data_25510 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25510 _Entry.PDB_ID 2N00 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 25510 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 119.768 119.768 119.691 0.077 25510 2 1 1 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.068 -0.048 25510 3 1 1 . 1 1 2 2 GLU C C 2 178.535 178.535 178.314 0.221 25510 4 1 1 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.158 1.591 25510 5 1 1 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.354 -0.247 25510 6 1 1 . 1 1 2 2 GLU H H 2 8.426 8.426 8.857 -0.431 25510 7 1 1 . 1 1 3 3 SER N N 3 113.553 113.553 115.092 -1.539 25510 8 1 1 . 1 1 3 3 SER HA H 3 4.235 4.235 4.242 -0.007 25510 9 1 1 . 1 1 3 3 SER C C 3 176.578 176.578 176.505 0.073 25510 10 1 1 . 1 1 3 3 SER CA C 3 61.448 61.448 61.252 0.196 25510 11 1 1 . 1 1 3 3 SER CB C 3 62.746 62.746 62.579 0.167 25510 12 1 1 . 1 1 3 3 SER H H 3 8.151 8.151 8.471 -0.320 25510 13 1 1 . 1 1 4 4 GLU N N 4 122.599 122.599 120.196 2.403 25510 14 1 1 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.117 -0.040 25510 15 1 1 . 1 1 4 4 GLU CA C 4 59.416 59.416 59.105 0.311 25510 16 1 1 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.389 -1.128 25510 17 1 1 . 1 1 4 4 GLU H H 4 8.051 8.051 7.730 0.321 25510 18 1 1 . 1 1 5 5 TYR N N 5 119.991 119.991 120.593 -0.602 25510 19 1 1 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.231 0.241 25510 20 1 1 . 1 1 5 5 TYR CA C 5 60.913 60.913 60.910 0.003 25510 21 1 1 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.489 -0.536 25510 22 1 1 . 1 1 5 5 TYR H H 5 8.339 8.339 7.392 0.947 25510 23 1 1 . 1 1 6 6 ARG N N 6 120.010 120.010 118.278 1.732 25510 24 1 1 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.823 -0.064 25510 25 1 1 . 1 1 6 6 ARG C C 6 177.365 177.365 178.006 -0.641 25510 26 1 1 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.097 1.564 25510 27 1 1 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.652 0.686 25510 28 1 1 . 1 1 6 6 ARG H H 6 8.202 8.202 7.938 0.264 25510 29 1 1 . 1 1 7 7 GLU N N 7 116.287 116.287 120.713 -4.426 25510 30 1 1 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.979 0.071 25510 31 1 1 . 1 1 7 7 GLU C C 7 178.544 178.544 178.467 0.077 25510 32 1 1 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.181 0.233 25510 33 1 1 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.644 -0.621 25510 34 1 1 . 1 1 7 7 GLU H H 7 8.165 8.165 8.016 0.149 25510 35 1 1 . 1 1 8 8 MET N N 8 116.181 116.181 119.279 -3.098 25510 36 1 1 . 1 1 8 8 MET HA H 8 4.411 4.411 4.129 0.282 25510 37 1 1 . 1 1 8 8 MET C C 8 177.616 177.616 177.632 -0.016 25510 38 1 1 . 1 1 8 8 MET CA C 8 59.067 59.067 57.464 1.603 25510 39 1 1 . 1 1 8 8 MET CB C 8 32.089 32.089 32.290 -0.201 25510 40 1 1 . 1 1 8 8 MET H H 8 8.168 8.168 7.594 0.574 25510 41 1 1 . 1 1 9 9 LEU N N 9 122.056 122.056 118.950 3.106 25510 42 1 1 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.862 0.119 25510 43 1 1 . 1 1 9 9 LEU C C 9 177.211 177.211 178.269 -1.058 25510 44 1 1 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.255 1.246 25510 45 1 1 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.484 0.814 25510 46 1 1 . 1 1 9 9 LEU H H 9 7.883 7.883 7.261 0.622 25510 47 1 1 . 1 1 10 10 LEU N N 10 117.952 117.952 117.777 0.175 25510 48 1 1 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.832 0.122 25510 49 1 1 . 1 1 10 10 LEU C C 10 176.132 176.132 179.002 -2.870 25510 50 1 1 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.398 0.994 25510 51 1 1 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.088 1.644 25510 52 1 1 . 1 1 10 10 LEU H H 10 8.011 8.011 7.341 0.670 25510 53 1 1 . 1 1 11 11 LEU N N 11 116.301 116.301 117.827 -1.526 25510 54 1 1 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.897 0.253 25510 55 1 1 . 1 1 11 11 LEU C C 11 179.384 179.384 178.515 0.869 25510 56 1 1 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.025 -0.085 25510 57 1 1 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.524 1.143 25510 58 1 1 . 1 1 11 11 LEU H H 11 8.916 8.916 7.875 1.041 25510 59 1 1 . 1 1 12 12 THR N N 12 112.429 112.429 116.365 -3.936 25510 60 1 1 . 1 1 12 12 THR HA H 12 4.148 4.148 3.707 0.441 25510 61 1 1 . 1 1 12 12 THR C C 12 174.055 174.055 175.728 -1.673 25510 62 1 1 . 1 1 12 12 THR CA C 12 65.127 65.127 66.616 -1.489 25510 63 1 1 . 1 1 12 12 THR CB C 12 68.421 68.421 68.258 0.163 25510 64 1 1 . 1 1 12 12 THR H H 12 7.753 7.753 7.721 0.032 25510 65 1 1 . 1 1 13 13 GLY N N 13 124.320 124.320 108.232 16.088 25510 66 1 1 . 1 1 13 13 GLY C C 13 173.259 173.259 176.065 -2.806 25510 67 1 1 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.544 0.890 25510 68 1 1 . 1 1 13 13 GLY H H 13 7.019 7.019 7.675 -0.656 25510 69 1 1 . 1 1 14 14 LEU N N 14 121.922 121.922 121.834 0.088 25510 70 1 1 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.090 -0.174 25510 71 1 1 . 1 1 14 14 LEU C C 14 178.842 178.842 178.576 0.266 25510 72 1 1 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.311 0.739 25510 73 1 1 . 1 1 14 14 LEU CB C 14 41.826 41.826 40.819 1.007 25510 74 1 1 . 1 1 14 14 LEU H H 14 8.941 8.941 7.586 1.355 25510 75 1 1 . 1 1 15 15 ASP N N 15 115.417 115.417 116.437 -1.020 25510 76 1 1 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.600 -0.101 25510 77 1 1 . 1 1 15 15 ASP C C 15 175.905 175.905 176.937 -1.032 25510 78 1 1 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.391 -0.586 25510 79 1 1 . 1 1 15 15 ASP CB C 15 37.826 37.826 41.164 -3.338 25510 80 1 1 . 1 1 15 15 ASP H H 15 9.012 9.012 7.898 1.114 25510 81 1 1 . 1 1 16 16 HIS N N 16 114.840 114.840 115.850 -1.010 25510 82 1 1 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.580 0.154 25510 83 1 1 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.544 0.028 25510 84 1 1 . 1 1 16 16 HIS CB C 16 29.222 29.222 31.787 -2.565 25510 85 1 1 . 1 1 16 16 HIS H H 16 7.807 7.807 7.765 0.042 25510 86 1 1 . 1 1 17 17 ILE N N 17 111.347 111.347 116.905 -5.558 25510 87 1 1 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.717 0.244 25510 88 1 1 . 1 1 17 17 ILE C C 17 176.154 176.154 175.329 0.825 25510 89 1 1 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.697 -0.185 25510 90 1 1 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.095 -0.421 25510 91 1 1 . 1 1 17 17 ILE H H 17 7.041 7.041 7.629 -0.588 25510 92 1 1 . 1 1 18 18 THR N N 18 114.804 114.804 112.569 2.235 25510 93 1 1 . 1 1 18 18 THR HA H 18 4.384 4.384 4.643 -0.259 25510 94 1 1 . 1 1 18 18 THR C C 18 174.991 174.991 175.632 -0.641 25510 95 1 1 . 1 1 18 18 THR CA C 18 61.063 61.063 60.356 0.707 25510 96 1 1 . 1 1 18 18 THR CB C 18 71.227 71.227 70.717 0.510 25510 97 1 1 . 1 1 18 18 THR H H 18 8.672 8.672 8.110 0.562 25510 98 1 1 . 1 1 19 19 GLU N N 19 119.385 119.385 121.035 -1.650 25510 99 1 1 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.987 0.045 25510 100 1 1 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.484 0.388 25510 101 1 1 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.932 0.019 25510 102 1 1 . 1 1 19 19 GLU H H 19 8.886 8.886 8.900 -0.014 25510 103 1 1 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.126 -0.036 25510 104 1 1 . 1 1 20 20 GLU C C 20 179.664 179.664 179.252 0.412 25510 105 1 1 . 1 1 20 20 GLU CA C 20 59.595 59.595 58.785 0.810 25510 106 1 1 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.124 -0.081 25510 107 1 1 . 1 1 21 21 GLU N N 21 120.346 120.346 119.879 0.467 25510 108 1 1 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.168 0.102 25510 109 1 1 . 1 1 21 21 GLU C C 21 179.079 179.079 178.694 0.385 25510 110 1 1 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.806 0.712 25510 111 1 1 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.187 0.698 25510 112 1 1 . 1 1 21 21 GLU H H 21 7.611 7.611 7.681 -0.070 25510 113 1 1 . 1 1 22 22 LEU N N 22 122.508 122.508 122.322 0.186 25510 114 1 1 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.114 0.018 25510 115 1 1 . 1 1 22 22 LEU C C 22 178.698 178.698 178.254 0.444 25510 116 1 1 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.346 -0.485 25510 117 1 1 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.977 -0.257 25510 118 1 1 . 1 1 22 22 LEU H H 22 9.016 9.016 8.107 0.909 25510 119 1 1 . 1 1 23 23 LYS N N 23 119.162 119.162 117.556 1.606 25510 120 1 1 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.008 -0.022 25510 121 1 1 . 1 1 23 23 LYS C C 23 179.624 179.624 179.292 0.332 25510 122 1 1 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.770 0.921 25510 123 1 1 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.026 0.368 25510 124 1 1 . 1 1 23 23 LYS H H 23 7.777 7.777 7.696 0.081 25510 125 1 1 . 1 1 24 24 ARG N N 24 119.502 119.502 119.578 -0.076 25510 126 1 1 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.264 -0.063 25510 127 1 1 . 1 1 24 24 ARG C C 24 178.260 178.260 178.708 -0.448 25510 128 1 1 . 1 1 24 24 ARG CA C 24 59.232 59.232 58.807 0.425 25510 129 1 1 . 1 1 24 24 ARG CB C 24 29.794 29.794 29.882 -0.088 25510 130 1 1 . 1 1 24 24 ARG H H 24 7.397 7.397 7.731 -0.334 25510 131 1 1 . 1 1 25 25 PHE N N 25 120.567 120.567 121.280 -0.713 25510 132 1 1 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.289 -0.421 25510 133 1 1 . 1 1 25 25 PHE C C 25 177.302 177.302 177.211 0.091 25510 134 1 1 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.637 0.544 25510 135 1 1 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.163 0.380 25510 136 1 1 . 1 1 25 25 PHE H H 25 8.798 8.798 7.921 0.877 25510 137 1 1 . 1 1 26 26 LYS N N 26 117.901 117.901 118.758 -0.857 25510 138 1 1 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.860 -0.186 25510 139 1 1 . 1 1 26 26 LYS C C 26 177.118 177.118 179.045 -1.927 25510 140 1 1 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.183 1.779 25510 141 1 1 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.922 1.117 25510 142 1 1 . 1 1 26 26 LYS H H 26 8.841 8.841 8.046 0.795 25510 143 1 1 . 1 1 27 27 TYR N N 27 118.480 118.480 120.747 -2.267 25510 144 1 1 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.266 -0.110 25510 145 1 1 . 1 1 27 27 TYR C C 27 178.460 178.460 177.545 0.915 25510 146 1 1 . 1 1 27 27 TYR CA C 27 61.457 61.457 60.960 0.497 25510 147 1 1 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.696 -0.949 25510 148 1 1 . 1 1 27 27 TYR H H 27 7.645 7.645 7.753 -0.108 25510 149 1 1 . 1 1 28 28 PHE N N 28 117.525 117.525 119.174 -1.649 25510 150 1 1 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.121 0.125 25510 151 1 1 . 1 1 28 28 PHE C C 28 178.827 178.827 176.315 2.512 25510 152 1 1 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.593 0.209 25510 153 1 1 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.711 0.366 25510 154 1 1 . 1 1 28 28 PHE H H 28 7.741 7.741 7.876 -0.135 25510 155 1 1 . 1 1 29 29 ALA N N 29 123.372 123.372 120.301 3.071 25510 156 1 1 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.267 -0.294 25510 157 1 1 . 1 1 29 29 ALA C C 29 178.340 178.340 178.007 0.333 25510 158 1 1 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.699 1.623 25510 159 1 1 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.312 -2.108 25510 160 1 1 . 1 1 29 29 ALA H H 29 8.840 8.840 7.964 0.876 25510 161 1 1 . 1 1 30 30 LEU N N 30 117.039 117.039 120.015 -2.976 25510 162 1 1 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.911 -0.872 25510 163 1 1 . 1 1 30 30 LEU C C 30 178.373 178.373 176.761 1.612 25510 164 1 1 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.679 4.665 25510 165 1 1 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.263 2.664 25510 166 1 1 . 1 1 30 30 LEU H H 30 7.443 7.443 7.690 -0.247 25510 167 1 1 . 1 1 31 31 THR N N 31 125.874 125.874 113.634 12.240 25510 168 1 1 . 1 1 31 31 THR HA H 31 4.228 4.228 4.035 0.193 25510 169 1 1 . 1 1 31 31 THR C C 31 176.282 176.282 175.114 1.168 25510 170 1 1 . 1 1 31 31 THR CA C 31 63.328 63.328 63.536 -0.208 25510 171 1 1 . 1 1 31 31 THR CB C 31 69.170 69.170 69.498 -0.328 25510 172 1 1 . 1 1 31 31 THR H H 31 7.014 7.014 7.833 -0.819 25510 173 1 1 . 1 1 32 32 GLU N N 32 120.558 120.558 119.076 1.482 25510 174 1 1 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.107 0.045 25510 175 1 1 . 1 1 32 32 GLU C C 32 175.968 175.968 176.291 -0.323 25510 176 1 1 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.294 0.487 25510 177 1 1 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.965 2.096 25510 178 1 1 . 1 1 32 32 GLU H H 32 7.808 7.808 8.493 -0.685 25510 179 1 1 . 1 1 33 33 PHE N N 33 114.045 114.045 118.578 -4.533 25510 180 1 1 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.588 -0.118 25510 181 1 1 . 1 1 33 33 PHE CA C 33 57.498 57.498 57.592 -0.094 25510 182 1 1 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.208 1.335 25510 183 1 1 . 1 1 33 33 PHE H H 33 8.390 8.390 7.438 0.952 25510 184 1 1 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.956 0.314 25510 185 1 1 . 1 1 34 34 GLN C C 34 174.516 174.516 175.190 -0.674 25510 186 1 1 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.946 0.208 25510 187 1 1 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.227 0.094 25510 188 1 1 . 1 1 34 34 GLN H H 34 7.968 7.968 8.248 -0.280 25510 189 1 1 . 1 1 35 35 ILE N N 35 119.653 119.653 119.748 -0.095 25510 190 1 1 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.831 0.540 25510 191 1 1 . 1 1 35 35 ILE C C 35 173.592 173.592 176.511 -2.919 25510 192 1 1 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.908 -2.498 25510 193 1 1 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.219 3.538 25510 194 1 1 . 1 1 35 35 ILE H H 35 7.455 7.455 8.185 -0.730 25510 195 1 1 . 1 1 36 36 ALA N N 36 126.668 126.668 129.838 -3.170 25510 196 1 1 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.290 -0.022 25510 197 1 1 . 1 1 36 36 ALA C C 36 178.784 178.784 178.233 0.551 25510 198 1 1 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.592 -0.410 25510 199 1 1 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.773 -0.508 25510 200 1 1 . 1 1 36 36 ALA H H 36 8.238 8.238 8.571 -0.333 25510 201 1 1 . 1 1 37 37 ARG N N 37 123.068 123.068 122.519 0.549 25510 202 1 1 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.057 -0.241 25510 203 1 1 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.577 1.261 25510 204 1 1 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.911 0.021 25510 205 1 1 . 1 1 37 37 ARG H H 37 8.820 8.820 8.709 0.111 25510 206 1 1 . 1 1 38 38 SER N N 38 112.348 112.348 115.791 -3.443 25510 207 1 1 . 1 1 38 38 SER HA H 38 4.178 4.178 4.368 -0.190 25510 208 1 1 . 1 1 38 38 SER C C 38 178.315 178.315 175.922 2.393 25510 209 1 1 . 1 1 38 38 SER CA C 38 60.772 60.772 60.727 0.045 25510 210 1 1 . 1 1 38 38 SER CB C 38 62.061 62.061 62.224 -0.163 25510 211 1 1 . 1 1 38 38 SER H H 38 8.517 8.517 8.376 0.141 25510 212 1 1 . 1 1 39 39 THR N N 39 117.311 117.311 113.113 4.198 25510 213 1 1 . 1 1 39 39 THR HA H 39 4.025 4.025 4.174 -0.149 25510 214 1 1 . 1 1 39 39 THR C C 39 175.203 175.203 176.152 -0.949 25510 215 1 1 . 1 1 39 39 THR CA C 39 64.904 64.904 63.850 1.054 25510 216 1 1 . 1 1 39 39 THR CB C 39 68.726 68.726 68.448 0.278 25510 217 1 1 . 1 1 39 39 THR H H 39 7.231 7.231 8.140 -0.909 25510 218 1 1 . 1 1 40 40 LEU N N 40 118.713 118.713 120.816 -2.103 25510 219 1 1 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.923 0.108 25510 220 1 1 . 1 1 40 40 LEU C C 40 177.743 177.743 178.324 -0.581 25510 221 1 1 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.946 -0.882 25510 222 1 1 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.378 0.916 25510 223 1 1 . 1 1 40 40 LEU H H 40 7.552 7.552 7.314 0.238 25510 224 1 1 . 1 1 41 41 ASP N N 41 119.468 119.468 119.160 0.308 25510 225 1 1 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.433 0.064 25510 226 1 1 . 1 1 41 41 ASP C C 41 177.111 177.111 177.812 -0.701 25510 227 1 1 . 1 1 41 41 ASP CA C 41 56.594 56.594 57.151 -0.557 25510 228 1 1 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.296 -1.342 25510 229 1 1 . 1 1 41 41 ASP H H 41 8.153 8.153 7.689 0.464 25510 230 1 1 . 1 1 42 42 VAL N N 42 111.960 111.960 113.358 -1.398 25510 231 1 1 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.523 -0.195 25510 232 1 1 . 1 1 42 42 VAL C C 42 175.994 175.994 175.972 0.022 25510 233 1 1 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.865 -0.123 25510 234 1 1 . 1 1 42 42 VAL CB C 42 32.741 32.741 30.936 1.805 25510 235 1 1 . 1 1 42 42 VAL H H 42 7.293 7.293 7.682 -0.389 25510 236 1 1 . 1 1 43 43 ALA N N 43 124.575 124.575 124.889 -0.314 25510 237 1 1 . 1 1 43 43 ALA HA H 43 4.326 4.326 4.060 0.266 25510 238 1 1 . 1 1 43 43 ALA C C 43 177.972 177.972 179.015 -1.043 25510 239 1 1 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.500 -2.422 25510 240 1 1 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.500 0.951 25510 241 1 1 . 1 1 43 43 ALA H H 43 7.626 7.626 7.688 -0.062 25510 242 1 1 . 1 1 44 44 ASP N N 44 119.810 119.810 117.314 2.496 25510 243 1 1 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.241 -0.181 25510 244 1 1 . 1 1 44 44 ASP C C 44 179.346 179.346 177.666 1.680 25510 245 1 1 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.898 1.426 25510 246 1 1 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.081 -8.149 25510 247 1 1 . 1 1 44 44 ASP H H 44 8.002 8.002 8.748 -0.746 25510 248 1 1 . 1 1 45 45 ARG N N 45 123.564 123.564 118.042 5.522 25510 249 1 1 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.232 -0.463 25510 250 1 1 . 1 1 45 45 ARG C C 45 177.492 177.492 177.857 -0.365 25510 251 1 1 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.047 2.763 25510 252 1 1 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.299 2.715 25510 253 1 1 . 1 1 45 45 ARG H H 45 8.611 8.611 7.544 1.067 25510 254 1 1 . 1 1 46 46 THR N N 46 118.315 118.315 110.533 7.782 25510 255 1 1 . 1 1 46 46 THR HA H 46 4.051 4.051 4.296 -0.245 25510 256 1 1 . 1 1 46 46 THR C C 46 179.947 179.947 176.187 3.760 25510 257 1 1 . 1 1 46 46 THR CA C 46 59.605 59.605 64.230 -4.625 25510 258 1 1 . 1 1 46 46 THR CB C 46 32.375 32.375 69.872 -37.497 25510 259 1 1 . 1 1 46 46 THR H H 46 8.182 8.182 7.761 0.421 25510 260 1 1 . 1 1 47 47 GLU N N 47 118.691 118.691 122.047 -3.356 25510 261 1 1 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.159 -0.137 25510 262 1 1 . 1 1 47 47 GLU C C 47 179.758 179.758 178.921 0.837 25510 263 1 1 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.617 -0.418 25510 264 1 1 . 1 1 47 47 GLU H H 47 8.117 8.117 7.531 0.586 25510 265 1 1 . 1 1 48 48 LEU N N 48 120.020 120.020 119.887 0.133 25510 266 1 1 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.949 -0.190 25510 267 1 1 . 1 1 48 48 LEU C C 48 177.474 177.474 179.131 -1.657 25510 268 1 1 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.980 0.594 25510 269 1 1 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.572 0.030 25510 270 1 1 . 1 1 48 48 LEU H H 48 8.355 8.355 8.535 -0.180 25510 271 1 1 . 1 1 49 49 ALA N N 49 120.164 120.164 121.814 -1.650 25510 272 1 1 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.911 -0.222 25510 273 1 1 . 1 1 49 49 ALA C C 49 178.552 178.552 179.425 -0.873 25510 274 1 1 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.105 1.024 25510 275 1 1 . 1 1 49 49 ALA CB C 49 17.636 17.636 18.102 -0.466 25510 276 1 1 . 1 1 49 49 ALA H H 49 8.224 8.224 8.113 0.111 25510 277 1 1 . 1 1 50 50 ASP N N 50 115.824 115.824 118.001 -2.177 25510 278 1 1 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.354 0.064 25510 279 1 1 . 1 1 50 50 ASP C C 50 179.108 179.108 178.460 0.648 25510 280 1 1 . 1 1 50 50 ASP CA C 50 57.921 57.921 58.076 -0.155 25510 281 1 1 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.928 -1.165 25510 282 1 1 . 1 1 50 50 ASP H H 50 8.041 8.041 7.839 0.202 25510 283 1 1 . 1 1 51 51 HIS N N 51 117.866 117.866 120.252 -2.386 25510 284 1 1 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.129 0.336 25510 285 1 1 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.778 -1.288 25510 286 1 1 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.051 -1.986 25510 287 1 1 . 1 1 51 51 HIS H H 51 8.541 8.541 8.253 0.288 25510 288 1 1 . 1 1 52 52 LEU N N 52 120.279 120.279 118.220 2.059 25510 289 1 1 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.920 -0.294 25510 290 1 1 . 1 1 52 52 LEU C C 52 178.488 178.488 178.284 0.204 25510 291 1 1 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.079 0.301 25510 292 1 1 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.838 -1.407 25510 293 1 1 . 1 1 52 52 LEU H H 52 8.529 8.529 7.776 0.753 25510 294 1 1 . 1 1 53 53 ILE N N 53 119.478 119.478 118.616 0.862 25510 295 1 1 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.799 -0.360 25510 296 1 1 . 1 1 53 53 ILE C C 53 178.798 178.798 178.500 0.298 25510 297 1 1 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.376 0.609 25510 298 1 1 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.322 0.331 25510 299 1 1 . 1 1 53 53 ILE H H 53 8.069 8.069 7.510 0.559 25510 300 1 1 . 1 1 54 54 GLN N N 54 119.904 119.904 118.399 1.505 25510 301 1 1 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.065 -0.045 25510 302 1 1 . 