 1 14 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.500 -0.891 18221 7036 1 14 . 1 1 38 38 VAL H H 29 8.066 8.066 8.430 -0.364 18221 7037 1 14 . 1 1 39 39 ALA N N 30 124.255 124.255 123.088 1.167 18221 7038 1 14 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.020 0.145 18221 7039 1 14 . 1 1 39 39 ALA C C 30 180.303 180.303 179.140 1.163 18221 7040 1 14 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.304 -0.470 18221 7041 1 14 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.204 -0.496 18221 7042 1 14 . 1 1 39 39 ALA H H 30 7.688 7.688 7.934 -0.246 18221 7043 1 14 . 1 1 40 40 LEU N N 31 118.268 118.268 118.129 0.139 18221 7044 1 14 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.017 0.124 18221 7045 1 14 . 1 1 40 40 LEU C C 31 179.271 179.271 178.798 0.473 18221 7046 1 14 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.389 -0.311 18221 7047 1 14 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.051 -1.149 18221 7048 1 14 . 1 1 40 40 LEU H H 31 8.326 8.326 8.198 0.128 18221 7049 1 14 . 1 1 41 41 SER N N 32 114.984 114.984 114.202 0.782 18221 7050 1 14 . 1 1 41 41 SER HA H 32 3.952 3.952 4.216 -0.264 18221 7051 1 14 . 1 1 41 41 SER C C 32 176.284 176.284 176.233 0.051 18221 7052 1 14 . 1 1 41 41 SER CA C 32 60.885 60.885 61.038 -0.153 18221 7053 1 14 . 1 1 41 41 SER CB C 32 62.410 62.410 63.418 -1.008 18221 7054 1 14 . 1 1 41 41 SER H H 32 8.062 8.062 8.097 -0.035 18221 7055 1 14 . 1 1 42 42 ALA N N 33 124.588 124.588 125.586 -0.998 18221 7056 1 14 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.063 0.162 18221 7057 1 14 . 1 1 42 42 ALA C C 33 179.033 179.033 179.687 -0.654 18221 7058 1 14 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.774 -1.061 18221 7059 1 14 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.205 -0.276 18221 7060 1 14 . 1 1 42 42 ALA H H 33 7.813 7.813 8.306 -0.493 18221 7061 1 14 . 1 1 43 43 MET N N 34 116.808 116.808 117.102 -0.294 18221 7062 1 14 . 1 1 43 43 MET HA H 34 4.285 4.285 4.347 -0.062 18221 7063 1 14 . 1 1 43 43 MET C C 34 176.807 176.807 175.705 1.102 18221 7064 1 14 . 1 1 43 43 MET CA C 34 56.576 56.576 55.027 1.549 18221 7065 1 14 . 1 1 43 43 MET CB C 34 32.435 32.435 31.016 1.419 18221 7066 1 14 . 1 1 43 43 MET H H 34 7.691 7.691 7.609 0.082 18221 7067 1 14 . 1 1 44 44 GLY N N 35 107.020 107.020 107.138 -0.118 18221 7068 1 14 . 1 1 44 44 GLY C C 35 174.493 174.493 173.909 0.584 18221 7069 1 14 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.847 0.218 18221 7070 1 14 . 1 1 44 44 GLY H H 35 7.793 7.793 8.115 -0.322 18221 7071 1 14 . 1 1 45 45 PHE N N 36 120.285 120.285 120.670 -0.385 18221 7072 1 14 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.184 0.323 18221 7073 1 14 . 1 1 45 45 PHE C C 36 176.876 176.876 174.379 2.497 18221 7074 1 14 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.914 0.022 18221 7075 1 14 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.449 -1.270 18221 7076 1 14 . 1 1 45 45 PHE H H 36 8.215 8.215 8.486 -0.271 18221 7077 1 14 . 1 1 46 46 THR N N 37 114.008 114.008 117.720 -3.712 18221 7078 1 14 . 1 1 46 46 THR HA H 37 4.080 4.080 3.850 0.230 18221 7079 1 14 . 1 1 46 46 THR C C 37 175.751 175.751 173.200 2.551 18221 7080 1 14 . 1 1 46 46 THR CA C 37 64.220 64.220 63.238 0.982 18221 7081 1 14 . 1 1 46 46 THR CB C 37 68.514 68.514 69.423 -0.909 18221 7082 1 14 . 1 1 46 46 THR H H 37 8.111 8.111 7.694 0.417 18221 7083 1 14 . 1 1 47 47 SER N N 38 116.646 116.646 114.974 1.672 18221 7084 1 14 . 1 1 47 47 SER HA H 38 3.918 3.918 4.514 -0.596 18221 7085 1 14 . 1 1 47 47 SER C C 38 176.744 176.744 174.909 1.835 18221 7086 1 14 . 1 1 47 47 SER CA C 38 59.911 59.911 59.728 0.183 18221 7087 1 14 . 1 1 47 47 SER CB C 38 62.624 62.624 63.482 -0.858 18221 7088 1 14 . 1 1 47 47 SER H H 38 8.079 8.079 8.340 -0.261 18221 7089 1 14 . 1 1 48 48 VAL N N 39 121.929 121.929 121.807 0.122 18221 7090 1 14 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.815 0.094 18221 7091 1 14 . 1 1 48 48 VAL C C 39 177.033 177.033 177.423 -0.390 18221 7092 1 14 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.984 -0.996 18221 7093 1 14 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.552 0.115 18221 7094 1 14 . 1 1 48 48 VAL H H 39 7.985 7.985 8.133 -0.148 18221 7095 1 14 . 1 1 49 49 GLY N N 40 108.633 108.633 108.855 -0.222 18221 7096 1 14 . 1 1 49 49 GLY C C 40 176.038 176.038 176.488 -0.450 18221 7097 1 14 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.453 -0.588 18221 7098 1 14 . 1 1 49 49 GLY H H 40 8.267 8.267 8.308 -0.041 18221 7099 1 14 . 1 1 50 50 ILE N N 41 122.466 122.466 123.354 -0.888 18221 7100 1 14 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.667 0.204 18221 7101 1 14 . 1 1 50 50 ILE C C 41 178.363 178.363 177.507 0.856 18221 7102 1 14 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.515 0.000 18221 7103 1 14 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.797 -0.559 18221 7104 1 14 . 1 1 50 50 ILE H H 41 7.865 7.865 7.921 -0.056 18221 7105 1 14 . 1 1 51 51 ALA N N 42 125.064 125.064 121.195 3.869 18221 7106 1 14 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.812 0.287 18221 7107 1 14 . 1 1 51 51 ALA C C 42 179.385 179.385 179.349 0.036 18221 7108 1 14 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.425 -0.945 18221 7109 1 14 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.765 -0.278 18221 7110 1 14 . 1 1 51 51 ALA H H 42 7.930 7.930 8.421 -0.491 18221 7111 1 14 . 1 1 52 52 ALA N N 43 120.594 120.594 119.879 0.715 18221 7112 1 14 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.939 -0.002 18221 7113 1 14 . 1 1 52 52 ALA C C 43 179.088 179.088 180.156 -1.068 18221 7114 1 14 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.877 0.223 18221 7115 1 14 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.845 -0.210 18221 7116 1 14 . 1 1 52 52 ALA H H 43 8.639 8.639 8.118 0.521 18221 7117 1 14 . 1 1 53 53 SER N N 44 113.012 113.012 114.886 -1.874 18221 7118 1 14 . 1 1 53 53 SER HA H 44 3.966 3.966 4.130 -0.164 18221 7119 1 14 . 1 1 53 53 SER C C 44 176.898 176.898 176.853 0.045 18221 7120 1 14 . 1 1 53 53 SER CA C 44 61.139 61.139 61.886 -0.747 18221 7121 1 14 . 1 1 53 53 SER CB C 44 62.347 62.347 63.086 -0.739 18221 7122 1 14 . 1 1 53 53 SER H H 44 8.193 8.193 8.112 0.081 18221 7123 1 14 . 1 1 54 54 SER N N 45 118.714 118.714 118.653 0.061 18221 7124 1 14 . 1 1 54 54 SER HA H 45 3.975 3.975 4.107 -0.132 18221 7125 1 14 . 1 1 54 54 SER C C 45 177.131 177.131 176.789 0.342 18221 7126 1 14 . 1 1 54 54 SER CA C 45 61.210 61.210 62.105 -0.895 18221 7127 1 14 . 1 1 54 54 SER CB C 45 62.255 62.255 63.096 -0.841 18221 7128 1 14 . 1 1 54 54 SER H H 45 7.944 7.944 8.527 -0.583 18221 7129 1 14 . 1 1 55 55 ILE N N 46 122.912 122.912 120.837 2.075 18221 7130 1 14 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.729 0.028 18221 7131 1 14 . 1 1 55 55 ILE C C 46 177.813 177.813 177.811 0.002 18221 7132 1 14 . 1 1 55 55 ILE CA C 46 64.191 64.191 63.959 0.232 18221 7133 1 14 . 1 1 55 55 ILE CB C 46 36.926 36.926 36.840 0.085 18221 7134 1 14 . 1 1 55 55 ILE H H 46 8.028 8.028 8.630 -0.602 18221 7135 1 14 . 1 1 56 56 ALA N N 47 122.990 122.990 121.928 1.062 18221 7136 1 14 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.060 -0.104 18221 7137 1 14 . 1 1 56 56 ALA C C 47 180.294 180.294 178.989 1.305 18221 7138 1 14 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.479 -0.141 18221 7139 1 14 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.721 -1.019 18221 7140 1 14 . 1 1 56 56 ALA H H 47 8.333 8.333 7.837 0.496 18221 7141 1 14 . 1 1 57 57 ALA N N 48 121.988 121.988 121.566 0.422 18221 7142 1 14 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.189 -0.121 18221 7143 1 14 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.883 1.538 18221 7144 1 14 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.587 -1.885 18221 7145 1 14 . 1 1 57 57 ALA H H 48 7.879 7.879 7.871 0.008 18221 7146 1 14 . 1 1 58 58 LYS N N 49 119.094 119.094 116.413 2.681 18221 7147 1 14 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.059 0.087 18221 7148 1 14 . 1 1 58 58 LYS C C 49 179.649 179.649 174.796 4.853 18221 7149 1 14 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.182 -0.025 18221 7150 1 14 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.373 -1.043 18221 7151 1 14 . 1 1 58 58 LYS H H 49 7.727 7.727 8.209 -0.482 18221 7152 1 14 . 1 1 59 59 MET N N 50 120.498 120.498 121.133 -0.635 18221 7153 1 14 . 1 1 59 59 MET HA H 50 4.156 4.156 4.637 -0.481 18221 7154 1 14 . 1 1 59 59 MET C C 50 177.949 177.949 174.063 3.886 18221 7155 1 14 . 1 1 59 59 MET CA C 50 57.136 57.136 55.182 1.954 18221 7156 1 14 . 1 1 59 59 MET CB C 50 31.922 31.922 33.919 -1.997 18221 7157 1 14 . 1 1 59 59 MET H H 50 8.395 8.395 8.342 0.053 18221 7158 1 14 . 1 1 60 60 MET N N 51 117.689 117.689 118.836 -1.147 18221 7159 1 14 . 1 1 60 60 MET HA H 51 4.222 4.222 4.766 -0.544 18221 7160 1 14 . 1 1 60 60 MET C C 51 177.674 177.674 176.444 1.230 18221 7161 1 14 . 1 1 60 60 MET CA C 51 57.638 57.638 55.817 1.821 18221 7162 1 14 . 1 1 60 60 MET CB C 51 31.785 31.785 33.653 -1.868 18221 7163 1 14 . 1 1 60 60 MET H H 51 8.234 8.234 8.510 -0.276 18221 7164 1 14 . 1 1 61 61 SER N N 52 114.385 114.385 117.699 -3.314 18221 7165 1 14 . 1 1 61 61 SER HA H 52 4.001 4.001 4.481 -0.480 18221 7166 1 14 . 1 1 61 61 SER C C 52 176.079 176.079 174.657 1.422 18221 7167 1 14 . 1 1 61 61 SER CA C 52 59.911 59.911 58.298 1.613 18221 7168 1 14 . 1 1 61 61 SER CB C 52 62.624 62.624 63.777 -1.153 18221 7169 1 14 . 1 1 61 61 SER H H 52 7.893 7.893 8.027 -0.134 18221 7170 1 14 . 1 1 62 62 THR N N 53 117.304 117.304 119.988 -2.684 18221 7171 1 14 . 1 1 62 62 THR HA H 53 4.104 4.104 4.137 -0.033 18221 7172 1 14 . 1 1 62 62 THR C C 53 175.436 175.436 175.161 0.275 18221 7173 1 14 . 1 1 62 62 THR CA C 53 64.220 64.220 63.692 0.528 18221 7174 1 14 . 1 1 62 62 THR CB C 53 68.514 68.514 69.294 -0.780 18221 7175 1 14 . 1 1 62 62 THR H H 53 7.794 7.794 8.387 -0.593 18221 7176 1 14 . 1 1 63 63 ALA N N 54 125.382 125.382 131.314 -5.932 18221 7177 1 14 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.021 0.073 18221 7178 1 14 . 1 1 63 63 ALA C C 54 178.328 178.328 177.682 0.646 18221 7179 1 14 . 1 1 63 63 ALA CA C 54 54.096 54.096 54.741 -0.645 18221 7180 1 14 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.155 -1.447 18221 7181 1 14 . 1 1 63 63 ALA H H 54 8.204 8.204 8.833 -0.629 18221 7182 1 14 . 1 1 64 64 ALA N N 55 119.929 119.929 118.716 1.213 18221 7183 1 14 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.344 -0.219 18221 7184 1 14 . 1 1 64 64 ALA C C 55 179.183 179.183 176.409 2.774 18221 7185 1 14 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.107 1.930 18221 7186 1 14 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.875 -2.167 18221 7187 1 14 . 1 1 64 64 ALA H H 55 7.951 7.951 7.957 -0.006 18221 7188 1 14 . 1 1 65 65 ILE N N 56 117.016 117.016 118.652 -1.636 18221 7189 1 14 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.230 -0.280 18221 7190 1 14 . 1 1 65 65 ILE C C 56 177.222 177.222 173.877 3.345 18221 7191 1 14 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.334 -0.150 18221 7192 1 14 . 1 1 65 65 ILE CB C 56 37.073 37.073 39.486 -2.413 18221 7193 1 14 . 1 1 65 65 ILE H H 56 7.561 7.561 7.655 -0.094 18221 7194 1 14 . 1 1 66 66 ALA N N 57 124.191 124.191 131.909 -7.718 18221 7195 1 14 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.371 -0.194 18221 7196 1 14 . 1 1 66 66 ALA C C 57 178.190 178.190 175.878 2.312 18221 7197 1 14 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.581 0.955 18221 7198 1 14 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.589 -1.660 18221 7199 1 14 . 1 1 66 66 ALA H H 57 7.982 7.982 8.681 -0.699 18221 7200 1 14 . 1 1 67 67 ASN N N 58 116.132 116.132 119.306 -3.174 18221 7201 1 14 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.461 0.212 18221 7202 1 14 . 1 1 67 67 ASN C C 58 176.344 176.344 176.184 0.160 18221 7203 1 14 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.211 0.266 18221 7204 1 14 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.818 -0.346 18221 7205 1 14 . 1 1 67 67 ASN H H 58 8.113 8.113 8.601 -0.488 18221 7206 1 14 . 1 1 68 68 GLY N N 59 108.808 108.808 111.986 -3.178 18221 7207 1 14 . 1 1 68 68 GLY C C 59 174.958 174.958 173.915 1.043 18221 7208 1 14 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.654 0.001 18221 7209 1 14 . 1 1 68 68 GLY H H 59 8.152 8.152 8.525 -0.373 18221 7210 1 14 . 1 1 69 69 GLY N N 60 108.832 108.832 112.558 -3.726 18221 7211 1 14 . 1 1 69 69 GLY C C 60 174.631 174.631 174.891 -0.260 18221 7212 1 14 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.396 1.023 18221 7213 1 14 . 1 1 69 69 GLY H H 60 8.218 8.218 8.100 0.118 18221 7214 1 14 . 1 1 70 70 GLY N N 61 108.966 108.966 110.687 -1.721 18221 7215 1 14 . 1 1 70 70 GLY C C 61 174.594 174.594 174.312 0.282 18221 7216 1 14 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.965 0.396 18221 7217 1 14 . 1 1 70 70 GLY H H 61 8.175 8.175 8.359 -0.184 18221 7218 1 14 . 1 1 71 71 VAL N N 62 120.209 120.209 117.565 2.644 18221 7219 1 14 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.717 0.289 18221 7220 1 14 . 1 1 71 71 VAL C C 62 176.077 176.077 175.476 0.601 18221 7221 1 14 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.544 -0.154 18221 7222 1 14 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.140 0.558 18221 7223 1 14 . 1 1 71 71 VAL H H 62 7.882 7.882 8.200 -0.318 18221 7224 1 14 . 1 1 72 72 ALA N N 63 126.966 126.966 125.538 1.428 18221 7225 1 14 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.082 -0.056 18221 7226 1 14 . 1 1 72 72 ALA C C 63 178.064 178.064 176.381 1.683 18221 7227 1 14 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.573 -0.070 18221 7228 1 14 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.023 -0.798 18221 7229 1 14 . 1 1 72 72 ALA H H 63 8.237 8.237 8.070 0.167 18221 7230 1 14 . 1 1 73 73 ALA N N 64 123.432 123.432 118.803 4.629 18221 7231 1 14 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.048 -0.033 18221 7232 1 14 . 1 1 73 73 ALA C C 64 178.995 178.995 176.201 2.794 18221 7233 1 14 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.543 1.878 18221 7234 1 14 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.303 -0.300 18221 7235 1 14 . 1 1 73 73 ALA H H 64 8.421 8.421 8.420 0.001 18221 7236 1 14 . 1 1 74 74 GLY N N 65 105.577 105.577 105.536 0.041 18221 7237 1 14 . 1 1 74 74 GLY C C 65 176.367 176.367 174.835 1.532 18221 7238 1 14 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.364 1.880 18221 7239 1 14 . 1 1 74 74 GLY H H 65 8.448 8.448 7.629 0.819 18221 7240 1 14 . 1 1 75 75 SER N N 66 117.656 117.656 116.344 1.312 18221 7241 1 14 . 1 1 75 75 SER HA H 66 4.394 4.394 4.106 0.288 18221 7242 1 14 . 1 1 75 75 SER C C 66 176.329 176.329 176.742 -0.413 18221 7243 1 14 . 1 1 75 75 SER CA C 66 60.236 60.236 61.493 -1.257 18221 7244 1 14 . 1 1 75 75 SER CB C 66 62.476 62.476 63.287 -0.811 18221 7245 1 14 . 1 1 75 75 SER H H 66 7.899 7.899 8.836 -0.937 18221 7246 1 14 . 1 1 76 76 LEU N N 67 122.743 122.743 122.093 0.650 18221 7247 1 14 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.067 -0.017 18221 7248 1 14 . 1 1 76 76 LEU C C 67 178.442 178.442 178.535 -0.093 18221 7249 1 14 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.848 -0.328 18221 7250 1 14 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.071 -0.390 18221 7251 1 14 . 1 1 76 76 LEU H H 67 7.955 7.955 8.276 -0.321 18221 7252 1 14 . 1 1 77 77 VAL N N 68 118.400 118.400 118.591 -0.191 18221 7253 1 14 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.574 -0.103 18221 7254 1 14 . 1 1 77 77 VAL C C 68 177.297 177.297 178.015 -0.718 18221 7255 1 14 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.273 0.397 18221 7256 1 14 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.181 0.339 18221 7257 1 14 . 1 1 77 77 VAL H H 68 8.039 8.039 8.090 -0.051 18221 7258 1 14 . 1 1 78 78 ALA N N 69 121.927 121.927 121.933 -0.006 18221 7259 1 14 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.001 0.204 18221 7260 1 14 . 1 1 78 78 ALA C C 69 181.258 181.258 179.675 1.583 18221 7261 1 14 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.337 -0.355 18221 7262 1 14 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.904 -0.490 18221 7263 1 14 . 1 1 78 78 ALA H H 69 7.631 7.631 7.874 -0.243 18221 7264 1 14 . 1 1 79 79 ILE N N 70 119.782 119.782 119.880 -0.098 18221 7265 1 14 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.643 0.153 18221 7266 1 14 . 1 1 79 79 ILE C C 70 178.253 178.253 177.718 0.535 18221 7267 1 14 . 1 1 79 79 ILE CA C 70 64.352 64.352 65.005 -0.653 18221 7268 1 14 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.065 -0.991 18221 7269 1 14 . 1 1 79 79 ILE H H 70 7.841 7.841 7.412 0.429 18221 7270 1 14 . 1 1 80 80 LEU N N 71 120.841 120.841 120.009 0.832 18221 7271 1 14 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.747 0.190 18221 7272 1 14 . 1 1 80 80 LEU C C 71 179.234 179.234 178.534 0.700 18221 7273 1 14 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.172 -0.327 18221 7274 1 14 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.843 -1.824 18221 7275 1 14 . 1 1 80 80 LEU H H 71 8.190 8.190 8.254 -0.064 18221 7276 1 14 . 1 1 81 81 GLN N N 72 117.558 117.558 117.808 -0.250 18221 7277 1 14 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.905 0.064 18221 7278 1 14 . 1 1 81 81 GLN C C 72 178.530 178.530 178.709 -0.179 18221 7279 1 14 . 1 1 81 81 GLN CA C 72 58.819 58.819 58.946 -0.127 18221 7280 1 14 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.366 -1.086 18221 7281 1 14 . 1 1 81 81 GLN H H 72 8.489 8.489 8.309 0.180 18221 7282 1 14 . 1 1 82 82 SER N N 73 116.103 116.103 116.105 -0.002 18221 7283 1 14 . 1 1 82 82 SER HA H 73 4.233 4.233 4.154 0.079 18221 7284 1 14 . 1 1 82 82 SER C C 73 177.243 177.243 176.968 0.275 18221 7285 1 14 . 1 1 82 82 SER CA C 73 61.044 61.044 61.435 -0.391 18221 7286 1 14 . 1 1 82 82 SER CB C 73 62.257 62.257 63.048 -0.791 18221 7287 1 14 . 1 1 82 82 SER H H 73 7.855 7.855 8.018 -0.163 18221 7288 1 14 . 1 1 83 83 VAL N N 74 120.362 120.362 121.865 -1.503 18221 7289 1 14 . 1 1 83 83 VAL C C 74 177.979 177.979 177.083 0.896 18221 7290 1 14 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.485 -0.379 18221 7291 1 14 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.723 -0.982 18221 7292 1 14 . 1 1 83 83 VAL H H 74 8.030 8.030 8.102 -0.072 18221 7293 1 14 . 1 1 84 84 GLY N N 75 108.223 108.223 105.955 2.268 18221 7294 1 14 . 1 1 84 84 GLY C C 75 174.913 174.913 175.548 -0.635 18221 7295 1 14 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.939 -0.162 18221 7296 1 14 . 1 1 84 84 GLY H H 75 8.369 8.369 7.825 0.544 18221 7297 1 14 . 1 1 85 85 ALA N N 76 123.550 123.550 124.473 -0.923 18221 7298 1 14 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.167 -0.073 18221 7299 1 14 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.816 -0.218 18221 7300 1 14 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.322 -0.699 18221 7301 1 14 . 1 1 85 85 ALA H H 76 8.115 8.115 8.083 0.032 18221 7302 1 14 . 1 1 86 86 ALA N N 77 120.410 120.410 121.015 -0.605 18221 7303 1 14 . 1 1 86 86 ALA C C 77 178.988 178.988 179.552 -0.564 18221 7304 1 14 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.316 -0.480 18221 7305 1 14 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.111 -0.601 18221 7306 1 14 . 1 1 86 86 ALA H H 77 8.632 8.632 8.289 0.343 18221 7307 1 14 . 1 1 87 87 GLY N N 78 105.706 105.706 107.070 -1.364 18221 7308 1 14 . 1 1 87 87 GLY C C 78 175.939 175.939 175.735 0.204 18221 7309 1 14 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.799 -0.681 18221 7310 1 14 . 1 1 87 87 GLY H H 78 8.196 8.196 7.955 0.241 18221 7311 1 14 . 1 1 88 88 LEU N N 79 124.128 124.128 121.923 2.205 18221 7312 1 14 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.497 -0.095 18221 7313 1 14 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.793 -1.406 18221 7314 1 14 . 1 1 88 88 LEU H H 79 8.449 8.449 7.977 0.472 18221 7315 1 14 . 1 1 89 89 SER N N 80 116.251 116.251 114.770 1.481 18221 7316 1 14 . 1 1 89 89 SER C C 80 179.153 179.153 176.401 2.752 18221 7317 1 14 . 1 1 89 89 SER CA C 80 61.023 61.023 61.731 -0.708 18221 7318 1 14 . 1 1 89 89 SER CB C 80 62.255 62.255 63.135 -0.880 18221 7319 1 14 . 1 1 89 89 SER H H 80 8.120 8.120 8.244 -0.124 18221 7320 1 14 . 1 1 90 90 VAL N N 81 119.310 119.310 121.976 -2.666 18221 7321 1 14 . 1 1 90 90 VAL C C 81 177.652 177.652 178.000 -0.348 18221 7322 1 14 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.805 -0.729 18221 7323 1 14 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.619 -0.289 18221 7324 1 14 . 1 1 90 90 VAL H H 81 7.955 7.955 8.059 -0.104 18221 7325 1 14 . 1 1 91 91 THR N N 82 115.535 115.535 116.692 -1.157 18221 7326 1 14 . 1 1 91 91 THR C C 82 176.571 176.571 176.719 -0.148 18221 7327 1 14 . 1 1 91 91 THR CA C 82 66.434 66.434 67.737 -1.303 18221 7328 1 14 . 1 1 91 91 THR CB C 82 67.742 67.742 68.884 -1.142 18221 7329 1 14 . 1 1 91 91 THR H H 82 7.888 7.888 8.558 -0.670 18221 7330 1 14 . 1 1 92 92 SER N N 83 116.537 116.537 117.827 -1.290 18221 7331 1 14 . 1 1 92 92 SER HA H 83 4.040 4.040 4.123 -0.083 18221 7332 1 14 . 1 1 92 92 SER C C 83 176.761 176.761 176.673 0.088 18221 7333 1 14 . 1 1 92 92 SER CA C 83 61.564 61.564 61.764 -0.200 18221 7334 1 14 . 1 1 92 92 SER CB C 83 62.009 62.009 62.728 -0.719 18221 7335 1 14 . 1 1 92 92 SER H H 83 8.212 8.212 8.059 0.153 18221 7336 1 14 . 1 1 93 93 LYS N N 84 122.353 122.353 121.480 0.873 18221 7337 1 14 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.999 0.120 18221 7338 1 14 . 1 1 93 93 LYS C C 84 172.812 172.812 179.163 -6.351 18221 7339 1 14 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.382 -0.947 18221 7340 1 14 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.307 -0.831 18221 7341 1 14 . 1 1 93 93 LYS H H 84 7.642 7.642 8.108 -0.466 18221 7342 1 14 . 1 1 94 94 VAL N N 85 119.348 119.348 118.579 0.769 18221 7343 1 14 . 1 1 94 94 VAL C C 85 177.948 177.948 177.162 0.786 18221 7344 1 14 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.733 -0.344 18221 7345 1 14 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.712 0.134 18221 7346 1 14 . 1 1 94 94 VAL H H 85 8.414 8.414 7.833 0.581 18221 7347 1 14 . 1 1 95 95 ILE N N 86 118.769 118.769 115.899 2.870 18221 7348 1 14 . 1 1 95 95 ILE C C 86 177.972 177.972 176.638 1.334 18221 7349 1 14 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.816 0.021 18221 7350 1 14 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.691 -2.059 18221 7351 1 14 . 1 1 95 95 ILE H H 86 8.169 8.169 7.809 0.360 18221 7352 1 14 . 1 1 96 96 GLY N N 87 107.955 107.955 104.083 3.872 18221 7353 1 14 . 1 1 96 96 GLY C C 87 176.571 176.571 173.787 2.784 18221 7354 1 14 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.303 1.208 18221 7355 1 14 . 1 1 96 96 GLY H H 87 8.182 8.182 8.354 -0.172 18221 7356 1 14 . 1 1 97 97 GLY N N 88 109.117 109.117 109.144 -0.027 18221 7357 1 14 . 1 1 97 97 GLY C C 88 175.524 175.524 174.636 0.888 18221 7358 1 14 . 1 1 97 97 GLY CA C 88 45.832 45.832 44.711 1.121 18221 7359 1 14 . 1 1 97 97 GLY H H 88 7.953 7.953 8.242 -0.289 18221 7360 1 14 . 1 1 98 98 PHE N N 89 121.100 121.100 117.965 3.135 18221 7361 1 14 . 1 1 98 98 PHE C C 89 176.367 176.367 174.842 1.525 18221 7362 1 14 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.074 -2.174 18221 7363 1 14 . 1 1 98 98 PHE CB C 89 38.832 38.832 37.679 1.153 18221 7364 1 14 . 1 1 98 98 PHE H H 89 8.000 8.000 8.292 -0.292 18221 7365 1 14 . 1 1 99 99 ALA N N 90 122.834 122.834 127.661 -4.827 18221 7366 1 14 . 1 1 99 99 ALA C C 90 178.348 178.348 177.852 0.496 18221 7367 1 14 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.361 2.916 18221 7368 1 14 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.441 -2.027 18221 7369 1 14 . 1 1 99 99 ALA H H 90 8.322 8.322 8.730 -0.408 18221 7370 1 14 . 1 1 100 100 GLY N N 91 106.688 106.688 109.265 -2.577 18221 7371 1 14 . 1 1 100 100 GLY C C 91 175.878 175.878 174.940 0.938 18221 7372 1 14 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.550 0.076 18221 7373 1 14 . 1 1 100 100 GLY H H 91 8.000 8.000 8.296 -0.296 18221 7374 1 14 . 1 1 101 101 THR N N 92 115.689 115.689 118.157 -2.468 18221 7375 1 14 . 1 1 101 101 THR C C 92 178.476 178.476 173.928 4.548 18221 7376 1 14 . 1 1 101 101 THR CA C 92 63.364 63.364 62.940 0.424 18221 7377 1 14 . 1 1 101 101 THR CB C 92 69.619 69.619 69.430 0.189 18221 7378 1 14 . 1 1 101 101 THR H H 92 7.754 7.754 7.977 -0.223 18221 7379 1 14 . 1 1 102 102 ALA N N 93 124.835 124.835 127.161 -2.326 18221 7380 1 14 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.925 1.386 18221 7381 1 14 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.041 -0.362 18221 7382 1 14 . 1 1 102 102 ALA H H 93 7.919 7.919 8.716 -0.797 18221 7383 1 14 . 1 1 103 103 LEU N N 94 117.445 117.445 121.056 -3.611 18221 7384 1 14 . 1 1 103 103 LEU CA C 94 56.782 56.782 56.149 0.633 18221 7385 1 14 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.791 -0.889 18221 7386 1 14 . 1 1 103 103 LEU H H 94 8.037 8.037 8.248 -0.211 18221 7387 1 14 . 1 1 104 104 GLY N N 95 106.296 106.296 110.081 -3.785 18221 7388 1 14 . 1 1 104 104 GLY C C 95 175.851 175.851 175.191 0.660 18221 7389 1 14 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.890 1.680 18221 7390 1 14 . 1 1 104 104 GLY H H 95 7.900 7.900 8.338 -0.438 18221 7391 1 14 . 1 1 105 105 ALA N N 96 123.872 123.872 123.455 0.417 18221 7392 1 14 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.961 2.166 18221 7393 1 14 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.534 -1.947 18221 7394 1 14 . 1 1 105 105 ALA H H 96 7.804 7.804 8.048 -0.244 18221 7395 1 14 . 1 1 106 106 TRP N N 97 120.348 120.348 121.298 -0.950 18221 7396 1 14 . 1 1 106 106 TRP C C 97 176.857 176.857 175.417 1.440 18221 7397 1 14 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.682 1.218 18221 7398 1 14 . 1 1 106 106 TRP H H 97 8.385 8.385 8.059 0.326 18221 7399 1 14 . 1 1 107 107 LEU N N 98 117.756 117.756 123.418 -5.662 18221 7400 1 14 . 1 1 107 107 LEU C C 98 177.659 177.659 175.487 2.172 18221 7401 1 14 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.190 -0.087 18221 7402 1 14 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.166 -0.748 18221 7403 1 14 . 1 1 107 107 LEU H H 98 7.880 7.880 8.698 -0.818 18221 7404 1 14 . 1 1 108 108 GLY N N 99 107.285 107.285 111.109 -3.824 18221 7405 1 14 . 1 1 108 108 GLY C C 99 173.815 173.815 173.328 0.487 18221 7406 1 14 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.159 0.788 18221 7407 1 14 . 1 1 108 108 GLY H H 99 7.694 7.694 8.118 -0.424 18221 7408 1 14 . 1 1 109 109 SER N N 100 117.139 117.139 120.193 -3.054 18221 7409 1 14 . 1 1 109 109 SER C C 100 172.179 172.179 173.418 -1.239 18221 7410 1 14 . 1 1 109 109 SER CA C 100 56.015 56.015 56.163 -0.148 18221 7411 1 14 . 1 1 109 109 SER CB C 100 62.771 62.771 63.722 -0.951 18221 7412 1 14 . 1 1 109 109 SER H H 100 8.030 8.030 8.232 -0.202 18221 7413 1 14 . 1 1 111 111 PRO C C 102 177.073 177.073 175.531 1.542 18221 7414 1 14 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.081 -0.881 18221 7415 1 14 . 1 1 111 111 PRO CB C 102 31.211 31.211 29.801 1.410 18221 7416 1 14 . 1 1 112 112 SER N N 103 117.115 117.115 114.808 2.307 18221 7417 1 14 . 1 1 112 112 SER C C 103 173.898 173.898 173.347 0.551 18221 7418 1 14 . 1 1 112 112 SER CA C 103 57.904 57.904 58.020 -0.116 18221 7419 1 14 . 1 1 112 112 SER CB C 103 63.360 63.360 64.611 -1.251 18221 7420 1 14 . 1 1 112 112 SER H H 103 8.345 8.345 8.136 0.209 18221 7421 1 15 . 1 1 11 11 GLY N N 2 109.366 109.366 110.761 -1.395 18221 7422 1 15 . 1 1 11 11 GLY C C 2 174.543 174.543 172.712 1.831 18221 7423 1 15 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.807 0.888 18221 7424 1 15 . 1 1 11 11 GLY H H 2 8.271 8.271 8.016 0.255 18221 7425 1 15 . 1 1 12 12 LYS N N 3 121.129 121.129 123.305 -2.176 18221 7426 1 15 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.630 -0.498 18221 7427 1 15 . 1 1 12 12 LYS C C 3 177.234 177.234 176.686 0.548 18221 7428 1 15 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.364 0.448 18221 7429 1 15 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.094 -1.248 18221 7430 1 15 . 1 1 12 12 LYS H H 3 8.057 8.057 8.041 0.016 18221 7431 1 15 . 1 1 13 13 GLU N N 4 120.318 120.318 122.733 -2.415 18221 7432 1 15 . 1 1 13 13 GLU HA H 4 4.155 4.155 3.841 0.314 18221 7433 1 15 . 1 1 13 13 GLU C C 4 176.857 176.857 176.327 0.530 18221 7434 1 15 . 1 1 13 13 GLU CA C 4 56.871 56.871 58.316 -1.445 18221 7435 1 15 . 1 1 13 13 GLU CB C 4 28.388 28.388 28.822 -0.434 18221 7436 1 15 . 1 1 13 13 GLU H H 4 8.398 8.398 8.989 -0.591 18221 7437 1 15 . 1 1 14 14 SER N N 5 115.504 115.504 116.061 -0.557 18221 7438 1 15 . 1 1 14 14 SER HA H 5 3.843 3.843 4.245 -0.402 18221 7439 1 15 . 1 1 14 14 SER C C 5 175.337 175.337 174.120 1.217 18221 7440 1 15 . 1 1 14 14 SER CA C 5 58.524 58.524 60.229 -1.705 18221 7441 1 15 . 1 1 14 14 SER CB C 5 63.360 63.360 63.676 -0.316 18221 7442 1 15 . 1 1 14 14 SER H H 5 8.089 8.089 8.214 -0.125 18221 7443 1 15 . 1 1 15 15 GLY N N 6 110.761 110.761 113.021 -2.260 18221 7444 1 15 . 1 1 15 15 GLY C C 6 174.581 174.581 173.821 0.760 18221 7445 1 15 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.530 1.036 18221 7446 1 15 . 1 1 15 15 GLY H H 6 8.197 8.197 8.164 0.033 18221 7447 1 15 . 1 1 16 16 TRP N N 7 121.800 121.800 123.750 -1.950 18221 7448 1 15 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.640 -0.080 18221 7449 1 15 . 1 1 16 16 TRP C C 7 176.920 176.920 176.020 0.900 18221 7450 1 15 . 1 1 16 16 TRP CA C 7 58.081 58.081 55.858 2.223 18221 7451 1 15 . 1 1 16 16 TRP CB C 7 28.679 28.679 28.487 0.192 18221 7452 1 15 . 1 1 16 16 TRP H H 7 8.184 8.184 8.737 -0.553 18221 7453 1 15 . 1 1 17 17 ASP N N 8 121.132 121.132 122.331 -1.199 18221 7454 1 15 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.236 0.159 18221 7455 1 15 . 1 1 17 17 ASP C C 8 176.941 176.941 176.510 0.431 18221 7456 1 15 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.278 0.966 18221 7457 1 15 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.548 -0.603 18221 7458 1 15 . 1 1 17 17 ASP H H 8 8.332 8.332 8.563 -0.231 18221 7459 1 15 . 1 1 18 18 SER N N 9 116.148 116.148 118.952 -2.804 18221 7460 1 15 . 1 1 18 18 SER HA H 9 3.861 3.861 3.975 -0.114 18221 7461 1 15 . 1 1 18 18 SER CA C 9 60.081 60.081 61.142 -1.061 18221 7462 1 15 . 1 1 18 18 SER CB C 9 62.255 62.255 63.221 -0.966 18221 7463 1 15 . 1 1 18 18 SER H H 9 8.129 8.129 9.118 -0.989 18221 7464 1 15 . 1 1 19 19 GLY N N 10 110.747 110.747 109.337 1.410 18221 7465 1 15 . 1 1 19 19 GLY C C 10 174.682 174.682 174.505 0.177 18221 7466 1 15 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.019 1.581 18221 7467 1 15 . 1 1 19 19 GLY H H 10 8.216 8.216 8.467 -0.251 18221 7468 1 15 . 1 1 20 20 ARG N N 11 121.405 121.405 124.222 -2.817 18221 7469 1 15 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.213 -0.356 18221 7470 1 15 . 1 1 20 20 ARG C C 11 178.328 178.328 178.206 0.122 18221 7471 1 15 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.292 0.793 18221 7472 1 15 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.365 -1.318 18221 7473 1 15 . 1 1 20 20 ARG H H 11 8.158 8.158 8.651 -0.493 18221 7474 1 15 . 1 1 21 21 ALA N N 12 122.167 122.167 122.351 -0.184 18221 7475 1 15 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.007 0.093 18221 7476 1 15 . 1 1 21 21 ALA C C 12 180.129 180.129 179.219 0.910 18221 7477 1 15 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.654 -0.262 18221 7478 1 15 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.893 -0.479 18221 7479 1 15 . 1 1 21 21 ALA H H 12 7.963 7.963 8.356 -0.393 18221 7480 1 15 . 1 1 22 22 ALA N N 13 122.150 122.150 120.744 1.406 18221 7481 1 15 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.855 0.182 18221 7482 1 15 . 1 1 22 22 ALA C C 13 179.095 179.095 179.608 -0.513 18221 7483 1 15 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.009 -0.293 18221 7484 1 15 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.923 -0.362 18221 7485 1 15 . 1 1 22 22 ALA H H 13 7.881 7.881 8.118 -0.237 18221 7486 1 15 . 1 1 23 23 VAL N N 14 117.107 117.107 118.415 -1.308 18221 7487 1 15 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.592 -0.112 18221 7488 1 15 . 1 1 23 23 VAL C C 14 177.586 177.586 178.236 -0.650 18221 7489 1 15 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.043 0.155 18221 7490 1 15 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.751 -0.231 18221 7491 1 15 . 1 1 23 23 VAL H H 14 7.888 7.888 8.228 -0.340 18221 7492 1 15 . 1 1 24 24 ALA N N 15 121.333 121.333 122.022 -0.689 18221 7493 1 15 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.978 0.003 18221 7494 1 15 . 1 1 24 24 ALA C C 15 180.373 180.373 179.406 0.967 18221 7495 1 15 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.176 -0.165 18221 7496 1 15 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.894 -0.642 18221 7497 1 15 . 1 1 24 24 ALA H H 15 8.037 8.037 7.742 0.295 18221 7498 1 15 . 1 1 25 25 ALA N N 16 121.158 121.158 119.495 1.663 18221 7499 1 15 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.160 -0.014 18221 7500 1 15 . 1 1 25 25 ALA C C 16 179.828 179.828 178.626 1.202 18221 7501 1 15 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.707 -0.256 18221 7502 1 15 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.460 -0.973 18221 7503 1 15 . 1 1 25 25 ALA H H 16 7.819 7.819 7.837 -0.018 18221 7504 1 15 . 1 1 26 26 VAL N N 17 118.417 118.417 116.326 2.091 18221 7505 1 15 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.906 -0.128 18221 7506 1 15 . 1 1 26 26 VAL C C 17 178.020 178.020 177.323 0.697 18221 7507 1 15 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.570 2.008 18221 7508 1 15 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.684 -0.599 18221 7509 1 15 . 1 1 26 26 VAL H H 17 7.848 7.848 7.341 0.507 18221 7510 1 15 . 1 1 27 27 VAL N N 18 119.240 119.240 119.133 0.107 18221 7511 1 15 . 1 1 27 27 VAL C C 18 177.719 177.719 177.010 0.709 18221 7512 1 15 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.934 1.057 18221 7513 1 15 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.029 -1.843 18221 7514 1 15 . 1 1 27 27 VAL H H 18 8.377 8.377 7.615 0.762 18221 7515 1 15 . 1 1 28 28 GLY N N 19 106.009 106.009 107.242 -1.233 18221 7516 1 15 . 1 1 28 28 GLY C C 19 176.212 176.212 174.285 1.927 18221 7517 1 15 . 1 1 28 28 GLY CA C 19 46.244 46.244 45.778 0.466 18221 7518 1 15 . 1 1 28 28 GLY H H 19 8.122 8.122 7.634 0.488 18221 7519 1 15 . 1 1 29 29 GLY N N 20 110.216 110.216 113.772 -3.556 18221 7520 1 15 . 1 1 29 29 GLY C C 20 174.097 174.097 174.893 -0.796 18221 7521 1 15 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.578 1.756 18221 7522 1 15 . 1 1 29 29 GLY H H 20 8.039 8.039 7.797 0.242 18221 7523 1 15 . 1 1 30 30 VAL N N 21 121.188 121.188 121.839 -0.651 18221 7524 1 15 . 1 1 30 30 VAL C C 21 177.073 177.073 177.490 -0.417 18221 7525 1 15 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.201 -3.627 18221 7526 1 15 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.377 -0.587 18221 7527 1 15 . 1 1 30 30 VAL H H 21 7.983 7.983 8.161 -0.178 18221 7528 1 15 . 1 1 32 32 ALA N N 23 125.091 125.091 121.436 3.655 18221 7529 1 15 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.128 0.132 18221 7530 1 15 . 1 1 32 32 ALA C C 23 179.523 179.523 180.160 -0.637 18221 7531 1 15 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.137 -1.454 18221 7532 1 15 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.092 -1.709 18221 7533 1 15 . 1 1 32 32 ALA H H 23 8.036 8.036 8.307 -0.271 18221 7534 1 15 . 1 1 33 33 VAL N N 24 118.793 118.793 117.259 1.534 18221 7535 1 15 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.741 -0.033 18221 7536 1 15 . 1 1 33 33 VAL C C 24 177.901 177.901 178.479 -0.578 18221 7537 1 15 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.597 -0.166 18221 7538 1 15 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.754 0.564 18221 7539 1 15 . 1 1 33 33 VAL H H 24 8.195 8.195 8.159 0.036 18221 7540 1 15 . 1 1 34 34 GLY N N 25 108.367 108.367 109.073 -0.706 18221 7541 1 15 . 1 1 34 34 GLY C C 25 175.424 175.424 175.883 -0.459 18221 7542 1 15 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.566 -0.232 18221 7543 1 15 . 1 1 34 34 GLY H H 25 8.651 8.651 8.391 0.260 18221 7544 1 15 . 1 1 35 35 THR N N 26 116.448 116.448 119.826 -3.378 18221 7545 1 15 . 1 1 35 35 THR C C 26 176.843 176.843 176.920 -0.077 18221 7546 1 15 . 1 1 35 35 THR CA C 26 65.962 65.962 67.955 -1.993 18221 7547 1 15 . 1 1 35 35 THR CB C 26 68.414 68.414 68.811 -0.397 18221 7548 1 15 . 1 1 35 35 THR H H 26 7.975 7.975 8.424 -0.449 18221 7549 1 15 . 1 1 36 36 VAL N N 27 122.810 122.810 121.074 1.736 18221 7550 1 15 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.555 0.164 18221 7551 1 15 . 1 1 36 36 VAL C C 27 177.618 177.618 177.231 0.387 18221 7552 1 15 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.569 -0.842 18221 7553 1 15 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.572 -0.905 18221 7554 1 15 . 1 1 36 36 VAL H H 27 7.559 7.559 7.989 -0.430 18221 7555 1 15 . 1 1 37 37 LEU N N 28 119.566 119.566 120.528 -0.962 18221 7556 1 15 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.845 0.108 18221 7557 1 15 . 1 1 37 37 LEU C C 28 179.666 179.666 178.679 0.987 18221 7558 1 15 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.343 -0.498 18221 7559 1 15 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.971 -1.806 18221 7560 1 15 . 1 1 37 37 LEU H H 28 8.086 8.086 7.703 0.383 18221 7561 1 15 . 1 1 38 38 VAL N N 29 119.468 119.468 118.072 1.396 18221 7562 1 15 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.434 0.219 18221 7563 1 15 . 1 1 38 38 VAL C C 29 178.639 178.639 177.787 0.852 18221 7564 1 15 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.609 -1.136 18221 7565 1 15 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.403 -0.794 18221 7566 1 15 . 1 1 38 38 VAL H H 29 8.066 8.066 8.370 -0.304 18221 7567 1 15 . 1 1 39 39 ALA N N 30 124.255 124.255 122.486 1.769 18221 7568 1 15 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.025 0.140 18221 7569 1 15 . 1 1 39 39 ALA C C 30 180.303 180.303 179.585 0.718 18221 7570 1 15 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.320 -0.486 18221 7571 1 15 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.186 -0.478 18221 7572 1 15 . 1 1 39 39 ALA H H 30 7.688 7.688 7.860 -0.172 18221 7573 1 15 . 1 1 40 40 LEU N N 31 118.268 118.268 119.363 -1.095 18221 7574 1 15 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.071 0.070 18221 7575 1 15 . 1 1 40 40 LEU C C 31 179.271 179.271 179.168 0.103 18221 7576 1 15 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.548 -0.470 18221 7577 1 15 . 1 1 40 40 LEU CB C 31 40.902 40.902 40.659 0.243 18221 7578 1 15 . 1 1 40 40 LEU H H 31 8.326 8.326 8.066 0.260 18221 7579 1 15 . 1 1 41 41 SER N N 32 114.984 114.984 114.535 0.449 18221 7580 1 15 . 1 1 41 41 SER HA H 32 3.952 3.952 4.120 -0.168 18221 7581 1 15 . 1 1 41 41 SER C C 32 176.284 176.284 176.249 0.035 18221 7582 1 15 . 1 1 41 41 SER CA C 32 60.885 60.885 60.932 -0.047 18221 7583 1 15 . 1 1 41 41 SER CB C 32 62.410 62.410 63.186 -0.776 18221 7584 1 15 . 1 1 41 41 SER H H 32 8.062 8.062 8.426 -0.364 18221 7585 1 15 . 1 1 42 42 ALA N N 33 124.588 124.588 121.865 2.723 18221 7586 1 15 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.190 0.035 18221 7587 1 15 . 1 1 42 42 ALA C C 33 179.033 179.033 179.409 -0.376 18221 7588 1 15 . 1 1 42 42 ALA CA C 33 53.713 53.713 54.319 -0.606 18221 7589 1 15 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.064 -1.135 18221 7590 1 15 . 1 1 42 42 ALA H H 33 7.813 7.813 7.972 -0.159 18221 7591 1 15 . 1 1 43 43 MET N N 34 116.808 116.808 113.466 3.342 18221 7592 1 15 . 1 1 43 43 MET HA H 34 4.285 4.285 4.130 0.155 18221 7593 1 15 . 1 1 43 43 MET C C 34 176.807 176.807 176.422 0.385 18221 7594 1 15 . 1 1 43 43 MET CA C 34 56.576 56.576 57.954 -1.378 18221 7595 1 15 . 1 1 43 43 MET CB C 34 32.435 32.435 31.351 1.084 18221 7596 1 15 . 1 1 43 43 MET H H 34 7.691 7.691 8.320 -0.629 18221 7597 1 15 . 1 1 44 44 GLY N N 35 107.020 107.020 105.576 1.444 18221 7598 1 15 . 1 1 44 44 GLY C C 35 174.493 174.493 173.884 0.609 18221 7599 1 15 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.782 -0.717 18221 7600 1 15 . 1 1 44 44 GLY H H 35 7.793 7.793 8.196 -0.403 18221 7601 1 15 . 1 1 45 45 PHE N N 36 120.285 120.285 120.929 -0.644 18221 7602 1 15 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.677 -0.170 18221 7603 1 15 . 1 1 45 45 PHE C C 36 176.876 176.876 173.584 3.292 18221 7604 1 15 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.937 1.000 18221 7605 1 15 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.680 -1.502 18221 7606 1 15 . 1 1 45 45 PHE H H 36 8.215 8.215 8.272 -0.057 18221 7607 1 15 . 1 1 46 46 THR N N 37 114.008 114.008 114.084 -0.076 18221 7608 1 15 . 1 1 46 46 THR HA H 37 4.080 4.080 4.698 -0.618 18221 7609 1 15 . 1 1 46 46 THR C C 37 175.751 175.751 173.317 2.434 18221 7610 1 15 . 1 1 46 46 THR CA C 37 64.220 64.220 61.371 2.849 18221 7611 1 15 . 1 1 46 46 THR CB C 37 68.514 68.514 71.335 -2.821 18221 7612 1 15 . 1 1 46 46 THR H H 37 8.111 8.111 7.522 0.589 18221 7613 1 15 . 1 1 47 47 SER N N 38 116.646 116.646 115.959 0.687 18221 7614 1 15 . 1 1 47 47 SER HA H 38 3.918 3.918 4.409 -0.491 18221 7615 1 15 . 1 1 47 47 SER C C 38 176.744 176.744 174.873 1.871 18221 7616 1 15 . 1 1 47 47 SER CA C 38 59.911 59.911 59.645 0.266 18221 7617 1 15 . 1 1 47 47 SER CB C 38 62.624 62.624 62.469 0.155 18221 7618 1 15 . 1 1 47 47 SER H H 38 8.079 8.079 8.501 -0.422 18221 7619 1 15 . 1 1 48 48 VAL N N 39 121.929 121.929 123.160 -1.231 18221 7620 1 15 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.841 0.068 18221 7621 1 15 . 1 1 48 48 VAL C C 39 177.033 177.033 177.877 -0.844 18221 7622 1 15 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.058 -1.070 18221 7623 1 15 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.183 -0.516 18221 7624 1 15 . 1 1 48 48 VAL H H 39 7.985 7.985 8.100 -0.115 18221 7625 1 15 . 1 1 49 49 GLY N N 40 108.633 108.633 108.115 0.518 18221 7626 1 15 . 1 1 49 49 GLY C C 40 176.038 176.038 176.170 -0.132 18221 7627 1 15 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.748 -0.883 18221 7628 1 15 . 1 1 49 49 GLY H H 40 8.267 8.267 8.437 -0.170 18221 7629 1 15 . 1 1 50 50 ILE N N 41 122.466 122.466 119.809 2.657 18221 7630 1 15 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.818 0.053 18221 7631 1 15 . 1 1 50 50 ILE C C 41 178.363 178.363 177.618 0.745 18221 7632 1 15 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.307 0.208 18221 7633 1 15 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.119 0.119 18221 7634 1 15 . 1 1 50 50 ILE H H 41 7.865 7.865 7.842 0.023 18221 7635 1 15 . 1 1 51 51 ALA N N 42 125.064 125.064 121.902 3.162 18221 7636 1 15 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.942 0.157 18221 7637 1 15 . 1 1 51 51 ALA C C 42 179.385 179.385 179.493 -0.108 18221 7638 1 15 . 1 1 51 51 ALA CA C 42 54.480 54.480 54.995 -0.515 18221 7639 1 15 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.706 -0.219 18221 7640 1 15 . 1 1 51 51 ALA H H 42 7.930 7.930 7.782 0.148 18221 7641 1 15 . 1 1 52 52 ALA N N 43 120.594 120.594 120.299 0.295 18221 7642 1 15 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.109 -0.172 18221 7643 1 15 . 1 1 52 52 ALA C C 43 179.088 179.088 179.949 -0.861 18221 7644 1 15 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.776 0.324 18221 7645 1 15 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.144 -0.509 18221 7646 1 15 . 1 1 52 52 ALA H H 43 8.639 8.639 8.402 0.237 18221 7647 1 15 . 1 1 53 53 SER N N 44 113.012 113.012 114.412 -1.400 18221 7648 1 15 . 1 1 53 53 SER HA H 44 3.966 3.966 4.265 -0.299 18221 7649 1 15 . 1 1 53 53 SER C C 44 176.898 176.898 176.747 0.151 18221 7650 1 15 . 1 1 53 53 SER CA C 44 61.139 61.139 61.635 -0.496 18221 7651 1 15 . 1 1 53 53 SER CB C 44 62.347 62.347 63.146 -0.799 18221 7652 1 15 . 1 1 53 53 SER H H 44 8.193 8.193 8.108 0.085 18221 7653 1 15 . 1 1 54 54 SER N N 45 118.714 118.714 118.220 0.494 18221 7654 1 15 . 1 1 54 54 SER HA H 45 3.975 3.975 4.195 -0.220 18221 7655 1 15 . 1 1 54 54 SER C C 45 177.131 177.131 176.148 0.983 18221 7656 1 15 . 1 1 54 54 SER CA C 45 61.210 61.210 62.020 -0.810 18221 7657 1 15 . 1 1 54 54 SER CB C 45 62.255 62.255 63.098 -0.843 18221 7658 1 15 . 1 1 54 54 SER H H 45 7.944 7.944 8.317 -0.373 18221 7659 1 15 . 1 1 55 55 ILE N N 46 122.912 122.912 121.536 1.376 18221 7660 1 15 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.834 -0.077 18221 7661 1 15 . 1 1 55 55 ILE C C 46 177.813 177.813 175.967 1.846 18221 7662 1 15 . 1 1 55 55 ILE CA C 46 64.191 64.191 63.697 0.494 18221 7663 1 15 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.049 -1.123 18221 7664 1 15 . 1 1 55 55 ILE H H 46 8.028 8.028 8.103 -0.075 18221 7665 1 15 . 1 1 56 56 ALA N N 47 122.990 122.990 121.308 1.682 18221 7666 1 15 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.077 -0.121 18221 7667 1 15 . 1 1 56 56 ALA C C 47 180.294 180.294 178.582 1.712 18221 7668 1 15 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.410 -0.072 18221 7669 1 15 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.621 -0.919 18221 7670 1 15 . 1 1 56 56 ALA H H 47 8.333 8.333 7.687 0.646 18221 7671 1 15 . 1 1 57 57 ALA N N 48 121.988 121.988 121.031 0.957 18221 7672 1 15 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.195 -0.127 18221 7673 1 15 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.382 2.039 18221 7674 1 15 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.790 -2.088 18221 7675 1 15 . 1 1 57 57 ALA H H 48 7.879 7.879 7.784 0.095 18221 7676 1 15 . 1 1 58 58 LYS N N 49 119.094 119.094 115.737 3.357 18221 7677 1 15 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.991 0.155 18221 7678 1 15 . 1 1 58 58 LYS C C 49 179.649 179.649 175.686 3.963 18221 7679 1 15 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.251 0.906 18221 7680 1 15 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.233 -0.903 18221 7681 1 15 . 1 1 58 58 LYS H H 49 7.727 7.727 8.341 -0.614 18221 7682 1 15 . 1 1 59 59 MET N N 50 120.498 120.498 119.378 1.120 18221 7683 1 15 . 1 1 59 59 MET HA H 50 4.156 4.156 4.215 -0.059 18221 7684 1 15 . 1 1 59 59 MET C C 50 177.949 177.949 175.026 2.923 18221 7685 1 15 . 1 1 59 59 MET CA C 50 57.136 57.136 56.594 0.542 18221 7686 1 15 . 1 1 59 59 MET CB C 50 31.922 31.922 32.207 -0.285 18221 7687 1 15 . 1 1 59 59 MET H H 50 8.395 8.395 8.202 0.193 18221 7688 1 15 . 1 1 60 60 MET N N 51 117.689 117.689 122.020 -4.331 18221 7689 1 15 . 1 1 60 60 MET HA H 51 4.222 4.222 4.585 -0.363 18221 7690 1 15 . 1 1 60 60 MET C C 51 177.674 177.674 174.623 3.051 18221 7691 1 15 . 1 1 60 60 MET CA C 51 57.638 57.638 55.038 2.600 18221 7692 1 15 . 1 1 60 60 MET CB C 51 31.785 31.785 34.065 -2.280 18221 7693 1 15 . 1 1 60 60 MET H H 51 8.234 8.234 7.999 0.235 18221 7694 1 15 . 1 1 61 61 SER N N 52 114.385 114.385 118.353 -3.968 18221 7695 1 15 . 1 1 61 61 SER HA H 52 4.001 4.001 4.736 -0.735 18221 7696 1 15 . 1 1 61 61 SER C C 52 176.079 176.079 174.709 1.370 18221 7697 1 15 . 1 1 61 61 SER CA C 52 59.911 59.911 59.642 0.268 18221 7698 1 15 . 1 1 61 61 SER CB C 52 62.624 62.624 64.400 -1.776 18221 7699 1 15 . 1 1 61 61 SER H H 52 7.893 7.893 8.642 -0.749 18221 7700 1 15 . 1 1 62 62 THR N N 53 117.304 117.304 116.308 0.996 18221 7701 1 15 . 1 1 62 62 THR HA H 53 4.104 4.104 4.516 -0.412 18221 7702 1 15 . 1 1 62 62 THR C C 53 175.436 175.436 174.876 0.560 18221 7703 1 15 . 1 1 62 62 THR CA C 53 64.220 64.220 62.830 1.390 18221 7704 1 15 . 1 1 62 62 THR CB C 53 68.514 68.514 69.853 -1.339 18221 7705 1 15 . 1 1 62 62 THR H H 53 7.794 7.794 7.631 0.163 18221 7706 1 15 . 1 1 63 63 ALA N N 54 125.382 125.382 124.543 0.839 18221 7707 1 15 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.080 0.014 18221 7708 1 15 . 1 1 63 63 ALA C C 54 178.328 178.328 176.149 2.179 18221 7709 1 15 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.273 0.823 18221 7710 1 15 . 1 1 63 63 ALA CB C 54 17.708 17.708 17.881 -0.173 18221 7711 1 15 . 1 1 63 63 ALA H H 54 8.204 8.204 8.204 -0.000 18221 7712 1 15 . 1 1 64 64 ALA N N 55 119.929 119.929 121.316 -1.387 18221 7713 1 15 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.543 -0.418 18221 7714 1 15 . 1 1 64 64 ALA C C 55 179.183 179.183 175.364 3.819 18221 7715 1 15 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.096 1.941 18221 7716 1 15 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.746 -3.038 18221 7717 1 15 . 1 1 64 64 ALA H H 55 7.951 7.951 7.979 -0.028 18221 7718 1 15 . 1 1 65 65 ILE N N 56 117.016 117.016 119.674 -2.658 18221 7719 1 15 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.248 -0.298 18221 7720 1 15 . 1 1 65 65 ILE C C 56 177.222 177.222 174.145 3.077 18221 7721 1 15 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.923 0.261 18221 7722 1 15 . 1 1 65 65 ILE CB C 56 37.073 37.073 40.507 -3.434 18221 7723 1 15 . 1 1 65 65 ILE H H 56 7.561 7.561 8.100 -0.539 18221 7724 1 15 . 1 1 66 66 ALA N N 57 124.191 124.191 133.382 -9.191 18221 7725 1 15 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.734 -0.557 18221 7726 1 15 . 1 1 66 66 ALA C C 57 178.190 178.190 176.423 1.767 18221 7727 1 15 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.964 1.573 18221 7728 1 15 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.063 -1.134 18221 7729 1 15 . 1 1 66 66 ALA H H 57 7.982 7.982 8.435 -0.453 18221 7730 1 15 . 1 1 67 67 ASN N N 58 116.132 116.132 122.185 -6.053 18221 7731 1 15 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.616 0.057 18221 7732 1 15 . 1 1 67 67 ASN C C 58 176.344 176.344 175.921 0.423 18221 7733 1 15 . 1 1 67 67 ASN CA C 58 53.477 53.477 52.794 0.683 18221 7734 1 15 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.409 0.063 18221 7735 1 15 . 1 1 67 67 ASN H H 58 8.113 8.113 8.362 -0.249 18221 7736 1 15 . 1 1 68 68 GLY N N 59 108.808 108.808 112.756 -3.948 18221 7737 1 15 . 1 1 68 68 GLY C C 59 174.958 174.958 174.479 0.479 18221 7738 1 15 . 1 1 68 68 GLY CA C 59 45.655 45.655 46.369 -0.714 18221 7739 1 15 . 1 1 68 68 GLY H H 59 8.152 8.152 8.571 -0.419 18221 7740 1 15 . 1 1 69 69 GLY N N 60 108.832 108.832 111.913 -3.081 18221 7741 1 15 . 1 1 69 69 GLY C C 60 174.631 174.631 173.988 0.643 18221 7742 1 15 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.509 0.910 18221 7743 1 15 . 1 1 69 69 GLY H H 60 8.218 8.218 8.086 0.132 18221 7744 1 15 . 1 1 70 70 GLY N N 61 108.966 108.966 109.583 -0.617 18221 7745 1 15 . 1 1 70 70 GLY C C 61 174.594 174.594 174.337 0.257 18221 7746 1 15 . 1 1 70 70 GLY CA C 61 45.360 45.360 43.739 1.621 18221 7747 1 15 . 1 1 70 70 GLY H H 61 8.175 8.175 7.923 0.252 18221 7748 1 15 . 1 1 71 71 VAL N N 62 120.209 120.209 118.461 1.748 18221 7749 1 15 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.933 0.073 18221 7750 1 15 . 1 1 71 71 VAL C C 62 176.077 176.077 177.347 -1.270 18221 7751 1 15 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.212 0.178 18221 7752 1 15 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.776 -1.078 18221 7753 1 15 . 1 1 71 71 VAL H H 62 7.882 7.882 8.277 -0.395 18221 7754 1 15 . 1 1 72 72 ALA N N 63 126.966 126.966 125.277 1.689 18221 7755 1 15 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.213 -0.187 18221 7756 1 15 . 1 1 72 72 ALA C C 63 178.064 178.064 176.028 2.036 18221 7757 1 15 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.187 -0.684 18221 7758 1 15 . 1 1 72 72 ALA CB C 63 18.225 18.225 16.985 1.240 18221 7759 1 15 . 1 1 72 72 ALA H H 63 8.237 8.237 8.661 -0.424 18221 7760 1 15 . 1 1 73 73 ALA N N 64 123.432 123.432 123.344 0.088 18221 7761 1 15 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.424 -0.409 18221 7762 1 15 . 1 1 73 73 ALA C C 64 178.995 178.995 177.527 1.468 18221 7763 1 15 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.454 1.967 18221 7764 1 15 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.805 -1.802 18221 7765 1 15 . 1 1 73 73 ALA H H 64 8.421 8.421 8.610 -0.189 18221 7766 1 15 . 1 1 74 74 GLY N N 65 105.577 105.577 107.645 -2.068 18221 7767 1 15 . 1 1 74 74 GLY C C 65 176.367 176.367 176.063 0.304 18221 7768 1 15 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.521 0.723 18221 7769 1 15 . 1 1 74 74 GLY H H 65 8.448 8.448 8.021 0.427 18221 7770 1 15 . 1 1 75 75 SER N N 66 117.656 117.656 117.863 -0.207 18221 7771 1 15 . 1 1 75 75 SER HA H 66 4.394 4.394 4.247 0.147 18221 7772 1 15 . 1 1 75 75 SER C C 66 176.329 176.329 176.842 -0.513 18221 7773 1 15 . 1 1 75 75 SER CA C 66 60.236 60.236 60.844 -0.608 18221 7774 1 15 . 1 1 75 75 SER CB C 66 62.476 62.476 63.063 -0.587 18221 7775 1 15 . 1 1 75 75 SER H H 66 7.899 7.899 8.577 -0.678 18221 7776 1 15 . 1 1 76 76 LEU N N 67 122.743 122.743 121.458 1.285 18221 7777 1 15 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.994 0.056 18221 7778 1 15 . 1 1 76 76 LEU C C 67 178.442 178.442 178.477 -0.035 18221 7779 1 15 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.803 -0.283 18221 7780 1 15 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.243 -0.562 18221 7781 1 15 . 1 1 76 76 LEU H H 67 7.955 7.955 8.181 -0.226 18221 7782 1 15 . 1 1 77 77 VAL N N 68 118.400 118.400 119.078 -0.678 18221 7783 1 15 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.449 0.022 18221 7784 1 15 . 1 1 77 77 VAL C C 68 177.297 177.297 177.464 -0.167 18221 7785 1 15 . 1 1 77 77 VAL CA C 68 66.670 66.670 67.123 -0.453 18221 7786 1 15 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.096 -0.576 18221 7787 1 15 . 1 1 77 77 VAL H H 68 8.039 8.039 8.141 -0.102 18221 7788 1 15 . 1 1 78 78 ALA N N 69 121.927 121.927 121.646 0.281 18221 7789 1 15 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.975 0.230 18221 7790 1 15 . 1 1 78 78 ALA C C 69 181.258 181.258 179.982 1.276 18221 7791 1 15 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.100 -0.118 18221 7792 1 15 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.989 -0.575 18221 7793 1 15 . 1 1 78 78 ALA H H 69 7.631 7.631 7.951 -0.320 18221 7794 1 15 . 1 1 79 79 ILE N N 70 119.782 119.782 119.512 0.270 18221 7795 1 15 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.630 0.166 18221 7796 1 15 . 1 1 79 79 ILE C C 70 178.253 178.253 177.852 0.401 18221 7797 1 15 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.774 -0.422 18221 7798 1 15 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.066 -0.994 18221 7799 1 15 . 1 1 79 79 ILE H H 70 7.841 7.841 7.576 0.265 18221 7800 1 15 . 1 1 80 80 LEU N N 71 120.841 120.841 120.235 0.606 18221 7801 1 15 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.714 0.223 18221 7802 1 15 . 1 1 80 80 LEU C C 71 179.234 179.234 178.527 0.707 18221 7803 1 15 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.506 -0.661 18221 7804 1 15 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.842 -1.823 18221 7805 1 15 . 1 1 80 80 LEU H H 71 8.190 8.190 8.201 -0.011 18221 7806 1 15 . 1 1 81 81 GLN N N 72 117.558 117.558 117.446 0.112 18221 7807 1 15 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.862 0.107 18221 7808 1 15 . 1 1 81 81 GLN C C 72 178.530 178.530 178.561 -0.031 18221 7809 1 15 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.227 -0.408 18221 7810 1 15 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.631 -1.351 18221 7811 1 15 . 1 1 81 81 GLN H H 72 8.489 8.489 8.409 0.080 18221 7812 1 15 . 1 1 82 82 SER N N 73 116.103 116.103 115.150 0.953 18221 7813 1 15 . 1 1 82 82 SER HA H 73 4.233 4.233 4.130 0.103 18221 7814 1 15 . 1 1 82 82 SER C C 73 177.243 177.243 176.968 0.275 18221 7815 1 15 . 1 1 82 82 SER CA C 73 61.044 61.044 62.118 -1.074 18221 7816 1 15 . 1 1 82 82 SER CB C 73 62.257 62.257 63.128 -0.871 18221 7817 1 15 . 1 1 82 82 SER H H 73 7.855 7.855 7.955 -0.100 18221 7818 1 15 . 1 1 83 83 VAL N N 74 120.362 120.362 121.135 -0.773 18221 7819 1 15 . 1 1 83 83 VAL C C 74 177.979 177.979 177.504 0.475 18221 7820 1 15 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.249 -1.143 18221 7821 1 15 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.356 -0.615 18221 7822 1 15 . 1 1 83 83 VAL H H 74 8.030 8.030 8.201 -0.171 18221 7823 1 15 . 1 1 84 84 GLY N N 75 108.223 108.223 106.466 1.757 18221 7824 1 15 . 1 1 84 84 GLY C C 75 174.913 174.913 175.496 -0.583 18221 7825 1 15 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.923 -0.146 18221 7826 1 15 . 1 1 84 84 GLY H H 75 8.369 8.369 7.756 0.613 18221 7827 1 15 . 1 1 85 85 ALA N N 76 123.550 123.550 124.448 -0.898 18221 7828 1 15 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.035 0.059 18221 7829 1 15 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.950 -0.352 18221 7830 1 15 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.260 -0.637 18221 7831 1 15 . 1 1 85 85 ALA H H 76 8.115 8.115 8.111 0.004 18221 7832 1 15 . 1 1 86 86 ALA N N 77 120.410 120.410 120.872 -0.462 18221 7833 1 15 . 1 1 86 86 ALA C C 77 178.988 178.988 179.650 -0.662 18221 7834 1 15 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.263 -0.427 18221 7835 1 15 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.864 -0.354 18221 7836 1 15 . 1 1 86 86 ALA H H 77 8.632 8.632 8.286 0.346 18221 7837 1 15 . 1 1 87 87 GLY N N 78 105.706 105.706 107.681 -1.975 18221 7838 1 15 . 1 1 87 87 GLY C C 78 175.939 175.939 176.285 -0.346 18221 7839 1 15 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.133 -1.015 18221 7840 1 15 . 1 1 87 87 GLY H H 78 8.196 8.196 7.795 0.401 18221 7841 1 15 . 1 1 88 88 LEU N N 79 124.128 124.128 121.578 2.550 18221 7842 1 15 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.905 -0.503 18221 7843 1 15 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.804 -1.417 18221 7844 1 15 . 1 1 88 88 LEU H H 79 8.449 8.449 8.069 0.380 18221 7845 1 15 . 1 1 89 89 SER N N 80 116.251 116.251 114.670 1.581 18221 7846 1 15 . 1 1 89 89 SER C C 80 179.153 179.153 176.465 2.688 18221 7847 1 15 . 1 1 89 89 SER CA C 80 61.023 61.023 62.105 -1.082 18221 7848 1 15 . 1 1 89 89 SER CB C 80 62.255 62.255 63.022 -0.767 18221 7849 1 15 . 1 1 89 89 SER H H 80 8.120 8.120 8.224 -0.104 18221 7850 1 15 . 1 1 90 90 VAL N N 81 119.310 119.310 121.251 -1.941 18221 7851 1 15 . 1 1 90 90 VAL C C 81 177.652 177.652 177.775 -0.123 18221 7852 1 15 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.657 -0.581 18221 7853 1 15 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.330 0.000 18221 7854 1 15 . 1 1 90 90 VAL H H 81 7.955 7.955 8.242 -0.287 18221 7855 1 15 . 1 1 91 91 THR N N 82 115.535 115.535 116.521 -0.986 18221 7856 1 15 . 1 1 91 91 THR C C 82 176.571 176.571 176.782 -0.211 18221 7857 1 15 . 1 1 91 91 THR CA C 82 66.434 66.434 66.291 0.143 18221 7858 1 15 . 1 1 91 91 THR CB C 82 67.742 67.742 68.199 -0.457 18221 7859 1 15 . 1 1 91 91 THR H H 82 7.888 7.888 8.445 -0.557 18221 7860 1 15 . 1 1 92 92 SER N N 83 116.537 116.537 117.355 -0.818 18221 7861 1 15 . 1 1 92 92 SER HA H 83 4.040 4.040 3.984 0.056 18221 7862 1 15 . 1 1 92 92 SER C C 83 176.761 176.761 176.586 0.175 18221 7863 1 15 . 1 1 92 92 SER CA C 83 61.564 61.564 61.832 -0.268 18221 7864 1 15 . 1 1 92 92 SER CB C 83 62.009 62.009 62.979 -0.970 18221 7865 1 15 . 1 1 92 92 SER H H 83 8.212 8.212 7.964 0.248 18221 7866 1 15 . 1 1 93 93 LYS N N 84 122.353 122.353 121.063 1.290 18221 7867 1 15 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.973 0.146 18221 7868 1 15 . 1 1 93 93 LYS C C 84 172.812 172.812 179.170 -6.358 18221 7869 1 15 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.637 -1.202 18221 7870 1 15 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.436 -0.959 18221 7871 1 15 . 1 1 93 93 LYS H H 84 7.642 7.642 8.107 -0.465 18221 7872 1 15 . 1 1 94 94 VAL N N 85 119.348 119.348 118.237 1.111 18221 7873 1 15 . 1 1 94 94 VAL C C 85 177.948 177.948 177.771 0.177 18221 7874 1 15 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.506 -0.117 18221 7875 1 15 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.962 -0.116 18221 7876 1 15 . 1 1 94 94 VAL H H 85 8.414 8.414 7.759 0.655 18221 7877 1 15 . 1 1 95 95 ILE N N 86 118.769 118.769 117.294 1.475 18221 7878 1 15 . 1 1 95 95 ILE C C 86 177.972 177.972 176.773 1.199 18221 7879 1 15 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.271 1.566 18221 7880 1 15 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.081 -1.448 18221 7881 1 15 . 1 1 95 95 ILE H H 86 8.169 8.169 7.883 0.286 18221 7882 1 15 . 1 1 96 96 GLY N N 87 107.955 107.955 104.110 3.845 18221 7883 1 15 . 1 1 96 96 GLY C C 87 176.571 176.571 174.143 2.428 18221 7884 1 15 . 1 1 96 96 GLY CA C 87 46.511 46.511 45.112 1.399 18221 7885 1 15 . 1 1 96 96 GLY H H 87 8.182 8.182 8.342 -0.160 18221 7886 1 15 . 1 1 97 97 GLY N N 88 109.117 109.117 110.010 -0.893 18221 7887 1 15 . 1 1 97 97 GLY C C 88 175.524 175.524 175.035 0.489 18221 7888 1 15 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.061 0.771 18221 7889 1 15 . 1 1 97 97 GLY H H 88 7.953 7.953 7.872 0.081 18221 7890 1 15 . 1 1 98 98 PHE N N 89 121.100 121.100 120.603 0.497 18221 7891 1 15 . 1 1 98 98 PHE C C 89 176.367 176.367 176.082 0.285 18221 7892 1 15 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.103 -1.203 18221 7893 1 15 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.626 0.206 18221 7894 1 15 . 1 1 98 98 PHE H H 89 8.000 8.000 8.050 -0.050 18221 7895 1 15 . 1 1 99 99 ALA N N 90 122.834 122.834 121.807 1.027 18221 7896 1 15 . 1 1 99 99 ALA C C 90 178.348 178.348 176.535 1.813 18221 7897 1 15 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.869 3.408 18221 7898 1 15 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.230 -0.816 18221 7899 1 15 . 1 1 99 99 ALA H H 90 8.322 8.322 6.650 1.672 18221 7900 1 15 . 1 1 100 100 GLY N N 91 106.688 106.688 111.340 -4.652 18221 7901 1 15 . 1 1 100 100 GLY C C 91 175.878 175.878 174.171 1.707 18221 7902 1 15 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.416 0.209 18221 7903 1 15 . 1 1 100 100 GLY H H 91 8.000 8.000 8.116 -0.116 18221 7904 1 15 . 1 1 101 101 THR N N 92 115.689 115.689 115.926 -0.237 18221 7905 1 15 . 1 1 101 101 THR C C 92 178.476 178.476 173.274 5.202 18221 7906 1 15 . 1 1 101 101 THR CA C 92 63.364 63.364 63.178 0.186 18221 7907 1 15 . 1 1 101 101 THR CB C 92 69.619 69.619 68.388 1.231 18221 7908 1 15 . 1 1 101 101 THR H H 92 7.754 7.754 8.263 -0.509 18221 7909 1 15 . 1 1 102 102 ALA N N 93 124.835 124.835 123.559 1.276 18221 7910 1 15 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.503 2.808 18221 7911 1 15 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.883 -3.204 18221 7912 1 15 . 1 1 102 102 ALA H H 93 7.919 7.919 7.626 0.293 18221 7913 1 15 . 1 1 103 103 LEU N N 94 117.445 117.445 120.188 -2.743 18221 7914 1 15 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.887 1.895 18221 7915 1 15 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.285 -0.383 18221 7916 1 15 . 1 1 103 103 LEU H H 94 8.037 8.037 8.634 -0.597 18221 7917 1 15 . 1 1 104 104 GLY N N 95 106.296 106.296 111.865 -5.569 18221 7918 1 15 . 1 1 104 104 GLY C C 95 175.851 175.851 174.009 1.842 18221 7919 1 15 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.785 1.784 18221 7920 1 15 . 1 1 104 104 GLY H H 95 7.900 7.900 8.020 -0.120 18221 7921 1 15 . 1 1 105 105 ALA N N 96 123.872 123.872 125.583 -1.711 18221 7922 1 15 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.203 2.923 18221 7923 1 15 . 1 1 105 105 ALA CB C 96 17.587 17.587 17.462 0.125 18221 7924 1 15 . 1 1 105 105 ALA H H 96 7.804 7.804 8.227 -0.423 18221 7925 1 15 . 1 1 106 106 TRP N N 97 120.348 120.348 119.606 0.742 18221 7926 1 15 . 1 1 106 106 TRP C C 97 176.857 176.857 174.850 2.007 18221 7927 1 15 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.445 -0.545 18221 7928 1 15 . 1 1 106 106 TRP H H 97 8.385 8.385 7.544 0.841 18221 7929 1 15 . 1 1 107 107 LEU N N 98 117.756 117.756 120.484 -2.728 18221 7930 1 15 . 1 1 107 107 LEU C C 98 177.659 177.659 177.293 0.366 18221 7931 1 15 . 1 1 107 107 LEU CA C 98 55.103 55.103 54.294 0.809 18221 7932 1 15 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.013 -1.595 18221 7933 1 15 . 1 1 107 107 LEU H H 98 7.880 7.880 8.390 -0.510 18221 7934 1 15 . 1 1 108 108 GLY N N 99 107.285 107.285 107.375 -0.090 18221 7935 1 15 . 1 1 108 108 GLY C C 99 173.815 173.815 173.426 0.389 18221 7936 1 15 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.729 0.218 18221 7937 1 15 . 1 1 108 108 GLY H H 99 7.694 7.694 8.403 -0.709 18221 7938 1 15 . 1 1 109 109 SER N N 100 117.139 117.139 116.460 0.679 18221 7939 1 15 . 1 1 109 109 SER C C 100 172.179 172.179 172.759 -0.580 18221 7940 1 15 . 1 1 109 109 SER CA C 100 56.015 56.015 57.755 -1.740 18221 7941 1 15 . 1 1 109 109 SER CB C 100 62.771 62.771 63.807 -1.036 18221 7942 1 15 . 1 1 109 109 SER H H 100 8.030 8.030 8.338 -0.308 18221 7943 1 15 . 1 1 111 111 PRO C C 102 177.073 177.073 176.280 0.793 18221 7944 1 15 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.512 -0.313 18221 7945 1 15 . 1 1 111 111 PRO CB C 102 31.211 31.211 29.724 1.487 18221 7946 1 15 . 1 1 112 112 SER N N 103 117.115 117.115 116.370 0.745 18221 7947 1 15 . 1 1 112 112 SER C C 103 173.898 173.898 173.933 -0.035 18221 7948 1 15 . 1 1 112 112 SER CA C 103 57.904 57.904 59.053 -1.149 18221 7949 1 15 . 1 1 112 112 SER CB C 103 63.360 63.360 63.425 -0.065 18221 7950 1 15 . 1 1 112 112 SER H H 103 8.345 8.345 8.329 0.016 18221 7951 1 16 . 1 1 11 11 GLY N N 2 109.366 109.366 111.063 -1.697 18221 7952 1 16 . 1 1 11 11 GLY C C 2 174.543 174.543 174.020 0.523 18221 7953 1 16 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.459 0.236 18221 7954 1 16 . 1 1 11 11 GLY H H 2 8.271 8.271 8.622 -0.351 18221 7955 1 16 . 1 1 12 12 LYS N N 3 121.129 121.129 119.467 1.662 18221 7956 1 16 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.469 -0.337 18221 7957 1 16 . 1 1 12 12 LYS C C 3 177.234 177.234 175.216 2.018 18221 7958 1 16 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.831 -0.019 18221 7959 1 16 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.560 -0.714 18221 7960 1 16 . 1 1 12 12 LYS H H 3 8.057 8.057 7.677 0.380 18221 7961 1 16 . 1 1 13 13 GLU N N 4 120.318 120.318 120.984 -0.666 18221 7962 1 16 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.424 -0.269 18221 7963 1 16 . 1 1 13 13 GLU C C 4 176.857 176.857 175.747 1.110 18221 7964 1 16 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.652 0.219 18221 7965 1 16 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.186 -1.798 18221 7966 1 16 . 1 1 13 13 GLU H H 4 8.398 8.398 8.378 0.020 18221 7967 1 16 . 1 1 14 14 SER N N 5 115.504 115.504 116.204 -0.700 18221 7968 1 16 . 1 1 14 14 SER HA H 5 3.843 3.843 4.374 -0.531 18221 7969 1 16 . 1 1 14 14 SER C C 5 175.337 175.337 174.202 1.135 18221 7970 1 16 . 1 1 14 14 SER CA C 5 58.524 58.524 58.555 -0.031 18221 7971 1 16 . 1 1 14 14 SER CB C 5 63.360 63.360 63.051 0.309 18221 7972 1 16 . 1 1 14 14 SER H H 5 8.089 8.089 8.041 0.048 18221 7973 1 16 . 1 1 15 15 GLY N N 6 110.761 110.761 112.130 -1.369 18221 7974 1 16 . 1 1 15 15 GLY C C 6 174.581 174.581 175.293 -0.712 18221 7975 1 16 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.563 0.003 18221 7976 1 16 . 1 1 15 15 GLY H H 6 8.197 8.197 8.563 -0.366 18221 7977 1 16 . 1 1 16 16 TRP N N 7 121.800 121.800 123.405 -1.605 18221 7978 1 16 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.511 0.049 18221 7979 1 16 . 1 1 16 16 TRP C C 7 176.920 176.920 176.612 0.308 18221 7980 1 16 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.840 -0.759 18221 7981 1 16 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.636 -0.957 18221 7982 1 16 . 1 1 16 16 TRP H H 7 8.184 8.184 8.040 0.144 18221 7983 1 16 . 1 1 17 17 ASP N N 8 121.132 121.132 117.189 3.943 18221 7984 1 16 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.504 -0.109 18221 7985 1 16 . 1 1 17 17 ASP C C 8 176.941 176.941 174.979 1.962 18221 7986 1 16 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.996 1.248 18221 7987 1 16 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.041 -1.096 18221 7988 1 16 . 1 1 17 17 ASP H H 8 8.332 8.332 8.145 0.187 18221 7989 1 16 . 1 1 18 18 SER N N 9 116.148 116.148 116.562 -0.414 18221 7990 1 16 . 1 1 18 18 SER HA H 9 3.861 3.861 4.343 -0.482 18221 7991 1 16 . 1 1 18 18 SER CA C 9 60.081 60.081 58.547 1.534 18221 7992 1 16 . 1 1 18 18 SER CB C 9 62.255 62.255 65.113 -2.858 18221 7993 1 16 . 1 1 18 18 SER H H 9 8.129 8.129 8.530 -0.401 18221 7994 1 16 . 1 1 19 19 GLY N N 10 110.747 110.747 112.029 -1.282 18221 7995 1 16 . 1 1 19 19 GLY C C 10 174.682 174.682 174.774 -0.092 18221 7996 1 16 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.465 1.135 18221 7997 1 16 . 1 1 19 19 GLY H H 10 8.216 8.216 8.458 -0.242 18221 7998 1 16 . 1 1 20 20 ARG N N 11 121.405 121.405 119.810 1.595 18221 7999 1 16 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.214 -0.357 18221 8000 1 16 . 1 1 20 20 ARG C C 11 178.328 178.328 178.813 -0.485 18221 8001 1 16 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.980 1.105 18221 8002 1 16 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.231 -1.184 18221 8003 1 16 . 1 1 20 20 ARG H H 11 8.158 8.158 8.519 -0.361 18221 8004 1 16 . 1 1 21 21 ALA N N 12 122.167 122.167 121.662 0.505 18221 8005 1 16 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.056 0.044 18221 8006 1 16 . 1 1 21 21 ALA C C 12 180.129 180.129 179.270 0.859 18221 8007 1 16 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.514 -0.122 18221 8008 1 16 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.909 -0.495 18221 8009 1 16 . 1 1 21 21 ALA H H 12 7.963 7.963 8.382 -0.419 18221 8010 1 16 . 1 1 22 22 ALA N N 13 122.150 122.150 122.138 0.012 18221 8011 1 16 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.805 0.232 18221 8012 1 16 . 1 1 22 22 ALA C C 13 179.095 179.095 179.230 -0.135 18221 8013 1 16 . 1 1 22 22 ALA CA C 13 54.716 54.716 55.153 -0.437 18221 8014 1 16 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.198 -0.637 18221 8015 1 16 . 1 1 22 22 ALA H H 13 7.881 7.881 7.472 0.409 18221 8016 1 16 . 1 1 23 23 VAL N N 14 117.107 117.107 117.290 -0.183 18221 8017 1 16 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.605 -0.125 18221 8018 1 16 . 1 1 23 23 VAL C C 14 177.586 177.586 177.810 -0.224 18221 8019 1 16 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.353 0.845 18221 8020 1 16 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.215 0.305 18221 8021 1 16 . 1 1 23 23 VAL H H 14 7.888 7.888 8.097 -0.209 18221 8022 1 16 . 1 1 24 24 ALA N N 15 121.333 121.333 122.685 -1.352 18221 8023 1 16 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.919 0.062 18221 8024 1 16 . 1 1 24 24 ALA C C 15 180.373 180.373 179.302 1.071 18221 8025 1 16 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.138 -0.127 18221 8026 1 16 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.720 -0.468 18221 8027 1 16 . 1 1 24 24 ALA H H 15 8.037 8.037 7.836 0.201 18221 8028 1 16 . 1 1 25 25 ALA N N 16 121.158 121.158 120.480 0.678 18221 8029 1 16 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.126 0.020 18221 8030 1 16 . 1 1 25 25 ALA C C 16 179.828 179.828 179.071 0.757 18221 8031 1 16 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.849 -0.398 18221 8032 1 16 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.350 -0.863 18221 8033 1 16 . 1 1 25 25 ALA H H 16 7.819 7.819 7.777 0.042 18221 8034 1 16 . 1 1 26 26 VAL N N 17 118.417 118.417 115.464 2.953 18221 8035 1 16 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.944 -0.166 18221 8036 1 16 . 1 1 26 26 VAL C C 17 178.020 178.020 176.686 1.334 18221 8037 1 16 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.593 1.985 18221 8038 1 16 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.275 -0.190 18221 8039 1 16 . 1 1 26 26 VAL H H 17 7.848 7.848 7.850 -0.002 18221 8040 1 16 . 1 1 27 27 VAL N N 18 119.240 119.240 119.454 -0.214 18221 8041 1 16 . 1 1 27 27 VAL C C 18 177.719 177.719 176.761 0.958 18221 8042 1 16 . 1 1 27 27 VAL CA C 18 65.991 65.991 63.375 2.616 18221 8043 1 16 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.210 -2.023 18221 8044 1 16 . 1 1 27 27 VAL H H 18 8.377 8.377 7.393 0.984 18221 8045 1 16 . 1 1 28 28 GLY N N 19 106.009 106.009 106.672 -0.663 18221 8046 1 16 . 1 1 28 28 GLY C C 19 176.212 176.212 174.536 1.676 18221 8047 1 16 . 1 1 28 28 GLY CA C 19 46.244 46.244 47.227 -0.983 18221 8048 1 16 . 1 1 28 28 GLY H H 19 8.122 8.122 8.079 0.043 18221 8049 1 16 . 1 1 29 29 GLY N N 20 110.216 110.216 112.478 -2.262 18221 8050 1 16 . 1 1 29 29 GLY C C 20 174.097 174.097 175.602 -1.505 18221 8051 1 16 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.803 1.530 18221 8052 1 16 . 1 1 29 29 GLY H H 20 8.039 8.039 7.987 0.052 18221 8053 1 16 . 1 1 30 30 VAL N N 21 121.188 121.188 119.974 1.214 18221 8054 1 16 . 1 1 30 30 VAL C C 21 177.073 177.073 177.690 -0.617 18221 8055 1 16 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.216 -3.642 18221 8056 1 16 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.303 -0.513 18221 8057 1 16 . 1 1 30 30 VAL H H 21 7.983 7.983 7.579 0.404 18221 8058 1 16 . 1 1 32 32 ALA N N 23 125.091 125.091 121.670 3.421 18221 8059 1 16 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.007 0.253 18221 8060 1 16 . 1 1 32 32 ALA C C 23 179.523 179.523 179.411 0.112 18221 8061 1 16 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.210 -1.527 18221 8062 1 16 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.956 -1.573 18221 8063 1 16 . 1 1 32 32 ALA H H 23 8.036 8.036 7.859 0.177 18221 8064 1 16 . 1 1 33 33 VAL N N 24 118.793 118.793 115.459 3.334 18221 8065 1 16 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.779 -0.071 18221 8066 1 16 . 