1 1 54 54 GLN C C 54 177.668 177.668 177.385 0.283 25510 303 1 1 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.102 0.558 25510 304 1 1 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.208 0.281 25510 305 1 1 . 1 1 54 54 GLN H H 54 8.382 8.382 7.693 0.689 25510 306 1 1 . 1 1 55 55 SER N N 55 110.647 110.647 114.382 -3.735 25510 307 1 1 . 1 1 55 55 SER HA H 55 4.353 4.353 4.264 0.089 25510 308 1 1 . 1 1 55 55 SER C C 55 175.910 175.910 175.380 0.530 25510 309 1 1 . 1 1 55 55 SER CA C 55 61.019 61.019 59.951 1.068 25510 310 1 1 . 1 1 55 55 SER CB C 55 63.997 63.997 63.561 0.436 25510 311 1 1 . 1 1 55 55 SER H H 55 7.623 7.623 7.477 0.146 25510 312 1 1 . 1 1 56 56 ALA N N 56 118.590 118.590 119.822 -1.232 25510 313 1 1 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.734 -0.009 25510 314 1 1 . 1 1 56 56 ALA C C 56 178.537 178.537 177.061 1.476 25510 315 1 1 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.134 0.578 25510 316 1 1 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.278 0.484 25510 317 1 1 . 1 1 56 56 ALA H H 56 7.908 7.908 7.654 0.254 25510 318 1 1 . 1 1 57 57 GLY N N 57 109.060 109.060 107.334 1.726 25510 319 1 1 . 1 1 57 57 GLY C C 57 174.410 174.410 173.844 0.566 25510 320 1 1 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.678 -0.447 25510 321 1 1 . 1 1 57 57 GLY H H 57 7.996 7.996 7.490 0.506 25510 322 1 1 . 1 1 58 58 ALA N N 58 123.460 123.460 123.485 -0.025 25510 323 1 1 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.112 -0.106 25510 324 1 1 . 1 1 58 58 ALA C C 58 177.285 177.285 178.973 -1.688 25510 325 1 1 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.447 2.634 25510 326 1 1 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.005 0.201 25510 327 1 1 . 1 1 58 58 ALA H H 58 8.710 8.710 8.583 0.127 25510 328 1 1 . 1 1 59 59 ALA N N 59 118.918 118.918 120.257 -1.339 25510 329 1 1 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.121 -1.174 25510 330 1 1 . 1 1 59 59 ALA C C 59 181.017 181.017 179.507 1.510 25510 331 1 1 . 1 1 59 59 ALA CA C 59 55.393 55.393 55.086 0.307 25510 332 1 1 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.128 -0.098 25510 333 1 1 . 1 1 59 59 ALA H H 59 8.272 8.272 8.792 -0.520 25510 334 1 1 . 1 1 60 60 SER N N 60 112.905 112.905 115.334 -2.429 25510 335 1 1 . 1 1 60 60 SER HA H 60 4.130 4.130 4.101 0.029 25510 336 1 1 . 1 1 60 60 SER C C 60 176.246 176.246 176.288 -0.042 25510 337 1 1 . 1 1 60 60 SER CA C 60 60.601 60.601 62.341 -1.740 25510 338 1 1 . 1 1 60 60 SER CB C 60 62.796 62.796 62.565 0.231 25510 339 1 1 . 1 1 60 60 SER H H 60 8.218 8.218 8.430 -0.212 25510 340 1 1 . 1 1 61 61 ALA N N 61 121.207 121.207 123.495 -2.288 25510 341 1 1 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.076 0.080 25510 342 1 1 . 1 1 61 61 ALA C C 61 179.639 179.639 179.193 0.446 25510 343 1 1 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.778 0.877 25510 344 1 1 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.344 0.206 25510 345 1 1 . 1 1 61 61 ALA H H 61 8.583 8.583 7.403 1.180 25510 346 1 1 . 1 1 62 62 VAL N N 62 116.024 116.024 117.643 -1.619 25510 347 1 1 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.589 0.084 25510 348 1 1 . 1 1 62 62 VAL C C 62 177.567 177.567 178.278 -0.711 25510 349 1 1 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.746 1.157 25510 350 1 1 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.169 0.384 25510 351 1 1 . 1 1 62 62 VAL H H 62 7.517 7.517 7.721 -0.204 25510 352 1 1 . 1 1 63 63 THR N N 63 117.797 117.797 115.907 1.890 25510 353 1 1 . 1 1 63 63 THR HA H 63 4.318 4.318 4.163 0.155 25510 354 1 1 . 1 1 63 63 THR C C 63 176.800 176.800 176.912 -0.112 25510 355 1 1 . 1 1 63 63 THR CA C 63 68.590 68.590 66.410 2.180 25510 356 1 1 . 1 1 63 63 THR CB C 63 67.818 67.818 68.815 -0.997 25510 357 1 1 . 1 1 63 63 THR H H 63 8.007 8.007 8.034 -0.027 25510 358 1 1 . 1 1 64 64 LYS N N 64 121.300 121.300 121.458 -0.158 25510 359 1 1 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.540 -0.643 25510 360 1 1 . 1 1 64 64 LYS C C 64 178.721 178.721 178.537 0.184 25510 361 1 1 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.895 1.047 25510 362 1 1 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.857 2.381 25510 363 1 1 . 1 1 64 64 LYS H H 64 8.771 8.771 7.585 1.186 25510 364 1 1 . 1 1 65 65 ALA N N 65 121.115 121.115 122.639 -1.524 25510 365 1 1 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.221 -0.169 25510 366 1 1 . 1 1 65 65 ALA C C 65 178.759 178.759 179.589 -0.830 25510 367 1 1 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.077 0.973 25510 368 1 1 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.255 -0.011 25510 369 1 1 . 1 1 65 65 ALA H H 65 8.598 8.598 8.370 0.228 25510 370 1 1 . 1 1 66 66 ILE N N 66 118.735 118.735 118.209 0.526 25510 371 1 1 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.855 -0.206 25510 372 1 1 . 1 1 66 66 ILE C C 66 177.252 177.252 177.867 -0.615 25510 373 1 1 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.748 4.212 25510 374 1 1 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.159 0.890 25510 375 1 1 . 1 1 66 66 ILE H H 66 8.657 8.657 7.674 0.983 25510 376 1 1 . 1 1 67 67 ASN N N 67 117.463 117.463 118.866 -1.403 25510 377 1 1 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.751 -0.344 25510 378 1 1 . 1 1 67 67 ASN C C 67 178.095 178.095 178.293 -0.198 25510 379 1 1 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.827 -0.258 25510 380 1 1 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.286 0.095 25510 381 1 1 . 1 1 67 67 ASN H H 67 7.525 7.525 7.747 -0.222 25510 382 1 1 . 1 1 68 68 ILE N N 68 120.886 120.886 120.641 0.245 25510 383 1 1 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.683 -0.437 25510 384 1 1 . 1 1 68 68 ILE C C 68 177.540 177.540 177.506 0.034 25510 385 1 1 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.071 1.145 25510 386 1 1 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.209 -0.793 25510 387 1 1 . 1 1 68 68 ILE H H 68 8.170 8.170 7.735 0.435 25510 388 1 1 . 1 1 69 69 PHE N N 69 117.836 117.836 120.074 -2.238 25510 389 1 1 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.241 0.157 25510 390 1 1 . 1 1 69 69 PHE C C 69 178.279 178.279 177.037 1.242 25510 391 1 1 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.738 1.099 25510 392 1 1 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.403 -1.409 25510 393 1 1 . 1 1 69 69 PHE H H 69 8.963 8.963 8.335 0.628 25510 394 1 1 . 1 1 70 70 GLN N N 70 118.145 118.145 118.765 -0.620 25510 395 1 1 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.818 0.324 25510 396 1 1 . 1 1 70 70 GLN C C 70 180.057 180.057 178.042 2.015 25510 397 1 1 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.825 0.961 25510 398 1 1 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.383 -0.710 25510 399 1 1 . 1 1 70 70 GLN H H 70 8.480 8.480 8.666 -0.186 25510 400 1 1 . 1 1 71 71 LYS N N 71 123.368 123.368 117.756 5.612 25510 401 1 1 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.077 -0.152 25510 402 1 1 . 1 1 71 71 LYS C C 71 178.755 178.755 177.354 1.401 25510 403 1 1 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.171 1.331 25510 404 1 1 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.266 -0.238 25510 405 1 1 . 1 1 71 71 LYS H H 71 8.099 8.099 7.501 0.598 25510 406 1 1 . 1 1 72 72 LEU N N 72 117.830 117.830 118.074 -0.244 25510 407 1 1 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.154 -0.162 25510 408 1 1 . 1 1 72 72 LEU C C 72 175.462 175.462 177.627 -2.165 25510 409 1 1 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.511 -1.442 25510 410 1 1 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.894 -0.739 25510 411 1 1 . 1 1 72 72 LEU H H 72 7.866 7.866 7.228 0.638 25510 412 1 1 . 1 1 73 73 ASN N N 73 113.996 113.996 114.691 -0.695 25510 413 1 1 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.386 -0.047 25510 414 1 1 . 1 1 73 73 ASN C C 73 175.753 175.753 174.692 1.061 25510 415 1 1 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.648 0.826 25510 416 1 1 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.170 -3.691 25510 417 1 1 . 1 1 73 73 ASN H H 73 8.026 8.026 7.762 0.264 25510 418 1 1 . 1 1 74 74 TYR N N 74 122.244 122.244 119.130 3.114 25510 419 1 1 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.895 0.382 25510 420 1 1 . 1 1 74 74 TYR C C 74 177.548 177.548 175.184 2.364 25510 421 1 1 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.555 -2.496 25510 422 1 1 . 1 1 74 74 TYR CB C 74 35.376 35.376 37.917 -2.541 25510 423 1 1 . 1 1 74 74 TYR H H 74 8.613 8.613 7.189 1.424 25510 424 1 1 . 1 1 75 75 MET N N 75 117.619 117.619 120.881 -3.262 25510 425 1 1 . 1 1 75 75 MET HA H 75 4.275 4.275 4.050 0.225 25510 426 1 1 . 1 1 75 75 MET C C 75 178.716 178.716 176.188 2.528 25510 427 1 1 . 1 1 75 75 MET CA C 75 57.231 57.231 59.487 -2.256 25510 428 1 1 . 1 1 75 75 MET CB C 75 30.304 30.304 32.228 -1.924 25510 429 1 1 . 1 1 75 75 MET H H 75 7.722 7.722 7.950 -0.228 25510 430 1 1 . 1 1 76 76 HIS N N 76 117.559 117.559 119.132 -1.573 25510 431 1 1 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.496 -0.029 25510 432 1 1 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.001 -0.004 25510 433 1 1 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.922 -2.485 25510 434 1 1 . 1 1 76 76 HIS H H 76 8.865 8.865 8.225 0.640 25510 435 1 1 . 1 1 77 77 ILE N N 77 119.750 119.750 119.523 0.227 25510 436 1 1 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.806 -0.222 25510 437 1 1 . 1 1 77 77 ILE C C 77 177.168 177.168 178.018 -0.850 25510 438 1 1 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.058 0.146 25510 439 1 1 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.995 -0.195 25510 440 1 1 . 1 1 77 77 ILE H H 77 7.356 7.356 7.509 -0.153 25510 441 1 1 . 1 1 78 78 ALA N N 78 120.662 120.662 122.253 -1.591 25510 442 1 1 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.987 -0.057 25510 443 1 1 . 1 1 78 78 ALA C C 78 178.936 178.936 178.576 0.360 25510 444 1 1 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.618 0.803 25510 445 1 1 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.206 0.781 25510 446 1 1 . 1 1 78 78 ALA H H 78 8.054 8.054 8.605 -0.551 25510 447 1 1 . 1 1 79 79 ASN N N 79 114.176 114.176 117.148 -2.972 25510 448 1 1 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.687 -0.243 25510 449 1 1 . 1 1 79 79 ASN C C 79 177.625 177.625 177.368 0.257 25510 450 1 1 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.695 0.356 25510 451 1 1 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.089 0.135 25510 452 1 1 . 1 1 79 79 ASN H H 79 8.531 8.531 7.916 0.615 25510 453 1 1 . 1 1 80 80 ALA N N 80 123.670 123.670 121.509 2.161 25510 454 1 1 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.214 -0.086 25510 455 1 1 . 1 1 80 80 ALA C C 80 180.727 180.727 179.645 1.082 25510 456 1 1 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.580 0.582 25510 457 1 1 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.580 -0.318 25510 458 1 1 . 1 1 80 80 ALA H H 80 7.822 7.822 7.821 0.001 25510 459 1 1 . 1 1 81 81 LEU N N 81 120.065 120.065 119.342 0.723 25510 460 1 1 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.092 -0.100 25510 461 1 1 . 1 1 81 81 LEU C C 81 177.550 177.550 179.407 -1.857 25510 462 1 1 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.147 0.726 25510 463 1 1 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.123 1.216 25510 464 1 1 . 1 1 81 81 LEU H H 81 8.526 8.526 7.710 0.816 25510 465 1 1 . 1 1 82 82 GLU N N 82 119.844 119.844 118.527 1.317 25510 466 1 1 . 1 1 82 82 GLU HA H 82 3.995 3.995 4.020 -0.025 25510 467 1 1 . 1 1 82 82 GLU C C 82 178.510 178.510 178.680 -0.170 25510 468 1 1 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.073 0.598 25510 469 1 1 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.652 0.152 25510 470 1 1 . 1 1 82 82 GLU H H 82 8.429 8.429 8.336 0.092 25510 471 1 1 . 1 1 83 83 GLU N N 83 118.585 118.585 120.015 -1.430 25510 472 1 1 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.128 -0.074 25510 473 1 1 . 1 1 83 83 GLU C C 83 179.516 179.516 178.767 0.749 25510 474 1 1 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.494 1.410 25510 475 1 1 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.710 -0.751 25510 476 1 1 . 1 1 83 83 GLU H H 83 8.138 8.138 7.918 0.220 25510 477 1 1 . 1 1 84 84 LYS N N 84 119.135 119.135 120.127 -0.992 25510 478 1 1 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.112 0.008 25510 479 1 1 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.566 1.141 25510 480 1 1 . 1 1 84 84 LYS H H 84 8.690 8.690 7.870 0.820 25510 481 1 1 . 1 1 85 85 LYS N N 85 118.012 118.012 118.246 -0.234 25510 482 1 1 . 1 1 85 85 LYS HA H 85 4.457 4.457 3.927 0.530 25510 483 1 1 . 1 1 85 85 LYS H H 85 8.109 8.109 7.648 0.461 25510 484 1 1 . 1 1 86 86 LYS N N 86 119.839 119.839 117.631 2.208 25510 485 1 1 . 1 1 86 86 LYS HA H 86 3.918 3.918 3.956 -0.038 25510 486 1 1 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.470 3.828 25510 487 1 1 . 1 1 86 86 LYS H H 86 8.577 8.577 7.669 0.908 25510 488 1 1 . 1 1 87 87 GLU N N 87 119.674 119.674 119.737 -0.063 25510 489 1 1 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.087 -0.096 25510 490 1 1 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.622 0.617 25510 491 1 1 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.495 -0.383 25510 492 1 1 . 1 1 87 87 GLU H H 87 8.402 8.402 7.832 0.570 25510 493 1 1 . 1 1 88 88 ALA N N 88 121.869 121.869 122.049 -0.180 25510 494 1 1 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.921 0.161 25510 495 1 1 . 1 1 88 88 ALA C C 88 179.999 179.999 179.557 0.442 25510 496 1 1 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.676 0.262 25510 497 1 1 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.508 0.909 25510 498 1 1 . 1 1 88 88 ALA H H 88 8.043 8.043 7.558 0.485 25510 499 1 1 . 1 1 89 89 GLU N N 89 115.931 115.931 117.831 -1.900 25510 500 1 1 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.903 0.101 25510 501 1 1 . 1 1 89 89 GLU C C 89 178.454 178.454 179.630 -1.176 25510 502 1 1 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.340 -0.946 25510 503 1 1 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.044 0.100 25510 504 1 1 . 1 1 89 89 GLU H H 89 8.058 8.058 7.804 0.254 25510 505 1 1 . 1 1 90 90 ARG N N 90 119.607 119.607 116.938 2.669 25510 506 1 1 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.188 -0.005 25510 507 1 1 . 1 1 90 90 ARG C C 90 177.870 177.870 178.227 -0.357 25510 508 1 1 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.501 -0.236 25510 509 1 1 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.543 0.706 25510 510 1 1 . 1 1 90 90 ARG H H 90 7.791 7.791 7.926 -0.135 25510 511 1 1 . 1 1 91 91 LYS N N 91 118.638 118.638 119.042 -0.404 25510 512 1 1 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.150 0.047 25510 513 1 1 . 1 1 91 91 LYS C C 91 177.087 177.087 177.433 -0.346 25510 514 1 1 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.403 -0.797 25510 515 1 1 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.006 0.614 25510 516 1 1 . 1 1 91 91 LYS H H 91 7.709 7.709 7.266 0.443 25510 517 1 1 . 1 1 92 92 LEU N N 92 119.640 119.640 117.307 2.333 25510 518 1 1 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.355 -0.026 25510 519 1 1 . 1 1 92 92 LEU C C 92 177.464 177.464 177.354 0.110 25510 520 1 1 . 1 1 92 92 LEU CA C 92 55.618 55.618 54.863 0.755 25510 521 1 1 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.633 -0.278 25510 522 1 1 . 1 1 92 92 LEU H H 92 7.766 7.766 7.208 0.558 25510 523 1 1 . 1 1 93 93 MET N N 93 119.121 119.121 117.724 1.397 25510 524 1 1 . 1 1 93 93 MET HA H 93 4.570 4.570 4.523 0.047 25510 525 1 1 . 1 1 93 93 MET C C 93 176.224 176.224 176.264 -0.040 25510 526 1 1 . 1 1 93 93 MET CA C 93 55.648 55.648 55.880 -0.232 25510 527 1 1 . 1 1 93 93 MET CB C 93 32.978 32.978 33.114 -0.136 25510 528 1 1 . 1 1 93 93 MET H H 93 7.973 7.973 7.425 0.548 25510 529 1 1 . 1 1 94 94 THR N N 94 114.125 114.125 112.249 1.876 25510 530 1 1 . 1 1 94 94 THR HA H 94 4.375 4.375 4.585 -0.210 25510 531 1 1 . 1 1 94 94 THR C C 94 173.550 173.550 173.675 -0.125 25510 532 1 1 . 1 1 94 94 THR CA C 94 61.682 61.682 60.106 1.575 25510 533 1 1 . 1 1 94 94 THR CB C 94 70.027 70.027 71.195 -1.168 25510 534 1 1 . 1 1 94 94 THR H H 94 8.025 8.025 7.359 0.666 25510 535 1 2 . 1 1 2 2 GLU N N 2 119.768 119.768 119.924 -0.156 25510 536 1 2 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.162 -0.142 25510 537 1 2 . 1 1 2 2 GLU C C 2 178.535 178.535 177.747 0.788 25510 538 1 2 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.255 1.494 25510 539 1 2 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.529 -0.421 25510 540 1 2 . 1 1 2 2 GLU H H 2 8.426 8.426 8.864 -0.438 25510 541 1 2 . 1 1 3 3 SER N N 3 113.553 113.553 116.239 -2.686 25510 542 1 2 . 1 1 3 3 SER HA H 3 4.235 4.235 4.193 0.042 25510 543 1 2 . 1 1 3 3 SER C C 3 176.578 176.578 176.390 0.188 25510 544 1 2 . 1 1 3 3 SER CA C 3 61.448 61.448 62.043 -0.595 25510 545 1 2 . 1 1 3 3 SER CB C 3 62.746 62.746 62.597 0.149 25510 546 1 2 . 1 1 3 3 SER H H 3 8.151 8.151 8.468 -0.317 25510 547 1 2 . 1 1 4 4 GLU N N 4 122.599 122.599 122.379 0.220 25510 548 1 2 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.137 -0.060 25510 549 1 2 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.660 0.756 25510 550 1 2 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.473 -1.212 25510 551 1 2 . 1 1 4 4 GLU H H 4 8.051 8.051 7.744 0.307 25510 552 1 2 . 1 1 5 5 TYR N N 5 119.991 119.991 120.432 -0.441 25510 553 1 2 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.237 0.235 25510 554 1 2 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.379 -0.466 25510 555 1 2 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.741 -0.788 25510 556 1 2 . 1 1 5 5 TYR H H 5 8.339 8.339 7.613 0.726 25510 557 1 2 . 1 1 6 6 ARG N N 6 120.010 120.010 118.333 1.677 25510 558 1 2 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.906 -0.147 25510 559 1 2 . 1 1 6 6 ARG C C 6 177.365 177.365 178.006 -0.641 25510 560 1 2 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.317 1.344 25510 561 1 2 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.650 0.688 25510 562 1 2 . 1 1 6 6 ARG H H 6 8.202 8.202 8.205 -0.003 25510 563 1 2 . 1 1 7 7 GLU N N 7 116.287 116.287 120.979 -4.692 25510 564 1 2 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.998 0.052 25510 565 1 2 . 1 1 7 7 GLU C C 7 178.544 178.544 178.397 0.147 25510 566 1 2 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.252 0.162 25510 567 1 2 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.609 -0.586 25510 568 1 2 . 1 1 7 7 GLU H H 7 8.165 8.165 7.963 0.202 25510 569 1 2 . 1 1 8 8 MET N N 8 116.181 116.181 118.892 -2.711 25510 570 1 2 . 1 1 8 8 MET HA H 8 4.411 4.411 4.124 0.287 25510 571 1 2 . 1 1 8 8 MET C C 8 177.616 177.616 178.029 -0.413 25510 572 1 2 . 1 1 8 8 MET CA C 8 59.067 59.067 58.844 0.223 25510 573 1 2 . 1 1 8 8 MET CB C 8 32.089 32.089 32.703 -0.614 25510 574 1 2 . 1 1 8 8 MET H H 8 8.168 8.168 7.631 0.537 25510 575 1 2 . 1 1 9 9 LEU N N 9 122.056 122.056 119.555 2.501 25510 576 1 2 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.843 0.138 25510 577 1 2 . 1 1 9 9 LEU C C 9 177.211 177.211 178.282 -1.071 25510 578 1 2 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.308 1.193 25510 579 1 2 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.635 0.663 25510 580 1 2 . 1 1 9 9 LEU H H 9 7.883 7.883 7.243 0.640 25510 581 1 2 . 1 1 10 10 LEU N N 10 117.952 117.952 117.619 0.333 25510 582 1 2 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.710 0.244 25510 583 1 2 . 1 1 10 10 LEU C C 10 176.132 176.132 179.113 -2.981 25510 584 1 2 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.598 0.794 25510 585 1 2 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.751 1.981 25510 586 1 2 . 1 1 10 10 LEU H H 10 8.011 8.011 7.451 0.560 25510 587 1 2 . 1 1 11 11 LEU N N 11 116.301 116.301 117.439 -1.138 25510 588 1 2 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.933 0.217 25510 589 1 2 . 1 1 11 11 LEU C C 11 179.384 179.384 178.696 0.688 25510 590 1 2 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.002 -0.062 25510 591 1 2 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.603 1.064 25510 592 1 2 . 1 1 11 11 LEU H H 11 8.916 8.916 7.766 1.150 25510 593 1 2 . 1 1 12 12 THR N N 12 112.429 112.429 116.965 -4.536 25510 594 1 2 . 1 1 12 12 THR HA H 12 4.148 4.148 3.951 0.197 25510 595 1 2 . 1 1 12 12 THR C C 12 174.055 174.055 176.008 -1.953 25510 596 1 2 . 1 1 12 12 THR CA C 12 65.127 65.127 66.753 -1.626 25510 597 1 2 . 1 1 12 12 THR CB C 12 68.421 68.421 68.282 0.139 25510 598 1 2 . 1 1 12 12 THR H H 12 7.753 7.753 7.773 -0.020 25510 599 1 2 . 1 1 13 13 GLY N N 13 124.320 124.320 107.514 16.806 25510 600 1 2 . 1 1 13 13 GLY C C 13 173.259 173.259 176.025 -2.766 25510 601 1 2 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.284 1.150 25510 602 1 2 . 1 1 13 13 GLY H H 13 7.019 7.019 7.828 -0.809 25510 603 1 2 . 