1 1 33 33 VAL C C 24 177.901 177.901 177.990 -0.089 18221 8067 1 16 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.529 -0.099 18221 8068 1 16 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.065 0.253 18221 8069 1 16 . 1 1 33 33 VAL H H 24 8.195 8.195 8.145 0.050 18221 8070 1 16 . 1 1 34 34 GLY N N 25 108.367 108.367 109.514 -1.147 18221 8071 1 16 . 1 1 34 34 GLY C C 25 175.424 175.424 175.942 -0.518 18221 8072 1 16 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.427 -0.093 18221 8073 1 16 . 1 1 34 34 GLY H H 25 8.651 8.651 8.324 0.327 18221 8074 1 16 . 1 1 35 35 THR N N 26 116.448 116.448 119.586 -3.138 18221 8075 1 16 . 1 1 35 35 THR C C 26 176.843 176.843 176.616 0.227 18221 8076 1 16 . 1 1 35 35 THR CA C 26 65.962 65.962 66.474 -0.512 18221 8077 1 16 . 1 1 35 35 THR CB C 26 68.414 68.414 68.382 0.032 18221 8078 1 16 . 1 1 35 35 THR H H 26 7.975 7.975 8.373 -0.398 18221 8079 1 16 . 1 1 36 36 VAL N N 27 122.810 122.810 122.271 0.539 18221 8080 1 16 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.593 0.126 18221 8081 1 16 . 1 1 36 36 VAL C C 27 177.618 177.618 177.245 0.373 18221 8082 1 16 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.334 -0.608 18221 8083 1 16 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.685 -1.018 18221 8084 1 16 . 1 1 36 36 VAL H H 27 7.559 7.559 8.122 -0.563 18221 8085 1 16 . 1 1 37 37 LEU N N 28 119.566 119.566 120.219 -0.653 18221 8086 1 16 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.942 0.011 18221 8087 1 16 . 1 1 37 37 LEU C C 28 179.666 179.666 178.697 0.969 18221 8088 1 16 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.032 -0.187 18221 8089 1 16 . 1 1 37 37 LEU CB C 28 40.166 40.166 42.042 -1.876 18221 8090 1 16 . 1 1 37 37 LEU H H 28 8.086 8.086 7.745 0.341 18221 8091 1 16 . 1 1 38 38 VAL N N 29 119.468 119.468 118.811 0.657 18221 8092 1 16 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.502 0.151 18221 8093 1 16 . 1 1 38 38 VAL C C 29 178.639 178.639 177.572 1.067 18221 8094 1 16 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.572 -1.099 18221 8095 1 16 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.414 -0.805 18221 8096 1 16 . 1 1 38 38 VAL H H 29 8.066 8.066 8.155 -0.089 18221 8097 1 16 . 1 1 39 39 ALA N N 30 124.255 124.255 122.144 2.111 18221 8098 1 16 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.152 0.013 18221 8099 1 16 . 1 1 39 39 ALA C C 30 180.303 180.303 178.863 1.440 18221 8100 1 16 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.758 0.076 18221 8101 1 16 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.444 -0.736 18221 8102 1 16 . 1 1 39 39 ALA H H 30 7.688 7.688 7.810 -0.122 18221 8103 1 16 . 1 1 40 40 LEU N N 31 118.268 118.268 118.010 0.258 18221 8104 1 16 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.121 0.020 18221 8105 1 16 . 1 1 40 40 LEU C C 31 179.271 179.271 178.138 1.133 18221 8106 1 16 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.060 0.018 18221 8107 1 16 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.348 -1.446 18221 8108 1 16 . 1 1 40 40 LEU H H 31 8.326 8.326 7.890 0.436 18221 8109 1 16 . 1 1 41 41 SER N N 32 114.984 114.984 113.445 1.539 18221 8110 1 16 . 1 1 41 41 SER HA H 32 3.952 3.952 4.416 -0.464 18221 8111 1 16 . 1 1 41 41 SER C C 32 176.284 176.284 174.986 1.298 18221 8112 1 16 . 1 1 41 41 SER CA C 32 60.885 60.885 60.214 0.671 18221 8113 1 16 . 1 1 41 41 SER CB C 32 62.410 62.410 63.988 -1.578 18221 8114 1 16 . 1 1 41 41 SER H H 32 8.062 8.062 7.913 0.149 18221 8115 1 16 . 1 1 42 42 ALA N N 33 124.588 124.588 122.746 1.842 18221 8116 1 16 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.176 0.049 18221 8117 1 16 . 1 1 42 42 ALA C C 33 179.033 179.033 177.963 1.070 18221 8118 1 16 . 1 1 42 42 ALA CA C 33 53.713 53.713 53.233 0.480 18221 8119 1 16 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.999 -1.070 18221 8120 1 16 . 1 1 42 42 ALA H H 33 7.813 7.813 7.865 -0.052 18221 8121 1 16 . 1 1 43 43 MET N N 34 116.808 116.808 115.040 1.768 18221 8122 1 16 . 1 1 43 43 MET HA H 34 4.285 4.285 4.193 0.092 18221 8123 1 16 . 1 1 43 43 MET C C 34 176.807 176.807 175.676 1.131 18221 8124 1 16 . 1 1 43 43 MET CA C 34 56.576 56.576 56.035 0.541 18221 8125 1 16 . 1 1 43 43 MET CB C 34 32.435 32.435 31.874 0.561 18221 8126 1 16 . 1 1 43 43 MET H H 34 7.691 7.691 8.533 -0.842 18221 8127 1 16 . 1 1 44 44 GLY N N 35 107.020 107.020 106.966 0.054 18221 8128 1 16 . 1 1 44 44 GLY C C 35 174.493 174.493 173.585 0.908 18221 8129 1 16 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.365 -0.300 18221 8130 1 16 . 1 1 44 44 GLY H H 35 7.793 7.793 7.934 -0.141 18221 8131 1 16 . 1 1 45 45 PHE N N 36 120.285 120.285 124.587 -4.302 18221 8132 1 16 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.850 -0.343 18221 8133 1 16 . 1 1 45 45 PHE C C 36 176.876 176.876 174.880 1.996 18221 8134 1 16 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.427 1.510 18221 8135 1 16 . 1 1 45 45 PHE CB C 36 38.178 38.178 40.944 -2.766 18221 8136 1 16 . 1 1 45 45 PHE H H 36 8.215 8.215 8.191 0.024 18221 8137 1 16 . 1 1 46 46 THR N N 37 114.008 114.008 115.462 -1.454 18221 8138 1 16 . 1 1 46 46 THR HA H 37 4.080 4.080 4.339 -0.259 18221 8139 1 16 . 1 1 46 46 THR C C 37 175.751 175.751 174.246 1.505 18221 8140 1 16 . 1 1 46 46 THR CA C 37 64.220 64.220 61.930 2.290 18221 8141 1 16 . 1 1 46 46 THR CB C 37 68.514 68.514 69.706 -1.192 18221 8142 1 16 . 1 1 46 46 THR H H 37 8.111 8.111 8.157 -0.046 18221 8143 1 16 . 1 1 47 47 SER N N 38 116.646 116.646 116.648 -0.002 18221 8144 1 16 . 1 1 47 47 SER HA H 38 3.918 3.918 4.431 -0.513 18221 8145 1 16 . 1 1 47 47 SER C C 38 176.744 176.744 176.087 0.657 18221 8146 1 16 . 1 1 47 47 SER CA C 38 59.911 59.911 58.710 1.201 18221 8147 1 16 . 1 1 47 47 SER CB C 38 62.624 62.624 63.705 -1.081 18221 8148 1 16 . 1 1 47 47 SER H H 38 8.079 8.079 8.432 -0.353 18221 8149 1 16 . 1 1 48 48 VAL N N 39 121.929 121.929 120.558 1.371 18221 8150 1 16 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.541 0.368 18221 8151 1 16 . 1 1 48 48 VAL C C 39 177.033 177.033 177.646 -0.613 18221 8152 1 16 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.763 0.225 18221 8153 1 16 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.598 0.070 18221 8154 1 16 . 1 1 48 48 VAL H H 39 7.985 7.985 8.183 -0.198 18221 8155 1 16 . 1 1 49 49 GLY N N 40 108.633 108.633 108.870 -0.237 18221 8156 1 16 . 1 1 49 49 GLY C C 40 176.038 176.038 176.405 -0.367 18221 8157 1 16 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.320 -0.455 18221 8158 1 16 . 1 1 49 49 GLY H H 40 8.267 8.267 8.537 -0.270 18221 8159 1 16 . 1 1 50 50 ILE N N 41 122.466 122.466 122.052 0.414 18221 8160 1 16 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.655 0.216 18221 8161 1 16 . 1 1 50 50 ILE C C 41 178.363 178.363 177.787 0.576 18221 8162 1 16 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.594 -1.079 18221 8163 1 16 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.776 -0.538 18221 8164 1 16 . 1 1 50 50 ILE H H 41 7.865 7.865 8.094 -0.229 18221 8165 1 16 . 1 1 51 51 ALA N N 42 125.064 125.064 121.661 3.403 18221 8166 1 16 . 1 1 51 51 ALA HA H 42 4.099 4.099 4.023 0.076 18221 8167 1 16 . 1 1 51 51 ALA C C 42 179.385 179.385 178.955 0.430 18221 8168 1 16 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.118 -0.638 18221 8169 1 16 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.977 -0.490 18221 8170 1 16 . 1 1 51 51 ALA H H 42 7.930 7.930 7.635 0.295 18221 8171 1 16 . 1 1 52 52 ALA N N 43 120.594 120.594 120.185 0.409 18221 8172 1 16 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.144 -0.207 18221 8173 1 16 . 1 1 52 52 ALA C C 43 179.088 179.088 180.030 -0.942 18221 8174 1 16 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.756 0.344 18221 8175 1 16 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.049 -0.413 18221 8176 1 16 . 1 1 52 52 ALA H H 43 8.639 8.639 8.005 0.634 18221 8177 1 16 . 1 1 53 53 SER N N 44 113.012 113.012 115.329 -2.317 18221 8178 1 16 . 1 1 53 53 SER HA H 44 3.966 3.966 4.197 -0.231 18221 8179 1 16 . 1 1 53 53 SER C C 44 176.898 176.898 176.860 0.038 18221 8180 1 16 . 1 1 53 53 SER CA C 44 61.139 61.139 62.234 -1.095 18221 8181 1 16 . 1 1 53 53 SER CB C 44 62.347 62.347 63.148 -0.801 18221 8182 1 16 . 1 1 53 53 SER H H 44 8.193 8.193 8.201 -0.008 18221 8183 1 16 . 1 1 54 54 SER N N 45 118.714 118.714 118.004 0.710 18221 8184 1 16 . 1 1 54 54 SER HA H 45 3.975 3.975 4.189 -0.214 18221 8185 1 16 . 1 1 54 54 SER C C 45 177.131 177.131 175.985 1.146 18221 8186 1 16 . 1 1 54 54 SER CA C 45 61.210 61.210 61.976 -0.766 18221 8187 1 16 . 1 1 54 54 SER CB C 45 62.255 62.255 63.160 -0.904 18221 8188 1 16 . 1 1 54 54 SER H H 45 7.944 7.944 8.206 -0.262 18221 8189 1 16 . 1 1 55 55 ILE N N 46 122.912 122.912 121.764 1.148 18221 8190 1 16 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.787 -0.030 18221 8191 1 16 . 1 1 55 55 ILE C C 46 177.813 177.813 177.068 0.745 18221 8192 1 16 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.032 0.159 18221 8193 1 16 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.189 -1.263 18221 8194 1 16 . 1 1 55 55 ILE H H 46 8.028 8.028 8.004 0.024 18221 8195 1 16 . 1 1 56 56 ALA N N 47 122.990 122.990 122.006 0.984 18221 8196 1 16 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.049 -0.093 18221 8197 1 16 . 1 1 56 56 ALA C C 47 180.294 180.294 178.327 1.967 18221 8198 1 16 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.196 0.142 18221 8199 1 16 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.743 -1.041 18221 8200 1 16 . 1 1 56 56 ALA H H 47 8.333 8.333 8.083 0.250 18221 8201 1 16 . 1 1 57 57 ALA N N 48 121.988 121.988 122.248 -0.260 18221 8202 1 16 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.201 -0.133 18221 8203 1 16 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.316 2.105 18221 8204 1 16 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.637 -1.935 18221 8205 1 16 . 1 1 57 57 ALA H H 48 7.879 7.879 7.719 0.160 18221 8206 1 16 . 1 1 58 58 LYS N N 49 119.094 119.094 117.816 1.278 18221 8207 1 16 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.927 0.219 18221 8208 1 16 . 1 1 58 58 LYS C C 49 179.649 179.649 175.138 4.511 18221 8209 1 16 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.163 -0.005 18221 8210 1 16 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.810 0.520 18221 8211 1 16 . 1 1 58 58 LYS H H 49 7.727 7.727 8.228 -0.501 18221 8212 1 16 . 1 1 59 59 MET N N 50 120.498 120.498 121.283 -0.785 18221 8213 1 16 . 1 1 59 59 MET HA H 50 4.156 4.156 4.465 -0.309 18221 8214 1 16 . 1 1 59 59 MET C C 50 177.949 177.949 174.939 3.010 18221 8215 1 16 . 1 1 59 59 MET CA C 50 57.136 57.136 55.228 1.908 18221 8216 1 16 . 1 1 59 59 MET CB C 50 31.922 31.922 33.875 -1.953 18221 8217 1 16 . 1 1 59 59 MET H H 50 8.395 8.395 7.979 0.416 18221 8218 1 16 . 1 1 60 60 MET N N 51 117.689 117.689 121.815 -4.126 18221 8219 1 16 . 1 1 60 60 MET HA H 51 4.222 4.222 4.316 -0.094 18221 8220 1 16 . 1 1 60 60 MET C C 51 177.674 177.674 174.874 2.800 18221 8221 1 16 . 1 1 60 60 MET CA C 51 57.638 57.638 55.616 2.022 18221 8222 1 16 . 1 1 60 60 MET CB C 51 31.785 31.785 32.426 -0.641 18221 8223 1 16 . 1 1 60 60 MET H H 51 8.234 8.234 8.306 -0.072 18221 8224 1 16 . 1 1 61 61 SER N N 52 114.385 114.385 119.433 -5.048 18221 8225 1 16 . 1 1 61 61 SER HA H 52 4.001 4.001 4.710 -0.709 18221 8226 1 16 . 1 1 61 61 SER C C 52 176.079 176.079 174.671 1.408 18221 8227 1 16 . 1 1 61 61 SER CA C 52 59.911 59.911 57.306 2.605 18221 8228 1 16 . 1 1 61 61 SER CB C 52 62.624 62.624 63.117 -0.493 18221 8229 1 16 . 1 1 61 61 SER H H 52 7.893 7.893 8.494 -0.601 18221 8230 1 16 . 1 1 62 62 THR N N 53 117.304 117.304 121.219 -3.915 18221 8231 1 16 . 1 1 62 62 THR HA H 53 4.104 4.104 4.124 -0.020 18221 8232 1 16 . 1 1 62 62 THR C C 53 175.436 175.436 174.881 0.555 18221 8233 1 16 . 1 1 62 62 THR CA C 53 64.220 64.220 63.003 1.217 18221 8234 1 16 . 1 1 62 62 THR CB C 53 68.514 68.514 69.903 -1.389 18221 8235 1 16 . 1 1 62 62 THR H H 53 7.794 7.794 8.132 -0.338 18221 8236 1 16 . 1 1 63 63 ALA N N 54 125.382 125.382 129.210 -3.828 18221 8237 1 16 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.291 -0.197 18221 8238 1 16 . 1 1 63 63 ALA C C 54 178.328 178.328 176.329 1.999 18221 8239 1 16 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.292 1.804 18221 8240 1 16 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.550 -1.842 18221 8241 1 16 . 1 1 63 63 ALA H H 54 8.204 8.204 8.351 -0.147 18221 8242 1 16 . 1 1 64 64 ALA N N 55 119.929 119.929 125.495 -5.566 18221 8243 1 16 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.535 -0.410 18221 8244 1 16 . 1 1 64 64 ALA C C 55 179.183 179.183 177.099 2.084 18221 8245 1 16 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.104 2.933 18221 8246 1 16 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.201 -2.493 18221 8247 1 16 . 1 1 64 64 ALA H H 55 7.951 7.951 8.261 -0.310 18221 8248 1 16 . 1 1 65 65 ILE N N 56 117.016 117.016 122.507 -5.491 18221 8249 1 16 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.062 -0.112 18221 8250 1 16 . 1 1 65 65 ILE C C 56 177.222 177.222 175.775 1.447 18221 8251 1 16 . 1 1 65 65 ILE CA C 56 62.184 62.184 60.839 1.345 18221 8252 1 16 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.117 -1.044 18221 8253 1 16 . 1 1 65 65 ILE H H 56 7.561 7.561 8.545 -0.984 18221 8254 1 16 . 1 1 66 66 ALA N N 57 124.191 124.191 130.805 -6.614 18221 8255 1 16 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.094 0.083 18221 8256 1 16 . 1 1 66 66 ALA C C 57 178.190 178.190 176.408 1.782 18221 8257 1 16 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.485 1.051 18221 8258 1 16 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.754 -0.825 18221 8259 1 16 . 1 1 66 66 ALA H H 57 7.982 7.982 8.495 -0.513 18221 8260 1 16 . 1 1 67 67 ASN N N 58 116.132 116.132 117.550 -1.418 18221 8261 1 16 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.501 0.172 18221 8262 1 16 . 1 1 67 67 ASN C C 58 176.344 176.344 174.476 1.868 18221 8263 1 16 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.638 -0.161 18221 8264 1 16 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.908 -0.436 18221 8265 1 16 . 1 1 67 67 ASN H H 58 8.113 8.113 8.403 -0.290 18221 8266 1 16 . 1 1 68 68 GLY N N 59 108.808 108.808 107.893 0.915 18221 8267 1 16 . 1 1 68 68 GLY C C 59 174.958 174.958 174.391 0.567 18221 8268 1 16 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.507 1.148 18221 8269 1 16 . 1 1 68 68 GLY H H 59 8.152 8.152 7.893 0.259 18221 8270 1 16 . 1 1 69 69 GLY N N 60 108.832 108.832 108.869 -0.037 18221 8271 1 16 . 1 1 69 69 GLY C C 60 174.631 174.631 174.574 0.057 18221 8272 1 16 . 1 1 69 69 GLY CA C 60 45.419 45.419 46.005 -0.586 18221 8273 1 16 . 1 1 69 69 GLY H H 60 8.218 8.218 8.622 -0.404 18221 8274 1 16 . 1 1 70 70 GLY N N 61 108.966 108.966 105.680 3.286 18221 8275 1 16 . 1 1 70 70 GLY C C 61 174.594 174.594 173.951 0.643 18221 8276 1 16 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.853 0.507 18221 8277 1 16 . 1 1 70 70 GLY H H 61 8.175 8.175 7.866 0.309 18221 8278 1 16 . 1 1 71 71 VAL N N 62 120.209 120.209 120.929 -0.720 18221 8279 1 16 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.058 -0.052 18221 8280 1 16 . 1 1 71 71 VAL C C 62 176.077 176.077 176.942 -0.865 18221 8281 1 16 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.715 -1.325 18221 8282 1 16 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.172 -0.474 18221 8283 1 16 . 1 1 71 71 VAL H H 62 7.882 7.882 8.520 -0.638 18221 8284 1 16 . 1 1 72 72 ALA N N 63 126.966 126.966 123.353 3.613 18221 8285 1 16 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.663 -0.637 18221 8286 1 16 . 1 1 72 72 ALA C C 63 178.064 178.064 175.861 2.203 18221 8287 1 16 . 1 1 72 72 ALA CA C 63 52.503 52.503 51.434 1.069 18221 8288 1 16 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.921 -0.696 18221 8289 1 16 . 1 1 72 72 ALA H H 63 8.237 8.237 7.978 0.259 18221 8290 1 16 . 1 1 73 73 ALA N N 64 123.432 123.432 124.885 -1.453 18221 8291 1 16 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.564 -0.549 18221 8292 1 16 . 1 1 73 73 ALA C C 64 178.995 178.995 176.063 2.932 18221 8293 1 16 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.586 1.835 18221 8294 1 16 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.417 -2.414 18221 8295 1 16 . 1 1 73 73 ALA H H 64 8.421 8.421 8.221 0.200 18221 8296 1 16 . 1 1 74 74 GLY N N 65 105.577 105.577 110.312 -4.735 18221 8297 1 16 . 1 1 74 74 GLY C C 65 176.367 176.367 174.955 1.412 18221 8298 1 16 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.633 1.611 18221 8299 1 16 . 1 1 74 74 GLY H H 65 8.448 8.448 8.010 0.438 18221 8300 1 16 . 1 1 75 75 SER N N 66 117.656 117.656 116.292 1.364 18221 8301 1 16 . 1 1 75 75 SER HA H 66 4.394 4.394 4.219 0.175 18221 8302 1 16 . 1 1 75 75 SER C C 66 176.329 176.329 176.788 -0.459 18221 8303 1 16 . 1 1 75 75 SER CA C 66 60.236 60.236 60.866 -0.630 18221 8304 1 16 . 1 1 75 75 SER CB C 66 62.476 62.476 63.028 -0.552 18221 8305 1 16 . 1 1 75 75 SER H H 66 7.899 7.899 8.522 -0.623 18221 8306 1 16 . 1 1 76 76 LEU N N 67 122.743 122.743 122.602 0.141 18221 8307 1 16 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.991 0.059 18221 8308 1 16 . 1 1 76 76 LEU C C 67 178.442 178.442 178.350 0.092 18221 8309 1 16 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.051 -0.531 18221 8310 1 16 . 1 1 76 76 LEU CB C 67 40.681 40.681 42.117 -1.436 18221 8311 1 16 . 1 1 76 76 LEU H H 67 7.955 7.955 7.998 -0.043 18221 8312 1 16 . 1 1 77 77 VAL N N 68 118.400 118.400 118.289 0.111 18221 8313 1 16 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.510 -0.039 18221 8314 1 16 . 1 1 77 77 VAL C C 68 177.297 177.297 177.374 -0.077 18221 8315 1 16 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.553 0.117 18221 8316 1 16 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.885 -0.365 18221 8317 1 16 . 1 1 77 77 VAL H H 68 8.039 8.039 8.013 0.026 18221 8318 1 16 . 1 1 78 78 ALA N N 69 121.927 121.927 122.629 -0.702 18221 8319 1 16 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.007 0.198 18221 8320 1 16 . 1 1 78 78 ALA C C 69 181.258 181.258 179.241 2.017 18221 8321 1 16 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.388 -0.406 18221 8322 1 16 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.230 -0.816 18221 8323 1 16 . 1 1 78 78 ALA H H 69 7.631 7.631 7.967 -0.336 18221 8324 1 16 . 1 1 79 79 ILE N N 70 119.782 119.782 117.083 2.699 18221 8325 1 16 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.897 -0.101 18221 8326 1 16 . 1 1 79 79 ILE C C 70 178.253 178.253 177.691 0.562 18221 8327 1 16 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.463 0.889 18221 8328 1 16 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.690 -0.617 18221 8329 1 16 . 1 1 79 79 ILE H H 70 7.841 7.841 7.714 0.127 18221 8330 1 16 . 1 1 80 80 LEU N N 71 120.841 120.841 122.028 -1.187 18221 8331 1 16 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.780 0.157 18221 8332 1 16 . 1 1 80 80 LEU C C 71 179.234 179.234 178.697 0.537 18221 8333 1 16 . 1 1 80 80 LEU CA C 71 57.845 57.845 59.093 -1.248 18221 8334 1 16 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.849 -1.830 18221 8335 1 16 . 1 1 80 80 LEU H H 71 8.190 8.190 8.382 -0.192 18221 8336 1 16 . 1 1 81 81 GLN N N 72 117.558 117.558 117.108 0.450 18221 8337 1 16 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.950 0.019 18221 8338 1 16 . 1 1 81 81 GLN C C 72 178.530 178.530 178.767 -0.237 18221 8339 1 16 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.078 -0.259 18221 8340 1 16 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.730 -1.450 18221 8341 1 16 . 1 1 81 81 GLN H H 72 8.489 8.489 8.434 0.055 18221 8342 1 16 . 1 1 82 82 SER N N 73 116.103 116.103 116.090 0.013 18221 8343 1 16 . 1 1 82 82 SER HA H 73 4.233 4.233 4.122 0.111 18221 8344 1 16 . 1 1 82 82 SER C C 73 177.243 177.243 176.812 0.431 18221 8345 1 16 . 1 1 82 82 SER CA C 73 61.044 61.044 62.267 -1.223 18221 8346 1 16 . 1 1 82 82 SER CB C 73 62.257 62.257 63.167 -0.910 18221 8347 1 16 . 1 1 82 82 SER H H 73 7.855 7.855 8.137 -0.282 18221 8348 1 16 . 1 1 83 83 VAL N N 74 120.362 120.362 118.024 2.338 18221 8349 1 16 . 1 1 83 83 VAL C C 74 177.979 177.979 177.375 0.604 18221 8350 1 16 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.651 -0.545 18221 8351 1 16 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.461 -0.720 18221 8352 1 16 . 1 1 83 83 VAL H H 74 8.030 8.030 8.059 -0.029 18221 8353 1 16 . 1 1 84 84 GLY N N 75 108.223 108.223 108.055 0.168 18221 8354 1 16 . 1 1 84 84 GLY C C 75 174.913 174.913 175.514 -0.601 18221 8355 1 16 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.050 -0.273 18221 8356 1 16 . 1 1 84 84 GLY H H 75 8.369 8.369 7.829 0.540 18221 8357 1 16 . 1 1 85 85 ALA N N 76 123.550 123.550 124.495 -0.945 18221 8358 1 16 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.124 -0.030 18221 8359 1 16 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.902 -0.304 18221 8360 1 16 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.289 -0.666 18221 8361 1 16 . 1 1 85 85 ALA H H 76 8.115 8.115 8.415 -0.300 18221 8362 1 16 . 1 1 86 86 ALA N N 77 120.410 120.410 120.866 -0.456 18221 8363 1 16 . 1 1 86 86 ALA C C 77 178.988 178.988 179.554 -0.566 18221 8364 1 16 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.378 -0.542 18221 8365 1 16 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.946 -0.436 18221 8366 1 16 . 1 1 86 86 ALA H H 77 8.632 8.632 8.288 0.344 18221 8367 1 16 . 1 1 87 87 GLY N N 78 105.706 105.706 107.345 -1.639 18221 8368 1 16 . 1 1 87 87 GLY C C 78 175.939 175.939 176.239 -0.300 18221 8369 1 16 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.081 -0.963 18221 8370 1 16 . 1 1 87 87 GLY H H 78 8.196 8.196 7.846 0.350 18221 8371 1 16 . 1 1 88 88 LEU N N 79 124.128 124.128 121.701 2.427 18221 8372 1 16 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.887 -0.485 18221 8373 1 16 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.866 -1.479 18221 8374 1 16 . 1 1 88 88 LEU H H 79 8.449 8.449 8.058 0.391 18221 8375 1 16 . 1 1 89 89 SER N N 80 116.251 116.251 115.015 1.236 18221 8376 1 16 . 1 1 89 89 SER C C 80 179.153 179.153 176.277 2.876 18221 8377 1 16 . 1 1 89 89 SER CA C 80 61.023 61.023 62.318 -1.295 18221 8378 1 16 . 1 1 89 89 SER CB C 80 62.255 62.255 63.187 -0.932 18221 8379 1 16 . 1 1 89 89 SER H H 80 8.120 8.120 8.280 -0.160 18221 8380 1 16 . 1 1 90 90 VAL N N 81 119.310 119.310 121.224 -1.914 18221 8381 1 16 . 1 1 90 90 VAL C C 81 177.652 177.652 177.747 -0.095 18221 8382 1 16 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.453 -0.377 18221 8383 1 16 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.709 -0.379 18221 8384 1 16 . 1 1 90 90 VAL H H 81 7.955 7.955 8.040 -0.085 18221 8385 1 16 . 1 1 91 91 THR N N 82 115.535 115.535 116.256 -0.721 18221 8386 1 16 . 1 1 91 91 THR C C 82 176.571 176.571 176.646 -0.075 18221 8387 1 16 . 1 1 91 91 THR CA C 82 66.434 66.434 66.906 -0.472 18221 8388 1 16 . 1 1 91 91 THR CB C 82 67.742 67.742 68.417 -0.675 18221 8389 1 16 . 1 1 91 91 THR H H 82 7.888 7.888 8.426 -0.538 18221 8390 1 16 . 1 1 92 92 SER N N 83 116.537 116.537 117.985 -1.448 18221 8391 1 16 . 1 1 92 92 SER HA H 83 4.040 4.040 4.002 0.038 18221 8392 1 16 . 1 1 92 92 SER C C 83 176.761 176.761 176.462 0.299 18221 8393 1 16 . 1 1 92 92 SER CA C 83 61.564 61.564 62.005 -0.441 18221 8394 1 16 . 1 1 92 92 SER CB C 83 62.009 62.009 63.155 -1.146 18221 8395 1 16 . 1 1 92 92 SER H H 83 8.212 8.212 8.217 -0.005 18221 8396 1 16 . 1 1 93 93 LYS N N 84 122.353 122.353 121.481 0.872 18221 8397 1 16 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.175 -0.056 18221 8398 1 16 . 1 1 93 93 LYS C C 84 172.812 172.812 179.602 -6.790 18221 8399 1 16 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.710 -1.275 18221 8400 1 16 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.461 -0.984 18221 8401 1 16 . 1 1 93 93 LYS H H 84 7.642 7.642 8.448 -0.806 18221 8402 1 16 . 1 1 94 94 VAL N N 85 119.348 119.348 118.279 1.069 18221 8403 1 16 . 1 1 94 94 VAL C C 85 177.948 177.948 177.731 0.217 18221 8404 1 16 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.111 0.278 18221 8405 1 16 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.750 0.096 18221 8406 1 16 . 1 1 94 94 VAL H H 85 8.414 8.414 7.859 0.555 18221 8407 1 16 . 1 1 95 95 ILE N N 86 118.769 118.769 119.238 -0.469 18221 8408 1 16 . 1 1 95 95 ILE C C 86 177.972 177.972 176.359 1.613 18221 8409 1 16 . 1 1 95 95 ILE CA C 86 63.837 63.837 64.131 -0.294 18221 8410 1 16 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.902 -2.270 18221 8411 1 16 . 1 1 95 95 ILE H H 86 8.169 8.169 7.826 0.343 18221 8412 1 16 . 1 1 96 96 GLY N N 87 107.955 107.955 104.707 3.248 18221 8413 1 16 . 1 1 96 96 GLY C C 87 176.571 176.571 174.288 2.283 18221 8414 1 16 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.835 1.676 18221 8415 1 16 . 1 1 96 96 GLY H H 87 8.182 8.182 8.189 -0.007 18221 8416 1 16 . 1 1 97 97 GLY N N 88 109.117 109.117 113.256 -4.139 18221 8417 1 16 . 1 1 97 97 GLY C C 88 175.524 175.524 174.020 1.504 18221 8418 1 16 . 1 1 97 97 GLY CA C 88 45.832 45.832 47.091 -1.259 18221 8419 1 16 . 1 1 97 97 GLY H H 88 7.953 7.953 8.147 -0.194 18221 8420 1 16 . 1 1 98 98 PHE N N 89 121.100 121.100 123.558 -2.458 18221 8421 1 16 . 1 1 98 98 PHE C C 89 176.367 176.367 173.650 2.717 18221 8422 1 16 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.489 -1.589 18221 8423 1 16 . 1 1 98 98 PHE CB C 89 38.832 38.832 41.382 -2.550 18221 8424 1 16 . 1 1 98 98 PHE H H 89 8.000 8.000 8.323 -0.323 18221 8425 1 16 . 1 1 99 99 ALA N N 90 122.834 122.834 122.280 0.554 18221 8426 1 16 . 1 1 99 99 ALA C C 90 178.348 178.348 175.991 2.357 18221 8427 1 16 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.968 3.309 18221 8428 1 16 . 1 1 99 99 ALA CB C 90 17.414 17.414 18.363 -0.949 18221 8429 1 16 . 1 1 99 99 ALA H H 90 8.322 8.322 8.003 0.319 18221 8430 1 16 . 1 1 100 100 GLY N N 91 106.688 106.688 109.199 -2.511 18221 8431 1 16 . 1 1 100 100 GLY C C 91 175.878 175.878 173.403 2.475 18221 8432 1 16 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.127 0.499 18221 8433 1 16 . 1 1 100 100 GLY H H 91 8.000 8.000 8.130 -0.130 18221 8434 1 16 . 1 1 101 101 THR N N 92 115.689 115.689 116.724 -1.035 18221 8435 1 16 . 1 1 101 101 THR C C 92 178.476 178.476 173.117 5.359 18221 8436 1 16 . 1 1 101 101 THR CA C 92 63.364 63.364 63.713 -0.349 18221 8437 1 16 . 1 1 101 101 THR CB C 92 69.619 69.619 69.008 0.611 18221 8438 1 16 . 1 1 101 101 THR H H 92 7.754 7.754 8.270 -0.516 18221 8439 1 16 . 1 1 102 102 ALA N N 93 124.835 124.835 128.940 -4.105 18221 8440 1 16 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.649 2.662 18221 8441 1 16 . 1 1 102 102 ALA CB C 93 17.679 17.679 20.767 -3.088 18221 8442 1 16 . 1 1 102 102 ALA H H 93 7.919 7.919 8.085 -0.166 18221 8443 1 16 . 1 1 103 103 LEU N N 94 117.445 117.445 119.248 -1.803 18221 8444 1 16 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.164 1.618 18221 8445 1 16 . 1 1 103 103 LEU CB C 94 40.902 40.902 40.684 0.218 18221 8446 1 16 . 1 1 103 103 LEU H H 94 8.037 8.037 8.231 -0.194 18221 8447 1 16 . 1 1 104 104 GLY N N 95 106.296 106.296 107.223 -0.927 18221 8448 1 16 . 1 1 104 104 GLY C C 95 175.851 175.851 173.387 2.464 18221 8449 1 16 . 1 1 104 104 GLY CA C 95 46.570 46.570 43.866 2.704 18221 8450 1 16 . 1 1 104 104 GLY H H 95 7.900 7.900 7.687 0.213 18221 8451 1 16 . 1 1 105 105 ALA N N 96 123.872 123.872 124.113 -0.241 18221 8452 1 16 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.309 1.817 18221 8453 1 16 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.249 -1.662 18221 8454 1 16 . 1 1 105 105 ALA H H 96 7.804 7.804 8.225 -0.421 18221 8455 1 16 . 1 1 106 106 TRP N N 97 120.348 120.348 125.155 -4.807 18221 8456 1 16 . 1 1 106 106 TRP C C 97 176.857 176.857 175.741 1.116 18221 8457 1 16 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.410 0.491 18221 8458 1 16 . 1 1 106 106 TRP H H 97 8.385 8.385 8.637 -0.252 18221 8459 1 16 . 1 1 107 107 LEU N N 98 117.756 117.756 126.066 -8.310 18221 8460 1 16 . 1 1 107 107 LEU C C 98 177.659 177.659 177.652 0.007 18221 8461 1 16 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.781 -0.678 18221 8462 1 16 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.654 -1.236 18221 8463 1 16 . 1 1 107 107 LEU H H 98 7.880 7.880 8.185 -0.305 18221 8464 1 16 . 1 1 108 108 GLY N N 99 107.285 107.285 109.415 -2.130 18221 8465 1 16 . 1 1 108 108 GLY C C 99 173.815 173.815 174.847 -1.032 18221 8466 1 16 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.496 -0.549 18221 8467 1 16 . 1 1 108 108 GLY H H 99 7.694 7.694 8.234 -0.540 18221 8468 1 16 . 1 1 109 109 SER N N 100 117.139 117.139 117.247 -0.108 18221 8469 1 16 . 1 1 109 109 SER C C 100 172.179 172.179 173.059 -0.880 18221 8470 1 16 . 1 1 109 109 SER CA C 100 56.015 56.015 56.546 -0.531 18221 8471 1 16 . 1 1 109 109 SER CB C 100 62.771 62.771 64.240 -1.469 18221 8472 1 16 . 1 1 109 109 SER H H 100 8.030 8.030 8.327 -0.297 18221 8473 1 16 . 1 1 111 111 PRO C C 102 177.073 177.073 176.602 0.471 18221 8474 1 16 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.225 -1.026 18221 8475 1 16 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.564 -0.353 18221 8476 1 16 . 1 1 112 112 SER N N 103 117.115 117.115 118.012 -0.897 18221 8477 1 16 . 1 1 112 112 SER C C 103 173.898 173.898 174.224 -0.326 18221 8478 1 16 . 1 1 112 112 SER CA C 103 57.904 57.904 58.818 -0.914 18221 8479 1 16 . 1 1 112 112 SER CB C 103 63.360 63.360 63.056 0.304 18221 8480 1 16 . 1 1 112 112 SER H H 103 8.345 8.345 8.558 -0.213 18221 8481 1 17 . 1 1 11 11 GLY N N 2 109.366 109.366 111.932 -2.566 18221 8482 1 17 . 1 1 11 11 GLY C C 2 174.543 174.543 174.577 -0.034 18221 8483 1 17 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.630 0.065 18221 8484 1 17 . 1 1 11 11 GLY H H 2 8.271 8.271 8.322 -0.051 18221 8485 1 17 . 1 1 12 12 LYS N N 3 121.129 121.129 120.505 0.624 18221 8486 1 17 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.506 -0.374 18221 8487 1 17 . 1 1 12 12 LYS C C 3 177.234 177.234 177.392 -0.158 18221 8488 1 17 . 1 1 12 12 LYS CA C 3 56.812 56.812 57.890 -1.078 18221 8489 1 17 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.050 -1.204 18221 8490 1 17 . 1 1 12 12 LYS H H 3 8.057 8.057 8.406 -0.349 18221 8491 1 17 . 1 1 13 13 GLU N N 4 120.318 120.318 116.841 3.477 18221 8492 1 17 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.445 -0.290 18221 8493 1 17 . 1 1 13 13 GLU C C 4 176.857 176.857 177.181 -0.324 18221 8494 1 17 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.792 0.079 18221 8495 1 17 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.872 -2.484 18221 8496 1 17 . 1 1 13 13 GLU H H 4 8.398 8.398 8.367 0.031 18221 8497 1 17 . 1 1 14 14 SER N N 5 115.504 115.504 114.880 0.624 18221 8498 1 17 . 1 1 14 14 SER HA H 5 3.843 3.843 4.636 -0.793 18221 8499 1 17 . 1 1 14 14 SER C C 5 175.337 175.337 174.068 1.269 18221 8500 1 17 . 1 1 14 14 SER CA C 5 58.524 58.524 58.643 -0.119 18221 8501 1 17 . 1 1 14 14 SER CB C 5 63.360 63.360 65.230 -1.870 18221 8502 1 17 . 1 1 14 14 SER H H 5 8.089 8.089 8.274 -0.185 18221 8503 1 17 . 1 1 15 15 GLY N N 6 110.761 110.761 109.515 1.246 18221 8504 1 17 . 1 1 15 15 GLY C C 6 174.581 174.581 173.742 0.839 18221 8505 1 17 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.693 0.873 18221 8506 1 17 . 1 1 15 15 GLY H H 6 8.197 8.197 7.809 0.388 18221 8507 1 17 . 1 1 16 16 TRP N N 7 121.800 121.800 125.606 -3.806 18221 8508 1 17 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.984 -0.424 18221 8509 1 17 . 1 1 16 16 TRP C C 7 176.920 176.920 175.231 1.689 18221 8510 1 17 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.110 1.971 18221 8511 1 17 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.025 -0.346 18221 8512 1 17 . 1 1 16 16 TRP H H 7 8.184 8.184 8.546 -0.362 18221 8513 1 17 . 1 1 17 17 ASP N N 8 121.132 121.132 121.033 0.099 18221 8514 1 17 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.612 -0.217 18221 8515 1 17 . 1 1 17 17 ASP C C 8 176.941 176.941 174.731 2.210 18221 8516 1 17 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.401 1.843 18221 8517 1 17 . 1 1 17 17 ASP CB C 8 39.945 39.945 42.585 -2.640 18221 8518 1 17 . 1 1 17 17 ASP H H 8 8.332 8.332 7.869 0.463 18221 8519 1 17 . 1 1 18 18 SER N N 9 116.148 116.148 118.096 -1.948 18221 8520 1 17 . 1 1 18 18 SER HA H 9 3.861 3.861 4.642 -0.781 18221 8521 1 17 . 1 1 18 18 SER CA C 9 60.081 60.081 58.110 1.971 18221 8522 1 17 . 1 1 18 18 SER CB C 9 62.255 62.255 64.902 -2.647 18221 8523 1 17 . 1 1 18 18 SER H H 9 8.129 8.129 8.261 -0.132 18221 8524 1 17 . 1 1 19 19 GLY N N 10 110.747 110.747 111.790 -1.043 18221 8525 1 17 . 1 1 19 19 GLY C C 10 174.682 174.682 175.228 -0.546 18221 8526 1 17 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.520 2.079 18221 8527 1 17 . 1 1 19 19 GLY H H 10 8.216 8.216 8.326 -0.110 18221 8528 1 17 . 1 1 20 20 ARG N N 11 121.405 121.405 119.498 1.907 18221 8529 1 17 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.991 -0.134 18221 8530 1 17 . 1 1 20 20 ARG C C 11 178.328 178.328 179.170 -0.842 18221 8531 1 17 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.815 0.270 18221 8532 1 17 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.181 -1.134 18221 8533 1 17 . 1 1 20 20 ARG H H 11 8.158 8.158 8.526 -0.368 18221 8534 1 17 . 1 1 21 21 ALA N N 12 122.167 122.167 122.709 -0.542 18221 8535 1 17 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.057 0.043 18221 8536 1 17 . 1 1 21 21 ALA C C 12 180.129 180.129 179.460 0.669 18221 8537 1 17 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.767 -0.375 18221 8538 1 17 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.962 -0.548 18221 8539 1 17 . 1 1 21 21 ALA H H 12 7.963 7.963 8.295 -0.332 18221 8540 1 17 . 1 1 22 22 ALA N N 13 122.150 122.150 121.493 0.657 18221 8541 1 17 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.995 0.042 18221 8542 1 17 . 1 1 22 22 ALA C C 13 179.095 179.095 180.012 -0.917 18221 8543 1 17 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.821 -0.105 18221 8544 1 17 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.983 -0.422 18221 8545 1 17 . 1 1 22 22 ALA H H 13 7.881 7.881 8.326 -0.445 18221 8546 1 17 . 1 1 23 23 VAL N N 14 117.107 117.107 119.156 -2.049 18221 8547 1 17 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.493 -0.013 18221 8548 1 17 . 1 1 23 23 VAL C C 14 177.586 177.586 177.903 -0.317 18221 8549 1 17 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.571 -0.373 18221 8550 1 17 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.523 -1.003 18221 8551 1 17 . 1 1 23 23 VAL H H 14 7.888 7.888 8.001 -0.113 18221 8552 1 17 . 1 1 24 24 ALA N N 15 121.333 121.333 121.492 -0.159 18221 8553 1 17 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.934 0.047 18221 8554 1 17 . 1 1 24 24 ALA C C 15 180.373 180.373 179.287 1.086 18221 8555 1 17 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.133 -0.122 18221 8556 1 17 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.741 -0.489 18221 8557 1 17 . 1 1 24 24 ALA H H 15 8.037 8.037 7.680 0.357 18221 8558 1 17 . 1 1 25 25 ALA N N 16 121.158 121.158 120.418 0.740 18221 8559 1 17 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.152 -0.006 18221 8560 1 17 . 1 1 25 25 ALA C C 16 179.828 179.828 179.067 0.761 18221 8561 1 17 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.710 -0.259 18221 8562 1 17 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.321 -0.834 18221 8563 1 17 . 1 1 25 25 ALA H H 16 7.819 7.819 7.782 0.037 18221 8564 1 17 . 1 1 26 26 VAL N N 17 118.417 118.417 115.844 2.573 18221 8565 1 17 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.890 -0.112 18221 8566 1 17 . 1 1 26 26 VAL C C 17 178.020 178.020 176.717 1.303 18221 8567 1 17 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.964 1.614 18221 8568 1 17 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.823 -0.738 18221 8569 1 17 . 1 1 26 26 VAL H H 17 7.848 7.848 7.693 0.155 18221 8570 1 17 . 1 1 27 27 VAL N N 18 119.240 119.240 118.747 0.493 18221 8571 1 17 . 1 1 27 27 VAL C C 18 177.719 177.719 176.667 1.052 18221 8572 1 17 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.253 1.738 18221 8573 1 17 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.522 -2.335 18221 8574 1 17 . 1 1 27 27 VAL H H 18 8.377 8.377 7.379 0.998 18221 8575 1 17 . 1 1 28 28 GLY N N 19 106.009 106.009 106.388 -0.379 18221 8576 1 17 . 1 1 28 28 GLY C C 19 176.212 176.212 174.333 1.879 18221 8577 1 17 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.538 -0.294 18221 8578 1 17 . 1 1 28 28 GLY H H 19 8.122 8.122 8.066 0.056 18221 8579 1 17 . 1 1 29 29 GLY N N 20 110.216 110.216 111.412 -1.196 18221 8580 1 17 . 1 1 29 29 GLY C C 20 174.097 174.097 175.584 -1.487 18221 8581 1 17 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.966 1.368 18221 8582 1 17 . 1 1 29 29 GLY H H 20 8.039 8.039 8.280 -0.241 18221 8583 1 17 . 1 1 30 30 VAL N N 21 121.188 121.188 118.862 2.326 18221 8584 1 17 . 1 1 30 30 VAL C C 21 177.073 177.073 177.565 -0.492 18221 8585 1 17 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.583 -3.009 18221 8586 1 17 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.477 -0.687 18221 8587 1 17 . 1 1 30 30 VAL H H 21 7.983 7.983 7.682 0.301 18221 8588 1 17 . 1 1 32 32 ALA N N 23 125.091 125.091 122.810 2.281 18221 8589 1 17 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.041 0.219 18221 8590 1 17 . 1 1 32 32 ALA C C 23 179.523 179.523 179.800 -0.277 18221 8591 1 17 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.121 -1.438 18221 8592 1 17 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.998 -1.615 18221 8593 1 17 . 1 1 32 32 ALA H H 23 8.036 8.036 7.434 0.602 18221 8594 1 17 . 1 1 33 33 VAL N N 24 118.793 118.793 117.864 0.929 18221 8595 1 17 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.744 -0.036 18221 8596 1 17 . 1 1 33 33 VAL C C 24 177.901 177.901 178.456 -0.555 18221 8597 1 17 . 1 1 33 33 VAL CA C 24 65.430 65.430 64.689 0.742 18221 8598 1 17 . 1 1 33 33 VAL CB C 24 31.318 31.318 30.740 0.578 18221 8599 1 17 . 1 1 33 33 VAL H H 24 8.195 8.195 8.069 0.126 18221 8600 1 17 . 1 1 34 34 GLY N N 25 108.367 108.367 108.696 -0.329 18221 8601 1 17 . 1 1 34 34 GLY C C 25 175.424 175.424 175.792 -0.368 18221 8602 1 17 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.690 -0.356 18221 8603 1 17 . 1 1 34 34 GLY H H 25 8.651 8.651 8.353 0.298 18221 8604 1 17 . 1 1 35 35 THR N N 26 116.448 116.448 119.091 -2.643 18221 8605 1 17 . 1 1 35 35 THR C C 26 176.843 176.843 176.991 -0.148 18221 8606 1 17 . 1 1 35 35 THR CA C 26 65.962 65.962 67.574 -1.612 18221 8607 1 17 . 1 1 35 35 THR CB C 26 68.414 68.414 68.686 -0.272 18221 8608 1 17 . 1 1 35 35 THR H H 26 7.975 7.975 8.327 -0.352 18221 8609 1 17 . 1 1 36 36 VAL N N 27 122.810 122.810 121.165 1.645 18221 8610 1 17 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.654 0.065 18221 8611 1 17 . 1 1 36 36 VAL C C 27 177.618 177.618 177.505 0.113 18221 8612 1 17 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.935 -1.209 18221 8613 1 17 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.423 -0.756 18221 8614 1 17 . 1 1 36 36 VAL H H 27 7.559 7.559 8.065 -0.506 18221 8615 1 17 . 1 1 37 37 LEU N N 28 119.566 119.566 121.180 -1.614 18221 8616 1 17 . 1 1 37 37 LEU HA H 28 3.953 3.953 4.016 -0.063 18221 8617 1 17 . 1 1 37 37 LEU C C 28 179.666 179.666 178.891 0.775 18221 8618 1 17 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.567 -0.722 18221 8619 1 17 . 1 1 37 37 LEU CB C 28 40.166 40.166 42.067 -1.901 18221 8620 1 17 . 1 1 37 37 LEU H H 28 8.086 8.086 7.739 0.347 18221 8621 1 17 . 1 1 38 38 VAL N N 29 119.468 119.468 119.013 0.455 18221 8622 1 17 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.578 0.075 18221 8623 1 17 . 1 1 38 38 VAL C C 29 178.639 178.639 177.571 1.068 18221 8624 1 17 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.041 -0.568 18221 8625 1 17 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.673 -1.064 18221 8626 1 17 . 1 1 38 38 VAL H H 29 8.066 8.066 8.487 -0.421 18221 8627 1 17 . 1 1 39 39 ALA N N 30 124.255 124.255 122.228 2.027 18221 8628 1 17 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.116 0.049 18221 8629 1 17 . 1 1 39 39 ALA C C 30 180.303 180.303 179.438 0.865 18221 8630 1 17 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.661 0.173 18221 8631 1 17 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.441 -0.733 18221 8632 1 17 . 1 1 39 39 ALA H H 30 7.688 7.688 7.612 0.076 18221 8633 1 17 . 1 1 40 40 LEU N N 31 118.268 118.268 118.555 -0.287 18221 8634 1 17 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.015 0.126 18221 8635 1 17 . 1 1 40 40 LEU C C 31 179.271 179.271 178.171 1.100 18221 8636 1 17 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.324 -0.246 18221 8637 1 17 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.288 -1.386 18221 8638 1 17 . 1 1 40 40 LEU H H 31 8.326 8.326 7.923 0.403 18221 8639 1 17 . 1 1 41 41 SER N N 32 114.984 114.984 112.347 2.637 18221 8640 1 17 . 1 1 41 41 SER HA H 32 3.952 3.952 4.263 -0.311 18221 8641 1 17 . 1 1 41 41 SER C C 32 176.284 176.284 175.213 1.071 18221 8642 1 17 . 1 1 41 41 SER CA C 32 60.885 60.885 59.852 1.033 18221 8643 1 17 . 1 1 41 41 SER CB C 32 62.410 62.410 63.722 -1.312 18221 8644 1 17 . 1 1 41 41 SER H H 32 8.062 8.062 7.996 0.066 18221 8645 1 17 . 1 1 42 42 ALA N N 33 124.588 124.588 123.873 0.715 18221 8646 1 17 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.071 0.154 18221 8647 1 17 . 1 1 42 42 ALA C C 33 179.033 179.033 178.048 0.985 18221 8648 1 17 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.770 0.943 18221 8649 1 17 . 1 1 42 42 ALA CB C 33 17.929 17.929 19.087 -1.158 18221 8650 1 17 . 1 1 42 42 ALA H H 33 7.813 7.813 7.548 0.265 18221 8651 1 17 . 1 1 43 43 MET N N 34 116.808 116.808 115.360 1.448 18221 8652 1 17 . 1 1 43 43 MET HA H 34 4.285 4.285 4.261 0.024 18221 8653 1 17 . 1 1 43 43 MET C C 34 176.807 176.807 175.727 1.080 18221 8654 1 17 . 1 1 43 43 MET CA C 34 56.576 56.576 56.220 0.356 18221 8655 1 17 . 1 1 43 43 MET CB C 34 32.435 32.435 31.631 0.804 18221 8656 1 17 . 1 1 43 43 MET H H 34 7.691 7.691 8.502 -0.811 18221 8657 1 17 . 1 1 44 44 GLY N N 35 107.020 107.020 105.401 1.619 18221 8658 1 17 . 1 1 44 44 GLY C C 35 174.493 174.493 174.337 0.156 18221 8659 1 17 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.256 -0.191 18221 8660 1 17 . 1 1 44 44 GLY H H 35 7.793 7.793 8.136 -0.343 18221 8661 1 17 . 1 1 45 45 PHE N N 36 120.285 120.285 119.661 0.624 18221 8662 1 17 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.133 0.374 18221 8663 1 17 . 1 1 45 45 PHE C C 36 176.876 176.876 174.290 2.586 18221 8664 1 17 . 1 1 45 45 PHE CA C 36 58.937 58.937 58.978 -0.041 18221 8665 1 17 . 1 1 45 45 PHE CB C 36 38.178 38.178 37.747 0.431 18221 8666 1 17 . 1 1 45 45 PHE H H 36 8.215 8.215 8.421 -0.206 18221 8667 1 17 . 1 1 46 46 THR N N 37 114.008 114.008 115.172 -1.164 18221 8668 1 17 . 1 1 46 46 THR HA H 37 4.080 4.080 4.689 -0.609 18221 8669 1 17 . 1 1 46 46 THR C C 37 175.751 175.751 173.533 2.218 18221 8670 1 17 . 1 1 46 46 THR CA C 37 64.220 64.220 61.607 2.613 18221 8671 1 17 . 1 1 46 46 THR CB C 37 68.514 68.514 69.681 -1.167 18221 8672 1 17 . 1 1 46 46 THR H H 37 8.111 8.111 8.189 -0.078 18221 8673 1 17 . 1 1 47 47 SER N N 38 116.646 116.646 122.667 -6.021 18221 8674 1 17 . 1 1 47 47 SER HA H 38 3.918 3.918 4.481 -0.563 18221 8675 1 17 . 1 1 47 47 SER C C 38 176.744 176.744 174.888 1.856 18221 8676 1 17 . 1 1 47 47 SER CA C 38 59.911 59.911 58.838 1.073 18221 8677 1 17 . 1 1 47 47 SER CB C 38 62.624 62.624 63.407 -0.783 18221 8678 1 17 . 1 1 47 47 SER H H 38 8.079 8.079 8.227 -0.148 18221 8679 1 17 . 1 1 48 48 VAL N N 39 121.929 121.929 119.772 2.157 18221 8680 1 17 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.702 0.207 18221 8681 1 17 . 1 1 48 48 VAL C C 39 177.033 177.033 177.919 -0.886 18221 8682 1 17 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.815 -0.827 18221 8683 1 17 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.062 -0.395 18221 8684 1 17 . 1 1 48 48 VAL H H 39 7.985 7.985 7.848 0.137 18221 8685 1 17 . 1 1 49 49 GLY N N 40 108.633 108.633 108.309 0.324 18221 8686 1 17 . 1 1 49 49 GLY C C 40 176.038 176.038 176.407 -0.369 18221 8687 1 17 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.316 -0.451 18221 8688 1 17 . 1 1 49 49 GLY H H 40 8.267 8.267 8.325 -0.058 18221 8689 1 17 . 1 1 50 50 ILE N N 41 122.466 122.466 123.028 -0.562 18221 8690 1 17 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.675 0.196 18221 8691 1 17 . 1 1 50 50 ILE C C 41 178.363 178.363 178.061 0.302 18221 8692 1 17 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.660 -0.145 18221 8693 1 17 . 1 1 50 50 ILE CB C 41 37.238 37.238 36.953 0.285 18221 8694 1 17 . 1 1 50 50 ILE H H 41 7.865 7.865 7.848 0.017 18221 8695 1 17 . 1 1 51 51 ALA N N 42 125.064 125.064 121.726 3.338 18221 8696 1 17 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.918 0.181 18221 8697 1 17 . 1 1 51 51 ALA C C 42 179.385 179.385 179.383 0.002 18221 8698 1 17 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.420 -0.940 18221 8699 1 17 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.957 -0.470 18221 8700 1 17 . 1 1 51 51 ALA H H 42 7.930 7.930 8.599 -0.669 18221 8701 1 17 . 1 1 52 52 ALA N N 43 120.594 120.594 120.037 0.557 18221 8702 1 17 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.002 -0.065 18221 8703 1 17 . 1 1 52 52 ALA C C 43 179.088 179.088 180.097 -1.009 18221 8704 1 17 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.850 0.250 18221 8705 1 17 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.909 -0.274 18221 8706 1 17 . 1 1 52 52 ALA H H 43 8.639 8.639 8.117 0.522 18221 8707 1 17 . 1 1 53 53 SER N N 44 113.012 113.012 114.317 -1.305 18221 8708 1 17 . 1 1 53 53 SER HA H 44 3.966 3.966 4.236 -0.270 18221 8709 1 17 . 1 1 53 53 SER C C 44 176.898 176.898 176.901 -0.003 18221 8710 1 17 . 1 1 53 53 SER CA C 44 61.139 61.139 61.340 -0.201 18221 8711 1 17 . 1 1 53 53 SER CB C 44 62.347 62.347 63.079 -0.732 18221 8712 1 17 . 1 1 53 53 SER H H 44 8.193 8.193 8.336 -0.143 18221 8713 1 17 . 1 1 54 54 SER N N 45 118.714 118.714 118.399 0.315 18221 8714 1 17 . 1 1 54 54 SER HA H 45 3.975 3.975 4.241 -0.266 18221 8715 1 17 . 1 1 54 54 SER C C 45 177.131 177.131 176.498 0.633 18221 8716 1 17 . 1 1 54 54 SER CA C 45 61.210 61.210 62.151 -0.941 18221 8717 1 17 . 1 1 54 54 SER CB C 45 62.255 62.255 63.043 -0.788 18221 8718 1 17 . 1 1 54 54 SER H H 45 7.944 7.944 8.207 -0.263 18221 8719 1 17 . 1 1 55 55 ILE N N 46 122.912 122.912 118.727 4.185 18221 8720 1 17 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.939 -0.182 18221 8721 1 17 . 1 1 55 55 ILE C C 46 177.813 177.813 177.263 0.550 18221 8722 1 17 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.066 0.125 18221 8723 1 17 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.479 -0.553 18221 8724 1 17 . 1 1 55 55 ILE H H 46 8.028 8.028 8.429 -0.401 18221 8725 1 17 . 1 1 56 56 ALA N N 47 122.990 122.990 122.955 0.035 18221 8726 1 17 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.022 -0.066 18221 8727 1 17 . 1 1 56 56 ALA C C 47 180.294 180.294 178.828 1.466 18221 8728 1 17 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.222 0.116 18221 8729 1 17 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.673 -0.971 18221 8730 1 17 . 1 1 56 56 ALA H H 47 8.333 8.333 7.881 0.452 18221 8731 1 17 . 1 1 57 57 ALA N N 48 121.988 121.988 121.181 0.807 18221 8732 1 17 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.208 -0.140 18221 8733 1 17 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.611 1.810 18221 8734 1 17 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.663 -1.961 18221 8735 1 17 . 1 1 57 57 ALA H H 48 7.879 7.879 7.704 0.175 18221 8736 1 17 . 1 1 58 58 LYS N N 49 119.094 119.094 117.649 1.445 18221 8737 1 17 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.043 0.103 18221 8738 1 17 . 1 1 58 58 LYS C C 49 179.649 179.649 175.678 3.971 18221 8739 1 17 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.097 0.060 18221 8740 1 17 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.250 1.080 18221 8741 1 17 . 1 1 58 58 LYS H H 49 7.727 7.727 8.219 -0.492 18221 8742 1 17 . 1 1 59 59 MET N N 50 120.498 120.498 120.321 0.177 18221 8743 1 17 . 1 1 59 59 MET HA H 50 4.156 4.156 4.525 -0.369 18221 8744 1 17 . 1 1 59 59 MET C C 50 177.949 177.949 177.094 0.855 18221 8745 1 17 . 1 1 59 59 MET CA C 50 57.136 57.136 55.255 1.881 18221 8746 1 17 . 1 1 59 59 MET CB C 50 31.922 31.922 33.491 -1.569 18221 8747 1 17 . 1 1 59 59 MET H H 50 8.395 8.395 8.333 0.062 18221 8748 1 17 . 1 1 60 60 MET N N 51 117.689 117.689 121.268 -3.579 18221 8749 1 17 . 1 1 60 60 MET HA H 51 4.222 4.222 4.631 -0.409 18221 8750 1 17 . 1 1 60 60 MET C C 51 177.674 177.674 176.550 1.124 18221 8751 1 17 . 1 1 60 60 MET CA C 51 57.638 57.638 57.134 0.504 18221 8752 1 17 . 1 1 60 60 MET CB C 51 31.785 31.785 33.741 -1.956 18221 8753 1 17 . 1 1 60 60 MET H H 51 8.234 8.234 8.581 -0.347 18221 8754 1 17 . 1 1 61 61 SER N N 52 114.385 114.385 113.646 0.739 18221 8755 1 17 . 1 1 61 61 SER HA H 52 4.001 4.001 4.784 -0.783 18221 8756 1 17 . 1 1 61 61 SER C C 52 176.079 176.079 173.438 2.641 18221 8757 1 17 . 1 1 61 61 SER CA C 52 59.911 59.911 57.806 2.105 18221 8758 1 17 . 1 1 61 61 SER CB C 52 62.624 62.624 64.677 -2.053 18221 8759 1 17 . 1 1 61 61 SER H H 52 7.893 7.893 7.928 -0.035 18221 8760 1 17 . 1 1 62 62 THR N N 53 117.304 117.304 117.887 -0.583 18221 8761 1 17 . 1 1 62 62 THR HA H 53 4.104 4.104 4.375 -0.271 18221 8762 1 17 . 1 1 62 62 THR C C 53 175.436 175.436 173.644 1.792 18221 8763 1 17 . 1 1 62 62 THR CA C 53 64.220 64.220 62.260 1.960 18221 8764 1 17 . 1 1 62 62 THR CB C 53 68.514 68.514 69.494 -0.980 18221 8765 1 17 . 1 1 62 62 THR H H 53 7.794 7.794 8.349 -0.555 18221 8766 1 17 . 1 1 63 63 ALA N N 54 125.382 125.382 125.798 -0.416 18221 8767 1 17 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.139 -0.045 18221 8768 1 17 . 1 1 63 63 ALA C C 54 178.328 178.328 176.678 1.650 18221 8769 1 17 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.128 1.968 18221 8770 1 17 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.678 -0.970 18221 8771 1 17 . 1 1 63 63 ALA H H 54 8.204 8.204 8.058 0.146 18221 8772 1 17 . 1 1 64 64 ALA N N 55 119.929 119.929 125.565 -5.636 18221 8773 1 17 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.414 -0.289 18221 8774 1 17 . 1 1 64 64 ALA C C 55 179.183 179.183 178.107 1.076 18221 8775 1 17 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.708 2.329 18221 8776 1 17 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.627 -1.919 18221 8777 1 17 . 1 1 64 64 ALA H H 55 7.951 7.951 8.176 -0.225 18221 8778 1 17 . 1 1 65 65 ILE N N 56 117.016 117.016 117.437 -0.421 18221 8779 1 17 . 1 1 65 65 ILE HA H 56 3.950 3.950 3.708 0.242 18221 8780 1 17 . 1 1 65 65 ILE C C 56 177.222 177.222 175.159 2.063 18221 8781 1 17 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.431 -0.247 18221 8782 1 17 . 1 1 65 65 ILE CB C 56 37.073 37.073 38.699 -1.626 18221 8783 1 17 . 1 1 65 65 ILE H H 56 7.561 7.561 8.205 -0.644 18221 8784 1 17 . 1 1 66 66 ALA N N 57 124.191 124.191 122.355 1.836 18221 8785 1 17 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.352 -0.175 18221 8786 1 17 . 1 1 66 66 ALA C C 57 178.190 178.190 176.565 1.625 18221 8787 1 17 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.336 1.200 18221 8788 1 17 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.722 -1.793 18221 8789 1 17 . 1 1 66 66 ALA H H 57 7.982 7.982 8.283 -0.301 18221 8790 1 17 . 1 1 67 67 ASN N N 58 116.132 116.132 118.088 -1.956 18221 8791 1 17 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.490 0.183 18221 8792 1 17 . 1 1 67 67 ASN C C 58 176.344 176.344 177.014 -0.670 18221 8793 1 17 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.782 -0.305 18221 8794 1 17 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.688 -0.216 18221 8795 1 17 . 1 1 67 67 ASN H H 58 8.113 8.113 8.192 -0.079 18221 8796 1 17 . 1 1 68 68 GLY N N 59 108.808 108.808 111.462 -2.654 18221 8797 1 17 . 1 1 68 68 GLY C C 59 174.958 174.958 174.057 0.901 18221 8798 1 17 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.770 0.885 18221 8799 1 17 . 1 1 68 68 GLY H H 59 8.152 8.152 8.798 -0.646 18221 8800 1 17 . 1 1 69 69 GLY N N 60 108.832 108.832 110.338 -1.506 18221 8801 1 17 . 1 1 69 69 GLY C C 60 174.631 174.631 174.152 0.479 18221 8802 1 17 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.219 1.200 18221 8803 1 17 . 1 1 69 69 GLY H H 60 8.218 8.218 7.708 0.510 18221 8804 1 17 . 1 1 70 70 GLY N N 61 108.966 108.966 107.587 1.379 18221 8805 1 17 . 1 1 70 70 GLY C C 61 174.594 174.594 174.386 0.208 18221 8806 1 17 . 1 1 70 70 GLY CA C 61 45.360 45.360 45.214 0.146 18221 8807 1 17 . 1 1 70 70 GLY H H 61 8.175 8.175 7.985 0.190 18221 8808 1 17 . 1 1 71 71 VAL N N 62 120.209 120.209 123.273 -3.064 18221 8809 1 17 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.135 -0.129 18221 8810 1 17 . 1 1 71 71 VAL C C 62 176.077 176.077 175.995 0.082 18221 8811 1 17 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.483 -0.093 18221 8812 1 17 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.872 -0.174 18221 8813 1 17 . 1 1 71 71 VAL H H 62 7.882 7.882 8.467 -0.585 18221 8814 1 17 . 1 1 72 72 ALA N N 63 126.966 126.966 127.575 -0.609 18221 8815 1 17 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.090 -0.064 18221 8816 1 17 . 1 1 72 72 ALA C C 63 178.064 178.064 176.182 1.882 18221 8817 1 17 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.313 -0.810 18221 8818 1 17 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.369 -0.144 18221 8819 1 17 . 1 1 72 72 ALA H H 63 8.237 8.237 8.425 -0.188 18221 8820 1 17 . 1 1 73 73 ALA N N 64 123.432 123.432 119.799 3.633 18221 8821 1 17 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.624 -0.609 18221 8822 1 17 . 1 1 73 73 ALA C C 64 178.995 178.995 175.896 3.099 18221 8823 1 17 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.857 2.564 18221 8824 1 17 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.671 -1.668 18221 8825 1 17 . 1 1 73 73 ALA H H 64 8.421 8.421 7.889 0.532 18221 8826 1 17 . 1 1 74 74 GLY N N 65 105.577 105.577 107.332 -1.755 18221 8827 1 17 . 1 1 74 74 GLY C C 65 176.367 176.367 175.900 0.467 18221 8828 1 17 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.659 0.585 18221 8829 1 17 . 1 1 74 74 GLY H H 65 8.448 8.448 8.400 0.048 18221 8830 1 17 . 1 1 75 75 SER N N 66 117.656 117.656 117.232 0.424 18221 8831 1 17 . 1 1 75 75 SER HA H 66 4.394 4.394 4.297 0.097 18221 8832 1 17 . 1 1 75 75 SER C C 66 176.329 176.329 176.805 -0.476 18221 8833 1 17 . 1 1 75 75 SER CA C 66 60.236 60.236 60.242 -0.006 18221 8834 1 17 . 1 1 75 75 SER CB C 66 62.476 62.476 62.794 -0.318 18221 8835 1 17 . 1 1 75 75 SER H H 66 7.899 7.899 8.095 -0.196 18221 8836 1 17 . 1 1 76 76 LEU N N 67 122.743 122.743 121.730 1.013 18221 8837 1 17 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.007 0.043 18221 8838 1 17 . 1 1 76 76 LEU C C 67 178.442 178.442 178.048 0.394 18221 8839 1 17 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.773 -0.252 18221 8840 1 17 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.849 -1.168 18221 8841 1 17 . 1 1 76 76 LEU H H 67 7.955 7.955 8.184 -0.229 18221 8842 1 17 . 1 1 77 77 VAL N N 68 118.400 118.400 118.074 0.326 18221 8843 1 17 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.481 -0.010 18221 8844 1 17 . 1 1 77 77 VAL C C 68 177.297 177.297 177.660 -0.363 18221 8845 1 17 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.439 0.231 18221 8846 1 17 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.875 -0.354 18221 8847 1 17 . 1 1 77 77 VAL H H 68 8.039 8.039 8.023 0.016 18221 8848 1 17 . 1 1 78 78 ALA N N 69 121.927 121.927 122.065 -0.138 18221 8849 1 17 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.047 0.158 18221 8850 1 17 . 1 1 78 78 ALA C C 69 181.258 181.258 179.910 1.348 18221 8851 1 17 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.151 -0.169 18221 8852 1 17 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.998 -0.584 18221 8853 1 17 . 1 1 78 78 ALA H H 69 7.631 7.631 7.945 -0.314 18221 8854 1 17 . 1 1 79 79 ILE N N 70 119.782 119.782 119.556 0.226 18221 8855 1 17 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.655 0.141 18221 8856 1 17 . 1 1 79 79 ILE C C 70 178.253 178.253 177.858 0.395 18221 8857 1 17 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.803 -0.451 18221 8858 1 17 . 1 1 79 79 ILE CB C 70 37.073 37.073 38.059 -0.987 18221 8859 1 17 . 1 1 79 79 ILE H H 70 7.841 7.841 7.428 0.413 18221 8860 1 17 . 1 1 80 80 LEU N N 71 120.841 120.841 120.422 0.419 18221 8861 1 17 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.758 0.179 18221 8862 1 17 . 1 1 80 80 LEU C C 71 179.234 179.234 178.545 0.689 18221 8863 1 17 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.483 -0.638 18221 8864 1 17 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.852 -1.833 18221 8865 1 17 . 1 1 80 80 LEU H H 71 8.190 8.190 8.251 -0.061 18221 8866 1 17 . 1 1 81 81 GLN N N 72 117.558 117.558 118.033 -0.475 18221 8867 1 17 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.869 0.100 18221 8868 1 17 . 1 1 81 81 GLN C C 72 178.530 178.530 178.607 -0.077 18221 8869 1 17 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.537 -0.718 18221 8870 1 17 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.701 -1.421 18221 8871 1 17 . 1 1 81 81 GLN H H 72 8.489 8.489 8.418 0.071 18221 8872 1 17 . 1 1 82 82 SER N N 73 116.103 116.103 115.705 0.398 18221 8873 1 17 . 1 1 82 82 SER HA H 73 4.233 4.233 4.163 0.070 18221 8874 1 17 . 1 1 82 82 SER C C 73 177.243 177.243 176.697 0.546 18221 8875 1 17 . 1 1 82 82 SER CA C 73 61.044 61.044 62.388 -1.344 18221 8876 1 17 . 1 1 82 82 SER CB C 73 62.257 62.257 63.012 -0.755 18221 8877 1 17 . 1 1 82 82 SER H H 73 7.855 7.855 8.153 -0.298 18221 8878 1 17 . 1 1 83 83 VAL N N 74 120.362 120.362 121.338 -0.976 18221 8879 1 17 . 1 1 83 83 VAL C C 74 177.979 177.979 177.637 0.342 18221 8880 1 17 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.109 -1.003 18221 8881 1 17 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.024 -0.283 18221 8882 1 17 . 1 1 83 83 VAL H H 74 8.030 8.030 8.152 -0.122 18221 8883 1 17 . 1 1 84 84 GLY N N 75 108.223 108.223 107.004 1.219 18221 8884 1 17 . 1 1 84 84 GLY C C 75 174.913 174.913 175.551 -0.638 18221 8885 1 17 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.804 -0.028 18221 8886 1 17 . 1 1 84 84 GLY H H 75 8.369 8.369 7.832 0.537 18221 8887 1 17 . 1 1 85 85 ALA N N 76 123.550 123.550 124.435 -0.885 18221 8888 1 17 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.956 0.138 18221 8889 1 17 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.180 -0.582 18221 8890 1 17 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.375 -0.752 18221 8891 1 17 . 1 1 85 85 ALA H H 76 8.115 8.115 8.096 0.019 18221 8892 1 17 . 1 1 86 86 ALA N N 77 120.410 120.410 120.554 -0.144 18221 8893 1 17 . 1 1 86 86 ALA C C 77 178.988 178.988 179.545 -0.557 18221 8894 1 17 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.293 -0.457 18221 8895 1 17 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.172 -0.662 18221 8896 1 17 . 1 1 86 86 ALA H H 77 8.632 8.632 8.493 0.139 18221 8897 1 17 . 1 1 87 87 GLY N N 78 105.706 105.706 107.371 -1.665 18221 8898 1 17 . 1 1 87 87 GLY C C 78 175.939 175.939 176.000 -0.061 18221 8899 1 17 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.783 -0.665 18221 8900 1 17 . 1 1 87 87 GLY H H 78 8.196 8.196 7.904 0.292 18221 8901 1 17 . 1 1 88 88 LEU N N 79 124.128 124.128 121.931 2.197 18221 8902 1 17 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.983 -0.581 18221 8903 1 17 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.053 -1.666 18221 8904 1 17 . 1 1 88 88 LEU H H 79 8.449 8.449 8.384 0.065 18221 8905 1 17 . 1 1 89 89 SER N N 80 116.251 116.251 115.307 0.944 18221 8906 1 17 . 1 1 89 89 SER C C 80 179.153 179.153 176.599 2.554 18221 8907 1 17 . 1 1 89 89 SER CA C 80 61.023 61.023 61.891 -0.868 18221 8908 1 17 . 1 1 89 89 SER CB C 80 62.255 62.255 63.306 -1.051 18221 8909 1 17 . 1 1 89 89 SER H H 80 8.120 8.120 8.214 -0.094 18221 8910 1 17 . 1 1 90 90 VAL N N 81 119.310 119.310 121.520 -2.210 18221 8911 1 17 . 1 1 90 90 VAL C C 81 177.652 177.652 177.499 0.153 18221 8912 1 17 . 1 1 90 90 VAL CA C 81 65.076 65.076 66.010 -0.935 18221 8913 1 17 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.901 -0.571 18221 8914 1 17 . 1 1 90 90 VAL H H 81 7.955 7.955 7.964 -0.009 18221 8915 1 17 . 1 1 91 91 THR N N 82 115.535 115.535 116.196 -0.661 18221 8916 1 17 . 1 1 91 91 THR C C 82 176.571 176.571 176.668 -0.097 18221 8917 1 17 . 1 1 91 91 THR CA C 82 66.434 66.434 66.838 -0.404 18221 8918 1 17 . 1 1 91 91 THR CB C 82 67.742 67.742 68.165 -0.423 18221 8919 1 17 . 1 1 91 91 THR H H 82 7.888 7.888 8.466 -0.578 18221 8920 1 17 . 1 1 92 92 SER N N 83 116.537 116.537 117.976 -1.439 18221 8921 1 17 . 1 1 92 92 SER HA H 83 4.040 4.040 4.021 0.019 18221 8922 1 17 . 1 1 92 92 SER C C 83 176.761 176.761 176.715 0.046 18221 8923 1 17 . 1 1 92 92 SER CA C 83 61.564 61.564 61.765 -0.201 18221 8924 1 17 . 1 1 92 92 SER CB C 83 62.009 62.009 62.688 -0.679 18221 8925 1 17 . 1 1 92 92 SER H H 83 8.212 8.212 8.142 0.070 18221 8926 1 17 . 1 1 93 93 LYS N N 84 122.353 122.353 121.779 0.574 18221 8927 1 17 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.020 0.099 18221 8928 1 17 . 1 1 93 93 LYS C C 84 172.812 172.812 179.371 -6.559 18221 8929 1 17 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.525 -1.090 18221 8930 1 17 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.550 -1.073 18221 8931 1 17 . 1 1 93 93 LYS H H 84 7.642 7.642 8.169 -0.527 18221 8932 1 17 . 1 1 94 94 VAL N N 85 119.348 119.348 116.534 2.814 18221 8933 1 17 . 1 1 94 94 VAL C C 85 177.948 177.948 177.384 0.564 18221 8934 1 17 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.404 -0.015 18221 8935 1 17 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.474 0.372 18221 8936 1 17 . 1 1 94 94 VAL H H 85 8.414 8.414 7.808 0.606 18221 8937 1 17 . 1 1 95 95 ILE N N 86 118.769 118.769 119.191 -0.422 18221 8938 1 17 . 1 1 95 95 ILE C C 86 177.972 177.972 176.154 1.818 18221 8939 1 17 . 1 1 95 95 ILE CA C 86 63.837 63.837 64.032 -0.195 18221 8940 1 17 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.690 -2.058 18221 8941 1 17 . 1 1 95 95 ILE H H 86 8.169 8.169 7.644 0.525 18221 8942 1 17 . 1 1 96 96 GLY N N 87 107.955 107.955 104.885 3.070 18221 8943 1 17 . 1 1 96 96 GLY C C 87 176.571 176.571 174.088 2.483 18221 8944 1 17 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.837 1.674 18221 8945 1 17 . 1 1 96 96 GLY H H 87 8.182 8.182 8.357 -0.175 18221 8946 1 17 . 1 1 97 97 GLY N N 88 109.117 109.117 114.069 -4.952 18221 8947 1 17 . 1 1 97 97 GLY C C 88 175.524 175.524 173.727 1.797 18221 8948 1 17 . 1 1 97 97 GLY CA C 88 45.832 45.832 46.489 -0.657 18221 8949 1 17 . 1 1 97 97 GLY H H 88 7.953 7.953 8.403 -0.450 18221 8950 1 17 . 1 1 98 98 PHE N N 89 121.100 121.100 122.614 -1.514 18221 8951 1 17 . 1 1 98 98 PHE C C 89 176.367 176.367 174.229 2.138 18221 8952 1 17 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.549 -0.649 18221 8953 1 17 . 1 1 98 98 PHE CB C 89 38.832 38.832 40.001 -1.169 18221 8954 1 17 . 1 1 98 98 PHE H H 89 8.000 8.000 8.246 -0.246 18221 8955 1 17 . 1 1 99 99 ALA N N 90 122.834 122.834 122.567 0.267 18221 8956 1 17 . 1 1 99 99 ALA C C 90 178.348 178.348 175.923 2.425 18221 8957 1 17 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.547 2.730 18221 8958 1 17 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.335 -2.921 18221 8959 1 17 . 1 1 99 99 ALA H H 90 8.322 8.322 7.946 0.376 18221 8960 1 17 . 1 1 100 100 GLY N N 91 106.688 106.688 110.552 -3.864 18221 8961 1 17 . 1 1 100 100 GLY C C 91 175.878 175.878 173.757 2.121 18221 8962 1 17 . 1 1 100 100 GLY CA C 91 45.626 45.626 44.692 0.934 18221 8963 1 17 . 1 1 100 100 GLY H H 91 8.000 8.000 7.867 0.133 18221 8964 1 17 . 1 1 101 101 THR N N 92 115.689 115.689 112.068 3.621 18221 8965 1 17 . 1 1 101 101 THR C C 92 178.476 178.476 174.810 3.666 18221 8966 1 17 . 1 1 101 101 THR CA C 92 63.364 63.364 61.635 1.729 18221 8967 1 17 . 1 1 101 101 THR CB C 92 69.619 69.619 69.038 0.581 18221 8968 1 17 . 1 1 101 101 THR H H 92 7.754 7.754 7.945 -0.191 18221 8969 1 17 . 1 1 102 102 ALA N N 93 124.835 124.835 127.721 -2.886 18221 8970 1 17 . 1 1 102 102 ALA CA C 93 54.311 54.311 53.440 0.871 18221 8971 1 17 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.921 -1.242 18221 8972 1 17 . 1 1 102 102 ALA H H 93 7.919 7.919 8.338 -0.419 18221 8973 1 17 . 1 1 103 103 LEU N N 94 117.445 117.445 117.813 -0.368 18221 8974 1 17 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.619 2.163 18221 8975 1 17 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.480 -0.578 18221 8976 1 17 . 1 1 103 103 LEU H H 94 8.037 8.037 8.063 -0.026 18221 8977 1 17 . 1 1 104 104 GLY N N 95 106.296 106.296 107.324 -1.028 18221 8978 1 17 . 1 1 104 104 GLY C C 95 175.851 175.851 173.159 2.692 18221 8979 1 17 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.164 2.405 18221 8980 1 17 . 1 1 104 104 GLY H H 95 7.900 7.900 7.993 -0.093 18221 8981 1 17 . 1 1 105 105 ALA N N 96 123.872 123.872 120.567 3.305 18221 8982 1 17 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.414 1.712 18221 8983 1 17 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.222 -1.635 18221 8984 1 17 . 1 1 105 105 ALA H H 96 7.804 7.804 8.054 -0.250 18221 8985 1 17 . 1 1 106 106 TRP N N 97 120.348 120.348 120.010 0.338 18221 8986 1 17 . 1 1 106 106 TRP C C 97 176.857 176.857 175.175 1.682 18221 8987 1 17 . 1 1 106 106 TRP CA C 97 56.900 56.900 55.372 1.528 18221 8988 1 17 . 1 1 106 106 TRP H H 97 8.385 8.385 7.544 0.841 18221 8989 1 17 . 1 1 107 107 LEU N N 98 117.756 117.756 124.331 -6.575 18221 8990 1 17 . 1 1 107 107 LEU C C 98 177.659 177.659 176.633 1.026 18221 8991 1 17 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.194 -0.091 18221 8992 1 17 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.103 -0.685 18221 8993 1 17 . 1 1 107 107 LEU H H 98 7.880 7.880 8.439 -0.559 18221 8994 1 17 . 1 1 108 108 GLY N N 99 107.285 107.285 112.015 -4.730 18221 8995 1 17 . 1 1 108 108 GLY C C 99 173.815 173.815 174.599 -0.784 18221 8996 1 17 . 1 1 108 108 GLY CA C 99 44.947 44.947 45.143 -0.196 18221 8997 1 17 . 1 1 108 108 GLY H H 99 7.694 7.694 8.802 -1.108 18221 8998 1 17 . 1 1 109 109 SER N N 100 117.139 117.139 116.800 0.339 18221 8999 1 17 . 1 1 109 109 SER C C 100 172.179 172.179 172.715 -0.536 18221 9000 1 17 . 1 1 109 109 SER CA C 100 56.015 56.015 57.023 -1.008 18221 9001 1 17 . 1 1 109 109 SER CB C 100 62.771 62.771 63.840 -1.069 18221 9002 1 17 . 1 1 109 109 SER H H 100 8.030 8.030 8.237 -0.207 18221 9003 1 17 . 1 1 111 111 PRO C C 102 177.073 177.073 177.335 -0.262 18221 9004 1 17 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.415 -0.216 18221 9005 1 17 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.392 -1.181 18221 9006 1 17 . 1 1 112 112 SER N N 103 117.115 117.115 116.095 1.020 18221 9007 1 17 . 1 1 112 112 SER C C 103 173.898 173.898 175.086 -1.188 18221 9008 1 17 . 1 1 112 112 SER CA C 103 57.904 57.904 59.951 -2.047 18221 9009 1 17 . 1 1 112 112 SER CB C 103 63.360 63.360 63.482 -0.122 18221 9010 1 17 . 1 1 112 112 SER H H 103 8.345 8.345 8.373 -0.028 18221 9011 1 18 . 1 1 11 11 GLY N N 2 109.366 109.366 108.532 0.834 18221 9012 1 18 . 1 1 11 11 GLY C C 2 174.543 174.543 172.656 1.887 18221 9013 1 18 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.553 0.142 18221 9014 1 18 . 1 1 11 11 GLY H H 2 8.271 8.271 8.363 -0.092 18221 9015 1 18 . 1 1 12 12 LYS N N 3 121.129 121.129 118.470 2.659 18221 9016 1 18 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.357 -0.225 18221 9017 1 18 . 1 1 12 12 LYS C C 3 177.234 177.234 176.512 0.722 18221 9018 1 18 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.199 0.613 18221 9019 1 18 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.424 -1.578 18221 9020 1 18 . 1 1 12 12 LYS H H 3 8.057 8.057 8.467 -0.410 18221 9021 1 18 . 1 1 13 13 GLU N N 4 120.318 120.318 120.027 0.291 18221 9022 1 18 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.493 -0.338 18221 9023 1 18 . 1 1 13 13 GLU C C 4 176.857 176.857 176.366 0.491 18221 9024 1 18 . 1 1 13 13 GLU CA C 4 56.871 56.871 57.153 -0.282 18221 9025 1 18 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.470 -2.082 18221 9026 1 18 . 1 1 13 13 GLU H H 4 8.398 8.398 8.368 0.030 18221 9027 1 18 . 1 1 14 14 SER N N 5 115.504 115.504 116.086 -0.582 18221 9028 1 18 . 1 1 14 14 SER HA H 5 3.843 3.843 4.723 -0.880 18221 9029 1 18 . 1 1 14 14 SER C C 5 175.337 175.337 173.959 1.378 18221 9030 1 18 . 1 1 14 14 SER CA C 5 58.524 58.524 57.732 0.792 18221 9031 1 18 . 1 1 14 14 SER CB C 5 63.360 63.360 63.969 -0.609 18221 9032 1 18 . 1 1 14 14 SER H H 5 8.089 8.089 8.073 0.016 18221 9033 1 18 . 1 1 15 15 GLY N N 6 110.761 110.761 112.001 -1.240 18221 9034 1 18 . 1 1 15 15 GLY C C 6 174.581 174.581 172.711 1.870 18221 9035 1 18 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.173 0.393 18221 9036 1 18 . 1 1 15 15 GLY H H 6 8.197 8.197 8.283 -0.086 18221 9037 1 18 . 1 1 16 16 TRP N N 7 121.800 121.800 121.859 -0.059 18221 9038 1 18 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.786 -0.226 18221 9039 1 18 . 1 1 16 16 TRP C C 7 176.920 176.920 175.358 1.562 18221 9040 1 18 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.637 1.444 18221 9041 1 18 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.789 -2.110 18221 9042 1 18 . 1 1 16 16 TRP H H 7 8.184 8.184 8.683 -0.499 18221 9043 1 18 . 1 1 17 17 ASP N N 8 121.132 121.132 124.985 -3.853 18221 9044 1 18 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.529 -0.134 18221 9045 1 18 . 1 1 17 17 ASP C C 8 176.941 176.941 176.481 0.460 18221 9046 1 18 . 1 1 17 17 ASP CA C 8 56.244 56.244 55.670 0.574 18221 9047 1 18 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.281 -1.336 18221 9048 1 18 . 1 1 17 17 ASP H H 8 8.332 8.332 8.584 -0.252 18221 9049 1 18 . 1 1 18 18 SER N N 9 116.148 116.148 114.849 1.299 18221 9050 1 18 . 1 1 18 18 SER HA H 9 3.861 3.861 4.298 -0.437 18221 9051 1 18 . 1 1 18 18 SER CA C 9 60.081 60.081 58.107 1.974 18221 9052 1 18 . 1 1 18 18 SER CB C 9 62.255 62.255 63.728 -1.473 18221 9053 1 18 . 1 1 18 18 SER H H 9 8.129 8.129 8.488 -0.359 18221 9054 1 18 . 1 1 19 19 GLY N N 10 110.747 110.747 111.319 -0.572 18221 9055 1 18 . 1 1 19 19 GLY C C 10 174.682 174.682 175.072 -0.390 18221 9056 1 18 . 1 1 19 19 GLY CA C 10 46.600 46.600 44.530 2.070 18221 9057 1 18 . 1 1 19 19 GLY H H 10 8.216 8.216 8.432 -0.216 18221 9058 1 18 . 1 1 20 20 ARG N N 11 121.405 121.405 120.015 1.390 18221 9059 1 18 . 1 1 20 20 ARG HA H 11 3.857 3.857 3.946 -0.089 18221 9060 1 18 . 1 1 20 20 ARG C C 11 178.328 178.328 179.039 -0.711 18221 9061 1 18 . 1 1 20 20 ARG CA C 11 59.085 59.085 59.295 -0.210 18221 9062 1 18 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.182 -1.135 18221 9063 1 18 . 1 1 20 20 ARG H H 11 8.158 8.158 8.620 -0.462 18221 9064 1 18 . 1 1 21 21 ALA N N 12 122.167 122.167 122.253 -0.086 18221 9065 1 18 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.064 0.036 18221 9066 1 18 . 1 1 21 21 ALA C C 12 180.129 180.129 179.422 0.707 18221 9067 1 18 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.779 -0.387 18221 9068 1 18 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.923 -0.509 18221 9069 1 18 . 1 1 21 21 ALA H H 12 7.963 7.963 8.361 -0.398 18221 9070 1 18 . 1 1 22 22 ALA N N 13 122.150 122.150 121.224 0.926 18221 9071 1 18 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.964 0.073 18221 9072 1 18 . 1 1 22 22 ALA C C 13 179.095 179.095 179.963 -0.868 18221 9073 1 18 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.857 -0.141 18221 9074 1 18 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.957 -0.397 18221 9075 1 18 . 1 1 22 22 ALA H H 13 7.881 7.881 8.364 -0.483 18221 9076 1 18 . 1 1 23 23 VAL N N 14 117.107 117.107 119.340 -2.233 18221 9077 1 18 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.486 -0.006 18221 9078 1 18 . 1 1 23 23 VAL C C 14 177.586 177.586 177.998 -0.412 18221 9079 1 18 . 1 1 23 23 VAL CA C 14 66.198 66.198 66.705 -0.507 18221 9080 1 18 . 1 1 23 23 VAL CB C 14 30.520 30.520 31.325 -0.804 18221 9081 1 18 . 1 1 23 23 VAL H H 14 7.888 7.888 7.940 -0.052 18221 9082 1 18 . 1 1 24 24 ALA N N 15 121.333 121.333 121.365 -0.032 18221 9083 1 18 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.919 0.062 18221 9084 1 18 . 1 1 24 24 ALA C C 15 180.373 180.373 179.342 1.031 18221 9085 1 18 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.119 -0.108 18221 9086 1 18 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.669 -0.417 18221 9087 1 18 . 1 1 24 24 ALA H H 15 8.037 8.037 7.764 0.273 18221 9088 1 18 . 1 1 25 25 ALA N N 16 121.158 121.158 119.861 1.297 18221 9089 1 18 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.140 0.006 18221 9090 1 18 . 1 1 25 25 ALA C C 16 179.828 179.828 178.671 1.157 18221 9091 1 18 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.792 -0.341 18221 9092 1 18 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.452 -0.965 18221 9093 1 18 . 1 1 25 25 ALA H H 16 7.819 7.819 7.862 -0.043 18221 9094 1 18 . 1 1 26 26 VAL N N 17 118.417 118.417 117.265 1.152 18221 9095 1 18 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.848 -0.070 18221 9096 1 18 . 1 1 26 26 VAL C C 17 178.020 178.020 177.009 1.011 18221 9097 1 18 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.491 2.087 18221 9098 1 18 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.789 -0.704 18221 9099 1 18 . 1 1 26 26 VAL H H 17 7.848 7.848 7.512 0.336 18221 9100 1 18 . 