1 1 14 14 LEU N N 14 121.922 121.922 122.799 -0.877 25510 604 1 2 . 1 1 14 14 LEU HA H 14 3.916 3.916 3.949 -0.033 25510 605 1 2 . 1 1 14 14 LEU C C 14 178.842 178.842 178.373 0.469 25510 606 1 2 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.831 0.219 25510 607 1 2 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.141 0.685 25510 608 1 2 . 1 1 14 14 LEU H H 14 8.941 8.941 7.633 1.308 25510 609 1 2 . 1 1 15 15 ASP N N 15 115.417 115.417 115.314 0.103 25510 610 1 2 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.570 -0.071 25510 611 1 2 . 1 1 15 15 ASP C C 15 175.905 175.905 176.061 -0.156 25510 612 1 2 . 1 1 15 15 ASP CA C 15 54.805 54.805 54.826 -0.021 25510 613 1 2 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.807 -2.981 25510 614 1 2 . 1 1 15 15 ASP H H 15 9.012 9.012 7.832 1.180 25510 615 1 2 . 1 1 16 16 HIS N N 16 114.840 114.840 117.277 -2.437 25510 616 1 2 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.772 -0.038 25510 617 1 2 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.392 0.179 25510 618 1 2 . 1 1 16 16 HIS CB C 16 29.222 29.222 29.910 -0.688 25510 619 1 2 . 1 1 16 16 HIS H H 16 7.807 7.807 7.822 -0.015 25510 620 1 2 . 1 1 17 17 ILE N N 17 111.347 111.347 113.200 -1.853 25510 621 1 2 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.923 0.038 25510 622 1 2 . 1 1 17 17 ILE C C 17 176.154 176.154 174.954 1.200 25510 623 1 2 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.350 0.162 25510 624 1 2 . 1 1 17 17 ILE CB C 17 39.674 39.674 41.112 -1.438 25510 625 1 2 . 1 1 17 17 ILE H H 17 7.041 7.041 7.300 -0.259 25510 626 1 2 . 1 1 18 18 THR N N 18 114.804 114.804 112.567 2.237 25510 627 1 2 . 1 1 18 18 THR HA H 18 4.384 4.384 4.375 0.009 25510 628 1 2 . 1 1 18 18 THR C C 18 174.991 174.991 175.822 -0.831 25510 629 1 2 . 1 1 18 18 THR CA C 18 61.063 61.063 61.362 -0.299 25510 630 1 2 . 1 1 18 18 THR CB C 18 71.227 71.227 70.210 1.017 25510 631 1 2 . 1 1 18 18 THR H H 18 8.672 8.672 8.357 0.315 25510 632 1 2 . 1 1 19 19 GLU N N 19 119.385 119.385 121.189 -1.804 25510 633 1 2 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.045 -0.013 25510 634 1 2 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.760 0.112 25510 635 1 2 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.200 -0.249 25510 636 1 2 . 1 1 19 19 GLU H H 19 8.886 8.886 8.894 -0.008 25510 637 1 2 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.094 -0.004 25510 638 1 2 . 1 1 20 20 GLU C C 20 179.664 179.664 179.064 0.600 25510 639 1 2 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.103 0.492 25510 640 1 2 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.050 -0.007 25510 641 1 2 . 1 1 21 21 GLU N N 21 120.346 120.346 118.957 1.389 25510 642 1 2 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.233 0.037 25510 643 1 2 . 1 1 21 21 GLU C C 21 179.079 179.079 178.931 0.148 25510 644 1 2 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.643 0.875 25510 645 1 2 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.336 0.549 25510 646 1 2 . 1 1 21 21 GLU H H 21 7.611 7.611 7.656 -0.045 25510 647 1 2 . 1 1 22 22 LEU N N 22 122.508 122.508 121.756 0.752 25510 648 1 2 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.080 0.052 25510 649 1 2 . 1 1 22 22 LEU C C 22 178.698 178.698 178.443 0.255 25510 650 1 2 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.397 -0.535 25510 651 1 2 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.028 -0.308 25510 652 1 2 . 1 1 22 22 LEU H H 22 9.016 9.016 7.941 1.075 25510 653 1 2 . 1 1 23 23 LYS N N 23 119.162 119.162 117.167 1.995 25510 654 1 2 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.147 -0.161 25510 655 1 2 . 1 1 23 23 LYS C C 23 179.624 179.624 179.093 0.531 25510 656 1 2 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.288 1.403 25510 657 1 2 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.175 0.219 25510 658 1 2 . 1 1 23 23 LYS H H 23 7.777 7.777 7.620 0.157 25510 659 1 2 . 1 1 24 24 ARG N N 24 119.502 119.502 120.852 -1.350 25510 660 1 2 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.241 -0.040 25510 661 1 2 . 1 1 24 24 ARG C C 24 178.260 178.260 178.480 -0.220 25510 662 1 2 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.484 -0.252 25510 663 1 2 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.270 -0.476 25510 664 1 2 . 1 1 24 24 ARG H H 24 7.397 7.397 7.523 -0.126 25510 665 1 2 . 1 1 25 25 PHE N N 25 120.567 120.567 119.866 0.701 25510 666 1 2 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.263 -0.395 25510 667 1 2 . 1 1 25 25 PHE C C 25 177.302 177.302 177.100 0.202 25510 668 1 2 . 1 1 25 25 PHE CA C 25 62.181 62.181 62.042 0.139 25510 669 1 2 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.208 0.335 25510 670 1 2 . 1 1 25 25 PHE H H 25 8.798 8.798 8.345 0.453 25510 671 1 2 . 1 1 26 26 LYS N N 26 117.901 117.901 118.725 -0.824 25510 672 1 2 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.847 -0.173 25510 673 1 2 . 1 1 26 26 LYS C C 26 177.118 177.118 179.184 -2.066 25510 674 1 2 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.586 1.376 25510 675 1 2 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.272 0.767 25510 676 1 2 . 1 1 26 26 LYS H H 26 8.841 8.841 7.973 0.868 25510 677 1 2 . 1 1 27 27 TYR N N 27 118.480 118.480 121.222 -2.742 25510 678 1 2 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.263 -0.107 25510 679 1 2 . 1 1 27 27 TYR C C 27 178.460 178.460 177.108 1.352 25510 680 1 2 . 1 1 27 27 TYR CA C 27 61.457 61.457 60.878 0.579 25510 681 1 2 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.612 -0.865 25510 682 1 2 . 1 1 27 27 TYR H H 27 7.645 7.645 7.682 -0.037 25510 683 1 2 . 1 1 28 28 PHE N N 28 117.525 117.525 117.722 -0.197 25510 684 1 2 . 1 1 28 28 PHE HA H 28 4.246 4.246 3.964 0.282 25510 685 1 2 . 1 1 28 28 PHE C C 28 178.827 178.827 176.959 1.868 25510 686 1 2 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.075 -0.273 25510 687 1 2 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.206 0.871 25510 688 1 2 . 1 1 28 28 PHE H H 28 7.741 7.741 7.850 -0.109 25510 689 1 2 . 1 1 29 29 ALA N N 29 123.372 123.372 120.109 3.263 25510 690 1 2 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.115 -0.142 25510 691 1 2 . 1 1 29 29 ALA C C 29 178.340 178.340 178.091 0.249 25510 692 1 2 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.821 1.501 25510 693 1 2 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.056 -1.852 25510 694 1 2 . 1 1 29 29 ALA H H 29 8.840 8.840 7.926 0.914 25510 695 1 2 . 1 1 30 30 LEU N N 30 117.039 117.039 119.946 -2.907 25510 696 1 2 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.906 -0.867 25510 697 1 2 . 1 1 30 30 LEU C C 30 178.373 178.373 176.811 1.562 25510 698 1 2 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.756 4.588 25510 699 1 2 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.458 2.469 25510 700 1 2 . 1 1 30 30 LEU H H 30 7.443 7.443 7.621 -0.178 25510 701 1 2 . 1 1 31 31 THR N N 31 125.874 125.874 114.064 11.810 25510 702 1 2 . 1 1 31 31 THR HA H 31 4.228 4.228 4.110 0.118 25510 703 1 2 . 1 1 31 31 THR C C 31 176.282 176.282 175.371 0.911 25510 704 1 2 . 1 1 31 31 THR CA C 31 63.328 63.328 63.343 -0.014 25510 705 1 2 . 1 1 31 31 THR CB C 31 69.170 69.170 69.628 -0.458 25510 706 1 2 . 1 1 31 31 THR H H 31 7.014 7.014 7.825 -0.811 25510 707 1 2 . 1 1 32 32 GLU N N 32 120.558 120.558 119.272 1.286 25510 708 1 2 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.196 -0.044 25510 709 1 2 . 1 1 32 32 GLU C C 32 175.968 175.968 176.463 -0.495 25510 710 1 2 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.623 0.158 25510 711 1 2 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.221 1.840 25510 712 1 2 . 1 1 32 32 GLU H H 32 7.808 7.808 8.499 -0.691 25510 713 1 2 . 1 1 33 33 PHE N N 33 114.045 114.045 117.187 -3.142 25510 714 1 2 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.458 0.012 25510 715 1 2 . 1 1 33 33 PHE CA C 33 57.498 57.498 59.245 -1.747 25510 716 1 2 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.171 1.372 25510 717 1 2 . 1 1 33 33 PHE H H 33 8.390 8.390 7.615 0.775 25510 718 1 2 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.984 0.286 25510 719 1 2 . 1 1 34 34 GLN C C 34 174.516 174.516 175.165 -0.649 25510 720 1 2 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.217 -0.063 25510 721 1 2 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.281 0.040 25510 722 1 2 . 1 1 34 34 GLN H H 34 7.968 7.968 8.181 -0.213 25510 723 1 2 . 1 1 35 35 ILE N N 35 119.653 119.653 119.233 0.420 25510 724 1 2 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.970 0.401 25510 725 1 2 . 1 1 35 35 ILE C C 35 173.592 173.592 175.859 -2.267 25510 726 1 2 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.293 -1.883 25510 727 1 2 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.610 3.147 25510 728 1 2 . 1 1 35 35 ILE H H 35 7.455 7.455 8.125 -0.670 25510 729 1 2 . 1 1 36 36 ALA N N 36 126.668 126.668 130.444 -3.776 25510 730 1 2 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.284 -0.016 25510 731 1 2 . 1 1 36 36 ALA C C 36 178.784 178.784 178.120 0.664 25510 732 1 2 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.760 -0.578 25510 733 1 2 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.393 -0.128 25510 734 1 2 . 1 1 36 36 ALA H H 36 8.238 8.238 8.305 -0.067 25510 735 1 2 . 1 1 37 37 ARG N N 37 123.068 123.068 124.273 -1.205 25510 736 1 2 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.028 -0.212 25510 737 1 2 . 1 1 37 37 ARG CA C 37 59.838 59.838 59.001 0.837 25510 738 1 2 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.398 -0.466 25510 739 1 2 . 1 1 37 37 ARG H H 37 8.820 8.820 8.944 -0.124 25510 740 1 2 . 1 1 38 38 SER N N 38 112.348 112.348 113.663 -1.315 25510 741 1 2 . 1 1 38 38 SER HA H 38 4.178 4.178 4.313 -0.135 25510 742 1 2 . 1 1 38 38 SER C C 38 178.315 178.315 176.179 2.136 25510 743 1 2 . 1 1 38 38 SER CA C 38 60.772 60.772 61.217 -0.445 25510 744 1 2 . 1 1 38 38 SER CB C 38 62.061 62.061 61.674 0.387 25510 745 1 2 . 1 1 38 38 SER H H 38 8.517 8.517 8.406 0.111 25510 746 1 2 . 1 1 39 39 THR N N 39 117.311 117.311 115.539 1.772 25510 747 1 2 . 1 1 39 39 THR HA H 39 4.025 4.025 4.108 -0.083 25510 748 1 2 . 1 1 39 39 THR C C 39 175.203 175.203 175.787 -0.584 25510 749 1 2 . 1 1 39 39 THR CA C 39 64.904 64.904 64.468 0.436 25510 750 1 2 . 1 1 39 39 THR CB C 39 68.726 68.726 68.166 0.560 25510 751 1 2 . 1 1 39 39 THR H H 39 7.231 7.231 7.582 -0.351 25510 752 1 2 . 1 1 40 40 LEU N N 40 118.713 118.713 121.466 -2.753 25510 753 1 2 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.919 0.112 25510 754 1 2 . 1 1 40 40 LEU C C 40 177.743 177.743 178.204 -0.461 25510 755 1 2 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.929 -0.866 25510 756 1 2 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.400 0.894 25510 757 1 2 . 1 1 40 40 LEU H H 40 7.552 7.552 7.570 -0.018 25510 758 1 2 . 1 1 41 41 ASP N N 41 119.468 119.468 118.840 0.628 25510 759 1 2 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.405 0.092 25510 760 1 2 . 1 1 41 41 ASP C C 41 177.111 177.111 177.504 -0.393 25510 761 1 2 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.805 -0.211 25510 762 1 2 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.392 -1.438 25510 763 1 2 . 1 1 41 41 ASP H H 41 8.153 8.153 7.669 0.484 25510 764 1 2 . 1 1 42 42 VAL N N 42 111.960 111.960 110.464 1.496 25510 765 1 2 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.589 -0.261 25510 766 1 2 . 1 1 42 42 VAL C C 42 175.994 175.994 175.996 -0.002 25510 767 1 2 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.873 -0.131 25510 768 1 2 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.436 0.305 25510 769 1 2 . 1 1 42 42 VAL H H 42 7.293 7.293 7.876 -0.583 25510 770 1 2 . 1 1 43 43 ALA N N 43 124.575 124.575 125.422 -0.847 25510 771 1 2 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.940 0.386 25510 772 1 2 . 1 1 43 43 ALA C C 43 177.972 177.972 178.973 -1.001 25510 773 1 2 . 1 1 43 43 ALA CA C 43 53.078 53.078 56.097 -3.019 25510 774 1 2 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.514 0.937 25510 775 1 2 . 1 1 43 43 ALA H H 43 7.626 7.626 8.124 -0.498 25510 776 1 2 . 1 1 44 44 ASP N N 44 119.810 119.810 117.116 2.694 25510 777 1 2 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.228 -0.168 25510 778 1 2 . 1 1 44 44 ASP C C 44 179.346 179.346 178.018 1.328 25510 779 1 2 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.854 1.470 25510 780 1 2 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.096 -8.164 25510 781 1 2 . 1 1 44 44 ASP H H 44 8.002 8.002 8.807 -0.805 25510 782 1 2 . 1 1 45 45 ARG N N 45 123.564 123.564 118.614 4.950 25510 783 1 2 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.296 -0.527 25510 784 1 2 . 1 1 45 45 ARG C C 45 177.492 177.492 178.774 -1.282 25510 785 1 2 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.144 2.665 25510 786 1 2 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.260 2.754 25510 787 1 2 . 1 1 45 45 ARG H H 45 8.611 8.611 7.558 1.053 25510 788 1 2 . 1 1 46 46 THR N N 46 118.315 118.315 111.985 6.330 25510 789 1 2 . 1 1 46 46 THR HA H 46 4.051 4.051 4.316 -0.265 25510 790 1 2 . 1 1 46 46 THR C C 46 179.947 179.947 176.311 3.636 25510 791 1 2 . 1 1 46 46 THR CA C 46 59.605 59.605 65.041 -5.436 25510 792 1 2 . 1 1 46 46 THR CB C 46 32.375 32.375 69.217 -36.842 25510 793 1 2 . 1 1 46 46 THR H H 46 8.182 8.182 7.849 0.333 25510 794 1 2 . 1 1 47 47 GLU N N 47 118.691 118.691 122.036 -3.345 25510 795 1 2 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.242 -0.220 25510 796 1 2 . 1 1 47 47 GLU C C 47 179.758 179.758 178.973 0.785 25510 797 1 2 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.229 -0.030 25510 798 1 2 . 1 1 47 47 GLU H H 47 8.117 8.117 7.667 0.450 25510 799 1 2 . 1 1 48 48 LEU N N 48 120.020 120.020 121.159 -1.139 25510 800 1 2 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.991 -0.232 25510 801 1 2 . 1 1 48 48 LEU C C 48 177.474 177.474 178.661 -1.187 25510 802 1 2 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.786 0.788 25510 803 1 2 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.661 -0.059 25510 804 1 2 . 1 1 48 48 LEU H H 48 8.355 8.355 8.284 0.071 25510 805 1 2 . 1 1 49 49 ALA N N 49 120.164 120.164 121.305 -1.141 25510 806 1 2 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.915 -0.226 25510 807 1 2 . 1 1 49 49 ALA C C 49 178.552 178.552 179.072 -0.520 25510 808 1 2 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.309 0.820 25510 809 1 2 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.932 -0.296 25510 810 1 2 . 1 1 49 49 ALA H H 49 8.224 8.224 7.787 0.437 25510 811 1 2 . 1 1 50 50 ASP N N 50 115.824 115.824 118.512 -2.688 25510 812 1 2 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.364 0.054 25510 813 1 2 . 1 1 50 50 ASP C C 50 179.108 179.108 178.248 0.860 25510 814 1 2 . 1 1 50 50 ASP CA C 50 57.921 57.921 56.980 0.941 25510 815 1 2 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.133 -1.370 25510 816 1 2 . 1 1 50 50 ASP H H 50 8.041 8.041 7.641 0.400 25510 817 1 2 . 1 1 51 51 HIS N N 51 117.866 117.866 119.984 -2.118 25510 818 1 2 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.219 0.246 25510 819 1 2 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.862 -1.372 25510 820 1 2 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.135 -2.070 25510 821 1 2 . 1 1 51 51 HIS H H 51 8.541 8.541 8.215 0.326 25510 822 1 2 . 1 1 52 52 LEU N N 52 120.279 120.279 117.867 2.412 25510 823 1 2 . 1 1 52 52 LEU HA H 52 3.626 3.626 4.044 -0.418 25510 824 1 2 . 1 1 52 52 LEU C C 52 178.488 178.488 178.334 0.154 25510 825 1 2 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.969 0.410 25510 826 1 2 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.818 -1.387 25510 827 1 2 . 1 1 52 52 LEU H H 52 8.529 8.529 7.834 0.695 25510 828 1 2 . 1 1 53 53 ILE N N 53 119.478 119.478 118.287 1.191 25510 829 1 2 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.780 -0.341 25510 830 1 2 . 1 1 53 53 ILE C C 53 178.798 178.798 178.407 0.391 25510 831 1 2 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.588 0.397 25510 832 1 2 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.168 0.485 25510 833 1 2 . 1 1 53 53 ILE H H 53 8.069 8.069 7.440 0.629 25510 834 1 2 . 1 1 54 54 GLN N N 54 119.904 119.904 118.760 1.144 25510 835 1 2 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.060 -0.040 25510 836 1 2 . 1 1 54 54 GLN C C 54 177.668 177.668 177.142 0.526 25510 837 1 2 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.371 0.289 25510 838 1 2 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.702 -0.213 25510 839 1 2 . 1 1 54 54 GLN H H 54 8.382 8.382 7.945 0.437 25510 840 1 2 . 1 1 55 55 SER N N 55 110.647 110.647 114.299 -3.652 25510 841 1 2 . 1 1 55 55 SER HA H 55 4.353 4.353 4.235 0.118 25510 842 1 2 . 1 1 55 55 SER C C 55 175.910 175.910 175.754 0.156 25510 843 1 2 . 1 1 55 55 SER CA C 55 61.019 61.019 59.696 1.323 25510 844 1 2 . 1 1 55 55 SER CB C 55 63.997 63.997 64.119 -0.122 25510 845 1 2 . 1 1 55 55 SER H H 55 7.623 7.623 7.526 0.097 25510 846 1 2 . 1 1 56 56 ALA N N 56 118.590 118.590 122.245 -3.655 25510 847 1 2 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.644 0.081 25510 848 1 2 . 1 1 56 56 ALA C C 56 178.537 178.537 176.865 1.672 25510 849 1 2 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.216 0.496 25510 850 1 2 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.127 0.635 25510 851 1 2 . 1 1 56 56 ALA H H 56 7.908 7.908 7.825 0.083 25510 852 1 2 . 1 1 57 57 GLY N N 57 109.060 109.060 106.797 2.263 25510 853 1 2 . 1 1 57 57 GLY C C 57 174.410 174.410 173.971 0.439 25510 854 1 2 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.635 -0.404 25510 855 1 2 . 1 1 57 57 GLY H H 57 7.996 7.996 7.517 0.479 25510 856 1 2 . 1 1 58 58 ALA N N 58 123.460 123.460 123.716 -0.256 25510 857 1 2 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.106 -0.100 25510 858 1 2 . 1 1 58 58 ALA C C 58 177.285 177.285 179.012 -1.727 25510 859 1 2 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.557 2.524 25510 860 1 2 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.977 0.229 25510 861 1 2 . 1 1 58 58 ALA H H 58 8.710 8.710 8.610 0.100 25510 862 1 2 . 1 1 59 59 ALA N N 59 118.918 118.918 119.804 -0.886 25510 863 1 2 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.081 -1.134 25510 864 1 2 . 1 1 59 59 ALA C C 59 181.017 181.017 179.337 1.680 25510 865 1 2 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.772 0.622 25510 866 1 2 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.915 0.115 25510 867 1 2 . 1 1 59 59 ALA H H 59 8.272 8.272 8.713 -0.441 25510 868 1 2 . 1 1 60 60 SER N N 60 112.905 112.905 113.786 -0.881 25510 869 1 2 . 1 1 60 60 SER HA H 60 4.130 4.130 4.187 -0.057 25510 870 1 2 . 1 1 60 60 SER C C 60 176.246 176.246 176.446 -0.200 25510 871 1 2 . 1 1 60 60 SER CA C 60 60.601 60.601 61.240 -0.639 25510 872 1 2 . 1 1 60 60 SER CB C 60 62.796 62.796 62.727 0.069 25510 873 1 2 . 1 1 60 60 SER H H 60 8.218 8.218 8.110 0.108 25510 874 1 2 . 1 1 61 61 ALA N N 61 121.207 121.207 124.441 -3.234 25510 875 1 2 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.195 -0.039 25510 876 1 2 . 1 1 61 61 ALA C C 61 179.639 179.639 179.679 -0.040 25510 877 1 2 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.846 0.808 25510 878 1 2 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.498 0.052 25510 879 1 2 . 1 1 61 61 ALA H H 61 8.583 8.583 7.435 1.148 25510 880 1 2 . 1 1 62 62 VAL N N 62 116.024 116.024 117.607 -1.583 25510 881 1 2 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.626 0.047 25510 882 1 2 . 1 1 62 62 VAL C C 62 177.567 177.567 177.963 -0.396 25510 883 1 2 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.290 1.613 25510 884 1 2 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.842 -0.289 25510 885 1 2 . 1 1 62 62 VAL H H 62 7.517 7.517 7.980 -0.463 25510 886 1 2 . 1 1 63 63 THR N N 63 117.797 117.797 112.755 5.042 25510 887 1 2 . 1 1 63 63 THR HA H 63 4.318 4.318 4.270 0.048 25510 888 1 2 . 1 1 63 63 THR C C 63 176.800 176.800 176.583 0.217 25510 889 1 2 . 1 1 63 63 THR CA C 63 68.590 68.590 65.285 3.305 25510 890 1 2 . 1 1 63 63 THR CB C 63 67.818 67.818 68.856 -1.038 25510 891 1 2 . 1 1 63 63 THR H H 63 8.007 8.007 7.700 0.307 25510 892 1 2 . 1 1 64 64 LYS N N 64 121.300 121.300 121.679 -0.379 25510 893 1 2 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.174 -0.277 25510 894 1 2 . 1 1 64 64 LYS C C 64 178.721 178.721 178.521 0.200 25510 895 1 2 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.437 1.505 25510 896 1 2 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.215 3.023 25510 897 1 2 . 1 1 64 64 LYS H H 64 8.771 8.771 7.665 1.106 25510 898 1 2 . 1 1 65 65 ALA N N 65 121.115 121.115 122.437 -1.322 25510 899 1 2 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.250 -0.198 25510 900 1 2 . 1 1 65 65 ALA C C 65 178.759 178.759 179.424 -0.665 25510 901 1 2 . 1 1 65 65 ALA CA C 65 56.050 56.050 54.981 1.069 25510 902 1 2 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.294 -0.050 25510 903 1 2 . 1 1 65 65 ALA H H 65 8.598 8.598 8.349 0.249 25510 904 1 2 . 