1 1 27 27 VAL N N 18 119.240 119.240 119.799 -0.559 18221 9101 1 18 . 1 1 27 27 VAL C C 18 177.719 177.719 176.590 1.129 18221 9102 1 18 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.439 1.552 18221 9103 1 18 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.102 -1.915 18221 9104 1 18 . 1 1 27 27 VAL H H 18 8.377 8.377 7.671 0.706 18221 9105 1 18 . 1 1 28 28 GLY N N 19 106.009 106.009 106.611 -0.602 18221 9106 1 18 . 1 1 28 28 GLY C C 19 176.212 176.212 174.115 2.097 18221 9107 1 18 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.451 -0.207 18221 9108 1 18 . 1 1 28 28 GLY H H 19 8.122 8.122 8.217 -0.095 18221 9109 1 18 . 1 1 29 29 GLY N N 20 110.216 110.216 110.440 -0.224 18221 9110 1 18 . 1 1 29 29 GLY C C 20 174.097 174.097 175.384 -1.287 18221 9111 1 18 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.591 1.743 18221 9112 1 18 . 1 1 29 29 GLY H H 20 8.039 8.039 8.048 -0.009 18221 9113 1 18 . 1 1 30 30 VAL N N 21 121.188 121.188 119.704 1.484 18221 9114 1 18 . 1 1 30 30 VAL C C 21 177.073 177.073 177.626 -0.553 18221 9115 1 18 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.431 -2.857 18221 9116 1 18 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.270 -0.479 18221 9117 1 18 . 1 1 30 30 VAL H H 21 7.983 7.983 8.209 -0.226 18221 9118 1 18 . 1 1 32 32 ALA N N 23 125.091 125.091 121.853 3.238 18221 9119 1 18 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.002 0.258 18221 9120 1 18 . 1 1 32 32 ALA C C 23 179.523 179.523 179.819 -0.296 18221 9121 1 18 . 1 1 32 32 ALA CA C 23 53.683 53.683 54.969 -1.286 18221 9122 1 18 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.852 -1.468 18221 9123 1 18 . 1 1 32 32 ALA H H 23 8.036 8.036 7.760 0.276 18221 9124 1 18 . 1 1 33 33 VAL N N 24 118.793 118.793 117.569 1.224 18221 9125 1 18 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.611 0.097 18221 9126 1 18 . 1 1 33 33 VAL C C 24 177.901 177.901 178.185 -0.284 18221 9127 1 18 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.989 -0.559 18221 9128 1 18 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.305 0.013 18221 9129 1 18 . 1 1 33 33 VAL H H 24 8.195 8.195 8.119 0.076 18221 9130 1 18 . 1 1 34 34 GLY N N 25 108.367 108.367 108.408 -0.041 18221 9131 1 18 . 1 1 34 34 GLY C C 25 175.424 175.424 175.798 -0.374 18221 9132 1 18 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.516 -0.182 18221 9133 1 18 . 1 1 34 34 GLY H H 25 8.651 8.651 8.477 0.174 18221 9134 1 18 . 1 1 35 35 THR N N 26 116.448 116.448 119.336 -2.888 18221 9135 1 18 . 1 1 35 35 THR C C 26 176.843 176.843 177.035 -0.192 18221 9136 1 18 . 1 1 35 35 THR CA C 26 65.962 65.962 67.408 -1.446 18221 9137 1 18 . 1 1 35 35 THR CB C 26 68.414 68.414 68.731 -0.317 18221 9138 1 18 . 1 1 35 35 THR H H 26 7.975 7.975 8.217 -0.242 18221 9139 1 18 . 1 1 36 36 VAL N N 27 122.810 122.810 121.359 1.451 18221 9140 1 18 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.608 0.111 18221 9141 1 18 . 1 1 36 36 VAL C C 27 177.618 177.618 177.729 -0.111 18221 9142 1 18 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.562 -0.836 18221 9143 1 18 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.471 -0.804 18221 9144 1 18 . 1 1 36 36 VAL H H 27 7.559 7.559 8.080 -0.521 18221 9145 1 18 . 1 1 37 37 LEU N N 28 119.566 119.566 120.741 -1.175 18221 9146 1 18 . 1 1 37 37 LEU HA H 28 3.953 3.953 4.015 -0.062 18221 9147 1 18 . 1 1 37 37 LEU C C 28 179.666 179.666 179.101 0.565 18221 9148 1 18 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.487 -0.642 18221 9149 1 18 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.572 -1.406 18221 9150 1 18 . 1 1 37 37 LEU H H 28 8.086 8.086 7.759 0.327 18221 9151 1 18 . 1 1 38 38 VAL N N 29 119.468 119.468 118.620 0.848 18221 9152 1 18 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.507 0.146 18221 9153 1 18 . 1 1 38 38 VAL C C 29 178.639 178.639 177.932 0.707 18221 9154 1 18 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.646 -0.173 18221 9155 1 18 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.121 -0.512 18221 9156 1 18 . 1 1 38 38 VAL H H 29 8.066 8.066 8.369 -0.303 18221 9157 1 18 . 1 1 39 39 ALA N N 30 124.255 124.255 122.757 1.498 18221 9158 1 18 . 1 1 39 39 ALA HA H 30 4.165 4.165 3.995 0.170 18221 9159 1 18 . 1 1 39 39 ALA C C 30 180.303 180.303 179.112 1.191 18221 9160 1 18 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.024 -0.190 18221 9161 1 18 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.442 -0.734 18221 9162 1 18 . 1 1 39 39 ALA H H 30 7.688 7.688 7.684 0.004 18221 9163 1 18 . 1 1 40 40 LEU N N 31 118.268 118.268 118.766 -0.498 18221 9164 1 18 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.911 0.230 18221 9165 1 18 . 1 1 40 40 LEU C C 31 179.271 179.271 179.305 -0.034 18221 9166 1 18 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.115 -1.038 18221 9167 1 18 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.020 -1.118 18221 9168 1 18 . 1 1 40 40 LEU H H 31 8.326 8.326 8.087 0.239 18221 9169 1 18 . 1 1 41 41 SER N N 32 114.984 114.984 114.239 0.745 18221 9170 1 18 . 1 1 41 41 SER HA H 32 3.952 3.952 4.148 -0.196 18221 9171 1 18 . 1 1 41 41 SER C C 32 176.284 176.284 175.647 0.637 18221 9172 1 18 . 1 1 41 41 SER CA C 32 60.885 60.885 61.119 -0.234 18221 9173 1 18 . 1 1 41 41 SER CB C 32 62.410 62.410 62.987 -0.577 18221 9174 1 18 . 1 1 41 41 SER H H 32 8.062 8.062 8.158 -0.096 18221 9175 1 18 . 1 1 42 42 ALA N N 33 124.588 124.588 122.313 2.275 18221 9176 1 18 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.408 -0.183 18221 9177 1 18 . 1 1 42 42 ALA C C 33 179.033 179.033 177.501 1.532 18221 9178 1 18 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.615 2.098 18221 9179 1 18 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.007 0.922 18221 9180 1 18 . 1 1 42 42 ALA H H 33 7.813 7.813 7.687 0.126 18221 9181 1 18 . 1 1 43 43 MET N N 34 116.808 116.808 121.144 -4.336 18221 9182 1 18 . 1 1 43 43 MET HA H 34 4.285 4.285 4.600 -0.315 18221 9183 1 18 . 1 1 43 43 MET C C 34 176.807 176.807 177.398 -0.591 18221 9184 1 18 . 1 1 43 43 MET CA C 34 56.576 56.576 57.624 -1.048 18221 9185 1 18 . 1 1 43 43 MET CB C 34 32.435 32.435 33.512 -1.077 18221 9186 1 18 . 1 1 43 43 MET H H 34 7.691 7.691 7.668 0.023 18221 9187 1 18 . 1 1 44 44 GLY N N 35 107.020 107.020 104.901 2.119 18221 9188 1 18 . 1 1 44 44 GLY C C 35 174.493 174.493 174.043 0.450 18221 9189 1 18 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.080 -0.015 18221 9190 1 18 . 1 1 44 44 GLY H H 35 7.793 7.793 8.035 -0.242 18221 9191 1 18 . 1 1 45 45 PHE N N 36 120.285 120.285 119.526 0.759 18221 9192 1 18 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.150 0.357 18221 9193 1 18 . 1 1 45 45 PHE C C 36 176.876 176.876 174.106 2.770 18221 9194 1 18 . 1 1 45 45 PHE CA C 36 58.937 58.937 59.024 -0.087 18221 9195 1 18 . 1 1 45 45 PHE CB C 36 38.178 38.178 38.195 -0.017 18221 9196 1 18 . 1 1 45 45 PHE H H 36 8.215 8.215 8.109 0.106 18221 9197 1 18 . 1 1 46 46 THR N N 37 114.008 114.008 111.952 2.056 18221 9198 1 18 . 1 1 46 46 THR HA H 37 4.080 4.080 4.592 -0.512 18221 9199 1 18 . 1 1 46 46 THR C C 37 175.751 175.751 173.313 2.438 18221 9200 1 18 . 1 1 46 46 THR CA C 37 64.220 64.220 60.593 3.627 18221 9201 1 18 . 1 1 46 46 THR CB C 37 68.514 68.514 71.066 -2.552 18221 9202 1 18 . 1 1 46 46 THR H H 37 8.111 8.111 7.595 0.516 18221 9203 1 18 . 1 1 47 47 SER N N 38 116.646 116.646 117.281 -0.635 18221 9204 1 18 . 1 1 47 47 SER HA H 38 3.918 3.918 4.349 -0.431 18221 9205 1 18 . 1 1 47 47 SER C C 38 176.744 176.744 174.576 2.168 18221 9206 1 18 . 1 1 47 47 SER CA C 38 59.911 59.911 58.773 1.138 18221 9207 1 18 . 1 1 47 47 SER CB C 38 62.624 62.624 62.766 -0.142 18221 9208 1 18 . 1 1 47 47 SER H H 38 8.079 8.079 8.188 -0.109 18221 9209 1 18 . 1 1 48 48 VAL N N 39 121.929 121.929 124.434 -2.505 18221 9210 1 18 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.837 0.072 18221 9211 1 18 . 1 1 48 48 VAL C C 39 177.033 177.033 177.663 -0.630 18221 9212 1 18 . 1 1 48 48 VAL CA C 39 64.988 64.988 64.951 0.037 18221 9213 1 18 . 1 1 48 48 VAL CB C 39 30.667 30.667 30.716 -0.049 18221 9214 1 18 . 1 1 48 48 VAL H H 39 7.985 7.985 8.097 -0.112 18221 9215 1 18 . 1 1 49 49 GLY N N 40 108.633 108.633 107.824 0.809 18221 9216 1 18 . 1 1 49 49 GLY C C 40 176.038 176.038 176.562 -0.524 18221 9217 1 18 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.684 -0.819 18221 9218 1 18 . 1 1 49 49 GLY H H 40 8.267 8.267 8.433 -0.166 18221 9219 1 18 . 1 1 50 50 ILE N N 41 122.466 122.466 123.336 -0.870 18221 9220 1 18 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.621 0.250 18221 9221 1 18 . 1 1 50 50 ILE C C 41 178.363 178.363 178.060 0.303 18221 9222 1 18 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.073 -0.558 18221 9223 1 18 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.636 -0.398 18221 9224 1 18 . 1 1 50 50 ILE H H 41 7.865 7.865 7.981 -0.116 18221 9225 1 18 . 1 1 51 51 ALA N N 42 125.064 125.064 121.431 3.633 18221 9226 1 18 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.887 0.212 18221 9227 1 18 . 1 1 51 51 ALA C C 42 179.385 179.385 179.485 -0.100 18221 9228 1 18 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.307 -0.827 18221 9229 1 18 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.806 -0.319 18221 9230 1 18 . 1 1 51 51 ALA H H 42 7.930 7.930 8.453 -0.523 18221 9231 1 18 . 1 1 52 52 ALA N N 43 120.594 120.594 120.023 0.571 18221 9232 1 18 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.013 -0.076 18221 9233 1 18 . 1 1 52 52 ALA C C 43 179.088 179.088 179.994 -0.906 18221 9234 1 18 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.844 0.256 18221 9235 1 18 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.984 -0.349 18221 9236 1 18 . 1 1 52 52 ALA H H 43 8.639 8.639 8.059 0.580 18221 9237 1 18 . 1 1 53 53 SER N N 44 113.012 113.012 115.429 -2.417 18221 9238 1 18 . 1 1 53 53 SER HA H 44 3.966 3.966 4.263 -0.297 18221 9239 1 18 . 1 1 53 53 SER C C 44 176.898 176.898 176.837 0.061 18221 9240 1 18 . 1 1 53 53 SER CA C 44 61.139 61.139 61.580 -0.441 18221 9241 1 18 . 1 1 53 53 SER CB C 44 62.347 62.347 62.955 -0.608 18221 9242 1 18 . 1 1 53 53 SER H H 44 8.193 8.193 8.148 0.045 18221 9243 1 18 . 1 1 54 54 SER N N 45 118.714 118.714 118.423 0.291 18221 9244 1 18 . 1 1 54 54 SER HA H 45 3.975 3.975 4.074 -0.099 18221 9245 1 18 . 1 1 54 54 SER C C 45 177.131 177.131 176.900 0.231 18221 9246 1 18 . 1 1 54 54 SER CA C 45 61.210 61.210 62.330 -1.120 18221 9247 1 18 . 1 1 54 54 SER CB C 45 62.255 62.255 62.857 -0.602 18221 9248 1 18 . 1 1 54 54 SER H H 45 7.944 7.944 8.571 -0.627 18221 9249 1 18 . 1 1 55 55 ILE N N 46 122.912 122.912 121.134 1.778 18221 9250 1 18 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.639 0.118 18221 9251 1 18 . 1 1 55 55 ILE C C 46 177.813 177.813 177.102 0.711 18221 9252 1 18 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.780 -0.589 18221 9253 1 18 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.947 -1.021 18221 9254 1 18 . 1 1 55 55 ILE H H 46 8.028 8.028 8.033 -0.005 18221 9255 1 18 . 1 1 56 56 ALA N N 47 122.990 122.990 120.955 2.035 18221 9256 1 18 . 1 1 56 56 ALA HA H 47 3.956 3.956 3.972 -0.016 18221 9257 1 18 . 1 1 56 56 ALA C C 47 180.294 180.294 179.408 0.886 18221 9258 1 18 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.624 -0.286 18221 9259 1 18 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.566 -0.864 18221 9260 1 18 . 1 1 56 56 ALA H H 47 8.333 8.333 7.569 0.764 18221 9261 1 18 . 1 1 57 57 ALA N N 48 121.988 121.988 121.510 0.478 18221 9262 1 18 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.053 0.015 18221 9263 1 18 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.186 1.235 18221 9264 1 18 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.075 -1.373 18221 9265 1 18 . 1 1 57 57 ALA H H 48 7.879 7.879 7.986 -0.107 18221 9266 1 18 . 1 1 58 58 LYS N N 49 119.094 119.094 116.044 3.050 18221 9267 1 18 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.007 0.139 18221 9268 1 18 . 1 1 58 58 LYS C C 49 179.649 179.649 176.741 2.908 18221 9269 1 18 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.798 0.359 18221 9270 1 18 . 1 1 58 58 LYS CB C 49 31.330 31.330 30.175 1.155 18221 9271 1 18 . 1 1 58 58 LYS H H 49 7.727 7.727 7.835 -0.108 18221 9272 1 18 . 1 1 59 59 MET N N 50 120.498 120.498 119.851 0.647 18221 9273 1 18 . 1 1 59 59 MET HA H 50 4.156 4.156 4.115 0.041 18221 9274 1 18 . 1 1 59 59 MET C C 50 177.949 177.949 177.225 0.724 18221 9275 1 18 . 1 1 59 59 MET CA C 50 57.136 57.136 58.059 -0.922 18221 9276 1 18 . 1 1 59 59 MET CB C 50 31.922 31.922 33.493 -1.571 18221 9277 1 18 . 1 1 59 59 MET H H 50 8.395 8.395 8.524 -0.129 18221 9278 1 18 . 1 1 60 60 MET N N 51 117.689 117.689 118.272 -0.583 18221 9279 1 18 . 1 1 60 60 MET HA H 51 4.222 4.222 4.222 0.000 18221 9280 1 18 . 1 1 60 60 MET C C 51 177.674 177.674 175.994 1.680 18221 9281 1 18 . 1 1 60 60 MET CA C 51 57.638 57.638 55.259 2.379 18221 9282 1 18 . 1 1 60 60 MET CB C 51 31.785 31.785 32.193 -0.408 18221 9283 1 18 . 1 1 60 60 MET H H 51 8.234 8.234 8.148 0.086 18221 9284 1 18 . 1 1 61 61 SER N N 52 114.385 114.385 115.854 -1.469 18221 9285 1 18 . 1 1 61 61 SER HA H 52 4.001 4.001 4.139 -0.138 18221 9286 1 18 . 1 1 61 61 SER C C 52 176.079 176.079 173.871 2.208 18221 9287 1 18 . 1 1 61 61 SER CA C 52 59.911 59.911 60.735 -0.824 18221 9288 1 18 . 1 1 61 61 SER CB C 52 62.624 62.624 62.792 -0.168 18221 9289 1 18 . 1 1 61 61 SER H H 52 7.893 7.893 8.866 -0.973 18221 9290 1 18 . 1 1 62 62 THR N N 53 117.304 117.304 110.971 6.333 18221 9291 1 18 . 1 1 62 62 THR HA H 53 4.104 4.104 4.551 -0.447 18221 9292 1 18 . 1 1 62 62 THR C C 53 175.436 175.436 172.588 2.848 18221 9293 1 18 . 1 1 62 62 THR CA C 53 64.220 64.220 61.606 2.614 18221 9294 1 18 . 1 1 62 62 THR CB C 53 68.514 68.514 72.059 -3.545 18221 9295 1 18 . 1 1 62 62 THR H H 53 7.794 7.794 7.707 0.087 18221 9296 1 18 . 1 1 63 63 ALA N N 54 125.382 125.382 124.224 1.158 18221 9297 1 18 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.293 -0.199 18221 9298 1 18 . 1 1 63 63 ALA C C 54 178.328 178.328 175.344 2.984 18221 9299 1 18 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.318 1.778 18221 9300 1 18 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.379 -1.671 18221 9301 1 18 . 1 1 63 63 ALA H H 54 8.204 8.204 8.565 -0.361 18221 9302 1 18 . 1 1 64 64 ALA N N 55 119.929 119.929 123.150 -3.221 18221 9303 1 18 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.666 -0.541 18221 9304 1 18 . 1 1 64 64 ALA C C 55 179.183 179.183 176.541 2.642 18221 9305 1 18 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.316 1.721 18221 9306 1 18 . 1 1 64 64 ALA CB C 55 17.708 17.708 20.616 -2.908 18221 9307 1 18 . 1 1 64 64 ALA H H 55 7.951 7.951 7.714 0.237 18221 9308 1 18 . 1 1 65 65 ILE N N 56 117.016 117.016 122.097 -5.081 18221 9309 1 18 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.238 -0.288 18221 9310 1 18 . 1 1 65 65 ILE C C 56 177.222 177.222 175.420 1.802 18221 9311 1 18 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.747 0.437 18221 9312 1 18 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.079 -0.006 18221 9313 1 18 . 1 1 65 65 ILE H H 56 7.561 7.561 8.542 -0.981 18221 9314 1 18 . 1 1 66 66 ALA N N 57 124.191 124.191 126.554 -2.363 18221 9315 1 18 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.388 -0.211 18221 9316 1 18 . 1 1 66 66 ALA C C 57 178.190 178.190 176.202 1.988 18221 9317 1 18 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.811 0.725 18221 9318 1 18 . 1 1 66 66 ALA CB C 57 17.929 17.929 19.138 -1.209 18221 9319 1 18 . 1 1 66 66 ALA H H 57 7.982 7.982 8.055 -0.073 18221 9320 1 18 . 1 1 67 67 ASN N N 58 116.132 116.132 117.120 -0.988 18221 9321 1 18 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.755 -0.082 18221 9322 1 18 . 1 1 67 67 ASN C C 58 176.344 176.344 173.927 2.417 18221 9323 1 18 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.647 -0.170 18221 9324 1 18 . 1 1 67 67 ASN CB C 58 38.472 38.472 40.113 -1.641 18221 9325 1 18 . 1 1 67 67 ASN H H 58 8.113 8.113 8.090 0.023 18221 9326 1 18 . 1 1 68 68 GLY N N 59 108.808 108.808 108.419 0.389 18221 9327 1 18 . 1 1 68 68 GLY C C 59 174.958 174.958 174.317 0.641 18221 9328 1 18 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.682 -0.027 18221 9329 1 18 . 1 1 68 68 GLY H H 59 8.152 8.152 8.617 -0.465 18221 9330 1 18 . 1 1 69 69 GLY N N 60 108.832 108.832 108.991 -0.159 18221 9331 1 18 . 1 1 69 69 GLY C C 60 174.631 174.631 174.593 0.038 18221 9332 1 18 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.579 -0.160 18221 9333 1 18 . 1 1 69 69 GLY H H 60 8.218 8.218 8.040 0.178 18221 9334 1 18 . 1 1 70 70 GLY N N 61 108.966 108.966 109.836 -0.870 18221 9335 1 18 . 1 1 70 70 GLY C C 61 174.594 174.594 173.393 1.201 18221 9336 1 18 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.649 0.711 18221 9337 1 18 . 1 1 70 70 GLY H H 61 8.175 8.175 7.856 0.319 18221 9338 1 18 . 1 1 71 71 VAL N N 62 120.209 120.209 123.153 -2.944 18221 9339 1 18 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.712 0.294 18221 9340 1 18 . 1 1 71 71 VAL C C 62 176.077 176.077 177.130 -1.053 18221 9341 1 18 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.676 -1.286 18221 9342 1 18 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.462 -0.764 18221 9343 1 18 . 1 1 71 71 VAL H H 62 7.882 7.882 8.212 -0.330 18221 9344 1 18 . 1 1 72 72 ALA N N 63 126.966 126.966 128.136 -1.170 18221 9345 1 18 . 1 1 72 72 ALA HA H 63 4.026 4.026 3.926 0.100 18221 9346 1 18 . 1 1 72 72 ALA C C 63 178.064 178.064 177.478 0.586 18221 9347 1 18 . 1 1 72 72 ALA CA C 63 52.503 52.503 54.207 -1.704 18221 9348 1 18 . 1 1 72 72 ALA CB C 63 18.225 18.225 17.507 0.718 18221 9349 1 18 . 1 1 72 72 ALA H H 63 8.237 8.237 8.736 -0.499 18221 9350 1 18 . 1 1 73 73 ALA N N 64 123.432 123.432 120.822 2.610 18221 9351 1 18 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.136 -0.121 18221 9352 1 18 . 1 1 73 73 ALA C C 64 178.995 178.995 177.339 1.656 18221 9353 1 18 . 1 1 73 73 ALA CA C 64 54.421 54.421 53.603 0.818 18221 9354 1 18 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.175 -0.172 18221 9355 1 18 . 1 1 73 73 ALA H H 64 8.421 8.421 8.496 -0.075 18221 9356 1 18 . 1 1 74 74 GLY N N 65 105.577 105.577 105.076 0.501 18221 9357 1 18 . 1 1 74 74 GLY C C 65 176.367 176.367 174.357 2.010 18221 9358 1 18 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.837 0.407 18221 9359 1 18 . 1 1 74 74 GLY H H 65 8.448 8.448 7.930 0.518 18221 9360 1 18 . 1 1 75 75 SER N N 66 117.656 117.656 119.183 -1.527 18221 9361 1 18 . 1 1 75 75 SER HA H 66 4.394 4.394 4.281 0.113 18221 9362 1 18 . 1 1 75 75 SER C C 66 176.329 176.329 176.656 -0.327 18221 9363 1 18 . 1 1 75 75 SER CA C 66 60.236 60.236 60.692 -0.456 18221 9364 1 18 . 1 1 75 75 SER CB C 66 62.476 62.476 62.813 -0.337 18221 9365 1 18 . 1 1 75 75 SER H H 66 7.899 7.899 8.353 -0.454 18221 9366 1 18 . 1 1 76 76 LEU N N 67 122.743 122.743 121.221 1.522 18221 9367 1 18 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.981 0.069 18221 9368 1 18 . 1 1 76 76 LEU C C 67 178.442 178.442 178.372 0.070 18221 9369 1 18 . 1 1 76 76 LEU CA C 67 57.520 57.520 58.191 -0.671 18221 9370 1 18 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.874 -1.193 18221 9371 1 18 . 1 1 76 76 LEU H H 67 7.955 7.955 8.451 -0.496 18221 9372 1 18 . 1 1 77 77 VAL N N 68 118.400 118.400 118.364 0.036 18221 9373 1 18 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.541 -0.070 18221 9374 1 18 . 1 1 77 77 VAL C C 68 177.297 177.297 177.991 -0.694 18221 9375 1 18 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.326 0.344 18221 9376 1 18 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.614 -0.094 18221 9377 1 18 . 1 1 77 77 VAL H H 68 8.039 8.039 7.937 0.102 18221 9378 1 18 . 1 1 78 78 ALA N N 69 121.927 121.927 122.120 -0.193 18221 9379 1 18 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.086 0.119 18221 9380 1 18 . 1 1 78 78 ALA C C 69 181.258 181.258 179.585 1.673 18221 9381 1 18 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.189 -0.207 18221 9382 1 18 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.196 -0.782 18221 9383 1 18 . 1 1 78 78 ALA H H 69 7.631 7.631 7.887 -0.256 18221 9384 1 18 . 1 1 79 79 ILE N N 70 119.782 119.782 119.745 0.037 18221 9385 1 18 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.791 0.005 18221 9386 1 18 . 1 1 79 79 ILE C C 70 178.253 178.253 178.134 0.119 18221 9387 1 18 . 1 1 79 79 ILE CA C 70 64.352 64.352 62.821 1.531 18221 9388 1 18 . 1 1 79 79 ILE CB C 70 37.073 37.073 36.759 0.314 18221 9389 1 18 . 1 1 79 79 ILE H H 70 7.841 7.841 7.128 0.713 18221 9390 1 18 . 1 1 80 80 LEU N N 71 120.841 120.841 120.273 0.568 18221 9391 1 18 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.745 0.192 18221 9392 1 18 . 1 1 80 80 LEU C C 71 179.234 179.234 178.622 0.612 18221 9393 1 18 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.101 -0.256 18221 9394 1 18 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.782 -1.763 18221 9395 1 18 . 1 1 80 80 LEU H H 71 8.190 8.190 8.479 -0.289 18221 9396 1 18 . 1 1 81 81 GLN N N 72 117.558 117.558 117.946 -0.388 18221 9397 1 18 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.884 0.085 18221 9398 1 18 . 1 1 81 81 GLN C C 72 178.530 178.530 178.579 -0.049 18221 9399 1 18 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.300 -0.481 18221 9400 1 18 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.607 -1.327 18221 9401 1 18 . 1 1 81 81 GLN H H 72 8.489 8.489 8.103 0.386 18221 9402 1 18 . 1 1 82 82 SER N N 73 116.103 116.103 114.988 1.115 18221 9403 1 18 . 1 1 82 82 SER HA H 73 4.233 4.233 4.211 0.022 18221 9404 1 18 . 1 1 82 82 SER C C 73 177.243 177.243 176.962 0.281 18221 9405 1 18 . 1 1 82 82 SER CA C 73 61.044 61.044 61.429 -0.385 18221 9406 1 18 . 1 1 82 82 SER CB C 73 62.257 62.257 62.774 -0.517 18221 9407 1 18 . 1 1 82 82 SER H H 73 7.855 7.855 7.972 -0.117 18221 9408 1 18 . 1 1 83 83 VAL N N 74 120.362 120.362 120.947 -0.585 18221 9409 1 18 . 1 1 83 83 VAL C C 74 177.979 177.979 178.253 -0.274 18221 9410 1 18 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.664 -1.558 18221 9411 1 18 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.514 -0.773 18221 9412 1 18 . 1 1 83 83 VAL H H 74 8.030 8.030 8.183 -0.153 18221 9413 1 18 . 1 1 84 84 GLY N N 75 108.223 108.223 106.992 1.231 18221 9414 1 18 . 1 1 84 84 GLY C C 75 174.913 174.913 175.254 -0.341 18221 9415 1 18 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.910 -0.133 18221 9416 1 18 . 1 1 84 84 GLY H H 75 8.369 8.369 7.797 0.572 18221 9417 1 18 . 1 1 85 85 ALA N N 76 123.550 123.550 124.548 -0.998 18221 9418 1 18 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.019 0.075 18221 9419 1 18 . 1 1 85 85 ALA CA C 76 54.598 54.598 55.016 -0.418 18221 9420 1 18 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.246 -0.623 18221 9421 1 18 . 1 1 85 85 ALA H H 76 8.115 8.115 8.049 0.066 18221 9422 1 18 . 1 1 86 86 ALA N N 77 120.410 120.410 121.086 -0.676 18221 9423 1 18 . 1 1 86 86 ALA C C 77 178.988 178.988 179.709 -0.721 18221 9424 1 18 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.212 -0.376 18221 9425 1 18 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.925 -0.415 18221 9426 1 18 . 1 1 86 86 ALA H H 77 8.632 8.632 8.244 0.388 18221 9427 1 18 . 1 1 87 87 GLY N N 78 105.706 105.706 107.471 -1.765 18221 9428 1 18 . 1 1 87 87 GLY C C 78 175.939 175.939 176.162 -0.223 18221 9429 1 18 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.985 -0.867 18221 9430 1 18 . 1 1 87 87 GLY H H 78 8.196 8.196 7.883 0.313 18221 9431 1 18 . 1 1 88 88 LEU N N 79 124.128 124.128 121.434 2.694 18221 9432 1 18 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.476 -0.074 18221 9433 1 18 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.939 -1.552 18221 9434 1 18 . 1 1 88 88 LEU H H 79 8.449 8.449 8.228 0.221 18221 9435 1 18 . 1 1 89 89 SER N N 80 116.251 116.251 114.826 1.425 18221 9436 1 18 . 1 1 89 89 SER C C 80 179.153 179.153 176.388 2.765 18221 9437 1 18 . 1 1 89 89 SER CA C 80 61.023 61.023 62.503 -1.480 18221 9438 1 18 . 1 1 89 89 SER CB C 80 62.255 62.255 63.096 -0.841 18221 9439 1 18 . 1 1 89 89 SER H H 80 8.120 8.120 8.190 -0.070 18221 9440 1 18 . 1 1 90 90 VAL N N 81 119.310 119.310 121.444 -2.134 18221 9441 1 18 . 1 1 90 90 VAL C C 81 177.652 177.652 178.423 -0.771 18221 9442 1 18 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.993 -0.917 18221 9443 1 18 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.742 0.588 18221 9444 1 18 . 1 1 90 90 VAL H H 81 7.955 7.955 8.292 -0.337 18221 9445 1 18 . 1 1 91 91 THR N N 82 115.535 115.535 116.729 -1.194 18221 9446 1 18 . 1 1 91 91 THR C C 82 176.571 176.571 176.614 -0.043 18221 9447 1 18 . 1 1 91 91 THR CA C 82 66.434 66.434 66.170 0.264 18221 9448 1 18 . 1 1 91 91 THR CB C 82 67.742 67.742 68.169 -0.427 18221 9449 1 18 . 1 1 91 91 THR H H 82 7.888 7.888 8.469 -0.581 18221 9450 1 18 . 1 1 92 92 SER N N 83 116.537 116.537 117.778 -1.241 18221 9451 1 18 . 1 1 92 92 SER HA H 83 4.040 4.040 4.031 0.009 18221 9452 1 18 . 1 1 92 92 SER C C 83 176.761 176.761 176.499 0.262 18221 9453 1 18 . 1 1 92 92 SER CA C 83 61.564 61.564 61.651 -0.087 18221 9454 1 18 . 1 1 92 92 SER CB C 83 62.009 62.009 63.129 -1.120 18221 9455 1 18 . 1 1 92 92 SER H H 83 8.212 8.212 8.050 0.162 18221 9456 1 18 . 1 1 93 93 LYS N N 84 122.353 122.353 121.130 1.223 18221 9457 1 18 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.013 0.106 18221 9458 1 18 . 1 1 93 93 LYS C C 84 172.812 172.812 178.930 -6.118 18221 9459 1 18 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.397 -0.962 18221 9460 1 18 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.504 -1.027 18221 9461 1 18 . 1 1 93 93 LYS H H 84 7.642 7.642 8.076 -0.434 18221 9462 1 18 . 1 1 94 94 VAL N N 85 119.348 119.348 118.439 0.909 18221 9463 1 18 . 1 1 94 94 VAL C C 85 177.948 177.948 177.265 0.683 18221 9464 1 18 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.470 -0.081 18221 9465 1 18 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.892 -0.046 18221 9466 1 18 . 1 1 94 94 VAL H H 85 8.414 8.414 7.845 0.569 18221 9467 1 18 . 1 1 95 95 ILE N N 86 118.769 118.769 116.132 2.637 18221 9468 1 18 . 1 1 95 95 ILE C C 86 177.972 177.972 176.703 1.269 18221 9469 1 18 . 1 1 95 95 ILE CA C 86 63.837 63.837 61.824 2.013 18221 9470 1 18 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.664 -2.032 18221 9471 1 18 . 1 1 95 95 ILE H H 86 8.169 8.169 7.730 0.439 18221 9472 1 18 . 1 1 96 96 GLY N N 87 107.955 107.955 105.875 2.080 18221 9473 1 18 . 1 1 96 96 GLY C C 87 176.571 176.571 174.300 2.271 18221 9474 1 18 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.682 1.829 18221 9475 1 18 . 1 1 96 96 GLY H H 87 8.182 8.182 8.424 -0.242 18221 9476 1 18 . 1 1 97 97 GLY N N 88 109.117 109.117 108.808 0.309 18221 9477 1 18 . 1 1 97 97 GLY C C 88 175.524 175.524 174.810 0.714 18221 9478 1 18 . 1 1 97 97 GLY CA C 88 45.832 45.832 44.956 0.876 18221 9479 1 18 . 1 1 97 97 GLY H H 88 7.953 7.953 7.936 0.017 18221 9480 1 18 . 1 1 98 98 PHE N N 89 121.100 121.100 124.615 -3.515 18221 9481 1 18 . 1 1 98 98 PHE C C 89 176.367 176.367 174.902 1.465 18221 9482 1 18 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.802 -1.902 18221 9483 1 18 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.821 0.011 18221 9484 1 18 . 1 1 98 98 PHE H H 89 8.000 8.000 8.809 -0.809 18221 9485 1 18 . 1 1 99 99 ALA N N 90 122.834 122.834 128.687 -5.853 18221 9486 1 18 . 1 1 99 99 ALA C C 90 178.348 178.348 176.015 2.333 18221 9487 1 18 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.791 3.486 18221 9488 1 18 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.566 -3.152 18221 9489 1 18 . 1 1 99 99 ALA H H 90 8.322 8.322 7.895 0.427 18221 9490 1 18 . 1 1 100 100 GLY N N 91 106.688 106.688 109.372 -2.684 18221 9491 1 18 . 1 1 100 100 GLY C C 91 175.878 175.878 174.839 1.039 18221 9492 1 18 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.849 -0.223 18221 9493 1 18 . 1 1 100 100 GLY H H 91 8.000 8.000 8.561 -0.561 18221 9494 1 18 . 1 1 101 101 THR N N 92 115.689 115.689 118.579 -2.890 18221 9495 1 18 . 1 1 101 101 THR C C 92 178.476 178.476 174.308 4.168 18221 9496 1 18 . 1 1 101 101 THR CA C 92 63.364 63.364 61.901 1.463 18221 9497 1 18 . 1 1 101 101 THR CB C 92 69.619 69.619 69.647 -0.027 18221 9498 1 18 . 1 1 101 101 THR H H 92 7.754 7.754 8.060 -0.306 18221 9499 1 18 . 1 1 102 102 ALA N N 93 124.835 124.835 128.154 -3.319 18221 9500 1 18 . 1 1 102 102 ALA CA C 93 54.311 54.311 51.205 3.107 18221 9501 1 18 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.478 -1.799 18221 9502 1 18 . 1 1 102 102 ALA H H 93 7.919 7.919 8.085 -0.166 18221 9503 1 18 . 1 1 103 103 LEU N N 94 117.445 117.445 119.523 -2.078 18221 9504 1 18 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.637 1.145 18221 9505 1 18 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.459 -0.557 18221 9506 1 18 . 1 1 103 103 LEU H H 94 8.037 8.037 7.951 0.086 18221 9507 1 18 . 1 1 104 104 GLY N N 95 106.296 106.296 107.602 -1.306 18221 9508 1 18 . 1 1 104 104 GLY C C 95 175.851 175.851 173.373 2.478 18221 9509 1 18 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.377 2.192 18221 9510 1 18 . 1 1 104 104 GLY H H 95 7.900 7.900 8.588 -0.688 18221 9511 1 18 . 1 1 105 105 ALA N N 96 123.872 123.872 122.261 1.611 18221 9512 1 18 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.106 2.020 18221 9513 1 18 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.312 -0.725 18221 9514 1 18 . 1 1 105 105 ALA H H 96 7.804 7.804 8.194 -0.390 18221 9515 1 18 . 1 1 106 106 TRP N N 97 120.348 120.348 117.713 2.635 18221 9516 1 18 . 1 1 106 106 TRP C C 97 176.857 176.857 176.787 0.070 18221 9517 1 18 . 1 1 106 106 TRP CA C 97 56.900 56.900 58.182 -1.282 18221 9518 1 18 . 1 1 106 106 TRP H H 97 8.385 8.385 8.378 0.007 18221 9519 1 18 . 1 1 107 107 LEU N N 98 117.756 117.756 117.635 0.121 18221 9520 1 18 . 1 1 107 107 LEU C C 98 177.659 177.659 176.148 1.511 18221 9521 1 18 . 1 1 107 107 LEU CA C 98 55.103 55.103 57.589 -2.486 18221 9522 1 18 . 1 1 107 107 LEU CB C 98 41.418 41.418 41.130 0.288 18221 9523 1 18 . 1 1 107 107 LEU H H 98 7.880 7.880 8.229 -0.349 18221 9524 1 18 . 1 1 108 108 GLY N N 99 107.285 107.285 107.744 -0.459 18221 9525 1 18 . 1 1 108 108 GLY C C 99 173.815 173.815 173.639 0.176 18221 9526 1 18 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.558 0.389 18221 9527 1 18 . 1 1 108 108 GLY H H 99 7.694 7.694 8.366 -0.672 18221 9528 1 18 . 1 1 109 109 SER N N 100 117.139 117.139 116.217 0.922 18221 9529 1 18 . 1 1 109 109 SER C C 100 172.179 172.179 172.349 -0.170 18221 9530 1 18 . 1 1 109 109 SER CA C 100 56.015 56.015 57.853 -1.838 18221 9531 1 18 . 1 1 109 109 SER CB C 100 62.771 62.771 63.389 -0.618 18221 9532 1 18 . 1 1 109 109 SER H H 100 8.030 8.030 8.160 -0.130 18221 9533 1 18 . 1 1 111 111 PRO C C 102 177.073 177.073 176.451 0.622 18221 9534 1 18 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.836 -0.637 18221 9535 1 18 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.068 -0.857 18221 9536 1 18 . 1 1 112 112 SER N N 103 117.115 117.115 119.009 -1.894 18221 9537 1 18 . 1 1 112 112 SER C C 103 173.898 173.898 173.940 -0.042 18221 9538 1 18 . 1 1 112 112 SER CA C 103 57.904 57.904 57.624 0.280 18221 9539 1 18 . 1 1 112 112 SER CB C 103 63.360 63.360 64.945 -1.585 18221 9540 1 18 . 1 1 112 112 SER H H 103 8.345 8.345 8.363 -0.018 18221 9541 1 19 . 1 1 11 11 GLY N N 2 109.366 109.366 110.462 -1.096 18221 9542 1 19 . 1 1 11 11 GLY C C 2 174.543 174.543 173.372 1.171 18221 9543 1 19 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.824 0.871 18221 9544 1 19 . 1 1 11 11 GLY H H 2 8.271 8.271 8.735 -0.464 18221 9545 1 19 . 1 1 12 12 LYS N N 3 121.129 121.129 119.453 1.676 18221 9546 1 19 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.595 -0.463 18221 9547 1 19 . 1 1 12 12 LYS C C 3 177.234 177.234 176.433 0.801 18221 9548 1 19 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.944 -0.133 18221 9549 1 19 . 1 1 12 12 LYS CB C 3 31.846 31.846 33.483 -1.637 18221 9550 1 19 . 1 1 12 12 LYS H H 3 8.057 8.057 8.608 -0.551 18221 9551 1 19 . 1 1 13 13 GLU N N 4 120.318 120.318 118.929 1.389 18221 9552 1 19 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.444 -0.289 18221 9553 1 19 . 1 1 13 13 GLU C C 4 176.857 176.857 174.878 1.979 18221 9554 1 19 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.559 0.312 18221 9555 1 19 . 1 1 13 13 GLU CB C 4 28.388 28.388 31.189 -2.801 18221 9556 1 19 . 1 1 13 13 GLU H H 4 8.398 8.398 8.369 0.029 18221 9557 1 19 . 1 1 14 14 SER N N 5 115.504 115.504 119.050 -3.546 18221 9558 1 19 . 1 1 14 14 SER HA H 5 3.843 3.843 4.546 -0.703 18221 9559 1 19 . 1 1 14 14 SER C C 5 175.337 175.337 172.960 2.377 18221 9560 1 19 . 1 1 14 14 SER CA C 5 58.524 58.524 58.929 -0.406 18221 9561 1 19 . 1 1 14 14 SER CB C 5 63.360 63.360 64.125 -0.765 18221 9562 1 19 . 1 1 14 14 SER H H 5 8.089 8.089 8.765 -0.676 18221 9563 1 19 . 1 1 15 15 GLY N N 6 110.761 110.761 108.607 2.154 18221 9564 1 19 . 1 1 15 15 GLY C C 6 174.581 174.581 173.457 1.124 18221 9565 1 19 . 1 1 15 15 GLY CA C 6 45.566 45.566 44.745 0.821 18221 9566 1 19 . 1 1 15 15 GLY H H 6 8.197 8.197 8.149 0.048 18221 9567 1 19 . 1 1 16 16 TRP N N 7 121.800 121.800 122.938 -1.138 18221 9568 1 19 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.744 -0.184 18221 9569 1 19 . 1 1 16 16 TRP C C 7 176.920 176.920 175.144 1.776 18221 9570 1 19 . 1 1 16 16 TRP CA C 7 58.081 58.081 58.157 -0.076 18221 9571 1 19 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.972 -1.293 18221 9572 1 19 . 1 1 16 16 TRP H H 7 8.184 8.184 8.157 0.027 18221 9573 1 19 . 1 1 17 17 ASP N N 8 121.132 121.132 121.035 0.097 18221 9574 1 19 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.659 -0.264 18221 9575 1 19 . 1 1 17 17 ASP C C 8 176.941 176.941 174.946 1.995 18221 9576 1 19 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.533 2.711 18221 9577 1 19 . 1 1 17 17 ASP CB C 8 39.945 39.945 40.692 -0.747 18221 9578 1 19 . 1 1 17 17 ASP H H 8 8.332 8.332 8.099 0.233 18221 9579 1 19 . 1 1 18 18 SER N N 9 116.148 116.148 117.161 -1.013 18221 9580 1 19 . 1 1 18 18 SER HA H 9 3.861 3.861 4.729 -0.868 18221 9581 1 19 . 1 1 18 18 SER CA C 9 60.081 60.081 57.490 2.591 18221 9582 1 19 . 1 1 18 18 SER CB C 9 62.255 62.255 65.089 -2.834 18221 9583 1 19 . 1 1 18 18 SER H H 9 8.129 8.129 8.211 -0.082 18221 9584 1 19 . 1 1 19 19 GLY N N 10 110.747 110.747 111.484 -0.737 18221 9585 1 19 . 1 1 19 19 GLY C C 10 174.682 174.682 175.642 -0.960 18221 9586 1 19 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.216 1.384 18221 9587 1 19 . 1 1 19 19 GLY H H 10 8.216 8.216 8.497 -0.281 18221 9588 1 19 . 1 1 20 20 ARG N N 11 121.405 121.405 120.699 0.706 18221 9589 1 19 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.192 -0.335 18221 9590 1 19 . 1 1 20 20 ARG C C 11 178.328 178.328 178.929 -0.601 18221 9591 1 19 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.215 0.870 18221 9592 1 19 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.342 -1.295 18221 9593 1 19 . 1 1 20 20 ARG H H 11 8.158 8.158 8.442 -0.284 18221 9594 1 19 . 1 1 21 21 ALA N N 12 122.167 122.167 122.309 -0.142 18221 9595 1 19 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.076 0.024 18221 9596 1 19 . 1 1 21 21 ALA C C 12 180.129 180.129 179.425 0.704 18221 9597 1 19 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.678 -0.286 18221 9598 1 19 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.999 -0.585 18221 9599 1 19 . 1 1 21 21 ALA H H 12 7.963 7.963 8.379 -0.416 18221 9600 1 19 . 1 1 22 22 ALA N N 13 122.150 122.150 121.676 0.474 18221 9601 1 19 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.972 0.065 18221 9602 1 19 . 1 1 22 22 ALA C C 13 179.095 179.095 179.877 -0.782 18221 9603 1 19 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.952 -0.236 18221 9604 1 19 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.127 -0.566 18221 9605 1 19 . 1 1 22 22 ALA H H 13 7.881 7.881 8.311 -0.430 18221 9606 1 19 . 1 1 23 23 VAL N N 14 117.107 117.107 118.820 -1.713 18221 9607 1 19 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.601 -0.121 18221 9608 1 19 . 1 1 23 23 VAL C C 14 177.586 177.586 178.297 -0.711 18221 9609 1 19 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.208 0.990 18221 9610 1 19 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.545 -0.025 18221 9611 1 19 . 1 1 23 23 VAL H H 14 7.888 7.888 8.159 -0.271 18221 9612 1 19 . 1 1 24 24 ALA N N 15 121.333 121.333 121.839 -0.506 18221 9613 1 19 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.975 0.006 18221 9614 1 19 . 1 1 24 24 ALA C C 15 180.373 180.373 179.434 0.939 18221 9615 1 19 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.229 -0.218 18221 9616 1 19 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.813 -0.561 18221 9617 1 19 . 1 1 24 24 ALA H H 15 8.037 8.037 7.650 0.387 18221 9618 1 19 . 1 1 25 25 ALA N N 16 121.158 121.158 119.532 1.626 18221 9619 1 19 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.173 -0.027 18221 9620 1 19 . 1 1 25 25 ALA C C 16 179.828 179.828 178.830 0.998 18221 9621 1 19 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.751 -0.300 18221 9622 1 19 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.563 -1.076 18221 9623 1 19 . 1 1 25 25 ALA H H 16 7.819 7.819 7.929 -0.110 18221 9624 1 19 . 1 1 26 26 VAL N N 17 118.417 118.417 116.904 1.513 18221 9625 1 19 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.887 -0.109 18221 9626 1 19 . 1 1 26 26 VAL C C 17 178.020 178.020 177.109 0.911 18221 9627 1 19 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.261 1.317 18221 9628 1 19 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.992 -0.907 18221 9629 1 19 . 1 1 26 26 VAL H H 17 7.848 7.848 7.288 0.560 18221 9630 1 19 . 1 1 27 27 VAL N N 18 119.240 119.240 119.429 -0.189 18221 9631 1 19 . 1 1 27 27 VAL C C 18 177.719 177.719 176.790 0.929 18221 9632 1 19 . 1 1 27 27 VAL CA C 18 65.991 65.991 65.186 0.805 18221 9633 1 19 . 1 1 27 27 VAL CB C 18 30.187 30.187 31.881 -1.694 18221 9634 1 19 . 1 1 27 27 VAL H H 18 8.377 8.377 7.523 0.854 18221 9635 1 19 . 1 1 28 28 GLY N N 19 106.009 106.009 108.219 -2.210 18221 9636 1 19 . 1 1 28 28 GLY C C 19 176.212 176.212 174.503 1.709 18221 9637 1 19 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.347 -0.103 18221 9638 1 19 . 1 1 28 28 GLY H H 19 8.122 8.122 7.781 0.341 18221 9639 1 19 . 1 1 29 29 GLY N N 20 110.216 110.216 112.506 -2.290 18221 9640 1 19 . 1 1 29 29 GLY C C 20 174.097 174.097 175.151 -1.054 18221 9641 1 19 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.563 1.771 18221 9642 1 19 . 1 1 29 29 GLY H H 20 8.039 8.039 7.741 0.298 18221 9643 1 19 . 1 1 30 30 VAL N N 21 121.188 121.188 120.558 0.630 18221 9644 1 19 . 1 1 30 30 VAL C C 21 177.073 177.073 177.593 -0.520 18221 9645 1 19 . 1 1 30 30 VAL CA C 21 62.574 62.574 66.240 -3.666 18221 9646 1 19 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.761 -0.971 18221 9647 1 19 . 1 1 30 30 VAL H H 21 7.983 7.983 7.905 0.078 18221 9648 1 19 . 1 1 32 32 ALA N N 23 125.091 125.091 122.016 3.075 18221 9649 1 19 . 1 1 32 32 ALA HA H 23 4.260 4.260 3.980 0.280 18221 9650 1 19 . 1 1 32 32 ALA C C 23 179.523 179.523 179.859 -0.336 18221 9651 1 19 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.199 -1.516 18221 9652 1 19 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.029 -1.646 18221 9653 1 19 . 1 1 32 32 ALA H H 23 8.036 8.036 7.885 0.151 18221 9654 1 19 . 1 1 33 33 VAL N N 24 118.793 118.793 117.621 1.172 18221 9655 1 19 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.726 -0.018 18221 9656 1 19 . 1 1 33 33 VAL C C 24 177.901 177.901 177.876 0.025 18221 9657 1 19 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.254 0.176 18221 9658 1 19 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.581 -0.263 18221 9659 1 19 . 1 1 33 33 VAL H H 24 8.195 8.195 8.271 -0.076 18221 9660 1 19 . 1 1 34 34 GLY N N 25 108.367 108.367 108.336 0.031 18221 9661 1 19 . 1 1 34 34 GLY C C 25 175.424 175.424 175.524 -0.100 18221 9662 1 19 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.627 -0.293 18221 9663 1 19 . 1 1 34 34 GLY H H 25 8.651 8.651 8.264 0.387 18221 9664 1 19 . 1 1 35 35 THR N N 26 116.448 116.448 119.905 -3.457 18221 9665 1 19 . 1 1 35 35 THR C C 26 176.843 176.843 176.942 -0.099 18221 9666 1 19 . 1 1 35 35 THR CA C 26 65.962 65.962 67.423 -1.461 18221 9667 1 19 . 1 1 35 35 THR CB C 26 68.414 68.414 68.851 -0.437 18221 9668 1 19 . 1 1 35 35 THR H H 26 7.975 7.975 8.404 -0.429 18221 9669 1 19 . 1 1 36 36 VAL N N 27 122.810 122.810 121.313 1.497 18221 9670 1 19 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.597 0.122 18221 9671 1 19 . 1 1 36 36 VAL C C 27 177.618 177.618 177.592 0.026 18221 9672 1 19 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.861 -1.135 18221 9673 1 19 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.475 -0.808 18221 9674 1 19 . 1 1 36 36 VAL H H 27 7.559 7.559 8.076 -0.517 18221 9675 1 19 . 1 1 37 37 LEU N N 28 119.566 119.566 121.009 -1.443 18221 9676 1 19 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.984 -0.031 18221 9677 1 19 . 1 1 37 37 LEU C C 28 179.666 179.666 178.639 1.027 18221 9678 1 19 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.318 -0.473 18221 9679 1 19 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.867 -1.701 18221 9680 1 19 . 1 1 37 37 LEU H H 28 8.086 8.086 7.880 0.206 18221 9681 1 19 . 1 1 38 38 VAL N N 29 119.468 119.468 118.442 1.026 18221 9682 1 19 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.426 0.227 18221 9683 1 19 . 1 1 38 38 VAL C C 29 178.639 178.639 177.969 0.670 18221 9684 1 19 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.581 -1.108 18221 9685 1 19 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.340 -0.731 18221 9686 1 19 . 1 1 38 38 VAL H H 29 8.066 8.066 8.432 -0.366 18221 9687 1 19 . 1 1 39 39 ALA N N 30 124.255 124.255 122.083 2.172 18221 9688 1 19 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.284 -0.119 18221 9689 1 19 . 1 1 39 39 ALA C C 30 180.303 180.303 179.956 0.347 18221 9690 1 19 . 1 1 39 39 ALA CA C 30 54.834 54.834 54.633 0.201 18221 9691 1 19 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.769 -1.061 18221 9692 1 19 . 1 1 39 39 ALA H H 30 7.688 7.688 7.785 -0.097 18221 9693 1 19 . 1 1 40 40 LEU N N 31 118.268 118.268 119.135 -0.867 18221 9694 1 19 . 1 1 40 40 LEU HA H 31 4.141 4.141 3.924 0.217 18221 9695 1 19 . 1 1 40 40 LEU C C 31 179.271 179.271 178.978 0.293 18221 9696 1 19 . 1 1 40 40 LEU CA C 31 57.078 57.078 58.180 -1.102 18221 9697 1 19 . 1 1 40 40 LEU CB C 31 40.902 40.902 42.067 -1.165 18221 9698 1 19 . 1 1 40 40 LEU H H 31 8.326 8.326 8.144 0.182 18221 9699 1 19 . 1 1 41 41 SER N N 32 114.984 114.984 113.211 1.773 18221 9700 1 19 . 1 1 41 41 SER HA H 32 3.952 3.952 4.276 -0.324 18221 9701 1 19 . 1 1 41 41 SER C C 32 176.284 176.284 175.099 1.185 18221 9702 1 19 . 1 1 41 41 SER CA C 32 60.885 60.885 60.544 0.341 18221 9703 1 19 . 1 1 41 41 SER CB C 32 62.410 62.410 63.793 -1.383 18221 9704 1 19 . 1 1 41 41 SER H H 32 8.062 8.062 8.215 -0.153 18221 9705 1 19 . 1 1 42 42 ALA N N 33 124.588 124.588 123.752 0.836 18221 9706 1 19 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.526 -0.301 18221 9707 1 19 . 1 1 42 42 ALA C C 33 179.033 179.033 176.875 2.158 18221 9708 1 19 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.193 2.520 18221 9709 1 19 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.571 -0.642 18221 9710 1 19 . 1 1 42 42 ALA H H 33 7.813 7.813 7.984 -0.171 18221 9711 1 19 . 1 1 43 43 MET N N 34 116.808 116.808 126.220 -9.412 18221 9712 1 19 . 1 1 43 43 MET HA H 34 4.285 4.285 4.433 -0.148 18221 9713 1 19 . 1 1 43 43 MET C C 34 176.807 176.807 176.525 0.282 18221 9714 1 19 . 1 1 43 43 MET CA C 34 56.576 56.576 55.120 1.456 18221 9715 1 19 . 1 1 43 43 MET CB C 34 32.435 32.435 31.416 1.019 18221 9716 1 19 . 1 1 43 43 MET H H 34 7.691 7.691 8.572 -0.881 18221 9717 1 19 . 1 1 44 44 GLY N N 35 107.020 107.020 108.453 -1.433 18221 9718 1 19 . 1 1 44 44 GLY C C 35 174.493 174.493 173.571 0.922 18221 9719 1 19 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.932 0.133 18221 9720 1 19 . 1 1 44 44 GLY H H 35 7.793 7.793 8.084 -0.291 18221 9721 1 19 . 1 1 45 45 PHE N N 36 120.285 120.285 117.885 2.400 18221 9722 1 19 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.800 -0.293 18221 9723 1 19 . 1 1 45 45 PHE C C 36 176.876 176.876 175.304 1.572 18221 9724 1 19 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.051 1.886 18221 9725 1 19 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.872 -1.694 18221 9726 1 19 . 1 1 45 45 PHE H H 36 8.215 8.215 7.890 0.325 18221 9727 1 19 . 1 1 46 46 THR N N 37 114.008 114.008 116.131 -2.123 18221 9728 1 19 . 1 1 46 46 THR HA H 37 4.080 4.080 4.431 -0.351 18221 9729 1 19 . 1 1 46 46 THR C C 37 175.751 175.751 174.490 1.261 18221 9730 1 19 . 1 1 46 46 THR CA C 37 64.220 64.220 62.905 1.315 18221 9731 1 19 . 1 1 46 46 THR CB C 37 68.514 68.514 69.623 -1.109 18221 9732 1 19 . 1 1 46 46 THR H H 37 8.111 8.111 8.541 -0.430 18221 9733 1 19 . 1 1 47 47 SER N N 38 116.646 116.646 112.708 3.938 18221 9734 1 19 . 1 1 47 47 SER HA H 38 3.918 3.918 4.405 -0.487 18221 9735 1 19 . 1 1 47 47 SER C C 38 176.744 176.744 176.112 0.632 18221 9736 1 19 . 1 1 47 47 SER CA C 38 59.911 59.911 59.655 0.256 18221 9737 1 19 . 1 1 47 47 SER CB C 38 62.624 62.624 62.899 -0.275 18221 9738 1 19 . 1 1 47 47 SER H H 38 8.079 8.079 8.263 -0.184 18221 9739 1 19 . 1 1 48 48 VAL N N 39 121.929 121.929 123.682 -1.753 18221 9740 1 19 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.617 0.292 18221 9741 1 19 . 1 1 48 48 VAL C C 39 177.033 177.033 177.141 -0.108 18221 9742 1 19 . 1 1 48 48 VAL CA C 39 64.988 64.988 66.954 -1.966 18221 9743 1 19 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.728 -1.061 18221 9744 1 19 . 1 1 48 48 VAL H H 39 7.985 7.985 7.645 0.340 18221 9745 1 19 . 1 1 49 49 GLY N N 40 108.633 108.633 107.645 0.988 18221 9746 1 19 . 1 1 49 49 GLY C C 40 176.038 176.038 175.932 0.106 18221 9747 1 19 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.901 -1.036 18221 9748 1 19 . 1 1 49 49 GLY H H 40 8.267 8.267 8.475 -0.208 18221 9749 1 19 . 1 1 50 50 ILE N N 41 122.466 122.466 119.918 2.548 18221 9750 1 19 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.678 0.193 18221 9751 1 19 . 1 1 50 50 ILE C C 41 178.363 178.363 177.676 0.687 18221 9752 1 19 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.869 -0.354 18221 9753 1 19 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.272 -0.034 18221 9754 1 19 . 1 1 50 50 ILE H H 41 7.865 7.865 7.930 -0.065 18221 9755 1 19 . 1 1 51 51 ALA N N 42 125.064 125.064 122.309 2.755 18221 9756 1 19 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.846 0.253 18221 9757 1 19 . 1 1 51 51 ALA C C 42 179.385 179.385 179.312 0.073 18221 9758 1 19 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.215 -0.735 18221 9759 1 19 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.835 -0.348 18221 9760 1 19 . 1 1 51 51 ALA H H 42 7.930 7.930 8.259 -0.329 18221 9761 1 19 . 1 1 52 52 ALA N N 43 120.594 120.594 120.055 0.539 18221 9762 1 19 . 1 1 52 52 ALA HA H 43 3.937 3.937 3.996 -0.059 18221 9763 1 19 . 1 1 52 52 ALA C C 43 179.088 179.088 180.245 -1.157 18221 9764 1 19 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.940 0.160 18221 9765 1 19 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.931 -0.296 18221 9766 1 19 . 1 1 52 52 ALA H H 43 8.639 8.639 8.155 0.484 18221 9767 1 19 . 1 1 53 53 SER N N 44 113.012 113.012 114.586 -1.574 18221 9768 1 19 . 1 1 53 53 SER HA H 44 3.966 3.966 4.214 -0.248 18221 9769 1 19 . 1 1 53 53 SER C C 44 176.898 176.898 176.982 -0.084 18221 9770 1 19 . 1 1 53 53 SER CA C 44 61.139 61.139 62.038 -0.899 18221 9771 1 19 . 1 1 53 53 SER CB C 44 62.347 62.347 62.845 -0.498 18221 9772 1 19 . 1 1 53 53 SER H H 44 8.193 8.193 8.147 0.046 18221 9773 1 19 . 1 1 54 54 SER N N 45 118.714 118.714 119.267 -0.553 18221 9774 1 19 . 1 1 54 54 SER HA H 45 3.975 3.975 4.212 -0.237 18221 9775 1 19 . 1 1 54 54 SER C C 45 177.131 177.131 176.415 0.716 18221 9776 1 19 . 1 1 54 54 SER CA C 45 61.210 61.210 62.056 -0.846 18221 9777 1 19 . 1 1 54 54 SER CB C 45 62.255 62.255 63.171 -0.916 18221 9778 1 19 . 1 1 54 54 SER H H 45 7.944 7.944 8.202 -0.258 18221 9779 1 19 . 1 1 55 55 ILE N N 46 122.912 122.912 121.987 0.925 18221 9780 1 19 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.717 0.040 18221 9781 1 19 . 1 1 55 55 ILE C C 46 177.813 177.813 177.113 0.700 18221 9782 1 19 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.255 -0.064 18221 9783 1 19 . 1 1 55 55 ILE CB C 46 36.926 36.926 38.163 -1.237 18221 9784 1 19 . 1 1 55 55 ILE H H 46 8.028 8.028 8.446 -0.418 18221 9785 1 19 . 1 1 56 56 ALA N N 47 122.990 122.990 121.945 1.045 18221 9786 1 19 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.035 -0.079 18221 9787 1 19 . 1 1 56 56 ALA C C 47 180.294 180.294 178.750 1.544 18221 9788 1 19 . 1 1 56 56 ALA CA C 47 54.338 54.338 53.927 0.411 18221 9789 1 19 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.624 -0.922 18221 9790 1 19 . 1 1 56 56 ALA H H 47 8.333 8.333 7.838 0.495 18221 9791 1 19 . 1 1 57 57 ALA N N 48 121.988 121.988 121.876 0.112 18221 9792 1 19 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.084 -0.016 18221 9793 1 19 . 1 1 57 57 ALA CA C 48 54.421 54.421 52.946 1.475 18221 9794 1 19 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.246 -1.544 18221 9795 1 19 . 1 1 57 57 ALA H H 48 7.879 7.879 7.840 0.039 18221 9796 1 19 . 1 1 58 58 LYS N N 49 119.094 119.094 115.247 3.847 18221 9797 1 19 . 1 1 58 58 LYS HA H 49 4.146 4.146 3.985 0.161 18221 9798 1 19 . 1 1 58 58 LYS C C 49 179.649 179.649 174.964 4.685 18221 9799 1 19 . 1 1 58 58 LYS CA C 49 57.157 57.157 57.178 -0.021 18221 9800 1 19 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.816 -1.486 18221 9801 1 19 . 1 1 58 58 LYS H H 49 7.727 7.727 8.368 -0.641 18221 9802 1 19 . 1 1 59 59 MET N N 50 120.498 120.498 123.750 -3.252 18221 9803 1 19 . 1 1 59 59 MET HA H 50 4.156 4.156 4.522 -0.366 18221 9804 1 19 . 1 1 59 59 MET C C 50 177.949 177.949 174.204 3.745 18221 9805 1 19 . 1 1 59 59 MET CA C 50 57.136 57.136 55.300 1.836 18221 9806 1 19 . 1 1 59 59 MET CB C 50 31.922 31.922 33.364 -1.442 18221 9807 1 19 . 1 1 59 59 MET H H 50 8.395 8.395 8.501 -0.106 18221 9808 1 19 . 1 1 60 60 MET N N 51 117.689 117.689 123.627 -5.938 18221 9809 1 19 . 1 1 60 60 MET HA H 51 4.222 4.222 4.796 -0.574 18221 9810 1 19 . 1 1 60 60 MET C C 51 177.674 177.674 175.253 2.421 18221 9811 1 19 . 1 1 60 60 MET CA C 51 57.638 57.638 55.536 2.102 18221 9812 1 19 . 1 1 60 60 MET CB C 51 31.785 31.785 33.106 -1.321 18221 9813 1 19 . 1 1 60 60 MET H H 51 8.234 8.234 8.264 -0.030 18221 9814 1 19 . 1 1 61 61 SER N N 52 114.385 114.385 120.017 -5.632 18221 9815 1 19 . 1 1 61 61 SER HA H 52 4.001 4.001 4.512 -0.511 18221 9816 1 19 . 1 1 61 61 SER C C 52 176.079 176.079 173.859 2.220 18221 9817 1 19 . 1 1 61 61 SER CA C 52 59.911 59.911 59.383 0.528 18221 9818 1 19 . 1 1 61 61 SER CB C 52 62.624 62.624 64.094 -1.470 18221 9819 1 19 . 1 1 61 61 SER H H 52 7.893 7.893 8.992 -1.099 18221 9820 1 19 . 1 1 62 62 THR N N 53 117.304 117.304 119.150 -1.846 18221 9821 1 19 . 1 1 62 62 THR HA H 53 4.104 4.104 4.437 -0.333 18221 9822 1 19 . 1 1 62 62 THR C C 53 175.436 175.436 172.935 2.501 18221 9823 1 19 . 1 1 62 62 THR CA C 53 64.220 64.220 62.900 1.320 18221 9824 1 19 . 1 1 62 62 THR CB C 53 68.514 68.514 68.356 0.159 18221 9825 1 19 . 1 1 62 62 THR H H 53 7.794 7.794 8.104 -0.310 18221 9826 1 19 . 1 1 63 63 ALA N N 54 125.382 125.382 124.685 0.697 18221 9827 1 19 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.053 0.041 18221 9828 1 19 . 1 1 63 63 ALA C C 54 178.328 178.328 176.484 1.844 18221 9829 1 19 . 1 1 63 63 ALA CA C 54 54.096 54.096 53.013 1.083 18221 9830 1 19 . 1 1 63 63 ALA CB C 54 17.708 17.708 18.706 -0.998 18221 9831 1 19 . 1 1 63 63 ALA H H 54 8.204 8.204 8.165 0.039 18221 9832 1 19 . 1 1 64 64 ALA N N 55 119.929 119.929 123.386 -3.457 18221 9833 1 19 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.568 -0.443 18221 9834 1 19 . 1 1 64 64 ALA C C 55 179.183 179.183 176.073 3.110 18221 9835 1 19 . 1 1 64 64 ALA CA C 55 54.037 54.037 51.689 2.348 18221 9836 1 19 . 1 1 64 64 ALA CB C 55 17.708 17.708 18.374 -0.666 18221 9837 1 19 . 1 1 64 64 ALA H H 55 7.951 7.951 8.422 -0.471 18221 9838 1 19 . 1 1 65 65 ILE N N 56 117.016 117.016 120.786 -3.770 18221 9839 1 19 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.368 -0.418 18221 9840 1 19 . 1 1 65 65 ILE C C 56 177.222 177.222 175.196 2.026 18221 9841 1 19 . 1 1 65 65 ILE CA C 56 62.184 62.184 59.997 2.187 18221 9842 1 19 . 1 1 65 65 ILE CB C 56 37.073 37.073 40.010 -2.937 18221 9843 1 19 . 1 1 65 65 ILE H H 56 7.561 7.561 7.650 -0.089 18221 9844 1 19 . 1 1 66 66 ALA N N 57 124.191 124.191 126.328 -2.137 18221 9845 1 19 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.641 -0.464 18221 9846 1 19 . 1 1 66 66 ALA C C 57 178.190 178.190 177.103 1.087 18221 9847 1 19 . 1 1 66 66 ALA CA C 57 53.536 53.536 51.364 2.172 18221 9848 1 19 . 1 1 66 66 ALA CB C 57 17.929 17.929 20.756 -2.827 18221 9849 1 19 . 1 1 66 66 ALA H H 57 7.982 7.982 8.295 -0.313 18221 9850 1 19 . 1 1 67 67 ASN N N 58 116.132 116.132 118.121 -1.989 18221 9851 1 19 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.275 0.398 18221 9852 1 19 . 1 1 67 67 ASN C C 58 176.344 176.344 176.993 -0.649 18221 9853 1 19 . 1 1 67 67 ASN CA C 58 53.477 53.477 55.401 -1.924 18221 9854 1 19 . 1 1 67 67 ASN CB C 58 38.472 38.472 37.741 0.731 18221 9855 1 19 . 1 1 67 67 ASN H H 58 8.113 8.113 8.738 -0.625 18221 9856 1 19 . 1 1 68 68 GLY N N 59 108.808 108.808 110.066 -1.258 18221 9857 1 19 . 1 1 68 68 GLY C C 59 174.958 174.958 175.070 -0.112 18221 9858 1 19 . 1 1 68 68 GLY CA C 59 45.655 45.655 46.034 -0.379 18221 9859 1 19 . 1 1 68 68 GLY H H 59 8.152 8.152 8.341 -0.189 18221 9860 1 19 . 1 1 69 69 GLY N N 60 108.832 108.832 110.214 -1.382 18221 9861 1 19 . 1 1 69 69 GLY C C 60 174.631 174.631 175.126 -0.495 18221 9862 1 19 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.581 0.838 18221 9863 1 19 . 1 1 69 69 GLY H H 60 8.218 8.218 8.510 -0.292 18221 9864 1 19 . 1 1 70 70 GLY N N 61 108.966 108.966 108.657 0.309 18221 9865 1 19 . 1 1 70 70 GLY C C 61 174.594 174.594 173.338 1.256 18221 9866 1 19 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.877 0.484 18221 9867 1 19 . 1 1 70 70 GLY H H 61 8.175 8.175 7.878 0.297 18221 9868 1 19 . 1 1 71 71 VAL N N 62 120.209 120.209 117.120 3.089 18221 9869 1 19 . 1 1 71 71 VAL HA H 62 4.006 4.006 4.174 -0.168 18221 9870 1 19 . 1 1 71 71 VAL C C 62 176.077 176.077 176.067 0.010 18221 9871 1 19 . 1 1 71 71 VAL CA C 62 62.390 62.390 62.815 -0.425 18221 9872 1 19 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.535 -0.837 18221 9873 1 19 . 1 1 71 71 VAL H H 62 7.882 7.882 8.399 -0.517 18221 9874 1 19 . 1 1 72 72 ALA N N 63 126.966 126.966 122.349 4.617 18221 9875 1 19 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.514 -0.488 18221 9876 1 19 . 1 1 72 72 ALA C C 63 178.064 178.064 177.112 0.952 18221 9877 1 19 . 1 1 72 72 ALA CA C 63 52.503 52.503 53.307 -0.804 18221 9878 1 19 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.073 -0.848 18221 9879 1 19 . 1 1 72 72 ALA H H 63 8.237 8.237 8.058 0.179 18221 9880 1 19 . 1 1 73 73 ALA N N 64 123.432 123.432 119.279 4.153 18221 9881 1 19 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.684 -0.669 18221 9882 1 19 . 1 1 73 73 ALA C C 64 178.995 178.995 176.528 2.467 18221 9883 1 19 . 1 1 73 73 ALA CA C 64 54.421 54.421 51.429 2.991 18221 9884 1 19 . 1 1 73 73 ALA CB C 64 18.003 18.003 20.445 -2.442 18221 9885 1 19 . 1 1 73 73 ALA H H 64 8.421 8.421 7.489 0.932 18221 9886 1 19 . 1 1 74 74 GLY N N 65 105.577 105.577 107.076 -1.499 18221 9887 1 19 . 1 1 74 74 GLY C C 65 176.367 176.367 176.338 0.029 18221 9888 1 19 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.712 0.532 18221 9889 1 19 . 1 1 74 74 GLY H H 65 8.448 8.448 8.382 0.066 18221 9890 1 19 . 1 1 75 75 SER N N 66 117.656 117.656 117.815 -0.159 18221 9891 1 19 . 1 1 75 75 SER HA H 66 4.394 4.394 4.265 0.129 18221 9892 1 19 . 1 1 75 75 SER C C 66 176.329 176.329 176.848 -0.519 18221 9893 1 19 . 1 1 75 75 SER CA C 66 60.236 60.236 61.218 -0.982 18221 9894 1 19 . 1 1 75 75 SER CB C 66 62.476 62.476 62.907 -0.431 18221 9895 1 19 . 1 1 75 75 SER H H 66 7.899 7.899 8.248 -0.349 18221 9896 1 19 . 1 1 76 76 LEU N N 67 122.743 122.743 120.533 2.210 18221 9897 1 19 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.033 0.017 18221 9898 1 19 . 1 1 76 76 LEU C C 67 178.442 178.442 179.026 -0.584 18221 9899 1 19 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.810 -0.290 18221 9900 1 19 . 1 1 76 76 LEU CB C 67 40.681 40.681 40.793 -0.112 18221 9901 1 19 . 1 1 76 76 LEU H H 67 7.955 7.955 8.307 -0.352 18221 9902 1 19 . 1 1 77 77 VAL N N 68 118.400 118.400 118.904 -0.504 18221 9903 1 19 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.524 -0.053 18221 9904 1 19 . 1 1 77 77 VAL C C 68 177.297 177.297 177.675 -0.378 18221 9905 1 19 . 1 1 77 77 VAL CA C 68 66.670 66.670 67.099 -0.429 18221 9906 1 19 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.056 -0.536 18221 9907 1 19 . 1 1 77 77 VAL H H 68 8.039 8.039 8.022 0.017 18221 9908 1 19 . 1 1 78 78 ALA N N 69 121.927 121.927 122.152 -0.225 18221 9909 1 19 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.018 0.187 18221 9910 1 19 . 1 1 78 78 ALA C C 69 181.258 181.258 179.500 1.758 18221 9911 1 19 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.403 -0.421 18221 9912 1 19 . 1 1 78 78 ALA CB C 69 17.414 17.414 17.837 -0.423 18221 9913 1 19 . 1 1 78 78 ALA H H 69 7.631 7.631 7.791 -0.160 18221 9914 1 19 . 1 1 79 79 ILE N N 70 119.782 119.782 119.244 0.538 18221 9915 1 19 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.670 0.126 18221 9916 1 19 . 1 1 79 79 ILE C C 70 178.253 178.253 178.000 0.253 18221 9917 1 19 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.719 -0.367 18221 9918 1 19 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.861 -0.788 18221 9919 1 19 . 1 1 79 79 ILE H H 70 7.841 7.841 7.196 0.645 18221 9920 1 19 . 1 1 80 80 LEU N N 71 120.841 120.841 120.311 0.530 18221 9921 1 19 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.800 0.137 18221 9922 1 19 . 1 1 80 80 LEU C C 71 179.234 179.234 178.629 0.605 18221 9923 1 19 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.253 -0.408 18221 9924 1 19 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.739 -1.720 18221 9925 1 19 . 1 1 80 80 LEU H H 71 8.190 8.190 8.324 -0.134 18221 9926 1 19 . 1 1 81 81 GLN N N 72 117.558 117.558 117.963 -0.405 18221 9927 1 19 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.910 0.059 18221 9928 1 19 . 1 1 81 81 GLN C C 72 178.530 178.530 178.821 -0.291 18221 9929 1 19 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.265 -0.446 18221 9930 1 19 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.492 -1.212 18221 9931 1 19 . 1 1 81 81 GLN H H 72 8.489 8.489 8.075 0.414 18221 9932 1 19 . 1 1 82 82 SER N N 73 116.103 116.103 115.870 0.233 18221 9933 1 19 . 1 1 82 82 SER HA H 73 4.233 4.233 4.123 0.110 18221 9934 1 19 . 1 1 82 82 SER C C 73 177.243 177.243 176.711 0.532 18221 9935 1 19 . 1 1 82 82 SER CA C 73 61.044 61.044 61.747 -0.703 18221 9936 1 19 . 1 1 82 82 SER CB C 73 62.257 62.257 63.090 -0.833 18221 9937 1 19 . 1 1 82 82 SER H H 73 7.855 7.855 8.028 -0.173 18221 9938 1 19 . 1 1 83 83 VAL N N 74 120.362 120.362 121.230 -0.868 18221 9939 1 19 . 1 1 83 83 VAL C C 74 177.979 177.979 177.940 0.039 18221 9940 1 19 . 1 1 83 83 VAL CA C 74 65.106 65.106 66.213 -1.107 18221 9941 1 19 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.474 -0.733 18221 9942 1 19 . 1 1 83 83 VAL H H 74 8.030 8.030 8.242 -0.212 18221 9943 1 19 . 1 1 84 84 GLY N N 75 108.223 108.223 106.789 1.434 18221 9944 1 19 . 1 1 84 84 GLY C C 75 174.913 174.913 175.773 -0.860 18221 9945 1 19 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.517 -0.740 18221 9946 1 19 . 1 1 84 84 GLY H H 75 8.369 8.369 7.983 0.386 18221 9947 1 19 . 1 1 85 85 ALA N N 76 123.550 123.550 124.542 -0.992 18221 9948 1 19 . 1 1 85 85 ALA HA H 76 4.094 4.094 3.971 0.123 18221 9949 1 19 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.905 -0.307 18221 9950 1 19 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.457 -0.834 18221 9951 1 19 . 1 1 85 85 ALA H H 76 8.115 8.115 7.869 0.246 18221 9952 1 19 . 1 1 86 86 ALA N N 77 120.410 120.410 121.312 -0.902 18221 9953 1 19 . 1 1 86 86 ALA C C 77 178.988 178.988 179.779 -0.791 18221 9954 1 19 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.179 -0.343 18221 9955 1 19 . 1 1 86 86 ALA CB C 77 17.510 17.510 18.113 -0.603 18221 9956 1 19 . 1 1 86 86 ALA H H 77 8.632 8.632 8.477 0.155 18221 9957 1 19 . 1 1 87 87 GLY N N 78 105.706 105.706 107.519 -1.813 18221 9958 1 19 . 1 1 87 87 GLY C C 78 175.939 175.939 176.765 -0.826 18221 9959 1 19 . 1 1 87 87 GLY CA C 78 46.118 46.118 47.019 -0.901 18221 9960 1 19 . 1 1 87 87 GLY H H 78 8.196 8.196 8.250 -0.054 18221 9961 1 19 . 1 1 88 88 LEU N N 79 124.128 124.128 122.057 2.071 18221 9962 1 19 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.786 -0.384 18221 9963 1 19 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.970 -1.583 18221 9964 1 19 . 1 1 88 88 LEU H H 79 8.449 8.449 7.901 0.548 18221 9965 1 19 . 1 1 89 89 SER N N 80 116.251 116.251 114.882 1.369 18221 9966 1 19 . 1 1 89 89 SER C C 80 179.153 179.153 176.691 2.462 18221 9967 1 19 . 1 1 89 89 SER CA C 80 61.023 61.023 62.083 -1.060 18221 9968 1 19 . 1 1 89 89 SER CB C 80 62.255 62.255 62.715 -0.460 18221 9969 1 19 . 1 1 89 89 SER H H 80 8.120 8.120 8.297 -0.177 18221 9970 1 19 . 1 1 90 90 VAL N N 81 119.310 119.310 119.268 0.042 18221 9971 1 19 . 1 1 90 90 VAL C C 81 177.652 177.652 178.036 -0.384 18221 9972 1 19 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.437 -0.361 18221 9973 1 19 . 1 1 90 90 VAL CB C 81 31.330 31.330 30.617 0.713 18221 9974 1 19 . 1 1 90 90 VAL H H 81 7.955 7.955 8.134 -0.179 18221 9975 1 19 . 1 1 91 91 THR N N 82 115.535 115.535 117.604 -2.069 18221 9976 1 19 . 1 1 91 91 THR C C 82 176.571 176.571 176.743 -0.172 18221 9977 1 19 . 1 1 91 91 THR CA C 82 66.434 66.434 67.357 -0.923 18221 9978 1 19 . 1 1 91 91 THR CB C 82 67.742 67.742 68.721 -0.979 18221 9979 1 19 . 1 1 91 91 THR H H 82 7.888 7.888 8.294 -0.406 18221 9980 1 19 . 1 1 92 92 SER N N 83 116.537 116.537 117.839 -1.302 18221 9981 1 19 . 1 1 92 92 SER HA H 83 4.040 4.040 3.997 0.043 18221 9982 1 19 . 1 1 92 92 SER C C 83 176.761 176.761 176.655 0.106 18221 9983 1 19 . 1 1 92 92 SER CA C 83 61.564 61.564 62.141 -0.577 18221 9984 1 19 . 1 1 92 92 SER CB C 83 62.009 62.009 63.069 -1.060 18221 9985 1 19 . 1 1 92 92 SER H H 83 8.212 8.212 7.996 0.216 18221 9986 1 19 . 1 1 93 93 LYS N N 84 122.353 122.353 121.423 0.930 18221 9987 1 19 . 1 1 93 93 LYS HA H 84 4.119 4.119 4.000 0.118 18221 9988 1 19 . 1 1 93 93 LYS C C 84 172.812 172.812 179.202 -6.390 18221 9989 1 19 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.336 -0.901 18221 9990 1 19 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.303 -0.826 18221 9991 1 19 . 1 1 93 93 LYS H H 84 7.642 7.642 8.310 -0.668 18221 9992 1 19 . 1 1 94 94 VAL N N 85 119.348 119.348 118.498 0.850 18221 9993 1 19 . 1 1 94 94 VAL C C 85 177.948 177.948 177.128 0.820 18221 9994 1 19 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.623 -0.234 18221 9995 1 19 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.556 0.290 18221 9996 1 19 . 1 1 94 94 VAL H H 85 8.414 8.414 7.808 0.606 18221 9997 1 19 . 1 1 95 95 ILE N N 86 118.769 118.769 116.791 1.978 18221 9998 1 19 . 1 1 95 95 ILE C C 86 177.972 177.972 177.126 0.846 18221 9999 1 19 . 1 1 95 95 ILE CA C 86 63.837 63.837 62.429 1.408 18221 10000 1 19 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.372 -1.740 18221 10001 1 19 . 1 1 95 95 ILE H H 86 8.169 8.169 7.775 0.394 18221 10002 1 19 . 1 1 96 96 GLY N N 87 107.955 107.955 105.387 2.568 18221 10003 1 19 . 1 1 96 96 GLY C C 87 176.571 176.571 174.754 1.817 18221 10004 1 19 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.894 1.617 18221 10005 1 19 . 1 1 96 96 GLY H H 87 8.182 8.182 8.364 -0.182 18221 10006 1 19 . 1 1 97 97 GLY N N 88 109.117 109.117 109.863 -0.746 18221 10007 1 19 . 1 1 97 97 GLY C C 88 175.524 175.524 174.914 0.610 18221 10008 1 19 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.908 -0.076 18221 10009 1 19 . 1 1 97 97 GLY H H 88 7.953 7.953 7.760 0.193 18221 10010 1 19 . 1 1 98 98 PHE N N 89 121.100 121.100 116.379 4.721 18221 10011 1 19 . 1 1 98 98 PHE C C 89 176.367 176.367 174.676 1.691 18221 10012 1 19 . 1 1 98 98 PHE CA C 89 56.900 56.900 59.163 -2.263 18221 10013 1 19 . 1 1 98 98 PHE CB C 89 38.832 38.832 38.385 0.447 18221 10014 1 19 . 1 1 98 98 PHE H H 89 8.000 8.000 8.367 -0.367 18221 10015 1 19 . 1 1 99 99 ALA N N 90 122.834 122.834 127.926 -5.092 18221 10016 1 19 . 1 1 99 99 ALA C C 90 178.348 178.348 176.764 1.584 18221 10017 1 19 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.776 3.501 18221 10018 1 19 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.903 -3.489 18221 10019 1 19 . 1 1 99 99 ALA H H 90 8.322 8.322 7.860 0.462 18221 10020 1 19 . 1 1 100 100 GLY N N 91 106.688 106.688 107.926 -1.238 18221 10021 1 19 . 1 1 100 100 GLY C C 91 175.878 175.878 174.517 1.361 18221 10022 1 19 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.267 0.360 18221 10023 1 19 . 1 1 100 100 GLY H H 91 8.000 8.000 8.171 -0.171 18221 10024 1 19 . 1 1 101 101 THR N N 92 115.689 115.689 117.563 -1.874 18221 10025 1 19 . 1 1 101 101 THR C C 92 178.476 178.476 175.116 3.360 18221 10026 1 19 . 1 1 101 101 THR CA C 92 63.364 63.364 63.623 -0.259 18221 10027 1 19 . 1 1 101 101 THR CB C 92 69.619 69.619 68.975 0.644 18221 10028 1 19 . 1 1 101 101 THR H H 92 7.754 7.754 8.581 -0.827 18221 10029 1 19 . 1 1 102 102 ALA N N 93 124.835 124.835 121.003 3.832 18221 10030 1 19 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.085 2.226 18221 10031 1 19 . 1 1 102 102 ALA CB C 93 17.679 17.679 18.762 -1.083 18221 10032 1 19 . 1 1 102 102 ALA H H 93 7.919 7.919 7.973 -0.054 18221 10033 1 19 . 1 1 103 103 LEU N N 94 117.445 117.445 118.766 -1.321 18221 10034 1 19 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.228 1.554 18221 10035 1 19 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.448 -0.546 18221 10036 1 19 . 1 1 103 103 LEU H H 94 8.037 8.037 8.357 -0.320 18221 10037 1 19 . 1 1 104 104 GLY N N 95 106.296 106.296 109.456 -3.160 18221 10038 1 19 . 1 1 104 104 GLY C C 95 175.851 175.851 174.362 1.489 18221 10039 1 19 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.675 1.895 18221 10040 1 19 . 1 1 104 104 GLY H H 95 7.900 7.900 7.970 -0.070 18221 10041 1 19 . 1 1 105 105 ALA N N 96 123.872 123.872 121.517 2.355 18221 10042 1 19 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.825 1.301 18221 10043 1 19 . 1 1 105 105 ALA CB C 96 17.587 17.587 19.739 -2.152 18221 10044 1 19 . 1 1 105 105 ALA H H 96 7.804 7.804 8.281 -0.477 18221 10045 1 19 . 1 1 106 106 TRP N N 97 120.348 120.348 120.302 0.046 18221 10046 1 19 . 1 1 106 106 TRP C C 97 176.857 176.857 173.806 3.051 18221 10047 1 19 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.579 -0.679 18221 10048 1 19 . 1 1 106 106 TRP H H 97 8.385 8.385 7.828 0.557 18221 10049 1 19 . 1 1 107 107 LEU N N 98 117.756 117.756 127.935 -10.179 18221 10050 1 19 . 1 1 107 107 LEU C C 98 177.659 177.659 175.292 2.367 18221 10051 1 19 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.112 -0.009 18221 10052 1 19 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.680 -2.262 18221 10053 1 19 . 1 1 107 107 LEU H H 98 7.880 7.880 8.059 -0.179 18221 10054 1 19 . 1 1 108 108 GLY N N 99 107.285 107.285 109.124 -1.839 18221 10055 1 19 . 1 1 108 108 GLY C C 99 173.815 173.815 173.361 0.454 18221 10056 1 19 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.196 0.751 18221 10057 1 19 . 1 1 108 108 GLY H H 99 7.694 7.694 7.962 -0.268 18221 10058 1 19 . 1 1 109 109 SER N N 100 117.139 117.139 121.420 -4.281 18221 10059 1 19 . 1 1 109 109 SER C C 100 172.179 172.179 173.695 -1.516 18221 10060 1 19 . 1 1 109 109 SER CA C 100 56.015 56.015 57.204 -1.189 18221 10061 1 19 . 1 1 109 109 SER CB C 100 62.771 62.771 63.586 -0.815 18221 10062 1 19 . 1 1 109 109 SER H H 100 8.030 8.030 8.151 -0.121 18221 10063 1 19 . 1 1 111 111 PRO C C 102 177.073 177.073 176.725 0.348 18221 10064 1 19 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.858 -0.659 18221 10065 1 19 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.718 -0.507 18221 10066 1 19 . 1 1 112 112 SER N N 103 117.115 117.115 120.998 -3.883 18221 10067 1 19 . 1 1 112 112 SER C C 103 173.898 173.898 174.302 -0.404 18221 10068 1 19 . 1 1 112 112 SER CA C 103 57.904 57.904 58.034 -0.130 18221 10069 1 19 . 1 1 112 112 SER CB C 103 63.360 63.360 63.691 -0.331 18221 10070 1 19 . 1 1 112 112 SER H H 103 8.345 8.345 8.620 -0.275 18221 10071 1 20 . 1 1 11 11 GLY N N 2 109.366 109.366 108.365 1.001 18221 10072 1 20 . 1 1 11 11 GLY C C 2 174.543 174.543 173.209 1.334 18221 10073 1 20 . 1 1 11 11 GLY CA C 2 45.695 45.695 44.541 1.154 18221 10074 1 20 . 1 1 11 11 GLY H H 2 8.271 8.271 8.352 -0.081 18221 10075 1 20 . 1 1 12 12 LYS N N 3 121.129 121.129 119.781 1.348 18221 10076 1 20 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.188 -0.056 18221 10077 1 20 . 1 1 12 12 LYS C C 3 177.234 177.234 175.610 1.624 18221 10078 1 20 . 1 1 12 12 LYS CA C 3 56.812 56.812 57.803 -0.991 18221 10079 1 20 . 1 1 12 12 LYS CB C 3 31.846 31.846 31.925 -0.079 18221 10080 1 20 . 1 1 12 12 LYS H H 3 8.057 8.057 8.698 -0.641 18221 10081 1 20 . 1 1 13 13 GLU N N 4 120.318 120.318 120.092 0.226 18221 10082 1 20 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.338 -0.183 18221 10083 1 20 . 1 1 13 13 GLU C C 4 176.857 176.857 175.594 1.263 18221 10084 1 20 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.348 0.523 18221 10085 1 20 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.450 -2.062 18221 10086 1 20 . 1 1 13 13 GLU H H 4 8.398 8.398 8.408 -0.010 18221 10087 1 20 . 1 1 14 14 SER N N 5 115.504 115.504 115.187 0.317 18221 10088 1 20 . 1 1 14 14 SER HA H 5 3.843 3.843 4.423 -0.580 18221 10089 1 20 . 1 1 14 14 SER C C 5 175.337 175.337 174.282 1.055 18221 10090 1 20 . 1 1 14 14 SER CA C 5 58.524 58.524 58.548 -0.024 18221 10091 1 20 . 1 1 14 14 SER CB C 5 63.360 63.360 63.346 0.014 18221 10092 1 20 . 1 1 14 14 SER H H 5 8.089 8.089 8.193 -0.104 18221 10093 1 20 . 1 1 15 15 GLY N N 6 110.761 110.761 111.592 -0.831 18221 10094 1 20 . 1 1 15 15 GLY C C 6 174.581 174.581 173.202 1.379 18221 10095 1 20 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.093 0.473 18221 10096 1 20 . 1 1 15 15 GLY H H 6 8.197 8.197 8.602 -0.405 18221 10097 1 20 . 1 1 16 16 TRP N N 7 121.800 121.800 122.927 -1.127 18221 10098 1 20 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.681 -0.121 18221 10099 1 20 . 1 1 16 16 TRP C C 7 176.920 176.920 174.336 2.584 18221 10100 1 20 . 1 1 16 16 TRP CA C 7 58.081 58.081 56.670 1.411 18221 10101 1 20 . 1 1 16 16 TRP CB C 7 28.679 28.679 30.296 -1.617 18221 10102 1 20 . 1 1 16 16 TRP H H 7 8.184 8.184 8.091 0.093 18221 10103 1 20 . 1 1 17 17 ASP N N 8 121.132 121.132 122.483 -1.351 18221 10104 1 20 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.770 -0.375 18221 10105 1 20 . 1 1 17 17 ASP C C 8 176.941 176.941 175.233 1.708 18221 10106 1 20 . 1 1 17 17 ASP CA C 8 56.244 56.244 53.212 3.032 18221 10107 1 20 . 1 1 17 17 ASP CB C 8 39.945 39.945 42.180 -2.235 18221 10108 1 20 . 1 1 17 17 ASP H H 8 8.332 8.332 7.979 0.353 18221 10109 1 20 . 1 1 18 18 SER N N 9 116.148 116.148 118.204 -2.056 18221 10110 1 20 . 1 1 18 18 SER HA H 9 3.861 3.861 4.428 -0.567 18221 10111 1 20 . 1 1 18 18 SER CA C 9 60.081 60.081 58.476 1.605 18221 10112 1 20 . 1 1 18 18 SER CB C 9 62.255 62.255 64.439 -2.184 18221 10113 1 20 . 1 1 18 18 SER H H 9 8.129 8.129 8.431 -0.302 18221 10114 1 20 . 1 1 19 19 GLY N N 10 110.747 110.747 110.672 0.075 18221 10115 1 20 . 1 1 19 19 GLY C C 10 174.682 174.682 175.872 -1.190 18221 10116 1 20 . 1 1 19 19 GLY CA C 10 46.600 46.600 46.085 0.515 18221 10117 1 20 . 1 1 19 19 GLY H H 10 8.216 8.216 8.079 0.137 18221 10118 1 20 . 1 1 20 20 ARG N N 11 121.405 121.405 124.652 -3.247 18221 10119 1 20 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.230 -0.373 18221 10120 1 20 . 1 1 20 20 ARG C C 11 178.328 178.328 178.556 -0.228 18221 10121 1 20 . 1 1 20 20 ARG CA C 11 59.085 59.085 57.592 1.493 18221 10122 1 20 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.471 -1.424 18221 10123 1 20 . 1 1 20 20 ARG H H 11 8.158 8.158 8.264 -0.106 18221 10124 1 20 . 1 1 21 21 ALA N N 12 122.167 122.167 122.840 -0.673 18221 10125 1 20 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.005 0.095 18221 10126 1 20 . 1 1 21 21 ALA C C 12 180.129 180.129 179.344 0.785 18221 10127 1 20 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.764 -0.372 18221 10128 1 20 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.951 -0.537 18221 10129 1 20 . 1 1 21 21 ALA H H 12 7.963 7.963 8.265 -0.302 18221 10130 1 20 . 1 1 22 22 ALA N N 13 122.150 122.150 121.311 0.839 18221 10131 1 20 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.903 0.134 18221 10132 1 20 . 1 1 22 22 ALA C C 13 179.095 179.095 179.897 -0.802 18221 10133 1 20 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.854 -0.138 18221 10134 1 20 . 1 1 22 22 ALA CB C 13 17.561 17.561 17.937 -0.376 18221 10135 1 20 . 1 1 22 22 ALA H H 13 7.881 7.881 8.224 -0.343 18221 10136 1 20 . 1 1 23 23 VAL N N 14 117.107 117.107 118.612 -1.505 18221 10137 1 20 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.607 -0.127 18221 10138 1 20 . 