1 1 66 66 ILE N N 66 118.735 118.735 118.444 0.291 25510 905 1 2 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.835 -0.186 25510 906 1 2 . 1 1 66 66 ILE C C 66 177.252 177.252 177.678 -0.426 25510 907 1 2 . 1 1 66 66 ILE CA C 66 67.959 67.959 64.140 3.819 25510 908 1 2 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.948 1.101 25510 909 1 2 . 1 1 66 66 ILE H H 66 8.657 8.657 7.642 1.015 25510 910 1 2 . 1 1 67 67 ASN N N 67 117.463 117.463 118.822 -1.359 25510 911 1 2 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.744 -0.337 25510 912 1 2 . 1 1 67 67 ASN C C 67 178.095 178.095 178.232 -0.137 25510 913 1 2 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.592 -0.023 25510 914 1 2 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.471 -0.090 25510 915 1 2 . 1 1 67 67 ASN H H 67 7.525 7.525 7.753 -0.228 25510 916 1 2 . 1 1 68 68 ILE N N 68 120.886 120.886 119.932 0.954 25510 917 1 2 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.783 -0.537 25510 918 1 2 . 1 1 68 68 ILE C C 68 177.540 177.540 177.798 -0.258 25510 919 1 2 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.794 1.422 25510 920 1 2 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.132 -0.716 25510 921 1 2 . 1 1 68 68 ILE H H 68 8.170 8.170 7.496 0.674 25510 922 1 2 . 1 1 69 69 PHE N N 69 117.836 117.836 119.941 -2.105 25510 923 1 2 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.273 0.125 25510 924 1 2 . 1 1 69 69 PHE C C 69 178.279 178.279 177.396 0.883 25510 925 1 2 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.754 1.083 25510 926 1 2 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.372 -1.378 25510 927 1 2 . 1 1 69 69 PHE H H 69 8.963 8.963 8.413 0.550 25510 928 1 2 . 1 1 70 70 GLN N N 70 118.145 118.145 118.771 -0.626 25510 929 1 2 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.881 0.261 25510 930 1 2 . 1 1 70 70 GLN C C 70 180.057 180.057 177.982 2.075 25510 931 1 2 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.711 1.075 25510 932 1 2 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.388 -0.715 25510 933 1 2 . 1 1 70 70 GLN H H 70 8.480 8.480 8.526 -0.046 25510 934 1 2 . 1 1 71 71 LYS N N 71 123.368 123.368 117.792 5.576 25510 935 1 2 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.026 -0.101 25510 936 1 2 . 1 1 71 71 LYS C C 71 178.755 178.755 177.471 1.284 25510 937 1 2 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.415 1.087 25510 938 1 2 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.127 -0.099 25510 939 1 2 . 1 1 71 71 LYS H H 71 8.099 8.099 7.566 0.533 25510 940 1 2 . 1 1 72 72 LEU N N 72 117.830 117.830 117.630 0.200 25510 941 1 2 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.174 -0.182 25510 942 1 2 . 1 1 72 72 LEU C C 72 175.462 175.462 176.450 -0.988 25510 943 1 2 . 1 1 72 72 LEU CA C 72 55.069 55.069 55.541 -0.472 25510 944 1 2 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.875 -0.720 25510 945 1 2 . 1 1 72 72 LEU H H 72 7.866 7.866 7.388 0.478 25510 946 1 2 . 1 1 73 73 ASN N N 73 113.996 113.996 113.481 0.515 25510 947 1 2 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.550 -0.211 25510 948 1 2 . 1 1 73 73 ASN C C 73 175.753 175.753 174.924 0.829 25510 949 1 2 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.566 0.908 25510 950 1 2 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.925 -3.446 25510 951 1 2 . 1 1 73 73 ASN H H 73 8.026 8.026 7.729 0.297 25510 952 1 2 . 1 1 74 74 TYR N N 74 122.244 122.244 119.050 3.194 25510 953 1 2 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.775 0.502 25510 954 1 2 . 1 1 74 74 TYR C C 74 177.548 177.548 174.858 2.690 25510 955 1 2 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.699 -2.640 25510 956 1 2 . 1 1 74 74 TYR CB C 74 35.376 35.376 37.988 -2.612 25510 957 1 2 . 1 1 74 74 TYR H H 74 8.613 8.613 7.296 1.317 25510 958 1 2 . 1 1 75 75 MET N N 75 117.619 117.619 122.330 -4.711 25510 959 1 2 . 1 1 75 75 MET HA H 75 4.275 4.275 3.955 0.320 25510 960 1 2 . 1 1 75 75 MET C C 75 178.716 178.716 176.032 2.684 25510 961 1 2 . 1 1 75 75 MET CA C 75 57.231 57.231 59.306 -2.075 25510 962 1 2 . 1 1 75 75 MET CB C 75 30.304 30.304 32.435 -2.131 25510 963 1 2 . 1 1 75 75 MET H H 75 7.722 7.722 8.121 -0.399 25510 964 1 2 . 1 1 76 76 HIS N N 76 117.559 117.559 117.400 0.159 25510 965 1 2 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.427 0.040 25510 966 1 2 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.205 -0.208 25510 967 1 2 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.693 -2.256 25510 968 1 2 . 1 1 76 76 HIS H H 76 8.865 8.865 8.544 0.321 25510 969 1 2 . 1 1 77 77 ILE N N 77 119.750 119.750 120.406 -0.656 25510 970 1 2 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.744 -0.160 25510 971 1 2 . 1 1 77 77 ILE C C 77 177.168 177.168 177.944 -0.776 25510 972 1 2 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.940 0.264 25510 973 1 2 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.771 0.029 25510 974 1 2 . 1 1 77 77 ILE H H 77 7.356 7.356 7.899 -0.543 25510 975 1 2 . 1 1 78 78 ALA N N 78 120.662 120.662 121.975 -1.313 25510 976 1 2 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.914 0.016 25510 977 1 2 . 1 1 78 78 ALA C C 78 178.936 178.936 178.589 0.347 25510 978 1 2 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.538 0.883 25510 979 1 2 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.226 0.761 25510 980 1 2 . 1 1 78 78 ALA H H 78 8.054 8.054 8.495 -0.441 25510 981 1 2 . 1 1 79 79 ASN N N 79 114.176 114.176 116.622 -2.446 25510 982 1 2 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.596 -0.152 25510 983 1 2 . 1 1 79 79 ASN C C 79 177.625 177.625 177.362 0.263 25510 984 1 2 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.343 -0.292 25510 985 1 2 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.326 -0.102 25510 986 1 2 . 1 1 79 79 ASN H H 79 8.531 8.531 7.793 0.738 25510 987 1 2 . 1 1 80 80 ALA N N 80 123.670 123.670 121.324 2.346 25510 988 1 2 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.129 -0.001 25510 989 1 2 . 1 1 80 80 ALA C C 80 180.727 180.727 179.429 1.298 25510 990 1 2 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.435 0.727 25510 991 1 2 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.445 -0.183 25510 992 1 2 . 1 1 80 80 ALA H H 80 7.822 7.822 7.555 0.267 25510 993 1 2 . 1 1 81 81 LEU N N 81 120.065 120.065 119.403 0.662 25510 994 1 2 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.070 -0.078 25510 995 1 2 . 1 1 81 81 LEU C C 81 177.550 177.550 178.791 -1.241 25510 996 1 2 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.371 0.502 25510 997 1 2 . 1 1 81 81 LEU CB C 81 42.339 42.339 42.024 0.315 25510 998 1 2 . 1 1 81 81 LEU H H 81 8.526 8.526 7.353 1.173 25510 999 1 2 . 1 1 82 82 GLU N N 82 119.844 119.844 118.658 1.186 25510 1000 1 2 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.966 0.029 25510 1001 1 2 . 1 1 82 82 GLU C C 82 178.510 178.510 178.899 -0.389 25510 1002 1 2 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.088 0.583 25510 1003 1 2 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.784 0.020 25510 1004 1 2 . 1 1 82 82 GLU H H 82 8.429 8.429 8.753 -0.324 25510 1005 1 2 . 1 1 83 83 GLU N N 83 118.585 118.585 120.994 -2.409 25510 1006 1 2 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.088 -0.034 25510 1007 1 2 . 1 1 83 83 GLU C C 83 179.516 179.516 178.511 1.005 25510 1008 1 2 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.495 1.409 25510 1009 1 2 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.240 -0.281 25510 1010 1 2 . 1 1 83 83 GLU H H 83 8.138 8.138 8.004 0.134 25510 1011 1 2 . 1 1 84 84 LYS N N 84 119.135 119.135 119.094 0.041 25510 1012 1 2 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.062 0.058 25510 1013 1 2 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.834 0.875 25510 1014 1 2 . 1 1 84 84 LYS H H 84 8.690 8.690 7.749 0.941 25510 1015 1 2 . 1 1 85 85 LYS N N 85 118.012 118.012 119.756 -1.744 25510 1016 1 2 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.058 0.399 25510 1017 1 2 . 1 1 85 85 LYS H H 85 8.109 8.109 7.756 0.353 25510 1018 1 2 . 1 1 86 86 LYS N N 86 119.839 119.839 116.789 3.050 25510 1019 1 2 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.146 -0.228 25510 1020 1 2 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.956 4.342 25510 1021 1 2 . 1 1 86 86 LYS H H 86 8.577 8.577 7.630 0.947 25510 1022 1 2 . 1 1 87 87 GLU N N 87 119.674 119.674 119.381 0.293 25510 1023 1 2 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.152 -0.161 25510 1024 1 2 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.108 1.131 25510 1025 1 2 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.790 -0.678 25510 1026 1 2 . 1 1 87 87 GLU H H 87 8.402 8.402 7.884 0.518 25510 1027 1 2 . 1 1 88 88 ALA N N 88 121.869 121.869 122.308 -0.439 25510 1028 1 2 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.810 0.272 25510 1029 1 2 . 1 1 88 88 ALA C C 88 179.999 179.999 179.439 0.560 25510 1030 1 2 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.741 0.197 25510 1031 1 2 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.594 0.823 25510 1032 1 2 . 1 1 88 88 ALA H H 88 8.043 8.043 7.425 0.618 25510 1033 1 2 . 1 1 89 89 GLU N N 89 115.931 115.931 117.921 -1.990 25510 1034 1 2 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.809 0.195 25510 1035 1 2 . 1 1 89 89 GLU C C 89 178.454 178.454 179.181 -0.727 25510 1036 1 2 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.453 -1.059 25510 1037 1 2 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.340 -0.197 25510 1038 1 2 . 1 1 89 89 GLU H H 89 8.058 8.058 7.837 0.221 25510 1039 1 2 . 1 1 90 90 ARG N N 90 119.607 119.607 117.977 1.630 25510 1040 1 2 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.102 0.081 25510 1041 1 2 . 1 1 90 90 ARG C C 90 177.870 177.870 178.526 -0.656 25510 1042 1 2 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.382 -0.117 25510 1043 1 2 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.720 0.529 25510 1044 1 2 . 1 1 90 90 ARG H H 90 7.791 7.791 7.685 0.106 25510 1045 1 2 . 1 1 91 91 LYS N N 91 118.638 118.638 118.276 0.362 25510 1046 1 2 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.045 0.152 25510 1047 1 2 . 1 1 91 91 LYS C C 91 177.087 177.087 177.461 -0.374 25510 1048 1 2 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.832 -1.226 25510 1049 1 2 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.222 0.398 25510 1050 1 2 . 1 1 91 91 LYS H H 91 7.709 7.709 7.430 0.279 25510 1051 1 2 . 1 1 92 92 LEU N N 92 119.640 119.640 115.912 3.728 25510 1052 1 2 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.355 -0.026 25510 1053 1 2 . 1 1 92 92 LEU C C 92 177.464 177.464 177.505 -0.041 25510 1054 1 2 . 1 1 92 92 LEU CA C 92 55.618 55.618 54.456 1.162 25510 1055 1 2 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.687 -0.332 25510 1056 1 2 . 1 1 92 92 LEU H H 92 7.766 7.766 7.241 0.525 25510 1057 1 2 . 1 1 93 93 MET N N 93 119.121 119.121 117.412 1.709 25510 1058 1 2 . 1 1 93 93 MET HA H 93 4.570 4.570 4.466 0.104 25510 1059 1 2 . 1 1 93 93 MET C C 93 176.224 176.224 176.871 -0.647 25510 1060 1 2 . 1 1 93 93 MET CA C 93 55.648 55.648 55.395 0.253 25510 1061 1 2 . 1 1 93 93 MET CB C 93 32.978 32.978 33.553 -0.575 25510 1062 1 2 . 1 1 93 93 MET H H 93 7.973 7.973 7.499 0.474 25510 1063 1 2 . 1 1 94 94 THR N N 94 114.125 114.125 116.149 -2.024 25510 1064 1 2 . 1 1 94 94 THR HA H 94 4.375 4.375 4.175 0.200 25510 1065 1 2 . 1 1 94 94 THR C C 94 173.550 173.550 173.870 -0.320 25510 1066 1 2 . 1 1 94 94 THR CA C 94 61.682 61.682 62.586 -0.904 25510 1067 1 2 . 1 1 94 94 THR CB C 94 70.027 70.027 69.619 0.408 25510 1068 1 2 . 1 1 94 94 THR H H 94 8.025 8.025 7.784 0.241 25510 1069 1 3 . 1 1 2 2 GLU N N 2 119.768 119.768 122.529 -2.761 25510 1070 1 3 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.137 -0.117 25510 1071 1 3 . 1 1 2 2 GLU C C 2 178.535 178.535 177.840 0.695 25510 1072 1 3 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.526 1.222 25510 1073 1 3 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.081 0.026 25510 1074 1 3 . 1 1 2 2 GLU H H 2 8.426 8.426 8.964 -0.538 25510 1075 1 3 . 1 1 3 3 SER N N 3 113.553 113.553 116.111 -2.558 25510 1076 1 3 . 1 1 3 3 SER HA H 3 4.235 4.235 4.210 0.025 25510 1077 1 3 . 1 1 3 3 SER C C 3 176.578 176.578 176.567 0.011 25510 1078 1 3 . 1 1 3 3 SER CA C 3 61.448 61.448 61.989 -0.541 25510 1079 1 3 . 1 1 3 3 SER CB C 3 62.746 62.746 62.590 0.156 25510 1080 1 3 . 1 1 3 3 SER H H 3 8.151 8.151 8.453 -0.302 25510 1081 1 3 . 1 1 4 4 GLU N N 4 122.599 122.599 121.613 0.986 25510 1082 1 3 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.108 -0.031 25510 1083 1 3 . 1 1 4 4 GLU CA C 4 59.416 59.416 59.051 0.365 25510 1084 1 3 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.604 -1.343 25510 1085 1 3 . 1 1 4 4 GLU H H 4 8.051 8.051 7.788 0.263 25510 1086 1 3 . 1 1 5 5 TYR N N 5 119.991 119.991 120.175 -0.184 25510 1087 1 3 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.211 0.261 25510 1088 1 3 . 1 1 5 5 TYR CA C 5 60.913 60.913 60.914 -0.001 25510 1089 1 3 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.371 -0.418 25510 1090 1 3 . 1 1 5 5 TYR H H 5 8.339 8.339 7.427 0.912 25510 1091 1 3 . 1 1 6 6 ARG N N 6 120.010 120.010 117.519 2.491 25510 1092 1 3 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.839 -0.080 25510 1093 1 3 . 1 1 6 6 ARG C C 6 177.365 177.365 178.145 -0.780 25510 1094 1 3 . 1 1 6 6 ARG CA C 6 60.661 60.661 58.991 1.670 25510 1095 1 3 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.703 0.634 25510 1096 1 3 . 1 1 6 6 ARG H H 6 8.202 8.202 8.003 0.199 25510 1097 1 3 . 1 1 7 7 GLU N N 7 116.287 116.287 121.241 -4.954 25510 1098 1 3 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.061 -0.011 25510 1099 1 3 . 1 1 7 7 GLU C C 7 178.544 178.544 178.400 0.144 25510 1100 1 3 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.007 0.407 25510 1101 1 3 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.785 -0.762 25510 1102 1 3 . 1 1 7 7 GLU H H 7 8.165 8.165 8.071 0.094 25510 1103 1 3 . 1 1 8 8 MET N N 8 116.181 116.181 119.847 -3.666 25510 1104 1 3 . 1 1 8 8 MET HA H 8 4.411 4.411 4.169 0.242 25510 1105 1 3 . 1 1 8 8 MET C C 8 177.616 177.616 177.610 0.006 25510 1106 1 3 . 1 1 8 8 MET CA C 8 59.067 59.067 57.544 1.523 25510 1107 1 3 . 1 1 8 8 MET CB C 8 32.089 32.089 32.436 -0.347 25510 1108 1 3 . 1 1 8 8 MET H H 8 8.168 8.168 7.963 0.205 25510 1109 1 3 . 1 1 9 9 LEU N N 9 122.056 122.056 118.945 3.111 25510 1110 1 3 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.922 0.059 25510 1111 1 3 . 1 1 9 9 LEU C C 9 177.211 177.211 178.288 -1.077 25510 1112 1 3 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.342 1.159 25510 1113 1 3 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.595 0.703 25510 1114 1 3 . 1 1 9 9 LEU H H 9 7.883 7.883 7.350 0.533 25510 1115 1 3 . 1 1 10 10 LEU N N 10 117.952 117.952 118.245 -0.293 25510 1116 1 3 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.927 0.027 25510 1117 1 3 . 1 1 10 10 LEU C C 10 176.132 176.132 178.909 -2.777 25510 1118 1 3 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.233 1.159 25510 1119 1 3 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.441 2.291 25510 1120 1 3 . 1 1 10 10 LEU H H 10 8.011 8.011 7.297 0.714 25510 1121 1 3 . 1 1 11 11 LEU N N 11 116.301 116.301 119.147 -2.846 25510 1122 1 3 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.917 0.233 25510 1123 1 3 . 1 1 11 11 LEU C C 11 179.384 179.384 178.624 0.760 25510 1124 1 3 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.912 0.028 25510 1125 1 3 . 1 1 11 11 LEU CB C 11 41.667 41.667 41.600 0.067 25510 1126 1 3 . 1 1 11 11 LEU H H 11 8.916 8.916 7.893 1.023 25510 1127 1 3 . 1 1 12 12 THR N N 12 112.429 112.429 115.803 -3.374 25510 1128 1 3 . 1 1 12 12 THR HA H 12 4.148 4.148 3.952 0.196 25510 1129 1 3 . 1 1 12 12 THR C C 12 174.055 174.055 175.890 -1.835 25510 1130 1 3 . 1 1 12 12 THR CA C 12 65.127 65.127 66.331 -1.204 25510 1131 1 3 . 1 1 12 12 THR CB C 12 68.421 68.421 68.369 0.052 25510 1132 1 3 . 1 1 12 12 THR H H 12 7.753 7.753 8.140 -0.387 25510 1133 1 3 . 1 1 13 13 GLY N N 13 124.320 124.320 108.178 16.142 25510 1134 1 3 . 1 1 13 13 GLY C C 13 173.259 173.259 175.660 -2.401 25510 1135 1 3 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.456 0.978 25510 1136 1 3 . 1 1 13 13 GLY H H 13 7.019 7.019 7.494 -0.475 25510 1137 1 3 . 1 1 14 14 LEU N N 14 121.922 121.922 121.276 0.646 25510 1138 1 3 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.085 -0.169 25510 1139 1 3 . 1 1 14 14 LEU C C 14 178.842 178.842 178.660 0.182 25510 1140 1 3 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.748 0.302 25510 1141 1 3 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.227 0.599 25510 1142 1 3 . 1 1 14 14 LEU H H 14 8.941 8.941 7.418 1.523 25510 1143 1 3 . 1 1 15 15 ASP N N 15 115.417 115.417 115.425 -0.008 25510 1144 1 3 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.589 -0.090 25510 1145 1 3 . 1 1 15 15 ASP C C 15 175.905 175.905 176.488 -0.583 25510 1146 1 3 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.436 -0.631 25510 1147 1 3 . 1 1 15 15 ASP CB C 15 37.826 37.826 41.003 -3.177 25510 1148 1 3 . 1 1 15 15 ASP H H 15 9.012 9.012 7.887 1.125 25510 1149 1 3 . 1 1 16 16 HIS N N 16 114.840 114.840 116.994 -2.154 25510 1150 1 3 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.653 0.081 25510 1151 1 3 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.572 -1.000 25510 1152 1 3 . 1 1 16 16 HIS CB C 16 29.222 29.222 32.530 -3.308 25510 1153 1 3 . 1 1 16 16 HIS H H 16 7.807 7.807 7.833 -0.026 25510 1154 1 3 . 1 1 17 17 ILE N N 17 111.347 111.347 117.445 -6.098 25510 1155 1 3 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.561 0.400 25510 1156 1 3 . 1 1 17 17 ILE C C 17 176.154 176.154 176.204 -0.050 25510 1157 1 3 . 1 1 17 17 ILE CA C 17 59.512 59.512 60.112 -0.600 25510 1158 1 3 . 1 1 17 17 ILE CB C 17 39.674 39.674 39.520 0.154 25510 1159 1 3 . 1 1 17 17 ILE H H 17 7.041 7.041 7.846 -0.805 25510 1160 1 3 . 1 1 18 18 THR N N 18 114.804 114.804 112.633 2.171 25510 1161 1 3 . 1 1 18 18 THR HA H 18 4.384 4.384 4.484 -0.100 25510 1162 1 3 . 1 1 18 18 THR C C 18 174.991 174.991 175.713 -0.722 25510 1163 1 3 . 1 1 18 18 THR CA C 18 61.063 61.063 60.618 0.445 25510 1164 1 3 . 1 1 18 18 THR CB C 18 71.227 71.227 70.859 0.368 25510 1165 1 3 . 1 1 18 18 THR H H 18 8.672 8.672 8.513 0.159 25510 1166 1 3 . 1 1 19 19 GLU N N 19 119.385 119.385 121.367 -1.982 25510 1167 1 3 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.981 0.051 25510 1168 1 3 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.635 0.237 25510 1169 1 3 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.902 0.049 25510 1170 1 3 . 1 1 19 19 GLU H H 19 8.886 8.886 8.884 0.002 25510 1171 1 3 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.073 0.017 25510 1172 1 3 . 1 1 20 20 GLU C C 20 179.664 179.664 179.099 0.565 25510 1173 1 3 . 1 1 20 20 GLU CA C 20 59.595 59.595 58.929 0.666 25510 1174 1 3 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.983 0.060 25510 1175 1 3 . 1 1 21 21 GLU N N 21 120.346 120.346 119.792 0.554 25510 1176 1 3 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.136 0.134 25510 1177 1 3 . 1 1 21 21 GLU C C 21 179.079 179.079 178.851 0.228 25510 1178 1 3 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.167 0.351 25510 1179 1 3 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.742 0.143 25510 1180 1 3 . 1 1 21 21 GLU H H 21 7.611 7.611 7.601 0.010 25510 1181 1 3 . 1 1 22 22 LEU N N 22 122.508 122.508 121.655 0.853 25510 1182 1 3 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.056 0.076 25510 1183 1 3 . 1 1 22 22 LEU C C 22 178.698 178.698 178.143 0.555 25510 1184 1 3 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.407 -0.546 25510 1185 1 3 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.053 -0.333 25510 1186 1 3 . 1 1 22 22 LEU H H 22 9.016 9.016 8.044 0.972 25510 1187 1 3 . 1 1 23 23 LYS N N 23 119.162 119.162 117.422 1.740 25510 1188 1 3 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.037 -0.051 25510 1189 1 3 . 1 1 23 23 LYS C C 23 179.624 179.624 179.364 0.260 25510 1190 1 3 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.731 0.960 25510 1191 1 3 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.053 0.341 25510 1192 1 3 . 1 1 23 23 LYS H H 23 7.777 7.777 7.647 0.130 25510 1193 1 3 . 1 1 24 24 ARG N N 24 119.502 119.502 119.119 0.383 25510 1194 1 3 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.135 0.066 25510 1195 1 3 . 1 1 24 24 ARG C C 24 178.260 178.260 178.825 -0.565 25510 1196 1 3 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.098 0.134 25510 1197 1 3 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.035 -0.241 25510 1198 1 3 . 1 1 24 24 ARG H H 24 7.397 7.397 7.518 -0.121 25510 1199 1 3 . 1 1 25 25 PHE N N 25 120.567 120.567 121.875 -1.308 25510 1200 1 3 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.312 -0.444 25510 1201 1 3 . 