1 1 23 23 VAL C C 14 177.586 177.586 178.299 -0.713 18221 10139 1 20 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.457 0.741 18221 10140 1 20 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.557 -0.037 18221 10141 1 20 . 1 1 23 23 VAL H H 14 7.888 7.888 8.166 -0.278 18221 10142 1 20 . 1 1 24 24 ALA N N 15 121.333 121.333 121.973 -0.640 18221 10143 1 20 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.969 0.012 18221 10144 1 20 . 1 1 24 24 ALA C C 15 180.373 180.373 179.388 0.985 18221 10145 1 20 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.230 -0.219 18221 10146 1 20 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.828 -0.577 18221 10147 1 20 . 1 1 24 24 ALA H H 15 8.037 8.037 7.610 0.427 18221 10148 1 20 . 1 1 25 25 ALA N N 16 121.158 121.158 119.310 1.848 18221 10149 1 20 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.188 -0.042 18221 10150 1 20 . 1 1 25 25 ALA C C 16 179.828 179.828 178.783 1.045 18221 10151 1 20 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.604 -0.153 18221 10152 1 20 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.390 -0.903 18221 10153 1 20 . 1 1 25 25 ALA H H 16 7.819 7.819 7.836 -0.017 18221 10154 1 20 . 1 1 26 26 VAL N N 17 118.417 118.417 115.553 2.864 18221 10155 1 20 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.913 -0.135 18221 10156 1 20 . 1 1 26 26 VAL C C 17 178.020 178.020 176.813 1.207 18221 10157 1 20 . 1 1 26 26 VAL CA C 17 65.578 65.578 63.586 1.992 18221 10158 1 20 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.934 -0.849 18221 10159 1 20 . 1 1 26 26 VAL H H 17 7.848 7.848 7.317 0.531 18221 10160 1 20 . 1 1 27 27 VAL N N 18 119.240 119.240 119.335 -0.095 18221 10161 1 20 . 1 1 27 27 VAL C C 18 177.719 177.719 177.092 0.627 18221 10162 1 20 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.721 1.270 18221 10163 1 20 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.249 -2.062 18221 10164 1 20 . 1 1 27 27 VAL H H 18 8.377 8.377 7.430 0.947 18221 10165 1 20 . 1 1 28 28 GLY N N 19 106.009 106.009 107.494 -1.485 18221 10166 1 20 . 1 1 28 28 GLY C C 19 176.212 176.212 174.514 1.698 18221 10167 1 20 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.753 -0.509 18221 10168 1 20 . 1 1 28 28 GLY H H 19 8.122 8.122 8.044 0.078 18221 10169 1 20 . 1 1 29 29 GLY N N 20 110.216 110.216 112.553 -2.337 18221 10170 1 20 . 1 1 29 29 GLY C C 20 174.097 174.097 174.903 -0.806 18221 10171 1 20 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.446 1.888 18221 10172 1 20 . 1 1 29 29 GLY H H 20 8.039 8.039 7.672 0.367 18221 10173 1 20 . 1 1 30 30 VAL N N 21 121.188 121.188 122.751 -1.563 18221 10174 1 20 . 1 1 30 30 VAL C C 21 177.073 177.073 177.907 -0.834 18221 10175 1 20 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.730 -3.155 18221 10176 1 20 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.517 -0.727 18221 10177 1 20 . 1 1 30 30 VAL H H 21 7.983 7.983 8.132 -0.149 18221 10178 1 20 . 1 1 32 32 ALA N N 23 125.091 125.091 121.305 3.786 18221 10179 1 20 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.043 0.217 18221 10180 1 20 . 1 1 32 32 ALA C C 23 179.523 179.523 179.739 -0.216 18221 10181 1 20 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.083 -1.400 18221 10182 1 20 . 1 1 32 32 ALA CB C 23 16.383 16.383 17.892 -1.509 18221 10183 1 20 . 1 1 32 32 ALA H H 23 8.036 8.036 8.087 -0.051 18221 10184 1 20 . 1 1 33 33 VAL N N 24 118.793 118.793 118.061 0.732 18221 10185 1 20 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.599 0.109 18221 10186 1 20 . 1 1 33 33 VAL C C 24 177.901 177.901 178.347 -0.446 18221 10187 1 20 . 1 1 33 33 VAL CA C 24 65.430 65.430 67.143 -1.713 18221 10188 1 20 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.475 -0.157 18221 10189 1 20 . 1 1 33 33 VAL H H 24 8.195 8.195 8.080 0.115 18221 10190 1 20 . 1 1 34 34 GLY N N 25 108.367 108.367 107.476 0.891 18221 10191 1 20 . 1 1 34 34 GLY C C 25 175.424 175.424 175.800 -0.376 18221 10192 1 20 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.543 -0.209 18221 10193 1 20 . 1 1 34 34 GLY H H 25 8.651 8.651 8.312 0.339 18221 10194 1 20 . 1 1 35 35 THR N N 26 116.448 116.448 119.357 -2.909 18221 10195 1 20 . 1 1 35 35 THR C C 26 176.843 176.843 176.723 0.120 18221 10196 1 20 . 1 1 35 35 THR CA C 26 65.962 65.962 66.585 -0.623 18221 10197 1 20 . 1 1 35 35 THR CB C 26 68.414 68.414 68.538 -0.124 18221 10198 1 20 . 1 1 35 35 THR H H 26 7.975 7.975 8.212 -0.237 18221 10199 1 20 . 1 1 36 36 VAL N N 27 122.810 122.810 121.829 0.981 18221 10200 1 20 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.707 0.012 18221 10201 1 20 . 1 1 36 36 VAL C C 27 177.618 177.618 176.937 0.681 18221 10202 1 20 . 1 1 36 36 VAL CA C 27 65.726 65.726 65.832 -0.106 18221 10203 1 20 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.742 -1.075 18221 10204 1 20 . 1 1 36 36 VAL H H 27 7.559 7.559 7.956 -0.397 18221 10205 1 20 . 1 1 37 37 LEU N N 28 119.566 119.566 120.379 -0.813 18221 10206 1 20 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.850 0.103 18221 10207 1 20 . 1 1 37 37 LEU C C 28 179.666 179.666 178.759 0.907 18221 10208 1 20 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.833 -0.988 18221 10209 1 20 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.977 -1.811 18221 10210 1 20 . 1 1 37 37 LEU H H 28 8.086 8.086 7.815 0.271 18221 10211 1 20 . 1 1 38 38 VAL N N 29 119.468 119.468 117.758 1.710 18221 10212 1 20 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.504 0.149 18221 10213 1 20 . 1 1 38 38 VAL C C 29 178.639 178.639 177.936 0.703 18221 10214 1 20 . 1 1 38 38 VAL CA C 29 65.473 65.473 65.901 -0.428 18221 10215 1 20 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.733 -1.124 18221 10216 1 20 . 1 1 38 38 VAL H H 29 8.066 8.066 8.093 -0.027 18221 10217 1 20 . 1 1 39 39 ALA N N 30 124.255 124.255 122.589 1.666 18221 10218 1 20 . 1 1 39 39 ALA HA H 30 4.165 4.165 3.970 0.195 18221 10219 1 20 . 1 1 39 39 ALA C C 30 180.303 180.303 178.665 1.638 18221 10220 1 20 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.207 -0.373 18221 10221 1 20 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.276 -0.568 18221 10222 1 20 . 1 1 39 39 ALA H H 30 7.688 7.688 7.824 -0.136 18221 10223 1 20 . 1 1 40 40 LEU N N 31 118.268 118.268 119.851 -1.583 18221 10224 1 20 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.171 -0.030 18221 10225 1 20 . 1 1 40 40 LEU C C 31 179.271 179.271 179.211 0.060 18221 10226 1 20 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.505 -0.427 18221 10227 1 20 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.877 -0.975 18221 10228 1 20 . 1 1 40 40 LEU H H 31 8.326 8.326 8.059 0.267 18221 10229 1 20 . 1 1 41 41 SER N N 32 114.984 114.984 114.999 -0.015 18221 10230 1 20 . 1 1 41 41 SER HA H 32 3.952 3.952 4.107 -0.155 18221 10231 1 20 . 1 1 41 41 SER C C 32 176.284 176.284 176.224 0.060 18221 10232 1 20 . 1 1 41 41 SER CA C 32 60.885 60.885 61.417 -0.532 18221 10233 1 20 . 1 1 41 41 SER CB C 32 62.410 62.410 63.016 -0.606 18221 10234 1 20 . 1 1 41 41 SER H H 32 8.062 8.062 8.308 -0.246 18221 10235 1 20 . 1 1 42 42 ALA N N 33 124.588 124.588 123.736 0.852 18221 10236 1 20 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.462 -0.237 18221 10237 1 20 . 1 1 42 42 ALA C C 33 179.033 179.033 177.487 1.546 18221 10238 1 20 . 1 1 42 42 ALA CA C 33 53.713 53.713 51.214 2.499 18221 10239 1 20 . 1 1 42 42 ALA CB C 33 17.929 17.929 17.929 -0.000 18221 10240 1 20 . 1 1 42 42 ALA H H 33 7.813 7.813 7.894 -0.081 18221 10241 1 20 . 1 1 43 43 MET N N 34 116.808 116.808 119.515 -2.707 18221 10242 1 20 . 1 1 43 43 MET HA H 34 4.285 4.285 4.319 -0.034 18221 10243 1 20 . 1 1 43 43 MET C C 34 176.807 176.807 177.292 -0.485 18221 10244 1 20 . 1 1 43 43 MET CA C 34 56.576 56.576 57.740 -1.164 18221 10245 1 20 . 1 1 43 43 MET CB C 34 32.435 32.435 33.229 -0.794 18221 10246 1 20 . 1 1 43 43 MET H H 34 7.691 7.691 8.012 -0.321 18221 10247 1 20 . 1 1 44 44 GLY N N 35 107.020 107.020 104.586 2.434 18221 10248 1 20 . 1 1 44 44 GLY C C 35 174.493 174.493 173.594 0.899 18221 10249 1 20 . 1 1 44 44 GLY CA C 35 45.065 45.065 44.800 0.265 18221 10250 1 20 . 1 1 44 44 GLY H H 35 7.793 7.793 8.174 -0.381 18221 10251 1 20 . 1 1 45 45 PHE N N 36 120.285 120.285 119.878 0.407 18221 10252 1 20 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.666 -0.159 18221 10253 1 20 . 1 1 45 45 PHE C C 36 176.876 176.876 174.968 1.908 18221 10254 1 20 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.737 1.200 18221 10255 1 20 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.249 -1.071 18221 10256 1 20 . 1 1 45 45 PHE H H 36 8.215 8.215 7.862 0.353 18221 10257 1 20 . 1 1 46 46 THR N N 37 114.008 114.008 117.393 -3.385 18221 10258 1 20 . 1 1 46 46 THR HA H 37 4.080 4.080 3.950 0.130 18221 10259 1 20 . 1 1 46 46 THR C C 37 175.751 175.751 174.714 1.037 18221 10260 1 20 . 1 1 46 46 THR CA C 37 64.220 64.220 63.421 0.799 18221 10261 1 20 . 1 1 46 46 THR CB C 37 68.514 68.514 69.468 -0.954 18221 10262 1 20 . 1 1 46 46 THR H H 37 8.111 8.111 8.104 0.007 18221 10263 1 20 . 1 1 47 47 SER N N 38 116.646 116.646 111.460 5.186 18221 10264 1 20 . 1 1 47 47 SER HA H 38 3.918 3.918 4.438 -0.520 18221 10265 1 20 . 1 1 47 47 SER C C 38 176.744 176.744 175.202 1.542 18221 10266 1 20 . 1 1 47 47 SER CA C 38 59.911 59.911 59.207 0.704 18221 10267 1 20 . 1 1 47 47 SER CB C 38 62.624 62.624 63.585 -0.961 18221 10268 1 20 . 1 1 47 47 SER H H 38 8.079 8.079 8.385 -0.306 18221 10269 1 20 . 1 1 48 48 VAL N N 39 121.929 121.929 122.713 -0.784 18221 10270 1 20 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.784 0.125 18221 10271 1 20 . 1 1 48 48 VAL C C 39 177.033 177.033 177.560 -0.527 18221 10272 1 20 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.903 -0.915 18221 10273 1 20 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.415 -0.748 18221 10274 1 20 . 1 1 48 48 VAL H H 39 7.985 7.985 7.974 0.011 18221 10275 1 20 . 1 1 49 49 GLY N N 40 108.633 108.633 108.240 0.393 18221 10276 1 20 . 1 1 49 49 GLY C C 40 176.038 176.038 176.315 -0.277 18221 10277 1 20 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.734 -0.869 18221 10278 1 20 . 1 1 49 49 GLY H H 40 8.267 8.267 8.651 -0.384 18221 10279 1 20 . 1 1 50 50 ILE N N 41 122.466 122.466 122.802 -0.336 18221 10280 1 20 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.709 0.162 18221 10281 1 20 . 1 1 50 50 ILE C C 41 178.363 178.363 177.530 0.833 18221 10282 1 20 . 1 1 50 50 ILE CA C 41 63.515 63.515 63.933 -0.418 18221 10283 1 20 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.851 -0.613 18221 10284 1 20 . 1 1 50 50 ILE H H 41 7.865 7.865 7.961 -0.096 18221 10285 1 20 . 1 1 51 51 ALA N N 42 125.064 125.064 121.902 3.162 18221 10286 1 20 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.845 0.254 18221 10287 1 20 . 1 1 51 51 ALA C C 42 179.385 179.385 179.134 0.251 18221 10288 1 20 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.193 -0.713 18221 10289 1 20 . 1 1 51 51 ALA CB C 42 17.487 17.487 18.075 -0.588 18221 10290 1 20 . 1 1 51 51 ALA H H 42 7.930 7.930 8.144 -0.214 18221 10291 1 20 . 1 1 52 52 ALA N N 43 120.594 120.594 120.489 0.105 18221 10292 1 20 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.024 -0.086 18221 10293 1 20 . 1 1 52 52 ALA C C 43 179.088 179.088 180.044 -0.956 18221 10294 1 20 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.917 0.183 18221 10295 1 20 . 1 1 52 52 ALA CB C 43 17.635 17.635 17.905 -0.270 18221 10296 1 20 . 1 1 52 52 ALA H H 43 8.639 8.639 8.479 0.160 18221 10297 1 20 . 1 1 53 53 SER N N 44 113.012 113.012 114.434 -1.422 18221 10298 1 20 . 1 1 53 53 SER HA H 44 3.966 3.966 4.210 -0.244 18221 10299 1 20 . 1 1 53 53 SER C C 44 176.898 176.898 176.933 -0.035 18221 10300 1 20 . 1 1 53 53 SER CA C 44 61.139 61.139 61.738 -0.599 18221 10301 1 20 . 1 1 53 53 SER CB C 44 62.347 62.347 63.066 -0.720 18221 10302 1 20 . 1 1 53 53 SER H H 44 8.193 8.193 8.199 -0.006 18221 10303 1 20 . 1 1 54 54 SER N N 45 118.714 118.714 118.931 -0.217 18221 10304 1 20 . 1 1 54 54 SER HA H 45 3.975 3.975 4.215 -0.240 18221 10305 1 20 . 1 1 54 54 SER C C 45 177.131 177.131 176.478 0.653 18221 10306 1 20 . 1 1 54 54 SER CA C 45 61.210 61.210 62.466 -1.256 18221 10307 1 20 . 1 1 54 54 SER CB C 45 62.255 62.255 62.881 -0.626 18221 10308 1 20 . 1 1 54 54 SER H H 45 7.944 7.944 8.198 -0.254 18221 10309 1 20 . 1 1 55 55 ILE N N 46 122.912 122.912 121.501 1.411 18221 10310 1 20 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.608 0.149 18221 10311 1 20 . 1 1 55 55 ILE C C 46 177.813 177.813 177.490 0.323 18221 10312 1 20 . 1 1 55 55 ILE CA C 46 64.191 64.191 65.303 -1.112 18221 10313 1 20 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.923 -0.997 18221 10314 1 20 . 1 1 55 55 ILE H H 46 8.028 8.028 8.332 -0.304 18221 10315 1 20 . 1 1 56 56 ALA N N 47 122.990 122.990 120.309 2.681 18221 10316 1 20 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.010 -0.054 18221 10317 1 20 . 1 1 56 56 ALA C C 47 180.294 180.294 179.665 0.629 18221 10318 1 20 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.662 -0.324 18221 10319 1 20 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.474 -0.773 18221 10320 1 20 . 1 1 56 56 ALA H H 47 8.333 8.333 7.634 0.699 18221 10321 1 20 . 1 1 57 57 ALA N N 48 121.988 121.988 119.818 2.170 18221 10322 1 20 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.036 0.032 18221 10323 1 20 . 1 1 57 57 ALA CA C 48 54.421 54.421 54.530 -0.109 18221 10324 1 20 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.103 -1.401 18221 10325 1 20 . 1 1 57 57 ALA H H 48 7.879 7.879 7.919 -0.040 18221 10326 1 20 . 1 1 58 58 LYS N N 49 119.094 119.094 113.754 5.340 18221 10327 1 20 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.387 -0.241 18221 10328 1 20 . 1 1 58 58 LYS C C 49 179.649 179.649 175.245 4.404 18221 10329 1 20 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.551 0.606 18221 10330 1 20 . 1 1 58 58 LYS CB C 49 31.330 31.330 35.057 -3.727 18221 10331 1 20 . 1 1 58 58 LYS H H 49 7.727 7.727 8.414 -0.687 18221 10332 1 20 . 1 1 59 59 MET N N 50 120.498 120.498 114.388 6.110 18221 10333 1 20 . 1 1 59 59 MET HA H 50 4.156 4.156 4.689 -0.533 18221 10334 1 20 . 1 1 59 59 MET C C 50 177.949 177.949 174.133 3.816 18221 10335 1 20 . 1 1 59 59 MET CA C 50 57.136 57.136 55.390 1.746 18221 10336 1 20 . 1 1 59 59 MET CB C 50 31.922 31.922 33.870 -1.948 18221 10337 1 20 . 1 1 59 59 MET H H 50 8.395 8.395 8.088 0.307 18221 10338 1 20 . 1 1 60 60 MET N N 51 117.689 117.689 122.267 -4.578 18221 10339 1 20 . 1 1 60 60 MET HA H 51 4.222 4.222 4.372 -0.150 18221 10340 1 20 . 1 1 60 60 MET C C 51 177.674 177.674 175.209 2.465 18221 10341 1 20 . 1 1 60 60 MET CA C 51 57.638 57.638 56.453 1.185 18221 10342 1 20 . 1 1 60 60 MET CB C 51 31.785 31.785 31.692 0.093 18221 10343 1 20 . 1 1 60 60 MET H H 51 8.234 8.234 8.213 0.021 18221 10344 1 20 . 1 1 61 61 SER N N 52 114.385 114.385 117.889 -3.504 18221 10345 1 20 . 1 1 61 61 SER HA H 52 4.001 4.001 4.591 -0.590 18221 10346 1 20 . 1 1 61 61 SER C C 52 176.079 176.079 173.747 2.332 18221 10347 1 20 . 1 1 61 61 SER CA C 52 59.911 59.911 58.751 1.160 18221 10348 1 20 . 1 1 61 61 SER CB C 52 62.624 62.624 64.484 -1.859 18221 10349 1 20 . 1 1 61 61 SER H H 52 7.893 7.893 8.138 -0.245 18221 10350 1 20 . 1 1 62 62 THR N N 53 117.304 117.304 118.092 -0.788 18221 10351 1 20 . 1 1 62 62 THR HA H 53 4.104 4.104 4.419 -0.315 18221 10352 1 20 . 1 1 62 62 THR C C 53 175.436 175.436 174.945 0.491 18221 10353 1 20 . 1 1 62 62 THR CA C 53 64.220 64.220 62.253 1.967 18221 10354 1 20 . 1 1 62 62 THR CB C 53 68.514 68.514 69.141 -0.627 18221 10355 1 20 . 1 1 62 62 THR H H 53 7.794 7.794 8.500 -0.706 18221 10356 1 20 . 1 1 63 63 ALA N N 54 125.382 125.382 121.447 3.935 18221 10357 1 20 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.004 0.090 18221 10358 1 20 . 1 1 63 63 ALA C C 54 178.328 178.328 176.215 2.113 18221 10359 1 20 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.704 1.392 18221 10360 1 20 . 1 1 63 63 ALA CB C 54 17.708 17.708 17.556 0.152 18221 10361 1 20 . 1 1 63 63 ALA H H 54 8.204 8.204 8.156 0.048 18221 10362 1 20 . 1 1 64 64 ALA N N 55 119.929 119.929 122.094 -2.165 18221 10363 1 20 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.668 -0.543 18221 10364 1 20 . 1 1 64 64 ALA C C 55 179.183 179.183 178.569 0.614 18221 10365 1 20 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.885 1.152 18221 10366 1 20 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.052 -1.344 18221 10367 1 20 . 1 1 64 64 ALA H H 55 7.951 7.951 8.142 -0.191 18221 10368 1 20 . 1 1 65 65 ILE N N 56 117.016 117.016 120.912 -3.896 18221 10369 1 20 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.028 -0.078 18221 10370 1 20 . 1 1 65 65 ILE C C 56 177.222 177.222 176.693 0.529 18221 10371 1 20 . 1 1 65 65 ILE CA C 56 62.184 62.184 62.469 -0.285 18221 10372 1 20 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.275 -0.202 18221 10373 1 20 . 1 1 65 65 ILE H H 56 7.561 7.561 8.032 -0.471 18221 10374 1 20 . 1 1 66 66 ALA N N 57 124.191 124.191 122.793 1.398 18221 10375 1 20 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.010 0.167 18221 10376 1 20 . 1 1 66 66 ALA C C 57 178.190 178.190 176.187 2.003 18221 10377 1 20 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.372 1.164 18221 10378 1 20 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.465 -0.536 18221 10379 1 20 . 1 1 66 66 ALA H H 57 7.982 7.982 8.000 -0.018 18221 10380 1 20 . 1 1 67 67 ASN N N 58 116.132 116.132 120.812 -4.680 18221 10381 1 20 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.789 -0.116 18221 10382 1 20 . 1 1 67 67 ASN C C 58 176.344 176.344 175.535 0.809 18221 10383 1 20 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.138 0.339 18221 10384 1 20 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.798 -0.326 18221 10385 1 20 . 1 1 67 67 ASN H H 58 8.113 8.113 8.246 -0.133 18221 10386 1 20 . 1 1 68 68 GLY N N 59 108.808 108.808 111.909 -3.101 18221 10387 1 20 . 1 1 68 68 GLY C C 59 174.958 174.958 174.184 0.774 18221 10388 1 20 . 1 1 68 68 GLY CA C 59 45.655 45.655 44.722 0.933 18221 10389 1 20 . 1 1 68 68 GLY H H 59 8.152 8.152 8.637 -0.485 18221 10390 1 20 . 1 1 69 69 GLY N N 60 108.832 108.832 110.424 -1.592 18221 10391 1 20 . 1 1 69 69 GLY C C 60 174.631 174.631 174.599 0.032 18221 10392 1 20 . 1 1 69 69 GLY CA C 60 45.419 45.419 44.823 0.596 18221 10393 1 20 . 1 1 69 69 GLY H H 60 8.218 8.218 8.270 -0.052 18221 10394 1 20 . 1 1 70 70 GLY N N 61 108.966 108.966 111.149 -2.183 18221 10395 1 20 . 1 1 70 70 GLY C C 61 174.594 174.594 174.681 -0.087 18221 10396 1 20 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.363 0.997 18221 10397 1 20 . 1 1 70 70 GLY H H 61 8.175 8.175 8.095 0.080 18221 10398 1 20 . 1 1 71 71 VAL N N 62 120.209 120.209 116.134 4.075 18221 10399 1 20 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.802 0.204 18221 10400 1 20 . 1 1 71 71 VAL C C 62 176.077 176.077 176.509 -0.432 18221 10401 1 20 . 1 1 71 71 VAL CA C 62 62.390 62.390 64.350 -1.960 18221 10402 1 20 . 1 1 71 71 VAL CB C 62 31.698 31.698 31.658 0.040 18221 10403 1 20 . 1 1 71 71 VAL H H 62 7.882 7.882 8.297 -0.415 18221 10404 1 20 . 1 1 72 72 ALA N N 63 126.966 126.966 122.745 4.221 18221 10405 1 20 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.106 -0.080 18221 10406 1 20 . 1 1 72 72 ALA C C 63 178.064 178.064 176.592 1.472 18221 10407 1 20 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.423 0.080 18221 10408 1 20 . 1 1 72 72 ALA CB C 63 18.225 18.225 19.169 -0.944 18221 10409 1 20 . 1 1 72 72 ALA H H 63 8.237 8.237 7.778 0.459 18221 10410 1 20 . 1 1 73 73 ALA N N 64 123.432 123.432 120.333 3.099 18221 10411 1 20 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.060 -0.045 18221 10412 1 20 . 1 1 73 73 ALA C C 64 178.995 178.995 176.708 2.287 18221 10413 1 20 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.232 2.189 18221 10414 1 20 . 1 1 73 73 ALA CB C 64 18.003 18.003 18.714 -0.711 18221 10415 1 20 . 1 1 73 73 ALA H H 64 8.421 8.421 8.141 0.280 18221 10416 1 20 . 1 1 74 74 GLY N N 65 105.577 105.577 110.082 -4.505 18221 10417 1 20 . 1 1 74 74 GLY C C 65 176.367 176.367 174.542 1.825 18221 10418 1 20 . 1 1 74 74 GLY CA C 65 46.244 46.244 44.538 1.706 18221 10419 1 20 . 1 1 74 74 GLY H H 65 8.448 8.448 7.722 0.726 18221 10420 1 20 . 1 1 75 75 SER N N 66 117.656 117.656 116.151 1.505 18221 10421 1 20 . 1 1 75 75 SER HA H 66 4.394 4.394 4.206 0.188 18221 10422 1 20 . 1 1 75 75 SER C C 66 176.329 176.329 176.609 -0.280 18221 10423 1 20 . 1 1 75 75 SER CA C 66 60.236 60.236 61.168 -0.932 18221 10424 1 20 . 1 1 75 75 SER CB C 66 62.476 62.476 63.089 -0.613 18221 10425 1 20 . 1 1 75 75 SER H H 66 7.899 7.899 8.674 -0.775 18221 10426 1 20 . 1 1 76 76 LEU N N 67 122.743 122.743 122.801 -0.058 18221 10427 1 20 . 1 1 76 76 LEU HA H 67 4.050 4.050 3.942 0.108 18221 10428 1 20 . 1 1 76 76 LEU C C 67 178.442 178.442 178.333 0.109 18221 10429 1 20 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.667 -0.147 18221 10430 1 20 . 1 1 76 76 LEU CB C 67 40.681 40.681 42.008 -1.327 18221 10431 1 20 . 1 1 76 76 LEU H H 67 7.955 7.955 8.048 -0.093 18221 10432 1 20 . 1 1 77 77 VAL N N 68 118.400 118.400 118.348 0.052 18221 10433 1 20 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.456 0.015 18221 10434 1 20 . 1 1 77 77 VAL C C 68 177.297 177.297 177.226 0.071 18221 10435 1 20 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.954 -0.284 18221 10436 1 20 . 1 1 77 77 VAL CB C 68 30.520 30.520 31.278 -0.758 18221 10437 1 20 . 1 1 77 77 VAL H H 68 8.039 8.039 8.069 -0.030 18221 10438 1 20 . 1 1 78 78 ALA N N 69 121.927 121.927 121.980 -0.053 18221 10439 1 20 . 1 1 78 78 ALA HA H 69 4.205 4.205 3.980 0.225 18221 10440 1 20 . 1 1 78 78 ALA C C 69 181.258 181.258 179.456 1.802 18221 10441 1 20 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.277 -0.295 18221 10442 1 20 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.227 -0.813 18221 10443 1 20 . 1 1 78 78 ALA H H 69 7.631 7.631 7.981 -0.350 18221 10444 1 20 . 1 1 79 79 ILE N N 70 119.782 119.782 116.928 2.854 18221 10445 1 20 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.884 -0.088 18221 10446 1 20 . 1 1 79 79 ILE C C 70 178.253 178.253 177.524 0.729 18221 10447 1 20 . 1 1 79 79 ILE CA C 70 64.352 64.352 63.779 0.573 18221 10448 1 20 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.872 -0.799 18221 10449 1 20 . 1 1 79 79 ILE H H 70 7.841 7.841 7.667 0.174 18221 10450 1 20 . 1 1 80 80 LEU N N 71 120.841 120.841 122.072 -1.231 18221 10451 1 20 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.754 0.183 18221 10452 1 20 . 1 1 80 80 LEU C C 71 179.234 179.234 178.658 0.576 18221 10453 1 20 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.715 -0.870 18221 10454 1 20 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.749 -1.730 18221 10455 1 20 . 1 1 80 80 LEU H H 71 8.190 8.190 8.217 -0.027 18221 10456 1 20 . 1 1 81 81 GLN N N 72 117.558 117.558 117.244 0.314 18221 10457 1 20 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.939 0.030 18221 10458 1 20 . 1 1 81 81 GLN C C 72 178.530 178.530 178.702 -0.172 18221 10459 1 20 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.002 -0.183 18221 10460 1 20 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.738 -1.458 18221 10461 1 20 . 1 1 81 81 GLN H H 72 8.489 8.489 8.404 0.085 18221 10462 1 20 . 1 1 82 82 SER N N 73 116.103 116.103 115.726 0.377 18221 10463 1 20 . 1 1 82 82 SER HA H 73 4.233 4.233 4.135 0.098 18221 10464 1 20 . 1 1 82 82 SER C C 73 177.243 177.243 176.652 0.591 18221 10465 1 20 . 1 1 82 82 SER CA C 73 61.044 61.044 62.254 -1.210 18221 10466 1 20 . 1 1 82 82 SER CB C 73 62.257 62.257 63.271 -1.014 18221 10467 1 20 . 1 1 82 82 SER H H 73 7.855 7.855 8.158 -0.303 18221 10468 1 20 . 1 1 83 83 VAL N N 74 120.362 120.362 118.822 1.540 18221 10469 1 20 . 1 1 83 83 VAL C C 74 177.979 177.979 177.546 0.433 18221 10470 1 20 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.129 -0.023 18221 10471 1 20 . 1 1 83 83 VAL CB C 74 30.741 30.741 30.632 0.109 18221 10472 1 20 . 1 1 83 83 VAL H H 74 8.030 8.030 8.153 -0.123 18221 10473 1 20 . 1 1 84 84 GLY N N 75 108.223 108.223 108.477 -0.254 18221 10474 1 20 . 1 1 84 84 GLY C C 75 174.913 174.913 175.563 -0.650 18221 10475 1 20 . 1 1 84 84 GLY CA C 75 46.777 46.777 46.983 -0.205 18221 10476 1 20 . 1 1 84 84 GLY H H 75 8.369 8.369 7.875 0.494 18221 10477 1 20 . 1 1 85 85 ALA N N 76 123.550 123.550 124.457 -0.907 18221 10478 1 20 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.087 0.007 18221 10479 1 20 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.872 -0.274 18221 10480 1 20 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.305 -0.683 18221 10481 1 20 . 1 1 85 85 ALA H H 76 8.115 8.115 8.344 -0.229 18221 10482 1 20 . 1 1 86 86 ALA N N 77 120.410 120.410 120.783 -0.373 18221 10483 1 20 . 1 1 86 86 ALA C C 77 178.988 178.988 179.533 -0.545 18221 10484 1 20 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.355 -0.520 18221 10485 1 20 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.931 -0.421 18221 10486 1 20 . 1 1 86 86 ALA H H 77 8.632 8.632 8.346 0.286 18221 10487 1 20 . 1 1 87 87 GLY N N 78 105.706 105.706 107.255 -1.549 18221 10488 1 20 . 1 1 87 87 GLY C C 78 175.939 175.939 176.133 -0.194 18221 10489 1 20 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.969 -0.851 18221 10490 1 20 . 1 1 87 87 GLY H H 78 8.196 8.196 7.784 0.412 18221 10491 1 20 . 1 1 88 88 LEU N N 79 124.128 124.128 121.539 2.589 18221 10492 1 20 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.816 -0.414 18221 10493 1 20 . 1 1 88 88 LEU CB C 79 40.387 40.387 42.031 -1.644 18221 10494 1 20 . 1 1 88 88 LEU H H 79 8.449 8.449 8.061 0.388 18221 10495 1 20 . 1 1 89 89 SER N N 80 116.251 116.251 114.843 1.408 18221 10496 1 20 . 1 1 89 89 SER C C 80 179.153 179.153 176.312 2.841 18221 10497 1 20 . 1 1 89 89 SER CA C 80 61.023 61.023 62.544 -1.521 18221 10498 1 20 . 1 1 89 89 SER CB C 80 62.255 62.255 63.011 -0.756 18221 10499 1 20 . 1 1 89 89 SER H H 80 8.120 8.120 8.161 -0.041 18221 10500 1 20 . 1 1 90 90 VAL N N 81 119.310 119.310 121.619 -2.309 18221 10501 1 20 . 1 1 90 90 VAL C C 81 177.652 177.652 177.660 -0.008 18221 10502 1 20 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.908 -0.832 18221 10503 1 20 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.630 -0.300 18221 10504 1 20 . 1 1 90 90 VAL H H 81 7.955 7.955 7.998 -0.043 18221 10505 1 20 . 1 1 91 91 THR N N 82 115.535 115.535 116.486 -0.951 18221 10506 1 20 . 1 1 91 91 THR C C 82 176.571 176.571 176.455 0.116 18221 10507 1 20 . 1 1 91 91 THR CA C 82 66.434 66.434 67.328 -0.894 18221 10508 1 20 . 1 1 91 91 THR CB C 82 67.742 67.742 68.720 -0.978 18221 10509 1 20 . 1 1 91 91 THR H H 82 7.888 7.888 8.493 -0.605 18221 10510 1 20 . 1 1 92 92 SER N N 83 116.537 116.537 116.890 -0.353 18221 10511 1 20 . 1 1 92 92 SER HA H 83 4.040 4.040 3.936 0.104 18221 10512 1 20 . 1 1 92 92 SER C C 83 176.761 176.761 176.299 0.462 18221 10513 1 20 . 1 1 92 92 SER CA C 83 61.564 61.564 61.418 0.146 18221 10514 1 20 . 1 1 92 92 SER CB C 83 62.009 62.009 62.796 -0.787 18221 10515 1 20 . 1 1 92 92 SER H H 83 8.212 8.212 8.070 0.142 18221 10516 1 20 . 1 1 93 93 LYS N N 84 122.353 122.353 120.966 1.387 18221 10517 1 20 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.964 0.155 18221 10518 1 20 . 1 1 93 93 LYS C C 84 172.812 172.812 179.286 -6.474 18221 10519 1 20 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.449 -1.014 18221 10520 1 20 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.434 -0.957 18221 10521 1 20 . 1 1 93 93 LYS H H 84 7.642 7.642 8.268 -0.626 18221 10522 1 20 . 1 1 94 94 VAL N N 85 119.348 119.348 118.018 1.330 18221 10523 1 20 . 1 1 94 94 VAL C C 85 177.948 177.948 176.956 0.992 18221 10524 1 20 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.819 -0.430 18221 10525 1 20 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.832 0.014 18221 10526 1 20 . 1 1 94 94 VAL H H 85 8.414 8.414 7.714 0.700 18221 10527 1 20 . 1 1 95 95 ILE N N 86 118.769 118.769 117.588 1.181 18221 10528 1 20 . 1 1 95 95 ILE C C 86 177.972 177.972 176.611 1.361 18221 10529 1 20 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.117 0.720 18221 10530 1 20 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.768 -2.136 18221 10531 1 20 . 1 1 95 95 ILE H H 86 8.169 8.169 7.554 0.615 18221 10532 1 20 . 1 1 96 96 GLY N N 87 107.955 107.955 105.940 2.015 18221 10533 1 20 . 1 1 96 96 GLY C C 87 176.571 176.571 174.132 2.439 18221 10534 1 20 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.582 1.929 18221 10535 1 20 . 1 1 96 96 GLY H H 87 8.182 8.182 8.195 -0.013 18221 10536 1 20 . 1 1 97 97 GLY N N 88 109.117 109.117 109.491 -0.374 18221 10537 1 20 . 1 1 97 97 GLY C C 88 175.524 175.524 173.778 1.746 18221 10538 1 20 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.402 0.430 18221 10539 1 20 . 1 1 97 97 GLY H H 88 7.953 7.953 7.718 0.235 18221 10540 1 20 . 1 1 98 98 PHE N N 89 121.100 121.100 121.888 -0.788 18221 10541 1 20 . 1 1 98 98 PHE C C 89 176.367 176.367 174.821 1.546 18221 10542 1 20 . 1 1 98 98 PHE CA C 89 56.900 56.900 57.883 -0.983 18221 10543 1 20 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.538 -0.706 18221 10544 1 20 . 1 1 98 98 PHE H H 89 8.000 8.000 8.426 -0.426 18221 10545 1 20 . 1 1 99 99 ALA N N 90 122.834 122.834 127.686 -4.852 18221 10546 1 20 . 1 1 99 99 ALA C C 90 178.348 178.348 176.892 1.456 18221 10547 1 20 . 1 1 99 99 ALA CA C 90 55.277 55.277 51.996 3.281 18221 10548 1 20 . 1 1 99 99 ALA CB C 90 17.414 17.414 20.107 -2.693 18221 10549 1 20 . 1 1 99 99 ALA H H 90 8.322 8.322 8.344 -0.022 18221 10550 1 20 . 1 1 100 100 GLY N N 91 106.688 106.688 111.275 -4.587 18221 10551 1 20 . 1 1 100 100 GLY C C 91 175.878 175.878 174.870 1.008 18221 10552 1 20 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.722 -0.097 18221 10553 1 20 . 1 1 100 100 GLY H H 91 8.000 8.000 8.573 -0.573 18221 10554 1 20 . 1 1 101 101 THR N N 92 115.689 115.689 113.529 2.160 18221 10555 1 20 . 1 1 101 101 THR C C 92 178.476 178.476 173.678 4.798 18221 10556 1 20 . 1 1 101 101 THR CA C 92 63.364 63.364 61.859 1.505 18221 10557 1 20 . 1 1 101 101 THR CB C 92 69.619 69.619 69.552 0.067 18221 10558 1 20 . 1 1 101 101 THR H H 92 7.754 7.754 8.007 -0.253 18221 10559 1 20 . 1 1 102 102 ALA N N 93 124.835 124.835 122.761 2.074 18221 10560 1 20 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.688 1.623 18221 10561 1 20 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.024 -1.345 18221 10562 1 20 . 1 1 102 102 ALA H H 93 7.919 7.919 8.024 -0.105 18221 10563 1 20 . 1 1 103 103 LEU N N 94 117.445 117.445 120.236 -2.791 18221 10564 1 20 . 1 1 103 103 LEU CA C 94 56.782 56.782 54.458 2.324 18221 10565 1 20 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.688 -0.786 18221 10566 1 20 . 1 1 103 103 LEU H H 94 8.037 8.037 8.169 -0.132 18221 10567 1 20 . 1 1 104 104 GLY N N 95 106.296 106.296 110.784 -4.488 18221 10568 1 20 . 1 1 104 104 GLY C C 95 175.851 175.851 174.916 0.935 18221 10569 1 20 . 1 1 104 104 GLY CA C 95 46.570 46.570 45.226 1.344 18221 10570 1 20 . 1 1 104 104 GLY H H 95 7.900 7.900 8.417 -0.517 18221 10571 1 20 . 1 1 105 105 ALA N N 96 123.872 123.872 122.827 1.045 18221 10572 1 20 . 1 1 105 105 ALA CA C 96 54.126 54.126 51.358 2.768 18221 10573 1 20 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.245 -0.659 18221 10574 1 20 . 1 1 105 105 ALA H H 96 7.804 7.804 8.086 -0.282 18221 10575 1 20 . 1 1 106 106 TRP N N 97 120.348 120.348 120.608 -0.260 18221 10576 1 20 . 1 1 106 106 TRP C C 97 176.857 176.857 174.419 2.438 18221 10577 1 20 . 1 1 106 106 TRP CA C 97 56.900 56.900 57.360 -0.460 18221 10578 1 20 . 1 1 106 106 TRP H H 97 8.385 8.385 7.768 0.617 18221 10579 1 20 . 1 1 107 107 LEU N N 98 117.756 117.756 129.475 -11.719 18221 10580 1 20 . 1 1 107 107 LEU C C 98 177.659 177.659 176.016 1.643 18221 10581 1 20 . 1 1 107 107 LEU CA C 98 55.103 55.103 54.519 0.584 18221 10582 1 20 . 1 1 107 107 LEU CB C 98 41.418 41.418 43.209 -1.791 18221 10583 1 20 . 1 1 107 107 LEU H H 98 7.880 7.880 8.135 -0.255 18221 10584 1 20 . 1 1 108 108 GLY N N 99 107.285 107.285 107.605 -0.320 18221 10585 1 20 . 1 1 108 108 GLY C C 99 173.815 173.815 173.705 0.110 18221 10586 1 20 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.394 0.553 18221 10587 1 20 . 1 1 108 108 GLY H H 99 7.694 7.694 7.611 0.083 18221 10588 1 20 . 1 1 109 109 SER N N 100 117.139 117.139 116.735 0.404 18221 10589 1 20 . 1 1 109 109 SER C C 100 172.179 172.179 173.109 -0.930 18221 10590 1 20 . 1 1 109 109 SER CA C 100 56.015 56.015 57.847 -1.832 18221 10591 1 20 . 1 1 109 109 SER CB C 100 62.771 62.771 63.320 -0.549 18221 10592 1 20 . 1 1 109 109 SER H H 100 8.030 8.030 8.363 -0.333 18221 10593 1 20 . 1 1 111 111 PRO C C 102 177.073 177.073 176.795 0.278 18221 10594 1 20 . 1 1 111 111 PRO CA C 102 62.199 62.199 62.584 -0.384 18221 10595 1 20 . 1 1 111 111 PRO CB C 102 31.211 31.211 32.753 -1.542 18221 10596 1 20 . 1 1 112 112 SER N N 103 117.115 117.115 116.240 0.875 18221 10597 1 20 . 1 1 112 112 SER C C 103 173.898 173.898 174.704 -0.806 18221 10598 1 20 . 1 1 112 112 SER CA C 103 57.904 57.904 59.078 -1.174 18221 10599 1 20 . 1 1 112 112 SER CB C 103 63.360 63.360 63.737 -0.377 18221 10600 1 20 . 1 1 112 112 SER H H 103 8.345 8.345 8.634 -0.289 18221 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 99 2.354 0.342 2.341 18221 2 1 1 "Average Difference" HA 89 0.257 0.030 0.257 18221 3 1 1 "Average Difference" C 93 1.631 -0.817 1.419 18221 4 1 1 "Average Difference" CA 100 1.221 -0.345 1.177 18221 5 1 1 "Average Difference" CB 80 1.230 0.825 0.918 18221 6 1 1 "Average Difference" HN 99 0.374 0.042 0.374 18221 7 1 2 "Average Difference" N 99 2.175 0.367 2.154 18221 8 1 2 "Average Difference" HA 89 0.274 0.040 0.272 18221 9 1 2 "Average Difference" C 93 1.645 -0.810 1.439 18221 10 1 2 "Average Difference" CA 100 1.149 -0.200 1.137 18221 11 1 2 "Average Difference" CB 80 1.319 0.924 0.946 18221 12 1 2 "Average Difference" HN 99 0.364 0.030 0.365 18221 13 1 3 "Average Difference" N 99 2.214 0.263 2.210 18221 14 1 3 "Average Difference" HA 89 0.263 0.024 0.263 18221 15 1 3 "Average Difference" C 93 1.566 -0.717 1.400 18221 16 1 3 "Average Difference" CA 100 1.236 -0.213 1.223 18221 17 1 3 "Average Difference" CB 80 1.156 0.832 0.807 18221 18 1 3 "Average Difference" HN 99 0.356 0.053 0.354 18221 19 1 4 "Average Difference" N 99 2.557 0.188 2.563 18221 20 1 4 "Average Difference" HA 89 0.232 0.019 0.232 18221 21 1 4 "Average Difference" C 93 1.650 -0.757 1.474 18221 22 1 4 "Average Difference" CA 100 1.198 -0.133 1.197 18221 23 1 4 "Average Difference" CB 80 1.168 0.789 0.867 18221 24 1 4 "Average Difference" HN 99 0.388 0.021 0.389 18221 25 1 5 "Average Difference" N 99 2.319 0.344 2.305 18221 26 1 5 "Average Difference" HA 89 0.270 0.058 0.265 18221 27 1 5 "Average Difference" C 93 1.615 -0.767 1.429 18221 28 1 5 "Average Difference" CA 100 1.133 -0.141 1.130 18221 29 1 5 "Average Difference" CB 80 1.409 1.069 0.923 18221 30 1 5 "Average Difference" HN 99 0.388 0.073 0.383 18221 31 1 6 "Average Difference" N 99 2.218 0.175 2.223 18221 32 1 6 "Average Difference" HA 89 0.250 0.008 0.252 18221 33 1 6 "Average Difference" C 93 1.542 -0.714 1.374 18221 34 1 6 "Average Difference" CA 100 1.182 -0.157 1.177 18221 35 1 6 "Average Difference" CB 80 1.171 0.931 0.715 18221 36 1 6 "Average Difference" HN 99 0.394 0.094 0.384 18221 37 1 7 "Average Difference" N 99 2.128 0.313 2.115 18221 38 1 7 "Average Difference" HA 89 0.256 0.058 0.251 18221 39 1 7 "Average Difference" C 93 1.643 -0.780 1.454 18221 40 1 7 "Average Difference" CA 100 1.170 -0.147 1.166 18221 41 1 7 "Average Difference" CB 80 1.288 0.928 0.899 18221 42 1 7 "Average Difference" HN 99 0.383 0.044 0.382 18221 43 1 8 "Average Difference" N 99 2.517 0.652 2.443 18221 44 1 8 "Average Difference" HA 89 0.218 0.028 0.217 18221 45 1 8 "Average Difference" C 93 1.581 -0.762 1.393 18221 46 1 8 "Average Difference" CA 100 1.164 -0.241 1.145 18221 47 1 8 "Average Difference" CB 80 1.181 0.783 0.889 18221 48 1 8 "Average Difference" HN 99 0.370 0.092 0.360 18221 49 1 9 "Average Difference" N 99 2.284 0.183 2.288 18221 50 1 9 "Average Difference" HA 89 0.241 0.029 0.240 18221 51 1 9 "Average Difference" C 93 1.579 -0.814 1.360 18221 52 1 9 "Average Difference" CA 100 1.163 -0.307 1.128 18221 53 1 9 "Average Difference" CB 80 1.191 0.860 0.829 18221 54 1 9 "Average Difference" HN 99 0.395 0.043 0.394 18221 55 1 10 "Average Difference" N 99 2.569 0.363 2.557 18221 56 1 10 "Average Difference" HA 89 0.231 0.018 0.232 18221 57 1 10 "Average Difference" C 93 1.545 -0.650 1.409 18221 58 1 10 "Average Difference" CA 100 1.247 -0.103 1.249 18221 59 1 10 "Average Difference" CB 80 1.117 0.793 0.793 18221 60 1 10 "Average Difference" HN 99 0.383 0.078 0.377 18221 61 1 11 "Average Difference" N 99 2.623 0.255 2.624 18221 62 1 11 "Average Difference" HA 89 0.238 0.013 0.239 18221 63 1 11 "Average Difference" C 93 1.589 -0.649 1.458 18221 64 1 11 "Average Difference" CA 100 1.235 -0.258 1.214 18221 65 1 11 "Average Difference" CB 80 1.132 0.864 0.736 18221 66 1 11 "Average Difference" HN 99 0.396 0.041 0.396 18221 67 1 12 "Average Difference" N 99 2.444 0.240 2.445 18221 68 1 12 "Average Difference" HA 89 0.227 0.021 0.228 18221 69 1 12 "Average Difference" C 93 1.441 -0.636 1.300 18221 70 1 12 "Average Difference" CA 100 1.182 -0.143 1.180 18221 71 1 12 "Average Difference" CB 80 1.209 0.867 0.848 18221 72 1 12 "Average Difference" HN 99 0.364 0.064 0.360 18221 73 1 13 "Average Difference" N 99 2.467 0.477 2.433 18221 74 1 13 "Average Difference" HA 89 0.242 0.040 0.240 18221 75 1 13 "Average Difference" C 93 1.452 -0.736 1.259 18221 76 1 13 "Average Difference" CA 100 1.298 -0.254 1.280 18221 77 1 13 "Average Difference" CB 80 1.268 0.867 0.931 18221 78 1 13 "Average Difference" HN 99 0.380 0.054 0.378 18221 79 1 14 "Average Difference" N 99 2.303 0.454 2.270 18221 80 1 14 "Average Difference" HA 89 0.215 0.002 0.216 18221 81 1 14 "Average Difference" C 93 1.552 -0.697 1.395 18221 82 1 14 "Average Difference" CA 100 1.027 -0.188 1.015 18221 83 1 14 "Average Difference" CB 80 1.123 0.826 0.766 18221 84 1 14 "Average Difference" HN 99 0.370 0.116 0.353 18221 85 1 15 "Average Difference" N 99 2.225 0.312 2.214 18221 86 1 15 "Average Difference" HA 89 0.228 0.027 0.228 18221 87 1 15 "Average Difference" C 93 1.565 -0.706 1.404 18221 88 1 15 "Average Difference" CA 100 1.221 -0.152 1.218 18221 89 1 15 "Average Difference" CB 80 1.197 0.783 0.911 18221 90 1 15 "Average Difference" HN 99 0.413 0.065 0.410 18221 91 1 16 "Average Difference" N 99 2.396 0.508 2.353 18221 92 1 16 "Average Difference" HA 89 0.241 0.031 0.241 18221 93 1 16 "Average Difference" C 93 1.637 -0.787 1.443 18221 94 1 16 "Average Difference" CA 100 1.233 -0.238 1.216 18221 95 1 16 "Average Difference" CB 80 1.253 0.959 0.812 18221 96 1 16 "Average Difference" HN 99 0.357 0.068 0.352 18221 97 1 17 "Average Difference" N 99 2.124 0.123 2.131 18221 98 1 17 "Average Difference" HA 89 0.259 0.030 0.259 18221 99 1 17 "Average Difference" C 93 1.513 -0.660 1.369 18221 100 1 17 "Average Difference" CA 100 1.168 -0.239 1.149 18221 101 1 17 "Average Difference" CB 80 1.240 0.948 0.804 18221 102 1 17 "Average Difference" HN 99 0.372 0.056 0.370 18221 103 1 18 "Average Difference" N 99 1.978 0.061 1.987 18221 104 1 18 "Average Difference" HA 89 0.223 0.014 0.223 18221 105 1 18 "Average Difference" C 93 1.501 -0.688 1.341 18221 106 1 18 "Average Difference" CA 100 1.256 -0.144 1.255 18221 107 1 18 "Average Difference" CB 80 1.191 0.838 0.851 18221 108 1 18 "Average Difference" HN 99 0.370 0.079 0.363 18221 109 1 19 "Average Difference" N 99 2.605 0.330 2.597 18221 110 1 19 "Average Difference" HA 89 0.305 0.055 0.302 18221 111 1 19 "Average Difference" C 93 1.563 -0.695 1.407 18221 112 1 19 "Average Difference" CA 100 1.257 -0.187 1.249 18221 113 1 19 "Average Difference" CB 80 1.277 0.961 0.846 18221 114 1 19 "Average Difference" HN 99 0.385 0.075 0.379 18221 115 1 20 "Average Difference" N 99 2.591 0.120 2.601 18221 116 1 20 "Average Difference" HA 89 0.240 0.000 0.242 18221 117 1 20 "Average Difference" C 93 1.547 -0.721 1.376 18221 118 1 20 "Average Difference" CA 100 1.193 -0.188 1.184 18221 119 1 20 "Average Difference" CB 80 1.161 0.919 0.715 18221 120 1 20 "Average Difference" HN 99 0.349 0.048 0.348 18221 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 18221 _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 11 11 GLY N N 2 109.366 109.366 110.266 -0.900 18221 2 1 . 1 1 11 11 GLY C C 2 174.543 174.543 173.565 0.978 18221 3 1 . 1 1 11 11 GLY CA C 2 45.695 45.695 45.063 0.632 18221 4 1 . 1 1 11 11 GLY H H 2 8.271 8.271 8.394 -0.123 18221 5 1 . 1 1 12 12 LYS N N 3 121.129 121.129 121.147 -0.018 18221 6 1 . 1 1 12 12 LYS HA H 3 4.132 4.132 4.328 -0.196 18221 7 1 . 1 1 12 12 LYS C C 3 177.234 177.234 176.085 1.149 18221 8 1 . 1 1 12 12 LYS CA C 3 56.812 56.812 56.807 0.005 18221 9 1 . 1 1 12 12 LYS CB C 3 31.846 31.846 32.980 -1.134 18221 10 1 . 1 1 12 12 LYS H H 3 8.057 8.057 8.281 -0.224 18221 11 1 . 1 1 13 13 GLU N N 4 120.318 120.318 120.571 -0.253 18221 12 1 . 1 1 13 13 GLU HA H 4 4.155 4.155 4.262 -0.107 18221 13 1 . 1 1 13 13 GLU C C 4 176.857 176.857 176.020 0.837 18221 14 1 . 1 1 13 13 GLU CA C 4 56.871 56.871 56.964 -0.093 18221 15 1 . 1 1 13 13 GLU CB C 4 28.388 28.388 30.255 -1.867 18221 16 1 . 1 1 13 13 GLU H H 4 8.398 8.398 8.438 -0.040 18221 17 1 . 1 1 14 14 SER N N 5 115.504 115.504 116.560 -1.056 18221 18 1 . 1 1 14 14 SER HA H 5 3.843 3.843 4.498 -0.655 18221 19 1 . 1 1 14 14 SER C C 5 175.337 175.337 174.403 0.934 18221 20 1 . 1 1 14 14 SER CA C 5 58.524 58.524 58.525 -0.001 18221 21 1 . 1 1 14 14 SER CB C 5 63.360 63.360 63.684 -0.324 18221 22 1 . 1 1 14 14 SER H H 5 8.089 8.089 8.357 -0.269 18221 23 1 . 1 1 15 15 GLY N N 6 110.761 110.761 111.952 -1.191 18221 24 1 . 1 1 15 15 GLY C C 6 174.581 174.581 173.837 0.744 18221 25 1 . 1 1 15 15 GLY CA C 6 45.566 45.566 45.082 0.484 18221 26 1 . 1 1 15 15 GLY H H 6 8.197 8.197 8.334 -0.137 18221 27 1 . 1 1 16 16 TRP N N 7 121.800 121.800 122.758 -0.958 18221 28 1 . 1 1 16 16 TRP HA H 7 4.560 4.560 4.617 -0.057 18221 29 1 . 1 1 16 16 TRP C C 7 176.920 176.920 175.295 1.625 18221 30 1 . 1 1 16 16 TRP CA C 7 58.081 58.081 57.296 0.785 18221 31 1 . 1 1 16 16 TRP CB C 7 28.679 28.679 29.636 -0.957 18221 32 1 . 1 1 16 16 TRP H H 7 8.184 8.184 8.216 -0.032 18221 33 1 . 1 1 17 17 ASP N N 8 121.132 121.132 121.759 -0.627 18221 34 1 . 1 1 17 17 ASP HA H 8 4.395 4.395 4.610 -0.215 18221 35 1 . 1 1 17 17 ASP C C 8 176.941 176.941 175.316 1.625 18221 36 1 . 1 1 17 17 ASP CA C 8 56.244 56.244 54.443 1.801 18221 37 1 . 1 1 17 17 ASP CB C 8 39.945 39.945 41.514 -1.569 18221 38 1 . 1 1 17 17 ASP H H 8 8.332 8.332 8.185 0.147 18221 39 1 . 1 1 18 18 SER N N 9 116.148 116.148 116.938 -0.790 18221 40 1 . 1 1 18 18 SER HA H 9 3.861 3.861 4.515 -0.654 18221 41 1 . 1 1 18 18 SER CA C 9 60.081 60.081 58.256 1.826 18221 42 1 . 1 1 18 18 SER CB C 9 62.255 62.255 64.599 -2.344 18221 43 1 . 1 1 18 18 SER H H 9 8.129 8.129 8.400 -0.271 18221 44 1 . 1 1 19 19 GLY N N 10 110.747 110.747 111.153 -0.406 18221 45 1 . 1 1 19 19 GLY C C 10 174.682 174.682 175.454 -0.772 18221 46 1 . 1 1 19 19 GLY CA C 10 46.600 46.600 45.188 1.412 18221 47 1 . 1 1 19 19 GLY H H 10 8.216 8.216 8.362 -0.146 18221 48 1 . 1 1 20 20 ARG N N 11 121.405 121.405 121.043 0.362 18221 49 1 . 1 1 20 20 ARG HA H 11 3.857 3.857 4.119 -0.262 18221 50 1 . 1 1 20 20 ARG C C 11 178.328 178.328 178.762 -0.434 18221 51 1 . 1 1 20 20 ARG CA C 11 59.085 59.085 58.465 0.620 18221 52 1 . 1 1 20 20 ARG CB C 11 29.047 29.047 30.157 -1.110 18221 53 1 . 1 1 20 20 ARG H H 11 8.158 8.158 8.546 -0.388 18221 54 1 . 1 1 21 21 ALA N N 12 122.167 122.167 121.860 0.307 18221 55 1 . 1 1 21 21 ALA HA H 12 4.100 4.100 4.053 0.047 18221 56 1 . 1 1 21 21 ALA C C 12 180.129 180.129 179.359 0.770 18221 57 1 . 1 1 21 21 ALA CA C 12 54.392 54.392 54.660 -0.268 18221 58 1 . 1 1 21 21 ALA CB C 12 17.414 17.414 17.967 -0.553 18221 59 1 . 1 1 21 21 ALA H H 12 7.963 7.963 8.362 -0.399 18221 60 1 . 1 1 22 22 ALA N N 13 122.150 122.150 121.591 0.559 18221 61 1 . 1 1 22 22 ALA HA H 13 4.037 4.037 3.929 0.108 18221 62 1 . 1 1 22 22 ALA C C 13 179.095 179.095 179.737 -0.642 18221 63 1 . 1 1 22 22 ALA CA C 13 54.716 54.716 54.981 -0.265 18221 64 1 . 1 1 22 22 ALA CB C 13 17.561 17.561 18.025 -0.464 18221 65 1 . 1 1 22 22 ALA H H 13 7.881 7.881 8.044 -0.163 18221 66 1 . 1 1 23 23 VAL N N 14 117.107 117.107 118.592 -1.485 18221 67 1 . 1 1 23 23 VAL HA H 14 3.480 3.480 3.569 -0.089 18221 68 1 . 1 1 23 23 VAL C C 14 177.586 177.586 178.086 -0.500 18221 69 1 . 1 1 23 23 VAL CA C 14 66.198 66.198 65.861 0.337 18221 70 1 . 1 1 23 23 VAL CB C 14 30.520 30.520 30.909 -0.389 18221 71 1 . 1 1 23 23 VAL H H 14 7.888 7.888 8.112 -0.224 18221 72 1 . 1 1 24 24 ALA N N 15 121.333 121.333 121.836 -0.503 18221 73 1 . 1 1 24 24 ALA HA H 15 3.981 3.981 3.961 0.020 18221 74 1 . 1 1 24 24 ALA C C 15 180.373 180.373 179.372 1.001 18221 75 1 . 1 1 24 24 ALA CA C 15 55.011 55.011 55.171 -0.160 18221 76 1 . 1 1 24 24 ALA CB C 15 17.252 17.252 17.826 -0.574 18221 77 1 . 1 1 24 24 ALA H H 15 8.037 8.037 7.721 0.316 18221 78 1 . 1 1 25 25 ALA N N 16 121.158 121.158 119.585 1.573 18221 79 1 . 1 1 25 25 ALA HA H 16 4.146 4.146 4.140 0.006 18221 80 1 . 1 1 25 25 ALA C C 16 179.828 179.828 178.903 0.925 18221 81 1 . 1 1 25 25 ALA CA C 16 54.451 54.451 54.691 -0.240 18221 82 1 . 1 1 25 25 ALA CB C 16 17.487 17.487 18.440 -0.953 18221 83 1 . 1 1 25 25 ALA H H 16 7.819 7.819 7.857 -0.038 18221 84 1 . 1 1 26 26 VAL N N 17 118.417 118.417 116.414 2.003 18221 85 1 . 1 1 26 26 VAL HA H 17 3.778 3.778 3.884 -0.106 18221 86 1 . 1 1 26 26 VAL C C 17 178.020 178.020 177.035 0.985 18221 87 1 . 1 1 26 26 VAL CA C 17 65.578 65.578 64.004 1.574 18221 88 1 . 1 1 26 26 VAL CB C 17 31.085 31.085 31.844 -0.759 18221 89 1 . 1 1 26 26 VAL H H 17 7.848 7.848 7.455 0.393 18221 90 1 . 1 1 27 27 VAL N N 18 119.240 119.240 119.090 0.150 18221 91 1 . 1 1 27 27 VAL C C 18 177.719 177.719 176.839 0.880 18221 92 1 . 1 1 27 27 VAL CA C 18 65.991 65.991 64.175 1.816 18221 93 1 . 1 1 27 27 VAL CB C 18 30.187 30.187 32.132 -1.945 18221 94 1 . 1 1 27 27 VAL H H 18 8.377 8.377 7.549 0.828 18221 95 1 . 1 1 28 28 GLY N N 19 106.009 106.009 107.281 -1.272 18221 96 1 . 1 1 28 28 GLY C C 19 176.212 176.212 174.356 1.856 18221 97 1 . 1 1 28 28 GLY CA C 19 46.244 46.244 46.401 -0.157 18221 98 1 . 1 1 28 28 GLY H H 19 8.122 8.122 7.877 0.245 18221 99 1 . 1 1 29 29 GLY N N 20 110.216 110.216 112.337 -2.121 18221 100 1 . 1 1 29 29 GLY C C 20 174.097 174.097 175.116 -1.019 18221 101 1 . 1 1 29 29 GLY CA C 20 46.334 46.334 44.666 1.668 18221 102 1 . 1 1 29 29 GLY H H 20 8.039 8.039 7.909 0.130 18221 103 1 . 1 1 30 30 VAL N N 21 121.188 121.188 121.002 0.187 18221 104 1 . 1 1 30 30 VAL C C 21 177.073 177.073 177.387 -0.314 18221 105 1 . 1 1 30 30 VAL CA C 21 62.574 62.574 65.919 -3.345 18221 106 1 . 1 1 30 30 VAL CB C 21 30.790 30.790 31.637 -0.847 18221 107 1 . 1 1 30 30 VAL H H 21 7.983 7.983 7.940 0.043 18221 108 1 . 1 1 32 32 ALA N N 23 125.091 125.091 121.602 3.489 18221 109 1 . 1 1 32 32 ALA HA H 23 4.260 4.260 4.060 0.200 18221 110 1 . 1 1 32 32 ALA C C 23 179.523 179.523 179.941 -0.418 18221 111 1 . 1 1 32 32 ALA CA C 23 53.683 53.683 55.117 -1.434 18221 112 1 . 1 1 32 32 ALA CB C 23 16.383 16.383 18.013 -1.630 18221 113 1 . 1 1 32 32 ALA H H 23 8.036 8.036 8.030 0.006 18221 114 1 . 1 1 33 33 VAL N N 24 118.793 118.793 117.413 1.380 18221 115 1 . 1 1 33 33 VAL HA H 24 3.708 3.708 3.702 0.006 18221 116 1 . 1 1 33 33 VAL C C 24 177.901 177.901 178.224 -0.323 18221 117 1 . 1 1 33 33 VAL CA C 24 65.430 65.430 65.749 -0.319 18221 118 1 . 1 1 33 33 VAL CB C 24 31.318 31.318 31.128 0.190 18221 119 1 . 1 1 33 33 VAL H H 24 8.195 8.195 8.121 0.074 18221 120 1 . 1 1 34 34 GLY N N 25 108.367 108.367 108.577 -0.210 18221 121 1 . 1 1 34 34 GLY C C 25 175.424 175.424 175.829 -0.405 18221 122 1 . 1 1 34 34 GLY CA C 25 47.334 47.334 47.559 -0.225 18221 123 1 . 1 1 34 34 GLY H H 25 8.651 8.651 8.332 0.319 18221 124 1 . 1 1 35 35 THR N N 26 116.448 116.448 119.364 -2.916 18221 125 1 . 1 1 35 35 THR C C 26 176.843 176.843 176.894 -0.051 18221 126 1 . 1 1 35 35 THR CA C 26 65.962 65.962 67.102 -1.140 18221 127 1 . 1 1 35 35 THR CB C 26 68.414 68.414 68.727 -0.312 18221 128 1 . 1 1 35 35 THR H H 26 7.975 7.975 8.270 -0.295 18221 129 1 . 1 1 36 36 VAL N N 27 122.810 122.810 121.462 1.349 18221 130 1 . 1 1 36 36 VAL HA H 27 3.719 3.719 3.620 0.099 18221 131 1 . 1 1 36 36 VAL C C 27 177.618 177.618 177.504 0.114 18221 132 1 . 1 1 36 36 VAL CA C 27 65.726 65.726 66.543 -0.817 18221 133 1 . 1 1 36 36 VAL CB C 27 30.667 30.667 31.504 -0.837 18221 134 1 . 1 1 36 36 VAL H H 27 7.559 7.559 8.046 -0.487 18221 135 1 . 1 1 37 37 LEU N N 28 119.566 119.566 120.545 -0.979 18221 136 1 . 1 1 37 37 LEU HA H 28 3.953 3.953 3.928 0.025 18221 137 1 . 1 1 37 37 LEU C C 28 179.666 179.666 178.863 0.803 18221 138 1 . 1 1 37 37 LEU CA C 28 57.845 57.845 58.349 -0.504 18221 139 1 . 1 1 37 37 LEU CB C 28 40.166 40.166 41.651 -1.485 18221 140 1 . 1 1 37 37 LEU H H 28 8.086 8.086 7.794 0.292 18221 141 1 . 1 1 38 38 VAL N N 29 119.468 119.468 118.470 0.998 18221 142 1 . 1 1 38 38 VAL HA H 29 3.653 3.653 3.512 0.141 18221 143 1 . 1 1 38 38 VAL C C 29 178.639 178.639 177.928 0.711 18221 144 1 . 1 1 38 38 VAL CA C 29 65.473 65.473 66.331 -0.858 18221 145 1 . 1 1 38 38 VAL CB C 29 30.609 30.609 31.189 -0.580 18221 146 1 . 1 1 38 38 VAL H H 29 8.066 8.066 8.343 -0.277 18221 147 1 . 1 1 39 39 ALA N N 30 124.255 124.255 122.325 1.930 18221 148 1 . 1 1 39 39 ALA HA H 30 4.165 4.165 4.079 0.086 18221 149 1 . 1 1 39 39 ALA C C 30 180.303 180.303 179.391 0.912 18221 150 1 . 1 1 39 39 ALA CA C 30 54.834 54.834 55.019 -0.185 18221 151 1 . 1 1 39 39 ALA CB C 30 17.708 17.708 18.417 -0.709 18221 152 1 . 1 1 39 39 ALA H H 30 7.688 7.688 7.834 -0.146 18221 153 1 . 1 1 40 40 LEU N N 31 118.268 118.268 118.853 -0.585 18221 154 1 . 1 1 40 40 LEU HA H 31 4.141 4.141 4.022 0.119 18221 155 1 . 1 1 40 40 LEU C C 31 179.271 179.271 178.984 0.287 18221 156 1 . 1 1 40 40 LEU CA C 31 57.078 57.078 57.666 -0.588 18221 157 1 . 1 1 40 40 LEU CB C 31 40.902 40.902 41.649 -0.747 18221 158 1 . 1 1 40 40 LEU H H 31 8.326 8.326 8.051 0.275 18221 159 1 . 1 1 41 41 SER N N 32 114.984 114.984 114.121 0.863 18221 160 1 . 1 1 41 41 SER HA H 32 3.952 3.952 4.176 -0.224 18221 161 1 . 1 1 41 41 SER C C 32 176.284 176.284 175.671 0.613 18221 162 1 . 1 1 41 41 SER CA C 32 60.885 60.885 60.927 -0.043 18221 163 1 . 1 1 41 41 SER CB C 32 62.410 62.410 63.350 -0.940 18221 164 1 . 1 1 41 41 SER H H 32 8.062 8.062 8.215 -0.153 18221 165 1 . 1 1 42 42 ALA N N 33 124.588 124.588 123.043 1.545 18221 166 1 . 1 1 42 42 ALA HA H 33 4.225 4.225 4.262 -0.037 18221 167 1 . 1 1 42 42 ALA C C 33 179.033 179.033 177.774 1.259 18221 168 1 . 1 1 42 42 ALA CA C 33 53.713 53.713 52.609 1.104 18221 169 1 . 1 1 42 42 ALA CB C 33 17.929 17.929 18.530 -0.601 18221 170 1 . 1 1 42 42 ALA H H 33 7.813 7.813 7.932 -0.119 18221 171 1 . 1 1 43 43 MET N N 34 116.808 116.808 117.546 -0.738 18221 172 1 . 1 1 43 43 MET HA H 34 4.285 4.285 4.337 -0.052 18221 173 1 . 1 1 43 43 MET C C 34 176.807 176.807 176.496 0.310 18221 174 1 . 1 1 43 43 MET CA C 34 56.576 56.576 56.723 -0.147 18221 175 1 . 1 1 43 43 MET CB C 34 32.435 32.435 32.430 0.005 18221 176 1 . 1 1 43 43 MET H H 34 7.691 7.691 8.088 -0.397 18221 177 1 . 1 1 44 44 GLY N N 35 107.020 107.020 106.454 0.566 18221 178 1 . 1 1 44 44 GLY C C 35 174.493 174.493 173.824 0.669 18221 179 1 . 1 1 44 44 GLY CA C 35 45.065 45.065 45.159 -0.094 18221 180 1 . 1 1 44 44 GLY H H 35 7.793 7.793 8.135 -0.342 18221 181 1 . 1 1 45 45 PHE N N 36 120.285 120.285 119.442 0.843 18221 182 1 . 1 1 45 45 PHE HA H 36 4.507 4.507 4.564 -0.057 18221 183 1 . 1 1 45 45 PHE C C 36 176.876 176.876 174.527 2.349 18221 184 1 . 1 1 45 45 PHE CA C 36 58.937 58.937 57.861 1.076 18221 185 1 . 1 1 45 45 PHE CB C 36 38.178 38.178 39.467 -1.288 18221 186 1 . 1 1 45 45 PHE H H 36 8.215 8.215 7.973 0.242 18221 187 1 . 1 1 46 46 THR N N 37 114.008 114.008 115.530 -1.522 18221 188 1 . 1 1 46 46 THR HA H 37 4.080 4.080 4.304 -0.224 18221 189 1 . 1 1 46 46 THR C C 37 175.751 175.751 173.940 1.811 18221 190 1 . 1 1 46 46 THR CA C 37 64.220 64.220 62.304 1.916 18221 191 1 . 1 1 46 46 THR CB C 37 68.514 68.514 69.687 -1.173 18221 192 1 . 1 1 46 46 THR H H 37 8.111 8.111 7.910 0.201 18221 193 1 . 1 1 47 47 SER N N 38 116.646 116.646 117.060 -0.414 18221 194 1 . 1 1 47 47 SER HA H 38 3.918 3.918 4.459 -0.541 18221 195 1 . 1 1 47 47 SER C C 38 176.744 176.744 174.992 1.752 18221 196 1 . 1 1 47 47 SER CA C 38 59.911 59.911 59.246 0.665 18221 197 1 . 1 1 47 47 SER CB C 38 62.624 62.624 63.467 -0.844 18221 198 1 . 1 1 47 47 SER H H 38 8.079 8.079 8.379 -0.300 18221 199 1 . 1 1 48 48 VAL N N 39 121.929 121.929 122.042 -0.113 18221 200 1 . 1 1 48 48 VAL HA H 39 3.909 3.909 3.771 0.138 18221 201 1 . 1 1 48 48 VAL C C 39 177.033 177.033 177.498 -0.465 18221 202 1 . 1 1 48 48 VAL CA C 39 64.988 64.988 65.434 -0.446 18221 203 1 . 1 1 48 48 VAL CB C 39 30.667 30.667 31.205 -0.538 18221 204 1 . 1 1 48 48 VAL H H 39 7.985 7.985 8.005 -0.020 18221 205 1 . 1 1 49 49 GLY N N 40 108.633 108.633 108.349 0.284 18221 206 1 . 1 1 49 49 GLY C C 40 176.038 176.038 176.377 -0.339 18221 207 1 . 1 1 49 49 GLY CA C 40 46.865 46.865 47.598 -0.733 18221 208 1 . 1 1 49 49 GLY H H 40 8.267 8.267 8.482 -0.215 18221 209 1 . 1 1 50 50 ILE N N 41 122.466 122.466 122.434 0.032 18221 210 1 . 1 1 50 50 ILE HA H 41 3.871 3.871 3.673 0.198 18221 211 1 . 1 1 50 50 ILE C C 41 178.363 178.363 177.811 0.552 18221 212 1 . 1 1 50 50 ILE CA C 41 63.515 63.515 64.018 -0.503 18221 213 1 . 1 1 50 50 ILE CB C 41 37.238 37.238 37.512 -0.274 18221 214 1 . 1 1 50 50 ILE H H 41 7.865 7.865 7.891 -0.026 18221 215 1 . 1 1 51 51 ALA N N 42 125.064 125.064 121.560 3.504 18221 216 1 . 1 1 51 51 ALA HA H 42 4.099 4.099 3.913 0.186 18221 217 1 . 1 1 51 51 ALA C C 42 179.385 179.385 179.308 0.077 18221 218 1 . 1 1 51 51 ALA CA C 42 54.480 54.480 55.174 -0.695 18221 219 1 . 1 1 51 51 ALA CB C 42 17.487 17.487 17.938 -0.451 18221 220 1 . 1 1 51 51 ALA H H 42 7.930 7.930 8.113 -0.183 18221 221 1 . 1 1 52 52 ALA N N 43 120.594 120.594 120.275 0.319 18221 222 1 . 1 1 52 52 ALA HA H 43 3.937 3.937 4.040 -0.103 18221 223 1 . 1 1 52 52 ALA C C 43 179.088 179.088 179.954 -0.865 18221 224 1 . 1 1 52 52 ALA CA C 43 55.100 55.100 54.828 0.272 18221 225 1 . 1 1 52 52 ALA CB C 43 17.635 17.635 18.026 -0.391 18221 226 1 . 1 1 52 52 ALA H H 43 8.639 8.639 8.170 0.469 18221 227 1 . 1 1 53 53 SER N N 44 113.012 113.012 114.994 -1.982 18221 228 1 . 1 1 53 53 SER HA H 44 3.966 3.966 4.215 -0.249 18221 229 1 . 1 1 53 53 SER C C 44 176.898 176.898 176.796 0.102 18221 230 1 . 1 1 53 53 SER CA C 44 61.139 61.139 61.696 -0.557 18221 231 1 . 1 1 53 53 SER CB C 44 62.347 62.347 62.978 -0.632 18221 232 1 . 1 1 53 53 SER H H 44 8.193 8.193 8.189 0.004 18221 233 1 . 1 1 54 54 SER N N 45 118.714 118.714 118.487 0.227 18221 234 1 . 1 1 54 54 SER HA H 45 3.975 3.975 4.150 -0.175 18221 235 1 . 1 1 54 54 SER C C 45 177.131 177.131 176.632 0.499 18221 236 1 . 1 1 54 54 SER CA C 45 61.210 61.210 62.078 -0.868 18221 237 1 . 1 1 54 54 SER CB C 45 62.255 62.255 63.004 -0.749 18221 238 1 . 1 1 54 54 SER H H 45 7.944 7.944 8.164 -0.220 18221 239 1 . 1 1 55 55 ILE N N 46 122.912 122.912 120.765 2.147 18221 240 1 . 1 1 55 55 ILE HA H 46 3.757 3.757 3.751 0.006 18221 241 1 . 1 1 55 55 ILE C C 46 177.813 177.813 177.154 0.659 18221 242 1 . 1 1 55 55 ILE CA C 46 64.191 64.191 64.310 -0.119 18221 243 1 . 1 1 55 55 ILE CB C 46 36.926 36.926 37.756 -0.830 18221 244 1 . 1 1 55 55 ILE H H 46 8.028 8.028 8.191 -0.163 18221 245 1 . 1 1 56 56 ALA N N 47 122.990 122.990 121.650 1.340 18221 246 1 . 1 1 56 56 ALA HA H 47 3.956 3.956 4.012 -0.056 18221 247 1 . 1 1 56 56 ALA C C 47 180.294 180.294 179.053 1.241 18221 248 1 . 1 1 56 56 ALA CA C 47 54.338 54.338 54.443 -0.105 18221 249 1 . 1 1 56 56 ALA CB C 47 17.702 17.702 18.657 -0.955 18221 250 1 . 1 1 56 56 ALA H H 47 8.333 8.333 7.765 0.568 18221 251 1 . 1 1 57 57 ALA N N 48 121.988 121.988 121.303 0.685 18221 252 1 . 1 1 57 57 ALA HA H 48 4.068 4.068 4.089 -0.021 18221 253 1 . 1 1 57 57 ALA CA C 48 54.421 54.421 53.288 1.133 18221 254 1 . 1 1 57 57 ALA CB C 48 17.702 17.702 19.357 -1.655 18221 255 1 . 1 1 57 57 ALA H H 48 7.879 7.879 7.909 -0.030 18221 256 1 . 1 1 58 58 LYS N N 49 119.094 119.094 116.145 2.949 18221 257 1 . 1 1 58 58 LYS HA H 49 4.146 4.146 4.062 0.084 18221 258 1 . 1 1 58 58 LYS C C 49 179.649 179.649 175.812 3.837 18221 259 1 . 1 1 58 58 LYS CA C 49 57.157 57.157 56.992 0.165 18221 260 1 . 1 1 58 58 LYS CB C 49 31.330 31.330 32.020 -0.690 18221 261 1 . 1 1 58 58 LYS H H 49 7.727 7.727 8.143 -0.416 18221 262 1 . 1 1 59 59 MET N N 50 120.498 120.498 119.861 0.636 18221 263 1 . 1 1 59 59 MET HA H 50 4.156 4.156 4.420 -0.264 18221 264 1 . 1 1 59 59 MET C C 50 177.949 177.949 175.543 2.406 18221 265 1 . 1 1 59 59 MET CA C 50 57.136 57.136 56.026 1.110 18221 266 1 . 1 1 59 59 MET CB C 50 31.922 31.922 33.164 -1.242 18221 267 1 . 1 1 59 59 MET H H 50 8.395 8.395 8.344 0.051 18221 268 1 . 1 1 60 60 MET N N 51 117.689 117.689 121.708 -4.019 18221 269 1 . 1 1 60 60 MET HA H 51 4.222 4.222 4.454 -0.232 18221 270 1 . 1 1 60 60 MET C C 51 177.674 177.674 175.430 2.244 18221 271 1 . 1 1 60 60 MET CA C 51 57.638 57.638 55.882 1.756 18221 272 1 . 1 1 60 60 MET CB C 51 31.785 31.785 32.961 -1.176 18221 273 1 . 1 1 60 60 MET H H 51 8.234 8.234 8.305 -0.071 18221 274 1 . 1 1 61 61 SER N N 52 114.385 114.385 117.032 -2.647 18221 275 1 . 1 1 61 61 SER HA H 52 4.001 4.001 4.518 -0.517 18221 276 1 . 1 1 61 61 SER C C 52 176.079 176.079 174.104 1.975 18221 277 1 . 1 1 61 61 SER CA C 52 59.911 59.911 58.778 1.133 18221 278 1 . 1 1 61 61 SER CB C 52 62.624 62.624 63.856 -1.231 18221 279 1 . 1 1 61 61 SER H H 52 7.893 7.893 8.366 -0.473 18221 280 1 . 1 1 62 62 THR N N 53 117.304 117.304 117.274 0.030 18221 281 1 . 1 1 62 62 THR HA H 53 4.104 4.104 4.383 -0.279 18221 282 1 . 1 1 62 62 THR C C 53 175.436 175.436 173.857 1.579 18221 283 1 . 1 1 62 62 THR CA C 53 64.220 64.220 62.549 1.672 18221 284 1 . 1 1 62 62 THR CB C 53 68.514 68.514 69.383 -0.869 18221 285 1 . 1 1 62 62 THR H H 53 7.794 7.794 8.175 -0.381 18221 286 1 . 1 1 63 63 ALA N N 54 125.382 125.382 126.419 -1.037 18221 287 1 . 1 1 63 63 ALA HA H 54 4.094 4.094 4.290 -0.196 18221 288 1 . 1 1 63 63 ALA C C 54 178.328 178.328 176.290 2.038 18221 289 1 . 1 1 63 63 ALA CA C 54 54.096 54.096 52.624 1.472 18221 290 1 . 1 1 63 63 ALA CB C 54 17.708 17.708 19.195 -1.487 18221 291 1 . 1 1 63 63 ALA H H 54 8.204 8.204 8.242 -0.038 18221 292 1 . 1 1 64 64 ALA N N 55 119.929 119.929 123.173 -3.244 18221 293 1 . 1 1 64 64 ALA HA H 55 4.125 4.125 4.415 -0.290 18221 294 1 . 1 1 64 64 ALA C C 55 179.183 179.183 176.848 2.335 18221 295 1 . 1 1 64 64 ALA CA C 55 54.037 54.037 52.106 1.931 18221 296 1 . 1 1 64 64 ALA CB C 55 17.708 17.708 19.364 -1.656 18221 297 1 . 1 1 64 64 ALA H H 55 7.951 7.951 8.139 -0.188 18221 298 1 . 1 1 65 65 ILE N N 56 117.016 117.016 120.101 -3.085 18221 299 1 . 1 1 65 65 ILE HA H 56 3.950 3.950 4.152 -0.202 18221 300 1 . 1 1 65 65 ILE C C 56 177.222 177.222 175.484 1.738 18221 301 1 . 1 1 65 65 ILE CA C 56 62.184 62.184 61.575 0.609 18221 302 1 . 1 1 65 65 ILE CB C 56 37.073 37.073 37.965 -0.892 18221 303 1 . 1 1 65 65 ILE H H 56 7.561 7.561 8.322 -0.761 18221 304 1 . 1 1 66 66 ALA N N 57 124.191 124.191 126.398 -2.207 18221 305 1 . 1 1 66 66 ALA HA H 57 4.177 4.177 4.272 -0.095 18221 306 1 . 1 1 66 66 ALA C C 57 178.190 178.190 176.353 1.837 18221 307 1 . 1 1 66 66 ALA CA C 57 53.536 53.536 52.333 1.203 18221 308 1 . 1 1 66 66 ALA CB C 57 17.929 17.929 18.986 -1.057 18221 309 1 . 1 1 66 66 ALA H H 57 7.982 7.982 8.149 -0.167 18221 310 1 . 1 1 67 67 ASN N N 58 116.132 116.132 119.107 -2.975 18221 311 1 . 1 1 67 67 ASN HA H 58 4.673 4.673 4.630 0.043 18221 312 1 . 1 1 67 67 ASN C C 58 176.344 176.344 175.325 1.019 18221 313 1 . 1 1 67 67 ASN CA C 58 53.477 53.477 53.457 0.020 18221 314 1 . 1 1 67 67 ASN CB C 58 38.472 38.472 38.929 -0.457 18221 315 1 . 1 1 67 67 ASN H H 58 8.113 8.113 8.385 -0.272 18221 316 1 . 1 1 68 68 GLY N N 59 108.808 108.808 110.385 -1.577 18221 317 1 . 1 1 68 68 GLY C C 59 174.958 174.958 173.917 1.041 18221 318 1 . 1 1 68 68 GLY CA C 59 45.655 45.655 45.200 0.455 18221 319 1 . 1 1 68 68 GLY H H 59 8.152 8.152 8.362 -0.210 18221 320 1 . 1 1 69 69 GLY N N 60 108.832 108.832 109.530 -0.698 18221 321 1 . 1 1 69 69 GLY C C 60 174.631 174.631 174.452 0.179 18221 322 1 . 1 1 69 69 GLY CA C 60 45.419 45.419 45.028 0.391 18221 323 1 . 1 1 69 69 GLY H H 60 8.218 8.218 8.241 -0.023 18221 324 1 . 1 1 70 70 GLY N N 61 108.966 108.966 109.822 -0.856 18221 325 1 . 1 1 70 70 GLY C C 61 174.594 174.594 174.108 0.486 18221 326 1 . 1 1 70 70 GLY CA C 61 45.360 45.360 44.879 0.481 18221 327 1 . 1 1 70 70 GLY H H 61 8.175 8.175 7.982 0.193 18221 328 1 . 1 1 71 71 VAL N N 62 120.209 120.209 119.875 0.334 18221 329 1 . 1 1 71 71 VAL HA H 62 4.006 4.006 3.939 0.067 18221 330 1 . 1 1 71 71 VAL C C 62 176.077 176.077 176.438 -0.361 18221 331 1 . 1 1 71 71 VAL CA C 62 62.390 62.390 63.083 -0.694 18221 332 1 . 1 1 71 71 VAL CB C 62 31.698 31.698 32.165 -0.467 18221 333 1 . 1 1 71 71 VAL H H 62 7.882 7.882 8.249 -0.367 18221 334 1 . 1 1 72 72 ALA N N 63 126.966 126.966 124.054 2.912 18221 335 1 . 1 1 72 72 ALA HA H 63 4.026 4.026 4.232 -0.206 18221 336 1 . 1 1 72 72 ALA C C 63 178.064 178.064 176.440 1.624 18221 337 1 . 1 1 72 72 ALA CA C 63 52.503 52.503 52.938 -0.435 18221 338 1 . 1 1 72 72 ALA CB C 63 18.225 18.225 18.544 -0.319 18221 339 1 . 1 1 72 72 ALA H H 63 8.237 8.237 8.164 0.073 18221 340 1 . 1 1 73 73 ALA N N 64 123.432 123.432 122.348 1.084 18221 341 1 . 1 1 73 73 ALA HA H 64 4.015 4.015 4.374 -0.359 18221 342 1 . 1 1 73 73 ALA C C 64 178.995 178.995 176.798 2.197 18221 343 1 . 1 1 73 73 ALA CA C 64 54.421 54.421 52.352 2.069 18221 344 1 . 1 1 73 73 ALA CB C 64 18.003 18.003 19.709 -1.707 18221 345 1 . 1 1 73 73 ALA H H 64 8.421 8.421 8.112 0.309 18221 346 1 . 1 1 74 74 GLY N N 65 105.577 105.577 108.288 -2.711 18221 347 1 . 1 1 74 74 GLY C C 65 176.367 176.367 175.216 1.151 18221 348 1 . 1 1 74 74 GLY CA C 65 46.244 46.244 45.002 1.242 18221 349 1 . 1 1 74 74 GLY H H 65 8.448 8.448 7.936 0.512 18221 350 1 . 1 1 75 75 SER N N 66 117.656 117.656 117.182 0.474 18221 351 1 . 1 1 75 75 SER HA H 66 4.394 4.394 4.210 0.184 18221 352 1 . 1 1 75 75 SER C C 66 176.329 176.329 176.661 -0.332 18221 353 1 . 1 1 75 75 SER CA C 66 60.236 60.236 60.938 -0.702 18221 354 1 . 1 1 75 75 SER CB C 66 62.476 62.476 63.028 -0.552 18221 355 1 . 1 1 75 75 SER H H 66 7.899 7.899 8.501 -0.602 18221 356 1 . 1 1 76 76 LEU N N 67 122.743 122.743 121.687 1.056 18221 357 1 . 1 1 76 76 LEU HA H 67 4.050 4.050 4.000 0.050 18221 358 1 . 1 1 76 76 LEU C C 67 178.442 178.442 178.438 0.004 18221 359 1 . 1 1 76 76 LEU CA C 67 57.520 57.520 57.776 -0.256 18221 360 1 . 1 1 76 76 LEU CB C 67 40.681 40.681 41.584 -0.903 18221 361 1 . 1 1 76 76 LEU H H 67 7.955 7.955 8.095 -0.140 18221 362 1 . 1 1 77 77 VAL N N 68 118.400 118.400 118.385 0.015 18221 363 1 . 1 1 77 77 VAL HA H 68 3.471 3.471 3.517 -0.046 18221 364 1 . 1 1 77 77 VAL C C 68 177.297 177.297 177.496 -0.199 18221 365 1 . 1 1 77 77 VAL CA C 68 66.670 66.670 66.333 0.337 18221 366 1 . 1 1 77 77 VAL CB C 68 30.520 30.520 30.940 -0.420 18221 367 1 . 1 1 77 77 VAL H H 68 8.039 8.039 8.141 -0.102 18221 368 1 . 1 1 78 78 ALA N N 69 121.927 121.927 122.140 -0.213 18221 369 1 . 1 1 78 78 ALA HA H 69 4.205 4.205 4.044 0.161 18221 370 1 . 1 1 78 78 ALA C C 69 181.258 181.258 179.572 1.686 18221 371 1 . 1 1 78 78 ALA CA C 69 54.982 54.982 55.273 -0.291 18221 372 1 . 1 1 78 78 ALA CB C 69 17.414 17.414 18.076 -0.662 18221 373 1 . 1 1 78 78 ALA H H 69 7.631 7.631 7.947 -0.316 18221 374 1 . 1 1 79 79 ILE N N 70 119.782 119.782 118.837 0.945 18221 375 1 . 1 1 79 79 ILE HA H 70 3.796 3.796 3.774 0.022 18221 376 1 . 1 1 79 79 ILE C C 70 178.253 178.253 177.875 0.378 18221 377 1 . 1 1 79 79 ILE CA C 70 64.352 64.352 64.183 0.169 18221 378 1 . 1 1 79 79 ILE CB C 70 37.073 37.073 37.694 -0.621 18221 379 1 . 1 1 79 79 ILE H H 70 7.841 7.841 7.467 0.374 18221 380 1 . 1 1 80 80 LEU N N 71 120.841 120.841 121.000 -0.159 18221 381 1 . 1 1 80 80 LEU HA H 71 3.937 3.937 3.805 0.132 18221 382 1 . 1 1 80 80 LEU C C 71 179.234 179.234 178.728 0.506 18221 383 1 . 1 1 80 80 LEU CA C 71 57.845 57.845 58.473 -0.628 18221 384 1 . 1 1 80 80 LEU CB C 71 40.019 40.019 41.569 -1.549 18221 385 1 . 1 1 80 80 LEU H H 71 8.190 8.190 8.320 -0.130 18221 386 1 . 1 1 81 81 GLN N N 72 117.558 117.558 117.670 -0.112 18221 387 1 . 1 1 81 81 GLN HA H 72 3.969 3.969 3.929 0.041 18221 388 1 . 1 1 81 81 GLN C C 72 178.530 178.530 178.675 -0.145 18221 389 1 . 1 1 81 81 GLN CA C 72 58.819 58.819 59.150 -0.331 18221 390 1 . 1 1 81 81 GLN CB C 72 27.280 27.280 28.546 -1.266 18221 391 1 . 1 1 81 81 GLN H H 72 8.489 8.489 8.308 0.181 18221 392 1 . 1 1 82 82 SER N N 73 116.103 116.103 115.681 0.422 18221 393 1 . 1 1 82 82 SER HA H 73 4.233 4.233 4.156 0.077 18221 394 1 . 1 1 82 82 SER C C 73 177.243 177.243 176.791 0.452 18221 395 1 . 1 1 82 82 SER CA C 73 61.044 61.044 61.853 -0.808 18221 396 1 . 1 1 82 82 SER CB C 73 62.257 62.257 63.076 -0.819 18221 397 1 . 1 1 82 82 SER H H 73 7.855 7.855 8.086 -0.231 18221 398 1 . 1 1 83 83 VAL N N 74 120.362 120.362 120.953 -0.591 18221 399 1 . 1 1 83 83 VAL C C 74 177.979 177.979 177.669 0.310 18221 400 1 . 1 1 83 83 VAL CA C 74 65.106 65.106 65.876 -0.770 18221 401 1 . 1 1 83 83 VAL CB C 74 30.741 30.741 31.350 -0.609 18221 402 1 . 1 1 83 83 VAL H H 74 8.030 8.030 8.165 -0.135 18221 403 1 . 1 1 84 84 GLY N N 75 108.223 108.223 106.993 1.230 18221 404 1 . 1 1 84 84 GLY C C 75 174.913 174.913 175.513 -0.600 18221 405 1 . 1 1 84 84 GLY CA C 75 46.777 46.777 47.035 -0.258 18221 406 1 . 1 1 84 84 GLY H H 75 8.369 8.369 7.867 0.502 18221 407 1 . 1 1 85 85 ALA N N 76 123.550 123.550 124.520 -0.970 18221 408 1 . 1 1 85 85 ALA HA H 76 4.094 4.094 4.069 0.025 18221 409 1 . 1 1 85 85 ALA CA C 76 54.598 54.598 54.908 -0.310 18221 410 1 . 1 1 85 85 ALA CB C 76 17.623 17.623 18.317 -0.694 18221 411 1 . 1 1 85 85 ALA H H 76 8.115 8.115 8.162 -0.047 18221 412 1 . 1 1 86 86 ALA N N 77 120.410 120.410 121.065 -0.655 18221 413 1 . 1 1 86 86 ALA C C 77 178.988 178.988 179.595 -0.607 18221 414 1 . 1 1 86 86 ALA CA C 77 54.836 54.836 55.293 -0.457 18221 415 1 . 1 1 86 86 ALA CB C 77 17.510 17.510 17.990 -0.480 18221 416 1 . 1 1 86 86 ALA H H 77 8.632 8.632 8.320 0.312 18221 417 1 . 1 1 87 87 GLY N N 78 105.706 105.706 107.302 -1.596 18221 418 1 . 1 1 87 87 GLY C C 78 175.939 175.939 176.090 -0.151 18221 419 1 . 1 1 87 87 GLY CA C 78 46.118 46.118 46.957 -0.839 18221 420 1 . 1 1 87 87 GLY H H 78 8.196 8.196 7.903 0.293 18221 421 1 . 1 1 88 88 LEU N N 79 124.128 124.128 121.826 2.302 18221 422 1 . 1 1 88 88 LEU CA C 79 57.402 57.402 57.637 -0.235 18221 423 1 . 1 1 88 88 LEU CB C 79 40.387 40.387 41.695 -1.308 18221 424 1 . 1 1 88 88 LEU H H 79 8.449 8.449 8.084 0.366 18221 425 1 . 1 1 89 89 SER N N 80 116.251 116.251 115.089 1.162 18221 426 1 . 1 1 89 89 SER C C 80 179.153 179.153 176.541 2.612 18221 427 1 . 1 1 89 89 SER CA C 80 61.023 61.023 62.096 -1.073 18221 428 1 . 1 1 89 89 SER CB C 80 62.255 62.255 62.938 -0.683 18221 429 1 . 1 1 89 89 SER H H 80 8.120 8.120 8.239 -0.119 18221 430 1 . 1 1 90 90 VAL N N 81 119.310 119.310 121.319 -2.009 18221 431 1 . 1 1 90 90 VAL C C 81 177.652 177.652 177.952 -0.300 18221 432 1 . 1 1 90 90 VAL CA C 81 65.076 65.076 65.791 -0.716 18221 433 1 . 1 1 90 90 VAL CB C 81 31.330 31.330 31.429 -0.099 18221 434 1 . 1 1 90 90 VAL H H 81 7.955 7.955 8.160 -0.205 18221 435 1 . 1 1 91 91 THR N N 82 115.535 115.535 116.617 -1.082 18221 436 1 . 1 1 91 91 THR C C 82 176.571 176.571 176.672 -0.101 18221 437 1 . 1 1 91 91 THR CA C 82 66.434 66.434 67.127 -0.693 18221 438 1 . 1 1 91 91 THR CB C 82 67.742 67.742 68.508 -0.766 18221 439 1 . 1 1 91 91 THR H H 82 7.888 7.888 8.448 -0.560 18221 440 1 . 1 1 92 92 SER N N 83 116.537 116.537 117.739 -1.202 18221 441 1 . 1 1 92 92 SER HA H 83 4.040 4.040 3.990 0.050 18221 442 1 . 1 1 92 92 SER C C 83 176.761 176.761 176.510 0.251 18221 443 1 . 1 1 92 92 SER CA C 83 61.564 61.564 61.933 -0.369 18221 444 1 . 1 1 92 92 SER CB C 83 62.009 62.009 62.860 -0.851 18221 445 1 . 1 1 92 92 SER H H 83 8.212 8.212 8.088 0.124 18221 446 1 . 1 1 93 93 LYS N N 84 122.353 122.353 121.234 1.119 18221 447 1 . 1 1 93 93 LYS HA H 84 4.119 4.119 3.991 0.128 18221 448 1 . 1 1 93 93 LYS C C 84 172.812 172.812 179.116 -6.304 18221 449 1 . 1 1 93 93 LYS CA C 84 58.435 58.435 59.470 -1.035 18221 450 1 . 1 1 93 93 LYS CB C 84 31.477 31.477 32.457 -0.980 18221 451 1 . 1 1 93 93 LYS H H 84 7.642 7.642 8.209 -0.567 18221 452 1 . 1 1 94 94 VAL N N 85 119.348 119.348 118.178 1.170 18221 453 1 . 1 1 94 94 VAL C C 85 177.948 177.948 177.293 0.655 18221 454 1 . 1 1 94 94 VAL CA C 85 65.389 65.389 65.308 0.081 18221 455 1 . 1 1 94 94 VAL CB C 85 31.846 31.846 31.742 0.104 18221 456 1 . 1 1 94 94 VAL H H 85 8.414 8.414 7.755 0.659 18221 457 1 . 1 1 95 95 ILE N N 86 118.769 118.769 117.388 1.381 18221 458 1 . 1 1 95 95 ILE C C 86 177.972 177.972 176.468 1.504 18221 459 1 . 1 1 95 95 ILE CA C 86 63.837 63.837 63.324 0.513 18221 460 1 . 1 1 95 95 ILE CB C 86 36.632 36.632 38.685 -2.053 18221 461 1 . 1 1 95 95 ILE H H 86 8.169 8.169 7.715 0.454 18221 462 1 . 1 1 96 96 GLY N N 87 107.955 107.955 105.153 2.802 18221 463 1 . 1 1 96 96 GLY C C 87 176.571 176.571 174.131 2.440 18221 464 1 . 1 1 96 96 GLY CA C 87 46.511 46.511 44.762 1.749 18221 465 1 . 1 1 96 96 GLY H H 87 8.182 8.182 8.276 -0.094 18221 466 1 . 1 1 97 97 GLY N N 88 109.117 109.117 110.030 -0.912 18221 467 1 . 1 1 97 97 GLY C C 88 175.524 175.524 174.295 1.229 18221 468 1 . 1 1 97 97 GLY CA C 88 45.832 45.832 45.824 0.008 18221 469 1 . 1 1 97 97 GLY H H 88 7.953 7.953 8.161 -0.208 18221 470 1 . 1 1 98 98 PHE N N 89 121.100 121.100 120.257 0.843 18221 471 1 . 1 1 98 98 PHE C C 89 176.367 176.367 174.614 1.752 18221 472 1 . 1 1 98 98 PHE CA C 89 56.900 56.900 58.037 -1.137 18221 473 1 . 1 1 98 98 PHE CB C 89 38.832 38.832 39.251 -0.419 18221 474 1 . 1 1 98 98 PHE H H 89 8.000 8.000 8.146 -0.146 18221 475 1 . 1 1 99 99 ALA N N 90 122.834 122.834 125.931 -3.097 18221 476 1 . 1 1 99 99 ALA C C 90 178.348 178.348 176.626 1.722 18221 477 1 . 1 1 99 99 ALA CA C 90 55.277 55.277 52.058 3.219 18221 478 1 . 1 1 99 99 ALA CB C 90 17.414 17.414 19.621 -2.207 18221 479 1 . 1 1 99 99 ALA H H 90 8.322 8.322 8.150 0.173 18221 480 1 . 1 1 100 100 GLY N N 91 106.688 106.688 109.575 -2.887 18221 481 1 . 1 1 100 100 GLY C C 91 175.878 175.878 174.428 1.450 18221 482 1 . 1 1 100 100 GLY CA C 91 45.626 45.626 45.592 0.034 18221 483 1 . 1 1 100 100 GLY H H 91 8.000 8.000 8.327 -0.327 18221 484 1 . 1 1 101 101 THR N N 92 115.689 115.689 116.341 -0.652 18221 485 1 . 1 1 101 101 THR C C 92 178.476 178.476 173.662 4.814 18221 486 1 . 1 1 101 101 THR CA C 92 63.364 63.364 62.646 0.718 18221 487 1 . 1 1 101 101 THR CB C 92 69.619 69.619 68.849 0.770 18221 488 1 . 1 1 101 101 THR H H 92 7.754 7.754 8.118 -0.364 18221 489 1 . 1 1 102 102 ALA N N 93 124.835 124.835 126.037 -1.202 18221 490 1 . 1 1 102 102 ALA CA C 93 54.311 54.311 52.005 2.306 18221 491 1 . 1 1 102 102 ALA CB C 93 17.679 17.679 19.674 -1.995 18221 492 1 . 1 1 102 102 ALA H H 93 7.919 7.919 8.047 -0.128 18221 493 1 . 1 1 103 103 LEU N N 94 117.445 117.445 120.480 -3.035 18221 494 1 . 1 1 103 103 LEU CA C 94 56.782 56.782 55.347 1.435 18221 495 1 . 1 1 103 103 LEU CB C 94 40.902 40.902 41.901 -0.999 18221 496 1 . 1 1 103 103 LEU H H 94 8.037 8.037 8.316 -0.279 18221 497 1 . 1 1 104 104 GLY N N 95 106.296 106.296 109.916 -3.620 18221 498 1 . 1 1 104 104 GLY C C 95 175.851 175.851 173.712 2.139 18221 499 1 . 1 1 104 104 GLY CA C 95 46.570 46.570 44.686 1.884 18221 500 1 . 1 1 104 104 GLY H H 95 7.900 7.900 8.124 -0.224 18221 501 1 . 1 1 105 105 ALA N N 96 123.872 123.872 123.496 0.376 18221 502 1 . 1 1 105 105 ALA CA C 96 54.126 54.126 52.044 2.082 18221 503 1 . 1 1 105 105 ALA CB C 96 17.587 17.587 18.802 -1.215 18221 504 1 . 1 1 105 105 ALA H H 96 7.804 7.804 8.156 -0.352 18221 505 1 . 1 1 106 106 TRP N N 97 120.348 120.348 121.287 -0.939 18221 506 1 . 1 1 106 106 TRP C C 97 176.857 176.857 175.382 1.475 18221 507 1 . 1 1 106 106 TRP CA C 97 56.900 56.900 56.848 0.053 18221 508 1 . 1 1 106 106 TRP H H 97 8.385 8.385 8.070 0.315 18221 509 1 . 1 1 107 107 LEU N N 98 117.756 117.756 123.836 -6.080 18221 510 1 . 1 1 107 107 LEU C C 98 177.659 177.659 176.274 1.385 18221 511 1 . 1 1 107 107 LEU CA C 98 55.103 55.103 55.325 -0.222 18221 512 1 . 1 1 107 107 LEU CB C 98 41.418 41.418 42.285 -0.867 18221 513 1 . 1 1 107 107 LEU H H 98 7.880 7.880 8.249 -0.369 18221 514 1 . 1 1 108 108 GLY N N 99 107.285 107.285 109.589 -2.304 18221 515 1 . 1 1 108 108 GLY C C 99 173.815 173.815 173.647 0.169 18221 516 1 . 1 1 108 108 GLY CA C 99 44.947 44.947 44.900 0.047 18221 517 1 . 1 1 108 108 GLY H H 99 7.694 7.694 8.163 -0.469 18221 518 1 . 1 1 109 109 SER N N 100 117.139 117.139 117.662 -0.522 18221 519 1 . 1 1 109 109 SER C C 100 172.179 172.179 172.911 -0.732 18221 520 1 . 1 1 109 109 SER CA C 100 56.015 56.015 57.060 -1.045 18221 521 1 . 1 1 109 109 SER CB C 100 62.771 62.771 63.765 -0.994 18221 522 1 . 1 1 109 109 SER H H 100 8.030 8.030 8.256 -0.226 18221 523 1 . 1 1 111 111 PRO C C 102 177.073 177.073 176.379 0.694 18221 524 1 . 1 1 111 111 PRO CA C 102 62.199 62.199 63.007 -0.808 18221 525 1 . 1 1 111 111 PRO CB C 102 31.211 31.211 31.386 -0.175 18221 526 1 . 1 1 112 112 SER N N 103 117.115 117.115 117.109 0.006 18221 527 1 . 1 1 112 112 SER C C 103 173.898 173.898 174.136 -0.238 18221 528 1 . 1 1 112 112 SER CA C 103 57.904 57.904 58.467 -0.563 18221 529 1 . 1 1 112 112 SER CB C 103 63.360 63.360 63.850 -0.490 18221 530 1 . 1 1 112 112 SER H H 103 8.345 8.345 8.373 -0.028 18221 stop_ save_