1 1 25 25 PHE C C 25 177.302 177.302 177.032 0.270 25510 1202 1 3 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.602 0.579 25510 1203 1 3 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.079 0.464 25510 1204 1 3 . 1 1 25 25 PHE H H 25 8.798 8.798 8.003 0.795 25510 1205 1 3 . 1 1 26 26 LYS N N 26 117.901 117.901 118.735 -0.834 25510 1206 1 3 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.803 -0.129 25510 1207 1 3 . 1 1 26 26 LYS C C 26 177.118 177.118 179.171 -2.053 25510 1208 1 3 . 1 1 26 26 LYS CA C 26 60.962 60.962 58.898 2.064 25510 1209 1 3 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.888 1.151 25510 1210 1 3 . 1 1 26 26 LYS H H 26 8.841 8.841 7.886 0.955 25510 1211 1 3 . 1 1 27 27 TYR N N 27 118.480 118.480 121.233 -2.753 25510 1212 1 3 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.238 -0.082 25510 1213 1 3 . 1 1 27 27 TYR C C 27 178.460 178.460 177.370 1.090 25510 1214 1 3 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.318 0.139 25510 1215 1 3 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.682 -0.935 25510 1216 1 3 . 1 1 27 27 TYR H H 27 7.645 7.645 7.771 -0.126 25510 1217 1 3 . 1 1 28 28 PHE N N 28 117.525 117.525 118.833 -1.308 25510 1218 1 3 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.105 0.141 25510 1219 1 3 . 1 1 28 28 PHE C C 28 178.827 178.827 176.374 2.453 25510 1220 1 3 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.494 0.308 25510 1221 1 3 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.784 0.293 25510 1222 1 3 . 1 1 28 28 PHE H H 28 7.741 7.741 7.770 -0.029 25510 1223 1 3 . 1 1 29 29 ALA N N 29 123.372 123.372 120.151 3.221 25510 1224 1 3 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.221 -0.248 25510 1225 1 3 . 1 1 29 29 ALA C C 29 178.340 178.340 177.953 0.387 25510 1226 1 3 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.696 1.626 25510 1227 1 3 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.209 -2.005 25510 1228 1 3 . 1 1 29 29 ALA H H 29 8.840 8.840 8.022 0.818 25510 1229 1 3 . 1 1 30 30 LEU N N 30 117.039 117.039 119.728 -2.689 25510 1230 1 3 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.908 -0.869 25510 1231 1 3 . 1 1 30 30 LEU C C 30 178.373 178.373 176.793 1.580 25510 1232 1 3 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.380 4.964 25510 1233 1 3 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.317 2.610 25510 1234 1 3 . 1 1 30 30 LEU H H 30 7.443 7.443 7.639 -0.196 25510 1235 1 3 . 1 1 31 31 THR N N 31 125.874 125.874 114.442 11.432 25510 1236 1 3 . 1 1 31 31 THR HA H 31 4.228 4.228 4.140 0.088 25510 1237 1 3 . 1 1 31 31 THR C C 31 176.282 176.282 175.531 0.751 25510 1238 1 3 . 1 1 31 31 THR CA C 31 63.328 63.328 63.184 0.145 25510 1239 1 3 . 1 1 31 31 THR CB C 31 69.170 69.170 69.583 -0.413 25510 1240 1 3 . 1 1 31 31 THR H H 31 7.014 7.014 7.930 -0.916 25510 1241 1 3 . 1 1 32 32 GLU N N 32 120.558 120.558 120.147 0.411 25510 1242 1 3 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.142 0.010 25510 1243 1 3 . 1 1 32 32 GLU C C 32 175.968 175.968 176.559 -0.591 25510 1244 1 3 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.744 0.037 25510 1245 1 3 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.093 1.968 25510 1246 1 3 . 1 1 32 32 GLU H H 32 7.808 7.808 8.632 -0.824 25510 1247 1 3 . 1 1 33 33 PHE N N 33 114.045 114.045 117.909 -3.864 25510 1248 1 3 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.583 -0.113 25510 1249 1 3 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.269 -0.770 25510 1250 1 3 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.033 1.510 25510 1251 1 3 . 1 1 33 33 PHE H H 33 8.390 8.390 7.520 0.870 25510 1252 1 3 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.953 0.317 25510 1253 1 3 . 1 1 34 34 GLN C C 34 174.516 174.516 175.072 -0.556 25510 1254 1 3 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.070 0.084 25510 1255 1 3 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.703 -0.382 25510 1256 1 3 . 1 1 34 34 GLN H H 34 7.968 7.968 8.170 -0.202 25510 1257 1 3 . 1 1 35 35 ILE N N 35 119.653 119.653 122.097 -2.444 25510 1258 1 3 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.892 0.479 25510 1259 1 3 . 1 1 35 35 ILE C C 35 173.592 173.592 176.280 -2.688 25510 1260 1 3 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.602 -2.192 25510 1261 1 3 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.368 3.389 25510 1262 1 3 . 1 1 35 35 ILE H H 35 7.455 7.455 8.188 -0.733 25510 1263 1 3 . 1 1 36 36 ALA N N 36 126.668 126.668 129.295 -2.627 25510 1264 1 3 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.311 -0.043 25510 1265 1 3 . 1 1 36 36 ALA C C 36 178.784 178.784 178.359 0.425 25510 1266 1 3 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.396 -0.214 25510 1267 1 3 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.687 -0.422 25510 1268 1 3 . 1 1 36 36 ALA H H 36 8.238 8.238 8.270 -0.032 25510 1269 1 3 . 1 1 37 37 ARG N N 37 123.068 123.068 122.596 0.472 25510 1270 1 3 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.125 -0.309 25510 1271 1 3 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.376 1.462 25510 1272 1 3 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.300 -0.368 25510 1273 1 3 . 1 1 37 37 ARG H H 37 8.820 8.820 8.817 0.003 25510 1274 1 3 . 1 1 38 38 SER N N 38 112.348 112.348 114.401 -2.053 25510 1275 1 3 . 1 1 38 38 SER HA H 38 4.178 4.178 4.450 -0.272 25510 1276 1 3 . 1 1 38 38 SER C C 38 178.315 178.315 175.750 2.565 25510 1277 1 3 . 1 1 38 38 SER CA C 38 60.772 60.772 60.873 -0.101 25510 1278 1 3 . 1 1 38 38 SER CB C 38 62.061 62.061 62.749 -0.688 25510 1279 1 3 . 1 1 38 38 SER H H 38 8.517 8.517 8.357 0.160 25510 1280 1 3 . 1 1 39 39 THR N N 39 117.311 117.311 116.400 0.911 25510 1281 1 3 . 1 1 39 39 THR HA H 39 4.025 4.025 4.161 -0.136 25510 1282 1 3 . 1 1 39 39 THR C C 39 175.203 175.203 175.779 -0.576 25510 1283 1 3 . 1 1 39 39 THR CA C 39 64.904 64.904 64.194 0.710 25510 1284 1 3 . 1 1 39 39 THR CB C 39 68.726 68.726 68.447 0.279 25510 1285 1 3 . 1 1 39 39 THR H H 39 7.231 7.231 7.723 -0.492 25510 1286 1 3 . 1 1 40 40 LEU N N 40 118.713 118.713 120.425 -1.712 25510 1287 1 3 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.999 0.032 25510 1288 1 3 . 1 1 40 40 LEU C C 40 177.743 177.743 178.149 -0.406 25510 1289 1 3 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.946 -0.883 25510 1290 1 3 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.161 1.133 25510 1291 1 3 . 1 1 40 40 LEU H H 40 7.552 7.552 7.312 0.240 25510 1292 1 3 . 1 1 41 41 ASP N N 41 119.468 119.468 119.084 0.384 25510 1293 1 3 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.459 0.038 25510 1294 1 3 . 1 1 41 41 ASP C C 41 177.111 177.111 177.537 -0.426 25510 1295 1 3 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.851 -0.257 25510 1296 1 3 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.436 -1.482 25510 1297 1 3 . 1 1 41 41 ASP H H 41 8.153 8.153 7.665 0.488 25510 1298 1 3 . 1 1 42 42 VAL N N 42 111.960 111.960 112.103 -0.143 25510 1299 1 3 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.746 -0.418 25510 1300 1 3 . 1 1 42 42 VAL C C 42 175.994 175.994 176.117 -0.123 25510 1301 1 3 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.770 -0.028 25510 1302 1 3 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.261 0.480 25510 1303 1 3 . 1 1 42 42 VAL H H 42 7.293 7.293 7.747 -0.454 25510 1304 1 3 . 1 1 43 43 ALA N N 43 124.575 124.575 124.639 -0.064 25510 1305 1 3 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.937 0.389 25510 1306 1 3 . 1 1 43 43 ALA C C 43 177.972 177.972 178.955 -0.983 25510 1307 1 3 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.732 -2.654 25510 1308 1 3 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.213 1.238 25510 1309 1 3 . 1 1 43 43 ALA H H 43 7.626 7.626 8.027 -0.401 25510 1310 1 3 . 1 1 44 44 ASP N N 44 119.810 119.810 117.195 2.615 25510 1311 1 3 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.262 -0.202 25510 1312 1 3 . 1 1 44 44 ASP C C 44 179.346 179.346 178.107 1.239 25510 1313 1 3 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.903 1.421 25510 1314 1 3 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.094 -8.162 25510 1315 1 3 . 1 1 44 44 ASP H H 44 8.002 8.002 8.846 -0.844 25510 1316 1 3 . 1 1 45 45 ARG N N 45 123.564 123.564 118.619 4.945 25510 1317 1 3 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.286 -0.517 25510 1318 1 3 . 1 1 45 45 ARG C C 45 177.492 177.492 178.667 -1.175 25510 1319 1 3 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.026 2.783 25510 1320 1 3 . 1 1 45 45 ARG CB C 45 33.014 33.014 29.870 3.144 25510 1321 1 3 . 1 1 45 45 ARG H H 45 8.611 8.611 7.559 1.052 25510 1322 1 3 . 1 1 46 46 THR N N 46 118.315 118.315 113.087 5.228 25510 1323 1 3 . 1 1 46 46 THR HA H 46 4.051 4.051 4.241 -0.190 25510 1324 1 3 . 1 1 46 46 THR C C 46 179.947 179.947 176.498 3.449 25510 1325 1 3 . 1 1 46 46 THR CA C 46 59.605 59.605 64.803 -5.198 25510 1326 1 3 . 1 1 46 46 THR CB C 46 32.375 32.375 69.062 -36.688 25510 1327 1 3 . 1 1 46 46 THR H H 46 8.182 8.182 7.673 0.509 25510 1328 1 3 . 1 1 47 47 GLU N N 47 118.691 118.691 121.643 -2.952 25510 1329 1 3 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.200 -0.178 25510 1330 1 3 . 1 1 47 47 GLU C C 47 179.758 179.758 179.050 0.708 25510 1331 1 3 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.551 -0.352 25510 1332 1 3 . 1 1 47 47 GLU H H 47 8.117 8.117 7.700 0.417 25510 1333 1 3 . 1 1 48 48 LEU N N 48 120.020 120.020 120.635 -0.615 25510 1334 1 3 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.901 -0.142 25510 1335 1 3 . 1 1 48 48 LEU C C 48 177.474 177.474 178.983 -1.509 25510 1336 1 3 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.345 0.229 25510 1337 1 3 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.697 -0.095 25510 1338 1 3 . 1 1 48 48 LEU H H 48 8.355 8.355 8.495 -0.140 25510 1339 1 3 . 1 1 49 49 ALA N N 49 120.164 120.164 120.841 -0.677 25510 1340 1 3 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.831 -0.142 25510 1341 1 3 . 1 1 49 49 ALA C C 49 178.552 178.552 179.252 -0.700 25510 1342 1 3 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.362 0.767 25510 1343 1 3 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.855 -0.219 25510 1344 1 3 . 1 1 49 49 ALA H H 49 8.224 8.224 7.942 0.282 25510 1345 1 3 . 1 1 50 50 ASP N N 50 115.824 115.824 117.744 -1.920 25510 1346 1 3 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.347 0.071 25510 1347 1 3 . 1 1 50 50 ASP C C 50 179.108 179.108 177.795 1.313 25510 1348 1 3 . 1 1 50 50 ASP CA C 50 57.921 57.921 56.835 1.086 25510 1349 1 3 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.881 -1.118 25510 1350 1 3 . 1 1 50 50 ASP H H 50 8.041 8.041 7.667 0.374 25510 1351 1 3 . 1 1 51 51 HIS N N 51 117.866 117.866 120.031 -2.165 25510 1352 1 3 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.241 0.224 25510 1353 1 3 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.776 -1.286 25510 1354 1 3 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.180 -2.115 25510 1355 1 3 . 1 1 51 51 HIS H H 51 8.541 8.541 8.018 0.523 25510 1356 1 3 . 1 1 52 52 LEU N N 52 120.279 120.279 118.518 1.761 25510 1357 1 3 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.822 -0.196 25510 1358 1 3 . 1 1 52 52 LEU C C 52 178.488 178.488 178.364 0.124 25510 1359 1 3 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.150 0.230 25510 1360 1 3 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.709 -1.278 25510 1361 1 3 . 1 1 52 52 LEU H H 52 8.529 8.529 8.226 0.303 25510 1362 1 3 . 1 1 53 53 ILE N N 53 119.478 119.478 118.396 1.082 25510 1363 1 3 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.872 -0.433 25510 1364 1 3 . 1 1 53 53 ILE C C 53 178.798 178.798 178.613 0.185 25510 1365 1 3 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.311 0.674 25510 1366 1 3 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.389 0.265 25510 1367 1 3 . 1 1 53 53 ILE H H 53 8.069 8.069 7.395 0.674 25510 1368 1 3 . 1 1 54 54 GLN N N 54 119.904 119.904 116.577 3.327 25510 1369 1 3 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.034 -0.014 25510 1370 1 3 . 1 1 54 54 GLN C C 54 177.668 177.668 177.702 -0.034 25510 1371 1 3 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.694 0.966 25510 1372 1 3 . 1 1 54 54 GLN CB C 54 28.489 28.489 27.906 0.583 25510 1373 1 3 . 1 1 54 54 GLN H H 54 8.382 8.382 7.843 0.539 25510 1374 1 3 . 1 1 55 55 SER N N 55 110.647 110.647 114.572 -3.925 25510 1375 1 3 . 1 1 55 55 SER HA H 55 4.353 4.353 4.359 -0.006 25510 1376 1 3 . 1 1 55 55 SER C C 55 175.910 175.910 174.984 0.926 25510 1377 1 3 . 1 1 55 55 SER CA C 55 61.019 61.019 60.486 0.533 25510 1378 1 3 . 1 1 55 55 SER CB C 55 63.997 63.997 63.607 0.390 25510 1379 1 3 . 1 1 55 55 SER H H 55 7.623 7.623 7.564 0.059 25510 1380 1 3 . 1 1 56 56 ALA N N 56 118.590 118.590 119.698 -1.108 25510 1381 1 3 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.493 0.232 25510 1382 1 3 . 1 1 56 56 ALA C C 56 178.537 178.537 176.239 2.298 25510 1383 1 3 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.319 0.393 25510 1384 1 3 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.044 0.718 25510 1385 1 3 . 1 1 56 56 ALA H H 56 7.908 7.908 7.431 0.477 25510 1386 1 3 . 1 1 57 57 GLY N N 57 109.060 109.060 106.381 2.679 25510 1387 1 3 . 1 1 57 57 GLY C C 57 174.410 174.410 174.044 0.366 25510 1388 1 3 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.192 -0.961 25510 1389 1 3 . 1 1 57 57 GLY H H 57 7.996 7.996 7.365 0.631 25510 1390 1 3 . 1 1 58 58 ALA N N 58 123.460 123.460 123.282 0.178 25510 1391 1 3 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.105 -0.099 25510 1392 1 3 . 1 1 58 58 ALA C C 58 177.285 177.285 179.389 -2.104 25510 1393 1 3 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.766 2.315 25510 1394 1 3 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.919 0.287 25510 1395 1 3 . 1 1 58 58 ALA H H 58 8.710 8.710 8.469 0.241 25510 1396 1 3 . 1 1 59 59 ALA N N 59 118.918 118.918 120.173 -1.255 25510 1397 1 3 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.336 -1.389 25510 1398 1 3 . 1 1 59 59 ALA C C 59 181.017 181.017 179.837 1.180 25510 1399 1 3 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.696 0.697 25510 1400 1 3 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.346 -0.316 25510 1401 1 3 . 1 1 59 59 ALA H H 59 8.272 8.272 8.463 -0.191 25510 1402 1 3 . 1 1 60 60 SER N N 60 112.905 112.905 114.115 -1.210 25510 1403 1 3 . 1 1 60 60 SER HA H 60 4.130 4.130 4.225 -0.095 25510 1404 1 3 . 1 1 60 60 SER C C 60 176.246 176.246 176.422 -0.176 25510 1405 1 3 . 1 1 60 60 SER CA C 60 60.601 60.601 61.401 -0.799 25510 1406 1 3 . 1 1 60 60 SER CB C 60 62.796 62.796 63.064 -0.268 25510 1407 1 3 . 1 1 60 60 SER H H 60 8.218 8.218 8.378 -0.160 25510 1408 1 3 . 1 1 61 61 ALA N N 61 121.207 121.207 123.834 -2.627 25510 1409 1 3 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.088 0.068 25510 1410 1 3 . 1 1 61 61 ALA C C 61 179.639 179.639 179.342 0.297 25510 1411 1 3 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.788 0.867 25510 1412 1 3 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.587 -0.037 25510 1413 1 3 . 1 1 61 61 ALA H H 61 8.583 8.583 7.439 1.144 25510 1414 1 3 . 1 1 62 62 VAL N N 62 116.024 116.024 117.538 -1.514 25510 1415 1 3 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.567 0.106 25510 1416 1 3 . 1 1 62 62 VAL C C 62 177.567 177.567 177.953 -0.386 25510 1417 1 3 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.184 1.719 25510 1418 1 3 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.684 -0.131 25510 1419 1 3 . 1 1 62 62 VAL H H 62 7.517 7.517 7.746 -0.229 25510 1420 1 3 . 1 1 63 63 THR N N 63 117.797 117.797 112.883 4.914 25510 1421 1 3 . 1 1 63 63 THR HA H 63 4.318 4.318 4.235 0.083 25510 1422 1 3 . 1 1 63 63 THR C C 63 176.800 176.800 176.574 0.226 25510 1423 1 3 . 1 1 63 63 THR CA C 63 68.590 68.590 65.239 3.351 25510 1424 1 3 . 1 1 63 63 THR CB C 63 67.818 67.818 68.913 -1.095 25510 1425 1 3 . 1 1 63 63 THR H H 63 8.007 8.007 7.674 0.333 25510 1426 1 3 . 1 1 64 64 LYS N N 64 121.300 121.300 122.054 -0.754 25510 1427 1 3 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.244 -0.347 25510 1428 1 3 . 1 1 64 64 LYS C C 64 178.721 178.721 178.442 0.279 25510 1429 1 3 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.427 1.515 25510 1430 1 3 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.137 3.101 25510 1431 1 3 . 1 1 64 64 LYS H H 64 8.771 8.771 7.579 1.192 25510 1432 1 3 . 1 1 65 65 ALA N N 65 121.115 121.115 122.478 -1.363 25510 1433 1 3 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.246 -0.194 25510 1434 1 3 . 1 1 65 65 ALA C C 65 178.759 178.759 179.457 -0.698 25510 1435 1 3 . 1 1 65 65 ALA CA C 65 56.050 56.050 54.955 1.095 25510 1436 1 3 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.234 0.010 25510 1437 1 3 . 1 1 65 65 ALA H H 65 8.598 8.598 8.252 0.346 25510 1438 1 3 . 1 1 66 66 ILE N N 66 118.735 118.735 118.002 0.733 25510 1439 1 3 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.825 -0.176 25510 1440 1 3 . 1 1 66 66 ILE C C 66 177.252 177.252 177.927 -0.675 25510 1441 1 3 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.996 3.963 25510 1442 1 3 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.155 0.894 25510 1443 1 3 . 1 1 66 66 ILE H H 66 8.657 8.657 7.796 0.860 25510 1444 1 3 . 1 1 67 67 ASN N N 67 117.463 117.463 118.401 -0.938 25510 1445 1 3 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.765 -0.358 25510 1446 1 3 . 1 1 67 67 ASN C C 67 178.095 178.095 178.194 -0.099 25510 1447 1 3 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.845 -0.276 25510 1448 1 3 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.392 -0.011 25510 1449 1 3 . 1 1 67 67 ASN H H 67 7.525 7.525 7.731 -0.206 25510 1450 1 3 . 1 1 68 68 ILE N N 68 120.886 120.886 120.838 0.048 25510 1451 1 3 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.753 -0.507 25510 1452 1 3 . 1 1 68 68 ILE C C 68 177.540 177.540 177.582 -0.042 25510 1453 1 3 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.101 1.115 25510 1454 1 3 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.259 -0.843 25510 1455 1 3 . 1 1 68 68 ILE H H 68 8.170 8.170 7.569 0.601 25510 1456 1 3 . 1 1 69 69 PHE N N 69 117.836 117.836 119.768 -1.932 25510 1457 1 3 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.286 0.112 25510 1458 1 3 . 1 1 69 69 PHE C C 69 178.279 178.279 177.188 1.091 25510 1459 1 3 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.724 1.113 25510 1460 1 3 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.486 -1.492 25510 1461 1 3 . 1 1 69 69 PHE H H 69 8.963 8.963 8.436 0.527 25510 1462 1 3 . 1 1 70 70 GLN N N 70 118.145 118.145 118.511 -0.366 25510 1463 1 3 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.754 0.388 25510 1464 1 3 . 1 1 70 70 GLN C C 70 180.057 180.057 177.792 2.265 25510 1465 1 3 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.487 1.299 25510 1466 1 3 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.290 -0.617 25510 1467 1 3 . 1 1 70 70 GLN H H 70 8.480 8.480 8.315 0.165 25510 1468 1 3 . 1 1 71 71 LYS N N 71 123.368 123.368 119.319 4.049 25510 1469 1 3 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.059 -0.134 25510 1470 1 3 . 1 1 71 71 LYS C C 71 178.755 178.755 177.470 1.285 25510 1471 1 3 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.433 1.069 25510 1472 1 3 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.268 -0.240 25510 1473 1 3 . 1 1 71 71 LYS H H 71 8.099 8.099 7.490 0.609 25510 1474 1 3 . 1 1 72 72 LEU N N 72 117.830 117.830 117.341 0.489 25510 1475 1 3 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.129 -0.137 25510 1476 1 3 . 1 1 72 72 LEU C C 72 175.462 175.462 177.484 -2.022 25510 1477 1 3 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.183 -1.114 25510 1478 1 3 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.257 -0.102 25510 1479 1 3 . 1 1 72 72 LEU H H 72 7.866 7.866 7.109 0.757 25510 1480 1 3 . 1 1 73 73 ASN N N 73 113.996 113.996 113.698 0.298 25510 1481 1 3 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.535 -0.196 25510 1482 1 3 . 1 1 73 73 ASN C C 73 175.753 175.753 174.797 0.956 25510 1483 1 3 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.635 0.839 25510 1484 1 3 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.178 -3.699 25510 1485 1 3 . 1 1 73 73 ASN H H 73 8.026 8.026 7.499 0.527 25510 1486 1 3 . 1 1 74 74 TYR N N 74 122.244 122.244 118.968 3.276 25510 1487 1 3 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.906 0.371 25510 1488 1 3 . 1 1 74 74 TYR C C 74 177.548 177.548 175.240 2.308 25510 1489 1 3 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.767 -2.708 25510 1490 1 3 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.108 -2.732 25510 1491 1 3 . 1 1 74 74 TYR H H 74 8.613 8.613 7.168 1.445 25510 1492 1 3 . 1 1 75 75 MET N N 75 117.619 117.619 119.916 -2.297 25510 1493 1 3 . 1 1 75 75 MET HA H 75 4.275 4.275 4.064 0.211 25510 1494 1 3 . 1 1 75 75 MET C C 75 178.716 178.716 175.919 2.797 25510 1495 1 3 . 1 1 75 75 MET CA C 75 57.231 57.231 58.918 -1.687 25510 1496 1 3 . 1 1 75 75 MET CB C 75 30.304 30.304 32.133 -1.829 25510 1497 1 3 . 1 1 75 75 MET H H 75 7.722 7.722 8.042 -0.320 25510 1498 1 3 . 1 1 76 76 HIS N N 76 117.559 117.559 119.275 -1.716 25510 1499 1 3 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.467 -0.000 25510 1500 1 3 . 1 1 76 76 HIS CA C 76 58.997 58.997 58.852 0.145 25510 1501 1 3 . 1 1 76 76 HIS CB C 76 27.437 27.437 30.277 -2.840 25510 1502 1 3 . 1 1 76 76 HIS H H 76 8.865 8.865 7.900 0.965 25510 1503 1 3 . 1 1 77 77 ILE N N 77 119.750 119.750 120.278 -0.528 25510 1504 1 3 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.702 -0.118 25510 1505 1 3 . 1 1 77 77 ILE C C 77 177.168 177.168 177.266 -0.098 25510 1506 1 3 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.485 0.719 25510 1507 1 3 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.933 -0.133 25510 1508 1 3 . 1 1 77 77 ILE H H 77 7.356 7.356 7.667 -0.311 25510 1509 1 3 . 1 1 78 78 ALA N N 78 120.662 120.662 121.320 -0.658 25510 1510 1 3 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.921 0.009 25510 1511 1 3 . 1 1 78 78 ALA C C 78 178.936 178.936 178.748 0.188 25510 1512 1 3 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.335 1.086 25510 1513 1 3 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.226 0.761 25510 1514 1 3 . 1 1 78 78 ALA H H 78 8.054 8.054 7.979 0.075 25510 1515 1 3 . 1 1 79 79 ASN N N 79 114.176 114.176 116.988 -2.812 25510 1516 1 3 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.499 -0.055 25510 1517 1 3 . 1 1 79 79 ASN C C 79 177.625 177.625 176.848 0.777 25510 1518 1 3 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.937 0.114 25510 1519 1 3 . 1 1 79 79 ASN CB C 79 38.224 38.224 37.887 0.337 25510 1520 1 3 . 1 1 79 79 ASN H H 79 8.531 8.531 7.879 0.652 25510 1521 1 3 . 1 1 80 80 ALA N N 80 123.670 123.670 120.785 2.885 25510 1522 1 3 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.436 -0.308 25510 1523 1 3 . 1 1 80 80 ALA C C 80 180.727 180.727 180.010 0.717 25510 1524 1 3 . 1 1 80 80 ALA CA C 80 55.162 55.162 53.922 1.240 25510 1525 1 3 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.725 -0.463 25510 1526 1 3 . 1 1 80 80 ALA H H 80 7.822 7.822 7.357 0.465 25510 1527 1 3 . 1 1 81 81 LEU N N 81 120.065 120.065 120.560 -0.495 25510 1528 1 3 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.993 -0.001 25510 1529 1 3 . 1 1 81 81 LEU C C 81 177.550 177.550 178.533 -0.983 25510 1530 1 3 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.546 0.327 25510 1531 1 3 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.874 0.465 25510 1532 1 3 . 1 1 81 81 LEU H H 81 8.526 8.526 7.481 1.045 25510 1533 1 3 . 1 1 82 82 GLU N N 82 119.844 119.844 118.405 1.439 25510 1534 1 3 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.970 0.024 25510 1535 1 3 . 1 1 82 82 GLU C C 82 178.510 178.510 178.623 -0.113 25510 1536 1 3 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.168 0.503 25510 1537 1 3 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.783 0.021 25510 1538 1 3 . 1 1 82 82 GLU H H 82 8.429 8.429 8.136 0.292 25510 1539 1 3 . 1 1 83 83 GLU N N 83 118.585 118.585 120.480 -1.895 25510 1540 1 3 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.088 -0.034 25510 1541 1 3 . 1 1 83 83 GLU C C 83 179.516 179.516 178.817 0.699 25510 1542 1 3 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.704 1.200 25510 1543 1 3 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.983 -0.024 25510 1544 1 3 . 1 1 83 83 GLU H H 83 8.138 8.138 7.810 0.328 25510 1545 1 3 . 1 1 84 84 LYS N N 84 119.135 119.135 119.868 -0.733 25510 1546 1 3 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.039 0.081 25510 1547 1 3 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.526 1.182 25510 1548 1 3 . 1 1 84 84 LYS H H 84 8.690 8.690 7.842 0.848 25510 1549 1 3 . 1 1 85 85 LYS N N 85 118.012 118.012 118.644 -0.632 25510 1550 1 3 . 1 1 85 85 LYS HA H 85 4.457 4.457 3.968 0.489 25510 1551 1 3 . 1 1 85 85 LYS H H 85 8.109 8.109 7.759 0.350 25510 1552 1 3 . 1 1 86 86 LYS N N 86 119.839 119.839 117.950 1.889 25510 1553 1 3 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.120 -0.202 25510 1554 1 3 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.837 4.461 25510 1555 1 3 . 1 1 86 86 LYS H H 86 8.577 8.577 7.808 0.769 25510 1556 1 3 . 1 1 87 87 GLU N N 87 119.674 119.674 118.264 1.410 25510 1557 1 3 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.153 -0.162 25510 1558 1 3 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.274 0.965 25510 1559 1 3 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.400 -0.288 25510 1560 1 3 . 1 1 87 87 GLU H H 87 8.402 8.402 7.656 0.746 25510 1561 1 3 . 1 1 88 88 ALA N N 88 121.869 121.869 122.487 -0.618 25510 1562 1 3 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.859 0.223 25510 1563 1 3 . 1 1 88 88 ALA C C 88 179.999 179.999 179.157 0.842 25510 1564 1 3 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.564 0.374 25510 1565 1 3 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.567 0.850 25510 1566 1 3 . 1 1 88 88 ALA H H 88 8.043 8.043 7.649 0.394 25510 1567 1 3 . 1 1 89 89 GLU N N 89 115.931 115.931 117.803 -1.872 25510 1568 1 3 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.836 0.168 25510 1569 1 3 . 1 1 89 89 GLU C C 89 178.454 178.454 179.578 -1.124 25510 1570 1 3 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.237 -0.843 25510 1571 1 3 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.295 -0.151 25510 1572 1 3 . 1 1 89 89 GLU H H 89 8.058 8.058 7.834 0.224 25510 1573 1 3 . 1 1 90 90 ARG N N 90 119.607 119.607 117.265 2.342 25510 1574 1 3 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.186 -0.003 25510 1575 1 3 . 1 1 90 90 ARG C C 90 177.870 177.870 178.453 -0.583 25510 1576 1 3 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.314 -0.049 25510 1577 1 3 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.840 0.409 25510 1578 1 3 . 1 1 90 90 ARG H H 90 7.791 7.791 7.766 0.025 25510 1579 1 3 . 1 1 91 91 LYS N N 91 118.638 118.638 119.024 -0.386 25510 1580 1 3 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.134 0.063 25510 1581 1 3 . 1 1 91 91 LYS C C 91 177.087 177.087 176.688 0.399 25510 1582 1 3 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.027 -0.421 25510 1583 1 3 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.287 0.333 25510 1584 1 3 . 1 1 91 91 LYS H H 91 7.709 7.709 7.677 0.032 25510 1585 1 3 . 1 1 92 92 LEU N N 92 119.640 119.640 117.842 1.798 25510 1586 1 3 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.374 -0.045 25510 1587 1 3 . 1 1 92 92 LEU C C 92 177.464 177.464 177.231 0.233 25510 1588 1 3 . 1 1 92 92 LEU CA C 92 55.618 55.618 54.340 1.278 25510 1589 1 3 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.113 0.242 25510 1590 1 3 . 1 1 92 92 LEU H H 92 7.766 7.766 7.221 0.545 25510 1591 1 3 . 1 1 93 93 MET N N 93 119.121 119.121 116.485 2.636 25510 1592 1 3 . 1 1 93 93 MET HA H 93 4.570 4.570 4.565 0.005 25510 1593 1 3 . 1 1 93 93 MET C C 93 176.224 176.224 176.573 -0.349 25510 1594 1 3 . 1 1 93 93 MET CA C 93 55.648 55.648 54.348 1.300 25510 1595 1 3 . 1 1 93 93 MET CB C 93 32.978 32.978 33.468 -0.490 25510 1596 1 3 . 1 1 93 93 MET H H 93 7.973 7.973 7.401 0.572 25510 1597 1 3 . 1 1 94 94 THR N N 94 114.125 114.125 115.691 -1.566 25510 1598 1 3 . 1 1 94 94 THR HA H 94 4.375 4.375 4.253 0.122 25510 1599 1 3 . 1 1 94 94 THR C C 94 173.550 173.550 174.666 -1.116 25510 1600 1 3 . 1 1 94 94 THR CA C 94 61.682 61.682 62.206 -0.524 25510 1601 1 3 . 1 1 94 94 THR CB C 94 70.027 70.027 69.467 0.560 25510 1602 1 3 . 1 1 94 94 THR H H 94 8.025 8.025 7.840 0.185 25510 1603 1 4 . 1 1 2 2 GLU N N 2 119.768 119.768 122.674 -2.906 25510 1604 1 4 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.102 -0.082 25510 1605 1 4 . 1 1 2 2 GLU C C 2 178.535 178.535 178.420 0.115 25510 1606 1 4 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.490 1.259 25510 1607 1 4 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.305 -0.198 25510 1608 1 4 . 1 1 2 2 GLU H H 2 8.426 8.426 8.807 -0.381 25510 1609 1 4 . 1 1 3 3 SER N N 3 113.553 113.553 113.849 -0.296 25510 1610 1 4 . 1 1 3 3 SER HA H 3 4.235 4.235 4.236 -0.001 25510 1611 1 4 . 1 1 3 3 SER C C 3 176.578 176.578 176.676 -0.098 25510 1612 1 4 . 1 1 3 3 SER CA C 3 61.448 61.448 61.318 0.130 25510 1613 1 4 . 1 1 3 3 SER CB C 3 62.746 62.746 62.501 0.245 25510 1614 1 4 . 1 1 3 3 SER H H 3 8.151 8.151 8.429 -0.278 25510 1615 1 4 . 1 1 4 4 GLU N N 4 122.599 122.599 121.163 1.436 25510 1616 1 4 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.134 -0.057 25510 1617 1 4 . 1 1 4 4 GLU CA C 4 59.416 59.416 59.109 0.307 25510 1618 1 4 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.441 -1.180 25510 1619 1 4 . 1 1 4 4 GLU H H 4 8.051 8.051 7.916 0.135 25510 1620 1 4 . 1 1 5 5 TYR N N 5 119.991 119.991 120.875 -0.884 25510 1621 1 4 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.197 0.275 25510 1622 1 4 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.262 -0.349 25510 1623 1 4 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.679 -0.727 25510 1624 1 4 . 1 1 5 5 TYR H H 5 8.339 8.339 7.906 0.433 25510 1625 1 4 . 1 1 6 6 ARG N N 6 120.010 120.010 118.345 1.665 25510 1626 1 4 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.829 -0.070 25510 1627 1 4 . 1 1 6 6 ARG C C 6 177.365 177.365 178.033 -0.668 25510 1628 1 4 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.183 1.478 25510 1629 1 4 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.659 0.679 25510 1630 1 4 . 1 1 6 6 ARG H H 6 8.202 8.202 8.248 -0.046 25510 1631 1 4 . 1 1 7 7 GLU N N 7 116.287 116.287 120.860 -4.573 25510 1632 1 4 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.996 0.054 25510 1633 1 4 . 1 1 7 7 GLU C C 7 178.544 178.544 178.568 -0.024 25510 1634 1 4 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.184 0.230 25510 1635 1 4 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.644 -0.621 25510 1636 1 4 . 1 1 7 7 GLU H H 7 8.165 8.165 8.081 0.084 25510 1637 1 4 . 1 1 8 8 MET N N 8 116.181 116.181 118.950 -2.769 25510 1638 1 4 . 1 1 8 8 MET HA H 8 4.411 4.411 4.178 0.233 25510 1639 1 4 . 1 1 8 8 MET C C 8 177.616 177.616 178.096 -0.480 25510 1640 1 4 . 1 1 8 8 MET CA C 8 59.067 59.067 57.846 1.221 25510 1641 1 4 . 1 1 8 8 MET CB C 8 32.089 32.089 32.293 -0.204 25510 1642 1 4 . 1 1 8 8 MET H H 8 8.168 8.168 7.764 0.404 25510 1643 1 4 . 1 1 9 9 LEU N N 9 122.056 122.056 119.980 2.076 25510 1644 1 4 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.971 0.010 25510 1645 1 4 . 1 1 9 9 LEU C C 9 177.211 177.211 178.773 -1.562 25510 1646 1 4 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.634 0.867 25510 1647 1 4 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.258 1.040 25510 1648 1 4 . 1 1 9 9 LEU H H 9 7.883 7.883 7.412 0.471 25510 1649 1 4 . 1 1 10 10 LEU N N 10 117.952 117.952 118.566 -0.614 25510 1650 1 4 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.887 0.067 25510 1651 1 4 . 1 1 10 10 LEU C C 10 176.132 176.132 179.327 -3.195 25510 1652 1 4 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.232 1.160 25510 1653 1 4 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.083 2.649 25510 1654 1 4 . 1 1 10 10 LEU H H 10 8.011 8.011 7.637 0.374 25510 1655 1 4 . 1 1 11 11 LEU N N 11 116.301 116.301 118.112 -1.811 25510 1656 1 4 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.224 -0.074 25510 1657 1 4 . 1 1 11 11 LEU C C 11 179.384 179.384 178.917 0.467 25510 1658 1 4 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.779 0.161 25510 1659 1 4 . 1 1 11 11 LEU CB C 11 41.667 41.667 41.188 0.479 25510 1660 1 4 . 1 1 11 11 LEU H H 11 8.916 8.916 8.266 0.650 25510 1661 1 4 . 1 1 12 12 THR N N 12 112.429 112.429 111.037 1.392 25510 1662 1 4 . 1 1 12 12 THR HA H 12 4.148 4.148 4.038 0.110 25510 1663 1 4 . 1 1 12 12 THR C C 12 174.055 174.055 175.384 -1.329 25510 1664 1 4 . 1 1 12 12 THR CA C 12 65.127 65.127 64.654 0.473 25510 1665 1 4 . 1 1 12 12 THR CB C 12 68.421 68.421 68.213 0.208 25510 1666 1 4 . 1 1 12 12 THR H H 12 7.753 7.753 8.006 -0.253 25510 1667 1 4 . 1 1 13 13 GLY N N 13 124.320 124.320 108.851 15.469 25510 1668 1 4 . 1 1 13 13 GLY C C 13 173.259 173.259 175.344 -2.085 25510 1669 1 4 . 1 1 13 13 GLY CA C 13 46.434 46.434 44.935 1.499 25510 1670 1 4 . 1 1 13 13 GLY H H 13 7.019 7.019 7.811 -0.792 25510 1671 1 4 . 1 1 14 14 LEU N N 14 121.922 121.922 121.163 0.759 25510 1672 1 4 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.249 -0.333 25510 1673 1 4 . 1 1 14 14 LEU C C 14 178.842 178.842 178.006 0.836 25510 1674 1 4 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.383 0.667 25510 1675 1 4 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.412 0.414 25510 1676 1 4 . 1 1 14 14 LEU H H 14 8.941 8.941 7.735 1.206 25510 1677 1 4 . 1 1 15 15 ASP N N 15 115.417 115.417 115.644 -0.227 25510 1678 1 4 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.628 -0.129 25510 1679 1 4 . 1 1 15 15 ASP C C 15 175.905 175.905 176.415 -0.510 25510 1680 1 4 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.714 -0.909 25510 1681 1 4 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.858 -3.032 25510 1682 1 4 . 1 1 15 15 ASP H H 15 9.012 9.012 7.854 1.158 25510 1683 1 4 . 1 1 16 16 HIS N N 16 114.840 114.840 118.148 -3.308 25510 1684 1 4 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.697 0.037 25510 1685 1 4 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.929 -1.357 25510 1686 1 4 . 1 1 16 16 HIS CB C 16 29.222 29.222 32.218 -2.996 25510 1687 1 4 . 1 1 16 16 HIS H H 16 7.807 7.807 7.471 0.336 25510 1688 1 4 . 1 1 17 17 ILE N N 17 111.347 111.347 115.574 -4.227 25510 1689 1 4 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.582 0.379 25510 1690 1 4 . 1 1 17 17 ILE C C 17 176.154 176.154 176.071 0.083 25510 1691 1 4 . 1 1 17 17 ILE CA C 17 59.512 59.512 60.325 -0.813 25510 1692 1 4 . 1 1 17 17 ILE CB C 17 39.674 39.674 39.968 -0.294 25510 1693 1 4 . 1 1 17 17 ILE H H 17 7.041 7.041 7.603 -0.562 25510 1694 1 4 . 1 1 18 18 THR N N 18 114.804 114.804 112.667 2.137 25510 1695 1 4 . 1 1 18 18 THR HA H 18 4.384 4.384 4.389 -0.005 25510 1696 1 4 . 1 1 18 18 THR C C 18 174.991 174.991 176.043 -1.052 25510 1697 1 4 . 1 1 18 18 THR CA C 18 61.063 61.063 60.886 0.177 25510 1698 1 4 . 1 1 18 18 THR CB C 18 71.227 71.227 70.479 0.748 25510 1699 1 4 . 1 1 18 18 THR H H 18 8.672 8.672 8.578 0.094 25510 1700 1 4 . 1 1 19 19 GLU N N 19 119.385 119.385 121.569 -2.184 25510 1701 1 4 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.022 0.010 25510 1702 1 4 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.319 -0.447 25510 1703 1 4 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.056 -0.105 25510 1704 1 4 . 1 1 19 19 GLU H H 19 8.886 8.886 8.902 -0.016 25510 1705 1 4 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.111 -0.021 25510 1706 1 4 . 1 1 20 20 GLU C C 20 179.664 179.664 179.405 0.259 25510 1707 1 4 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.048 0.547 25510 1708 1 4 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.869 0.174 25510 1709 1 4 . 1 1 21 21 GLU N N 21 120.346 120.346 120.532 -0.186 25510 1710 1 4 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.208 0.062 25510 1711 1 4 . 1 1 21 21 GLU C C 21 179.079 179.079 178.756 0.323 25510 1712 1 4 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.269 0.249 25510 1713 1 4 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.483 0.402 25510 1714 1 4 . 1 1 21 21 GLU H H 21 7.611 7.611 7.581 0.030 25510 1715 1 4 . 1 1 22 22 LEU N N 22 122.508 122.508 120.201 2.307 25510 1716 1 4 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.049 0.083 25510 1717 1 4 . 1 1 22 22 LEU C C 22 178.698 178.698 178.849 -0.151 25510 1718 1 4 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.331 -0.470 25510 1719 1 4 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.661 0.059 25510 1720 1 4 . 1 1 22 22 LEU H H 22 9.016 9.016 7.876 1.140 25510 1721 1 4 . 1 1 23 23 LYS N N 23 119.162 119.162 117.128 2.034 25510 1722 1 4 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.115 -0.129 25510 1723 1 4 . 1 1 23 23 LYS C C 23 179.624 179.624 178.852 0.772 25510 1724 1 4 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.280 1.411 25510 1725 1 4 . 1 1 23 23 LYS CB C 23 32.394 32.394 31.896 0.498 25510 1726 1 4 . 1 1 23 23 LYS H H 23 7.777 7.777 7.661 0.116 25510 1727 1 4 . 1 1 24 24 ARG N N 24 119.502 119.502 120.189 -0.687 25510 1728 1 4 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.117 0.084 25510 1729 1 4 . 1 1 24 24 ARG C C 24 178.260 178.260 179.164 -0.904 25510 1730 1 4 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.205 0.027 25510 1731 1 4 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.130 -0.336 25510 1732 1 4 . 1 1 24 24 ARG H H 24 7.397 7.397 7.465 -0.068 25510 1733 1 4 . 1 1 25 25 PHE N N 25 120.567 120.567 120.551 0.016 25510 1734 1 4 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.446 -0.578 25510 1735 1 4 . 1 1 25 25 PHE C C 25 177.302 177.302 176.924 0.378 25510 1736 1 4 . 1 1 25 25 PHE CA C 25 62.181 62.181 60.390 1.791 25510 1737 1 4 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.253 0.290 25510 1738 1 4 . 1 1 25 25 PHE H H 25 8.798 8.798 8.334 0.464 25510 1739 1 4 . 1 1 26 26 LYS N N 26 117.901 117.901 120.268 -2.367 25510 1740 1 4 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.712 -0.038 25510 1741 1 4 . 1 1 26 26 LYS C C 26 177.118 177.118 178.779 -1.661 25510 1742 1 4 . 1 1 26 26 LYS CA C 26 60.962 60.962 58.966 1.996 25510 1743 1 4 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.995 1.044 25510 1744 1 4 . 1 1 26 26 LYS H H 26 8.841 8.841 8.037 0.804 25510 1745 1 4 . 1 1 27 27 TYR N N 27 118.480 118.480 119.922 -1.442 25510 1746 1 4 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.286 -0.130 25510 1747 1 4 . 1 1 27 27 TYR C C 27 178.460 178.460 177.122 1.338 25510 1748 1 4 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.105 0.353 25510 1749 1 4 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.629 -0.882 25510 1750 1 4 . 1 1 27 27 TYR H H 27 7.645 7.645 8.179 -0.534 25510 1751 1 4 . 1 1 28 28 PHE N N 28 117.525 117.525 118.417 -0.892 25510 1752 1 4 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.092 0.154 25510 1753 1 4 . 1 1 28 28 PHE C C 28 178.827 178.827 176.235 2.592 25510 1754 1 4 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.291 0.511 25510 1755 1 4 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.553 0.524 25510 1756 1 4 . 1 1 28 28 PHE H H 28 7.741 7.741 7.427 0.314 25510 1757 1 4 . 1 1 29 29 ALA N N 29 123.372 123.372 120.224 3.148 25510 1758 1 4 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.216 -0.243 25510 1759 1 4 . 1 1 29 29 ALA C C 29 178.340 178.340 178.130 0.210 25510 1760 1 4 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.814 1.508 25510 1761 1 4 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.186 -1.982 25510 1762 1 4 . 1 1 29 29 ALA H H 29 8.840 8.840 7.908 0.932 25510 1763 1 4 . 1 1 30 30 LEU N N 30 117.039 117.039 119.974 -2.935 25510 1764 1 4 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.831 -0.792 25510 1765 1 4 . 1 1 30 30 LEU C C 30 178.373 178.373 176.585 1.788 25510 1766 1 4 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.272 5.072 25510 1767 1 4 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.359 2.568 25510 1768 1 4 . 1 1 30 30 LEU H H 30 7.443 7.443 7.696 -0.253 25510 1769 1 4 . 1 1 31 31 THR N N 31 125.874 125.874 114.352 11.522 25510 1770 1 4 . 1 1 31 31 THR HA H 31 4.228 4.228 3.998 0.230 25510 1771 1 4 . 1 1 31 31 THR C C 31 176.282 176.282 175.525 0.757 25510 1772 1 4 . 1 1 31 31 THR CA C 31 63.328 63.328 63.501 -0.173 25510 1773 1 4 . 1 1 31 31 THR CB C 31 69.170 69.170 69.341 -0.171 25510 1774 1 4 . 1 1 31 31 THR H H 31 7.014 7.014 7.840 -0.826 25510 1775 1 4 . 1 1 32 32 GLU N N 32 120.558 120.558 120.293 0.265 25510 1776 1 4 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.114 0.038 25510 1777 1 4 . 1 1 32 32 GLU C C 32 175.968 175.968 176.665 -0.697 25510 1778 1 4 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.071 0.710 25510 1779 1 4 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.113 1.948 25510 1780 1 4 . 1 1 32 32 GLU H H 32 7.808 7.808 8.332 -0.524 25510 1781 1 4 . 1 1 33 33 PHE N N 33 114.045 114.045 117.222 -3.177 25510 1782 1 4 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.531 -0.061 25510 1783 1 4 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.683 -1.185 25510 1784 1 4 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.030 1.513 25510 1785 1 4 . 1 1 33 33 PHE H H 33 8.390 8.390 7.402 0.988 25510 1786 1 4 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.933 0.337 25510 1787 1 4 . 1 1 34 34 GLN C C 34 174.516 174.516 175.010 -0.494 25510 1788 1 4 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.105 0.049 25510 1789 1 4 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.733 -0.412 25510 1790 1 4 . 1 1 34 34 GLN H H 34 7.968 7.968 8.080 -0.112 25510 1791 1 4 . 1 1 35 35 ILE N N 35 119.653 119.653 120.903 -1.250 25510 1792 1 4 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.880 0.491 25510 1793 1 4 . 1 1 35 35 ILE C C 35 173.592 173.592 176.255 -2.663 25510 1794 1 4 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.590 -2.180 25510 1795 1 4 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.173 3.584 25510 1796 1 4 . 1 1 35 35 ILE H H 35 7.455 7.455 8.142 -0.687 25510 1797 1 4 . 1 1 36 36 ALA N N 36 126.668 126.668 129.480 -2.812 25510 1798 1 4 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.259 0.009 25510 1799 1 4 . 1 1 36 36 ALA C C 36 178.784 178.784 178.333 0.451 25510 1800 1 4 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.866 -0.684 25510 1801 1 4 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.609 -0.344 25510 1802 1 4 . 1 1 36 36 ALA H H 36 8.238 8.238 8.490 -0.252 25510 1803 1 4 . 1 1 37 37 ARG N N 37 123.068 123.068 122.558 0.510 25510 1804 1 4 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.031 -0.215 25510 1805 1 4 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.749 1.089 25510 1806 1 4 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.953 -0.021 25510 1807 1 4 . 1 1 37 37 ARG H H 37 8.820 8.820 8.733 0.087 25510 1808 1 4 . 1 1 38 38 SER N N 38 112.348 112.348 115.918 -3.570 25510 1809 1 4 . 1 1 38 38 SER HA H 38 4.178 4.178 4.313 -0.135 25510 1810 1 4 . 1 1 38 38 SER C C 38 178.315 178.315 176.376 1.939 25510 1811 1 4 . 1 1 38 38 SER CA C 38 60.772 60.772 61.025 -0.253 25510 1812 1 4 . 1 1 38 38 SER CB C 38 62.061 62.061 62.477 -0.416 25510 1813 1 4 . 1 1 38 38 SER H H 38 8.517 8.517 8.499 0.018 25510 1814 1 4 . 1 1 39 39 THR N N 39 117.311 117.311 119.822 -2.511 25510 1815 1 4 . 1 1 39 39 THR HA H 39 4.025 4.025 4.044 -0.019 25510 1816 1 4 . 1 1 39 39 THR C C 39 175.203 175.203 175.476 -0.273 25510 1817 1 4 . 1 1 39 39 THR CA C 39 64.904 64.904 65.434 -0.530 25510 1818 1 4 . 1 1 39 39 THR CB C 39 68.726 68.726 68.468 0.258 25510 1819 1 4 . 1 1 39 39 THR H H 39 7.231 7.231 7.417 -0.186 25510 1820 1 4 . 1 1 40 40 LEU N N 40 118.713 118.713 120.442 -1.729 25510 1821 1 4 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.995 0.036 25510 1822 1 4 . 1 1 40 40 LEU C C 40 177.743 177.743 177.837 -0.094 25510 1823 1 4 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.584 -0.520 25510 1824 1 4 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.429 0.865 25510 1825 1 4 . 1 1 40 40 LEU H H 40 7.552 7.552 7.588 -0.036 25510 1826 1 4 . 1 1 41 41 ASP N N 41 119.468 119.468 118.715 0.753 25510 1827 1 4 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.415 0.082 25510 1828 1 4 . 1 1 41 41 ASP C C 41 177.111 177.111 177.520 -0.409 25510 1829 1 4 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.707 -0.113 25510 1830 1 4 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.545 -1.591 25510 1831 1 4 . 1 1 41 41 ASP H H 41 8.153 8.153 7.818 0.335 25510 1832 1 4 . 1 1 42 42 VAL N N 42 111.960 111.960 109.475 2.485 25510 1833 1 4 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.639 -0.311 25510 1834 1 4 . 1 1 42 42 VAL C C 42 175.994 175.994 175.782 0.212 25510 1835 1 4 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.642 -0.900 25510 1836 1 4 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.990 -0.249 25510 1837 1 4 . 1 1 42 42 VAL H H 42 7.293 7.293 7.584 -0.291 25510 1838 1 4 . 1 1 43 43 ALA N N 43 124.575 124.575 124.498 0.077 25510 1839 1 4 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.912 0.414 25510 1840 1 4 . 1 1 43 43 ALA C C 43 177.972 177.972 178.977 -1.005 25510 1841 1 4 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.965 -2.887 25510 1842 1 4 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.189 1.262 25510 1843 1 4 . 1 1 43 43 ALA H H 43 7.626 7.626 8.093 -0.467 25510 1844 1 4 . 1 1 44 44 ASP N N 44 119.810 119.810 117.334 2.476 25510 1845 1 4 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.301 -0.241 25510 1846 1 4 . 1 1 44 44 ASP C C 44 179.346 179.346 177.564 1.782 25510 1847 1 4 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.741 1.583 25510 1848 1 4 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.077 -8.145 25510 1849 1 4 . 1 1 44 44 ASP H H 44 8.002 8.002 8.882 -0.880 25510 1850 1 4 . 1 1 45 45 ARG N N 45 123.564 123.564 118.481 5.083 25510 1851 1 4 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.311 -0.542 25510 1852 1 4 . 1 1 45 45 ARG C C 45 177.492 177.492 178.387 -0.895 25510 1853 1 4 . 1 1 45 45 ARG CA C 45 60.809 60.809 57.764 3.045 25510 1854 1 4 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.226 2.788 25510 1855 1 4 . 1 1 45 45 ARG H H 45 8.611 8.611 7.580 1.031 25510 1856 1 4 . 1 1 46 46 THR N N 46 118.315 118.315 113.182 5.133 25510 1857 1 4 . 1 1 46 46 THR HA H 46 4.051 4.051 4.234 -0.183 25510 1858 1 4 . 1 1 46 46 THR C C 46 179.947 179.947 176.278 3.669 25510 1859 1 4 . 1 1 46 46 THR CA C 46 59.605 59.605 65.035 -5.430 25510 1860 1 4 . 1 1 46 46 THR CB C 46 32.375 32.375 69.166 -36.791 25510 1861 1 4 . 1 1 46 46 THR H H 46 8.182 8.182 7.589 0.593 25510 1862 1 4 . 1 1 47 47 GLU N N 47 118.691 118.691 121.600 -2.909 25510 1863 1 4 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.188 -0.166 25510 1864 1 4 . 1 1 47 47 GLU C C 47 179.758 179.758 179.021 0.737 25510 1865 1 4 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.380 -0.181 25510 1866 1 4 . 1 1 47 47 GLU H H 47 8.117 8.117 7.650 0.467 25510 1867 1 4 . 1 1 48 48 LEU N N 48 120.020 120.020 121.193 -1.173 25510 1868 1 4 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.973 -0.214 25510 1869 1 4 . 1 1 48 48 LEU C C 48 177.474 177.474 178.898 -1.424 25510 1870 1 4 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.821 0.753 25510 1871 1 4 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.743 -0.141 25510 1872 1 4 . 1 1 48 48 LEU H H 48 8.355 8.355 8.431 -0.076 25510 1873 1 4 . 1 1 49 49 ALA N N 49 120.164 120.164 120.879 -0.715 25510 1874 1 4 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.881 -0.192 25510 1875 1 4 . 1 1 49 49 ALA C C 49 178.552 178.552 179.131 -0.579 25510 1876 1 4 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.282 0.847 25510 1877 1 4 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.893 -0.257 25510 1878 1 4 . 1 1 49 49 ALA H H 49 8.224 8.224 7.772 0.452 25510 1879 1 4 . 1 1 50 50 ASP N N 50 115.824 115.824 118.546 -2.722 25510 1880 1 4 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.343 0.075 25510 1881 1 4 . 1 1 50 50 ASP C C 50 179.108 179.108 178.107 1.001 25510 1882 1 4 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.062 0.859 25510 1883 1 4 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.056 -1.294 25510 1884 1 4 . 1 1 50 50 ASP H H 50 8.041 8.041 7.622 0.419 25510 1885 1 4 . 1 1 51 51 HIS N N 51 117.866 117.866 120.422 -2.556 25510 1886 1 4 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.183 0.282 25510 1887 1 4 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.702 -1.212 25510 1888 1 4 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.249 -2.184 25510 1889 1 4 . 1 1 51 51 HIS H H 51 8.541 8.541 8.255 0.286 25510 1890 1 4 . 1 1 52 52 LEU N N 52 120.279 120.279 116.998 3.281 25510 1891 1 4 . 1 1 52 52 LEU HA H 52 3.626 3.626 4.051 -0.425 25510 1892 1 4 . 1 1 52 52 LEU C C 52 178.488 178.488 178.517 -0.029 25510 1893 1 4 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.842 0.538 25510 1894 1 4 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.800 -1.369 25510 1895 1 4 . 1 1 52 52 LEU H H 52 8.529 8.529 7.808 0.721 25510 1896 1 4 . 1 1 53 53 ILE N N 53 119.478 119.478 118.453 1.025 25510 1897 1 4 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.840 -0.401 25510 1898 1 4 . 1 1 53 53 ILE C C 53 178.798 178.798 178.447 0.351 25510 1899 1 4 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.502 0.483 25510 1900 1 4 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.343 0.310 25510 1901 1 4 . 1 1 53 53 ILE H H 53 8.069 8.069 7.337 0.732 25510 1902 1 4 . 1 1 54 54 GLN N N 54 119.904 119.904 116.997 2.907 25510 1903 1 4 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.018 0.002 25510 1904 1 4 . 1 1 54 54 GLN C C 54 177.668 177.668 177.389 0.279 25510 1905 1 4 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.736 0.924 25510 1906 1 4 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.301 0.188 25510 1907 1 4 . 1 1 54 54 GLN H H 54 8.382 8.382 7.694 0.688 25510 1908 1 4 . 1 1 55 55 SER N N 55 110.647 110.647 115.060 -4.413 25510 1909 1 4 . 1 1 55 55 SER HA H 55 4.353 4.353 4.203 0.150 25510 1910 1 4 . 1 1 55 55 SER C C 55 175.910 175.910 174.885 1.025 25510 1911 1 4 . 1 1 55 55 SER CA C 55 61.019 61.019 60.586 0.433 25510 1912 1 4 . 1 1 55 55 SER CB C 55 63.997 63.997 63.178 0.819 25510 1913 1 4 . 1 1 55 55 SER H H 55 7.623 7.623 7.232 0.391 25510 1914 1 4 . 1 1 56 56 ALA N N 56 118.590 118.590 119.652 -1.062 25510 1915 1 4 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.489 0.236 25510 1916 1 4 . 1 1 56 56 ALA C C 56 178.537 178.537 176.398 2.139 25510 1917 1 4 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.247 0.465 25510 1918 1 4 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.777 0.985 25510 1919 1 4 . 1 1 56 56 ALA H H 56 7.908 7.908 7.532 0.376 25510 1920 1 4 . 1 1 57 57 GLY N N 57 109.060 109.060 106.348 2.712 25510 1921 1 4 . 1 1 57 57 GLY C C 57 174.410 174.410 173.830 0.580 25510 1922 1 4 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.332 -1.101 25510 1923 1 4 . 1 1 57 57 GLY H H 57 7.996 7.996 7.392 0.604 25510 1924 1 4 . 1 1 58 58 ALA N N 58 123.460 123.460 123.118 0.342 25510 1925 1 4 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.133 -0.127 25510 1926 1 4 . 1 1 58 58 ALA C C 58 177.285 177.285 179.415 -2.130 25510 1927 1 4 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.750 2.331 25510 1928 1 4 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.961 0.245 25510 1929 1 4 . 1 1 58 58 ALA H H 58 8.710 8.710 8.488 0.222 25510 1930 1 4 . 1 1 59 59 ALA N N 59 118.918 118.918 120.125 -1.207 25510 1931 1 4 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.253 -1.306 25510 1932 1 4 . 1 1 59 59 ALA C C 59 181.017 181.017 179.832 1.185 25510 1933 1 4 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.481 0.912 25510 1934 1 4 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.962 0.068 25510 1935 1 4 . 1 1 59 59 ALA H H 59 8.272 8.272 8.474 -0.202 25510 1936 1 4 . 1 1 60 60 SER N N 60 112.905 112.905 114.274 -1.369 25510 1937 1 4 . 1 1 60 60 SER HA H 60 4.130 4.130 4.240 -0.110 25510 1938 1 4 . 1 1 60 60 SER C C 60 176.246 176.246 176.803 -0.557 25510 1939 1 4 . 1 1 60 60 SER CA C 60 60.601 60.601 61.868 -1.267 25510 1940 1 4 . 1 1 60 60 SER CB C 60 62.796 62.796 62.842 -0.046 25510 1941 1 4 . 1 1 60 60 SER H H 60 8.218 8.218 8.310 -0.092 25510 1942 1 4 . 1 1 61 61 ALA N N 61 121.207 121.207 124.131 -2.924 25510 1943 1 4 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.157 -0.001 25510 1944 1 4 . 1 1 61 61 ALA C C 61 179.639 179.639 179.864 -0.225 25510 1945 1 4 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.979 0.676 25510 1946 1 4 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.347 0.203 25510 1947 1 4 . 1 1 61 61 ALA H H 61 8.583 8.583 7.410 1.173 25510 1948 1 4 . 1 1 62 62 VAL N N 62 116.024 116.024 116.850 -0.826 25510 1949 1 4 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.610 0.063 25510 1950 1 4 . 1 1 62 62 VAL C C 62 177.567 177.567 177.705 -0.138 25510 1951 1 4 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.002 1.901 25510 1952 1 4 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.652 -0.099 25510 1953 1 4 . 1 1 62 62 VAL H H 62 7.517 7.517 7.712 -0.195 25510 1954 1 4 . 1 1 63 63 THR N N 63 117.797 117.797 112.199 5.598 25510 1955 1 4 . 1 1 63 63 THR HA H 63 4.318 4.318 4.276 0.042 25510 1956 1 4 . 1 1 63 63 THR C C 63 176.800 176.800 176.674 0.126 25510 1957 1 4 . 1 1 63 63 THR CA C 63 68.590 68.590 65.218 3.372 25510 1958 1 4 . 1 1 63 63 THR CB C 63 67.818 67.818 69.298 -1.480 25510 1959 1 4 . 1 1 63 63 THR H H 63 8.007 8.007 7.667 0.340 25510 1960 1 4 . 1 1 64 64 LYS N N 64 121.300 121.300 121.967 -0.667 25510 1961 1 4 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.108 -0.211 25510 1962 1 4 . 1 1 64 64 LYS C C 64 178.721 178.721 178.533 0.188 25510 1963 1 4 . 1 1 64 64 LYS CA C 64 59.942 59.942 59.106 0.836 25510 1964 1 4 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.636 2.602 25510 1965 1 4 . 1 1 64 64 LYS H H 64 8.771 8.771 8.050 0.721 25510 1966 1 4 . 1 1 65 65 ALA N N 65 121.115 121.115 122.577 -1.462 25510 1967 1 4 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.256 -0.204 25510 1968 1 4 . 1 1 65 65 ALA C C 65 178.759 178.759 179.707 -0.948 25510 1969 1 4 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.017 1.033 25510 1970 1 4 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.249 -0.005 25510 1971 1 4 . 1 1 65 65 ALA H H 65 8.598 8.598 8.222 0.376 25510 1972 1 4 . 1 1 66 66 ILE N N 66 118.735 118.735 116.918 1.817 25510 1973 1 4 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.832 -0.183 25510 1974 1 4 . 1 1 66 66 ILE C C 66 177.252 177.252 177.707 -0.455 25510 1975 1 4 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.385 4.574 25510 1976 1 4 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.883 1.166 25510 1977 1 4 . 1 1 66 66 ILE H H 66 8.657 8.657 7.899 0.758 25510 1978 1 4 . 1 1 67 67 ASN N N 67 117.463 117.463 119.196 -1.733 25510 1979 1 4 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.801 -0.394 25510 1980 1 4 . 1 1 67 67 ASN C C 67 178.095 178.095 178.347 -0.252 25510 1981 1 4 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.128 0.441 25510 1982 1 4 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.059 0.321 25510 1983 1 4 . 1 1 67 67 ASN H H 67 7.525 7.525 7.863 -0.338 25510 1984 1 4 . 1 1 68 68 ILE N N 68 120.886 120.886 120.479 0.407 25510 1985 1 4 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.845 -0.599 25510 1986 1 4 . 1 1 68 68 ILE C C 68 177.540 177.540 177.743 -0.203 25510 1987 1 4 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.012 1.204 25510 1988 1 4 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.386 -0.970 25510 1989 1 4 . 1 1 68 68 ILE H H 68 8.170 8.170 7.628 0.542 25510 1990 1 4 . 1 1 69 69 PHE N N 69 117.836 117.836 119.773 -1.937 25510 1991 1 4 . 1 1 69 69 PHE HA H 69 4.398 4.398 3.898 0.500 25510 1992 1 4 . 1 1 69 69 PHE C C 69 178.279 178.279 177.179 1.100 25510 1993 1 4 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.321 1.516 25510 1994 1 4 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.028 -1.034 25510 1995 1 4 . 1 1 69 69 PHE H H 69 8.963 8.963 8.259 0.704 25510 1996 1 4 . 1 1 70 70 GLN N N 70 118.145 118.145 118.581 -0.436 25510 1997 1 4 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.794 0.348 25510 1998 1 4 . 1 1 70 70 GLN C C 70 180.057 180.057 177.707 2.350 25510 1999 1 4 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.444 1.342 25510 2000 1 4 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.215 -0.542 25510 2001 1 4 . 1 1 70 70 GLN H H 70 8.480 8.480 8.338 0.142 25510 2002 1 4 . 1 1 71 71 LYS N N 71 123.368 123.368 118.393 4.975 25510 2003 1 4 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.092 -0.167 25510 2004 1 4 . 1 1 71 71 LYS C C 71 178.755 178.755 177.757 0.998 25510 2005 1 4 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.389 1.113 25510 2006 1 4 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.252 -0.224 25510 2007 1 4 . 1 1 71 71 LYS H H 71 8.099 8.099 7.417 0.682 25510 2008 1 4 . 1 1 72 72 LEU N N 72 117.830 117.830 118.081 -0.251 25510 2009 1 4 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.207 -0.215 25510 2010 1 4 . 1 1 72 72 LEU C C 72 175.462 175.462 177.180 -1.718 25510 2011 1 4 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.042 -0.973 25510 2012 1 4 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.419 -0.264 25510 2013 1 4 . 1 1 72 72 LEU H H 72 7.866 7.866 7.363 0.503 25510 2014 1 4 . 1 1 73 73 ASN N N 73 113.996 113.996 114.582 -0.586 25510 2015 1 4 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.452 -0.113 25510 2016 1 4 . 1 1 73 73 ASN C C 73 175.753 175.753 174.405 1.348 25510 2017 1 4 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.668 0.806 25510 2018 1 4 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.075 -3.596 25510 2019 1 4 . 1 1 73 73 ASN H H 73 8.026 8.026 7.522 0.504 25510 2020 1 4 . 1 1 74 74 TYR N N 74 122.244 122.244 119.912 2.332 25510 2021 1 4 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.822 0.455 25510 2022 1 4 . 1 1 74 74 TYR C C 74 177.548 177.548 175.504 2.044 25510 2023 1 4 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.615 -2.556 25510 2024 1 4 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.338 -2.962 25510 2025 1 4 . 1 1 74 74 TYR H H 74 8.613 8.613 7.211 1.402 25510 2026 1 4 . 1 1 75 75 MET N N 75 117.619 117.619 120.684 -3.065 25510 2027 1 4 . 1 1 75 75 MET HA H 75 4.275 4.275 4.024 0.251 25510 2028 1 4 . 1 1 75 75 MET C C 75 178.716 178.716 175.973 2.743 25510 2029 1 4 . 1 1 75 75 MET CA C 75 57.231 57.231 59.438 -2.207 25510 2030 1 4 . 1 1 75 75 MET CB C 75 30.304 30.304 32.102 -1.798 25510 2031 1 4 . 1 1 75 75 MET H H 75 7.722 7.722 7.983 -0.261 25510 2032 1 4 . 1 1 76 76 HIS N N 76 117.559 117.559 120.109 -2.550 25510 2033 1 4 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.626 -0.159 25510 2034 1 4 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.003 -0.006 25510 2035 1 4 . 1 1 76 76 HIS CB C 76 27.437 27.437 30.183 -2.746 25510 2036 1 4 . 1 1 76 76 HIS H H 76 8.865 8.865 8.140 0.725 25510 2037 1 4 . 1 1 77 77 ILE N N 77 119.750 119.750 119.883 -0.133 25510 2038 1 4 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.494 0.090 25510 2039 1 4 . 1 1 77 77 ILE C C 77 177.168 177.168 177.751 -0.583 25510 2040 1 4 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.859 0.345 25510 2041 1 4 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.583 0.217 25510 2042 1 4 . 1 1 77 77 ILE H H 77 7.356 7.356 7.430 -0.074 25510 2043 1 4 . 1 1 78 78 ALA N N 78 120.662 120.662 121.451 -0.789 25510 2044 1 4 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.857 0.073 25510 2045 1 4 . 1 1 78 78 ALA C C 78 178.936 178.936 178.796 0.140 25510 2046 1 4 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.486 0.935 25510 2047 1 4 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.306 0.681 25510 2048 1 4 . 1 1 78 78 ALA H H 78 8.054 8.054 8.411 -0.357 25510 2049 1 4 . 1 1 79 79 ASN N N 79 114.176 114.176 116.483 -2.307 25510 2050 1 4 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.604 -0.160 25510 2051 1 4 . 1 1 79 79 ASN C C 79 177.625 177.625 177.577 0.048 25510 2052 1 4 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.146 -0.095 25510 2053 1 4 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.227 -0.003 25510 2054 1 4 . 1 1 79 79 ASN H H 79 8.531 8.531 7.636 0.895 25510 2055 1 4 . 1 1 80 80 ALA N N 80 123.670 123.670 121.519 2.151 25510 2056 1 4 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.362 -0.234 25510 2057 1 4 . 1 1 80 80 ALA C C 80 180.727 180.727 178.576 2.151 25510 2058 1 4 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.035 1.127 25510 2059 1 4 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.700 -0.438 25510 2060 1 4 . 1 1 80 80 ALA H H 80 7.822 7.822 7.458 0.364 25510 2061 1 4 . 1 1 81 81 LEU N N 81 120.065 120.065 118.471 1.594 25510 2062 1 4 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.958 0.034 25510 2063 1 4 . 1 1 81 81 LEU C C 81 177.550 177.550 179.238 -1.688 25510 2064 1 4 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.377 0.497 25510 2065 1 4 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.864 0.475 25510 2066 1 4 . 1 1 81 81 LEU H H 81 8.526 8.526 7.303 1.223 25510 2067 1 4 . 1 1 82 82 GLU N N 82 119.844 119.844 119.010 0.834 25510 2068 1 4 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.967 0.028 25510 2069 1 4 . 1 1 82 82 GLU C C 82 178.510 178.510 178.726 -0.216 25510 2070 1 4 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.282 0.389 25510 2071 1 4 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.774 0.030 25510 2072 1 4 . 1 1 82 82 GLU H H 82 8.429 8.429 8.630 -0.201 25510 2073 1 4 . 1 1 83 83 GLU N N 83 118.585 118.585 120.515 -1.930 25510 2074 1 4 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.049 0.005 25510 2075 1 4 . 1 1 83 83 GLU C C 83 179.516 179.516 178.768 0.748 25510 2076 1 4 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.846 1.058 25510 2077 1 4 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.924 0.035 25510 2078 1 4 . 1 1 83 83 GLU H H 83 8.138 8.138 7.948 0.190 25510 2079 1 4 . 1 1 84 84 LYS N N 84 119.135 119.135 119.827 -0.692 25510 2080 1 4 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.041 0.079 25510 2081 1 4 . 1 1 84 84 LYS CA C 84 59.708 59.708 59.016 0.692 25510 2082 1 4 . 1 1 84 84 LYS H H 84 8.690 8.690 8.012 0.678 25510 2083 1 4 . 1 1 85 85 LYS N N 85 118.012 118.012 119.221 -1.209 25510 2084 1 4 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.030 0.427 25510 2085 1 4 . 1 1 85 85 LYS H H 85 8.109 8.109 7.874 0.235 25510 2086 1 4 . 1 1 86 86 LYS N N 86 119.839 119.839 117.230 2.609 25510 2087 1 4 . 1 1 86 86 LYS HA H 86 3.918 3.918 3.977 -0.059 25510 2088 1 4 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.253 4.045 25510 2089 1 4 . 1 1 86 86 LYS H H 86 8.577 8.577 7.710 0.867 25510 2090 1 4 . 1 1 87 87 GLU N N 87 119.674 119.674 119.037 0.637 25510 2091 1 4 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.142 -0.151 25510 2092 1 4 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.333 0.906 25510 2093 1 4 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.768 -0.656 25510 2094 1 4 . 1 1 87 87 GLU H H 87 8.402 8.402 7.702 0.700 25510 2095 1 4 . 1 1 88 88 ALA N N 88 121.869 121.869 122.479 -0.610 25510 2096 1 4 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.848 0.234 25510 2097 1 4 . 1 1 88 88 ALA C C 88 179.999 179.999 179.492 0.507 25510 2098 1 4 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.844 0.094 25510 2099 1 4 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.382 1.035 25510 2100 1 4 . 1 1 88 88 ALA H H 88 8.043 8.043 7.654 0.389 25510 2101 1 4 . 1 1 89 89 GLU N N 89 115.931 115.931 118.120 -2.189 25510 2102 1 4 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.872 0.132 25510 2103 1 4 . 1 1 89 89 GLU C C 89 178.454 178.454 178.944 -0.490 25510 2104 1 4 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.334 -0.940 25510 2105 1 4 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.045 0.099 25510 2106 1 4 . 1 1 89 89 GLU H H 89 8.058 8.058 7.844 0.214 25510 2107 1 4 . 1 1 90 90 ARG N N 90 119.607 119.607 115.690 3.917 25510 2108 1 4 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.144 0.039 25510 2109 1 4 . 1 1 90 90 ARG C C 90 177.870 177.870 178.119 -0.249 25510 2110 1 4 . 1 1 90 90 ARG CA C 90 58.265 58.265 57.875 0.390 25510 2111 1 4 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.808 0.442 25510 2112 1 4 . 1 1 90 90 ARG H H 90 7.791 7.791 7.617 0.174 25510 2113 1 4 . 1 1 91 91 LYS N N 91 118.638 118.638 118.965 -0.327 25510 2114 1 4 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.119 0.078 25510 2115 1 4 . 1 1 91 91 LYS C C 91 177.087 177.087 178.110 -1.023 25510 2116 1 4 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.942 -1.336 25510 2117 1 4 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.590 0.030 25510 2118 1 4 . 1 1 91 91 LYS H H 91 7.709 7.709 7.211 0.498 25510 2119 1 4 . 1 1 92 92 LEU N N 92 119.640 119.640 118.497 1.143 25510 2120 1 4 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.300 0.029 25510 2121 1 4 . 1 1 92 92 LEU C C 92 177.464 177.464 178.264 -0.800 25510 2122 1 4 . 1 1 92 92 LEU CA C 92 55.618 55.618 56.130 -0.512 25510 2123 1 4 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.965 0.390 25510 2124 1 4 . 1 1 92 92 LEU H H 92 7.766 7.766 8.265 -0.499 25510 2125 1 4 . 1 1 93 93 MET N N 93 119.121 119.121 118.497 0.624 25510 2126 1 4 . 1 1 93 93 MET HA H 93 4.570 4.570 4.349 0.221 25510 2127 1 4 . 1 1 93 93 MET C C 93 176.224 176.224 175.969 0.255 25510 2128 1 4 . 1 1 93 93 MET CA C 93 55.648 55.648 57.137 -1.489 25510 2129 1 4 . 1 1 93 93 MET CB C 93 32.978 32.978 33.315 -0.337 25510 2130 1 4 . 1 1 93 93 MET H H 93 7.973 7.973 7.785 0.188 25510 2131 1 4 . 1 1 94 94 THR N N 94 114.125 114.125 111.843 2.282 25510 2132 1 4 . 1 1 94 94 THR HA H 94 4.375 4.375 4.498 -0.123 25510 2133 1 4 . 1 1 94 94 THR C C 94 173.550 173.550 173.972 -0.422 25510 2134 1 4 . 1 1 94 94 THR CA C 94 61.682 61.682 60.810 0.872 25510 2135 1 4 . 1 1 94 94 THR CB C 94 70.027 70.027 70.876 -0.850 25510 2136 1 4 . 1 1 94 94 THR H H 94 8.025 8.025 7.446 0.579 25510 2137 1 5 . 1 1 2 2 GLU N N 2 119.768 119.768 123.543 -3.775 25510 2138 1 5 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.086 -0.066 25510 2139 1 5 . 1 1 2 2 GLU C C 2 178.535 178.535 177.939 0.596 25510 2140 1 5 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.486 1.263 25510 2141 1 5 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.120 -0.013 25510 2142 1 5 . 1 1 2 2 GLU H H 2 8.426 8.426 8.961 -0.535 25510 2143 1 5 . 1 1 3 3 SER N N 3 113.553 113.553 116.191 -2.638 25510 2144 1 5 . 1 1 3 3 SER HA H 3 4.235 4.235 4.224 0.011 25510 2145 1 5 . 1 1 3 3 SER C C 3 176.578 176.578 176.525 0.053 25510 2146 1 5 . 1 1 3 3 SER CA C 3 61.448 61.448 62.081 -0.633 25510 2147 1 5 . 1 1 3 3 SER CB C 3 62.746 62.746 62.635 0.111 25510 2148 1 5 . 1 1 3 3 SER H H 3 8.151 8.151 8.449 -0.298 25510 2149 1 5 . 1 1 4 4 GLU N N 4 122.599 122.599 122.508 0.091 25510 2150 1 5 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.130 -0.053 25510 2151 1 5 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.659 0.757 25510 2152 1 5 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.505 -1.244 25510 2153 1 5 . 1 1 4 4 GLU H H 4 8.051 8.051 7.710 0.341 25510 2154 1 5 . 1 1 5 5 TYR N N 5 119.991 119.991 120.516 -0.525 25510 2155 1 5 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.241 0.231 25510 2156 1 5 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.420 -0.507 25510 2157 1 5 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.737 -0.784 25510 2158 1 5 . 1 1 5 5 TYR H H 5 8.339 8.339 7.582 0.757 25510 2159 1 5 . 1 1 6 6 ARG N N 6 120.010 120.010 118.107 1.903 25510 2160 1 5 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.948 -0.189 25510 2161 1 5 . 1 1 6 6 ARG C C 6 177.365 177.365 178.067 -0.702 25510 2162 1 5 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.151 1.510 25510 2163 1 5 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.754 0.584 25510 2164 1 5 . 1 1 6 6 ARG H H 6 8.202 8.202 8.162 0.040 25510 2165 1 5 . 1 1 7 7 GLU N N 7 116.287 116.287 120.956 -4.669 25510 2166 1 5 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.052 -0.002 25510 2167 1 5 . 1 1 7 7 GLU C C 7 178.544 178.544 178.428 0.116 25510 2168 1 5 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.122 0.292 25510 2169 1 5 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.724 -0.701 25510 2170 1 5 . 1 1 7 7 GLU H H 7 8.165 8.165 8.181 -0.016 25510 2171 1 5 . 1 1 8 8 MET N N 8 116.181 116.181 119.191 -3.010 25510 2172 1 5 . 1 1 8 8 MET HA H 8 4.411 4.411 4.141 0.270 25510 2173 1 5 . 1 1 8 8 MET C C 8 177.616 177.616 177.764 -0.148 25510 2174 1 5 . 1 1 8 8 MET CA C 8 59.067 59.067 57.660 1.407 25510 2175 1 5 . 1 1 8 8 MET CB C 8 32.089 32.089 32.215 -0.126 25510 2176 1 5 . 1 1 8 8 MET H H 8 8.168 8.168 7.816 0.352 25510 2177 1 5 . 1 1 9 9 LEU N N 9 122.056 122.056 119.266 2.790 25510 2178 1 5 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.893 0.088 25510 2179 1 5 . 1 1 9 9 LEU C C 9 177.211 177.211 178.533 -1.322 25510 2180 1 5 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.676 0.825 25510 2181 1 5 . 1 1 9 9 LEU CB C 9 42.298 42.298 40.852 1.446 25510 2182 1 5 . 1 1 9 9 LEU H H 9 7.883 7.883 7.305 0.578 25510 2183 1 5 . 1 1 10 10 LEU N N 10 117.952 117.952 117.965 -0.013 25510 2184 1 5 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.927 0.027 25510 2185 1 5 . 1 1 10 10 LEU C C 10 176.132 176.132 179.637 -3.505 25510 2186 1 5 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.606 0.786 25510 2187 1 5 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.346 2.386 25510 2188 1 5 . 1 1 10 10 LEU H H 10 8.011 8.011 7.487 0.524 25510 2189 1 5 . 1 1 11 11 LEU N N 11 116.301 116.301 117.083 -0.782 25510 2190 1 5 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.162 -0.012 25510 2191 1 5 . 1 1 11 11 LEU C C 11 179.384 179.384 179.032 0.352 25510 2192 1 5 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.657 0.283 25510 2193 1 5 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.767 0.901 25510 2194 1 5 . 1 1 11 11 LEU H H 11 8.916 8.916 8.065 0.851 25510 2195 1 5 . 1 1 12 12 THR N N 12 112.429 112.429 116.426 -3.997 25510 2196 1 5 . 1 1 12 12 THR HA H 12 4.148 4.148 3.945 0.203 25510 2197 1 5 . 1 1 12 12 THR C C 12 174.055 174.055 175.729 -1.674 25510 2198 1 5 . 1 1 12 12 THR CA C 12 65.127 65.127 66.764 -1.637 25510 2199 1 5 . 1 1 12 12 THR CB C 12 68.421 68.421 68.314 0.107 25510 2200 1 5 . 1 1 12 12 THR H H 12 7.753 7.753 7.935 -0.182 25510 2201 1 5 . 1 1 13 13 GLY N N 13 124.320 124.320 107.681 16.639 25510 2202 1 5 . 1 1 13 13 GLY C C 13 173.259 173.259 175.862 -2.603 25510 2203 1 5 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.271 1.163 25510 2204 1 5 . 1 1 13 13 GLY H H 13 7.019 7.019 7.582 -0.563 25510 2205 1 5 . 1 1 14 14 LEU N N 14 121.922 121.922 122.844 -0.922 25510 2206 1 5 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.085 -0.169 25510 2207 1 5 . 1 1 14 14 LEU C C 14 178.842 178.842 178.771 0.071 25510 2208 1 5 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.752 0.298 25510 2209 1 5 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.236 0.590 25510 2210 1 5 . 1 1 14 14 LEU H H 14 8.941 8.941 7.487 1.454 25510 2211 1 5 . 1 1 15 15 ASP N N 15 115.417 115.417 116.120 -0.703 25510 2212 1 5 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.625 -0.126 25510 2213 1 5 . 1 1 15 15 ASP C C 15 175.905 175.905 176.366 -0.461 25510 2214 1 5 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.679 -0.874 25510 2215 1 5 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.710 -2.884 25510 2216 1 5 . 1 1 15 15 ASP H H 15 9.012 9.012 8.092 0.920 25510 2217 1 5 . 1 1 16 16 HIS N N 16 114.840 114.840 116.268 -1.428 25510 2218 1 5 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.738 -0.004 25510 2219 1 5 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.934 -0.362 25510 2220 1 5 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.750 -1.528 25510 2221 1 5 . 1 1 16 16 HIS H H 16 7.807 7.807 7.930 -0.123 25510 2222 1 5 . 1 1 17 17 ILE N N 17 111.347 111.347 115.809 -4.462 25510 2223 1 5 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.750 0.211 25510 2224 1 5 . 1 1 17 17 ILE C C 17 176.154 176.154 175.019 1.135 25510 2225 1 5 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.851 0.661 25510 2226 1 5 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.922 -1.248 25510 2227 1 5 . 1 1 17 17 ILE H H 17 7.041 7.041 7.399 -0.358 25510 2228 1 5 . 1 1 18 18 THR N N 18 114.804 114.804 113.067 1.737 25510 2229 1 5 . 1 1 18 18 THR HA H 18 4.384 4.384 4.501 -0.117 25510 2230 1 5 . 1 1 18 18 THR C C 18 174.991 174.991 175.719 -0.728 25510 2231 1 5 . 1 1 18 18 THR CA C 18 61.063 61.063 60.224 0.839 25510 2232 1 5 . 1 1 18 18 THR CB C 18 71.227 71.227 70.592 0.635 25510 2233 1 5 . 1 1 18 18 THR H H 18 8.672 8.672 8.521 0.151 25510 2234 1 5 . 1 1 19 19 GLU N N 19 119.385 119.385 121.518 -2.133 25510 2235 1 5 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.022 0.010 25510 2236 1 5 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.280 -0.408 25510 2237 1 5 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.130 -0.179 25510 2238 1 5 . 1 1 19 19 GLU H H 19 8.886 8.886 8.886 0.000 25510 2239 1 5 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.072 0.018 25510 2240 1 5 . 1 1 20 20 GLU C C 20 179.664 179.664 179.007 0.657 25510 2241 1 5 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.187 0.408 25510 2242 1 5 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.930 0.113 25510 2243 1 5 . 1 1 21 21 GLU N N 21 120.346 120.346 120.079 0.267 25510 2244 1 5 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.144 0.126 25510 2245 1 5 . 1 1 21 21 GLU C C 21 179.079 179.079 179.128 -0.049 25510 2246 1 5 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.324 0.194 25510 2247 1 5 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.549 0.336 25510 2248 1 5 . 1 1 21 21 GLU H H 21 7.611 7.611 7.629 -0.018 25510 2249 1 5 . 1 1 22 22 LEU N N 22 122.508 122.508 121.987 0.521 25510 2250 1 5 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.176 -0.044 25510 2251 1 5 . 1 1 22 22 LEU C C 22 178.698 178.698 178.273 0.425 25510 2252 1 5 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.069 -0.208 25510 2253 1 5 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.081 -0.361 25510 2254 1 5 . 1 1 22 22 LEU H H 22 9.016 9.016 8.351 0.665 25510 2255 1 5 . 1 1 23 23 LYS N N 23 119.162 119.162 118.920 0.242 25510 2256 1 5 . 1 1 23 23 LYS HA H 23 3.986 3.986 3.974 0.012 25510 2257 1 5 . 1 1 23 23 LYS C C 23 179.624 179.624 178.892 0.732 25510 2258 1 5 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.869 0.822 25510 2259 1 5 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.236 0.158 25510 2260 1 5 . 1 1 23 23 LYS H H 23 7.777 7.777 8.252 -0.475 25510 2261 1 5 . 1 1 24 24 ARG N N 24 119.502 119.502 119.476 0.026 25510 2262 1 5 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.222 -0.021 25510 2263 1 5 . 1 1 24 24 ARG C C 24 178.260 178.260 178.578 -0.318 25510 2264 1 5 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.275 -0.043 25510 2265 1 5 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.268 -0.474 25510 2266 1 5 . 1 1 24 24 ARG H H 24 7.397 7.397 7.416 -0.019 25510 2267 1 5 . 1 1 25 25 PHE N N 25 120.567 120.567 120.930 -0.363 25510 2268 1 5 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.235 -0.367 25510 2269 1 5 . 1 1 25 25 PHE C C 25 177.302 177.302 177.202 0.100 25510 2270 1 5 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.494 0.687 25510 2271 1 5 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.101 0.442 25510 2272 1 5 . 1 1 25 25 PHE H H 25 8.798 8.798 8.180 0.618 25510 2273 1 5 . 1 1 26 26 LYS N N 26 117.901 117.901 119.127 -1.226 25510 2274 1 5 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.657 0.017 25510 2275 1 5 . 1 1 26 26 LYS C C 26 177.118 177.118 178.826 -1.708 25510 2276 1 5 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.816 1.146 25510 2277 1 5 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.326 0.713 25510 2278 1 5 . 1 1 26 26 LYS H H 26 8.841 8.841 8.226 0.615 25510 2279 1 5 . 1 1 27 27 TYR N N 27 118.480 118.480 118.723 -0.243 25510 2280 1 5 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.431 -0.275 25510 2281 1 5 . 1 1 27 27 TYR C C 27 178.460 178.460 177.065 1.395 25510 2282 1 5 . 1 1 27 27 TYR CA C 27 61.457 61.457 60.480 0.977 25510 2283 1 5 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.701 -0.954 25510 2284 1 5 . 1 1 27 27 TYR H H 27 7.645 7.645 7.707 -0.062 25510 2285 1 5 . 1 1 28 28 PHE N N 28 117.525 117.525 119.499 -1.974 25510 2286 1 5 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.024 0.222 25510 2287 1 5 . 1 1 28 28 PHE C C 28 178.827 178.827 176.274 2.553 25510 2288 1 5 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.554 0.248 25510 2289 1 5 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.573 0.504 25510 2290 1 5 . 1 1 28 28 PHE H H 28 7.741 7.741 7.681 0.060 25510 2291 1 5 . 1 1 29 29 ALA N N 29 123.372 123.372 120.673 2.699 25510 2292 1 5 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.183 -0.210 25510 2293 1 5 . 1 1 29 29 ALA C C 29 178.340 178.340 178.051 0.289 25510 2294 1 5 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.851 1.471 25510 2295 1 5 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.186 -1.982 25510 2296 1 5 . 1 1 29 29 ALA H H 29 8.840 8.840 7.831 1.009 25510 2297 1 5 . 1 1 30 30 LEU N N 30 117.039 117.039 119.456 -2.417 25510 2298 1 5 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.795 -0.756 25510 2299 1 5 . 1 1 30 30 LEU C C 30 178.373 178.373 176.764 1.609 25510 2300 1 5 . 1 1 30 30 LEU CA C 30 58.344 58.344 54.112 4.232 25510 2301 1 5 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.575 1.352 25510 2302 1 5 . 1 1 30 30 LEU H H 30 7.443 7.443 7.639 -0.196 25510 2303 1 5 . 1 1 31 31 THR N N 31 125.874 125.874 115.893 9.981 25510 2304 1 5 . 1 1 31 31 THR HA H 31 4.228 4.228 3.930 0.298 25510 2305 1 5 . 1 1 31 31 THR C C 31 176.282 176.282 175.249 1.033 25510 2306 1 5 . 1 1 31 31 THR CA C 31 63.328 63.328 63.578 -0.250 25510 2307 1 5 . 1 1 31 31 THR CB C 31 69.170 69.170 69.332 -0.162 25510 2308 1 5 . 1 1 31 31 THR H H 31 7.014 7.014 7.840 -0.826 25510 2309 1 5 . 1 1 32 32 GLU N N 32 120.558 120.558 120.279 0.279 25510 2310 1 5 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.218 -0.066 25510 2311 1 5 . 1 1 32 32 GLU C C 32 175.968 175.968 176.816 -0.848 25510 2312 1 5 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.633 0.148 25510 2313 1 5 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.725 2.336 25510 2314 1 5 . 1 1 32 32 GLU H H 32 7.808 7.808 8.448 -0.640 25510 2315 1 5 . 1 1 33 33 PHE N N 33 114.045 114.045 117.779 -3.734 25510 2316 1 5 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.552 -0.082 25510 2317 1 5 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.343 -0.845 25510 2318 1 5 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.900 1.643 25510 2319 1 5 . 1 1 33 33 PHE H H 33 8.390 8.390 7.477 0.913 25510 2320 1 5 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.964 0.306 25510 2321 1 5 . 1 1 34 34 GLN C C 34 174.516 174.516 174.690 -0.174 25510 2322 1 5 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.989 0.165 25510 2323 1 5 . 1 1 34 34 GLN CB C 34 26.321 26.321 27.149 -0.828 25510 2324 1 5 . 1 1 34 34 GLN H H 34 7.968 7.968 8.215 -0.247 25510 2325 1 5 . 1 1 35 35 ILE N N 35 119.653 119.653 121.244 -1.591 25510 2326 1 5 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.997 0.374 25510 2327 1 5 . 1 1 35 35 ILE C C 35 173.592 173.592 176.059 -2.467 25510 2328 1 5 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.304 -1.894 25510 2329 1 5 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.098 3.659 25510 2330 1 5 . 1 1 35 35 ILE H H 35 7.455 7.455 8.296 -0.841 25510 2331 1 5 . 1 1 36 36 ALA N N 36 126.668 126.668 130.512 -3.844 25510 2332 1 5 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.247 0.021 25510 2333 1 5 . 1 1 36 36 ALA C C 36 178.784 178.784 178.303 0.481 25510 2334 1 5 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.716 -0.534 25510 2335 1 5 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.618 -0.353 25510 2336 1 5 . 1 1 36 36 ALA H H 36 8.238 8.238 8.427 -0.189 25510 2337 1 5 . 1 1 37 37 ARG N N 37 123.068 123.068 122.625 0.443 25510 2338 1 5 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.077 -0.261 25510 2339 1 5 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.540 1.298 25510 2340 1 5 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.163 -0.231 25510 2341 1 5 . 1 1 37 37 ARG H H 37 8.820 8.820 8.919 -0.099 25510 2342 1 5 . 1 1 38 38 SER N N 38 112.348 112.348 115.731 -3.383 25510 2343 1 5 . 1 1 38 38 SER HA H 38 4.178 4.178 4.329 -0.151 25510 2344 1 5 . 1 1 38 38 SER C C 38 178.315 178.315 175.877 2.438 25510 2345 1 5 . 1 1 38 38 SER CA C 38 60.772 60.772 61.933 -1.161 25510 2346 1 5 . 1 1 38 38 SER CB C 38 62.061 62.061 62.699 -0.638 25510 2347 1 5 . 1 1 38 38 SER H H 38 8.517 8.517 8.449 0.068 25510 2348 1 5 . 1 1 39 39 THR N N 39 117.311 117.311 116.218 1.093 25510 2349 1 5 . 1 1 39 39 THR HA H 39 4.025 4.025 4.128 -0.103 25510 2350 1 5 . 1 1 39 39 THR C C 39 175.203 175.203 175.207 -0.004 25510 2351 1 5 . 1 1 39 39 THR CA C 39 64.904 64.904 64.266 0.638 25510 2352 1 5 . 1 1 39 39 THR CB C 39 68.726 68.726 68.305 0.421 25510 2353 1 5 . 1 1 39 39 THR H H 39 7.231 7.231 7.607 -0.376 25510 2354 1 5 . 1 1 40 40 LEU N N 40 118.713 118.713 122.035 -3.322 25510 2355 1 5 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.964 0.067 25510 2356 1 5 . 1 1 40 40 LEU C C 40 177.743 177.743 178.270 -0.527 25510 2357 1 5 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.862 -1.799 25510 2358 1 5 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.504 0.790 25510 2359 1 5 . 1 1 40 40 LEU H H 40 7.552 7.552 7.450 0.102 25510 2360 1 5 . 1 1 41 41 ASP N N 41 119.468 119.468 119.119 0.349 25510 2361 1 5 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.425 0.072 25510 2362 1 5 . 1 1 41 41 ASP C C 41 177.111 177.111 177.626 -0.515 25510 2363 1 5 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.875 -0.281 25510 2364 1 5 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.376 -1.422 25510 2365 1 5 . 1 1 41 41 ASP H H 41 8.153 8.153 7.633 0.520 25510 2366 1 5 . 1 1 42 42 VAL N N 42 111.960 111.960 111.190 0.770 25510 2367 1 5 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.779 -0.451 25510 2368 1 5 . 1 1 42 42 VAL C C 42 175.994 175.994 176.084 -0.090 25510 2369 1 5 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.520 -0.778 25510 2370 1 5 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.575 0.166 25510 2371 1 5 . 1 1 42 42 VAL H H 42 7.293 7.293 7.610 -0.317 25510 2372 1 5 . 1 1 43 43 ALA N N 43 124.575 124.575 124.369 0.206 25510 2373 1 5 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.929 0.397 25510 2374 1 5 . 1 1 43 43 ALA C C 43 177.972 177.972 178.850 -0.878 25510 2375 1 5 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.799 -2.721 25510 2376 1 5 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.140 1.311 25510 2377 1 5 . 1 1 43 43 ALA H H 43 7.626 7.626 8.250 -0.624 25510 2378 1 5 . 1 1 44 44 ASP N N 44 119.810 119.810 117.109 2.701 25510 2379 1 5 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.288 -0.228 25510 2380 1 5 . 1 1 44 44 ASP C C 44 179.346 179.346 178.145 1.201 25510 2381 1 5 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.958 1.366 25510 2382 1 5 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.131 -8.199 25510 2383 1 5 . 1 1 44 44 ASP H H 44 8.002 8.002 8.834 -0.832 25510 2384 1 5 . 1 1 45 45 ARG N N 45 123.564 123.564 119.223 4.341 25510 2385 1 5 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.328 -0.559 25510 2386 1 5 . 1 1 45 45 ARG C C 45 177.492 177.492 178.617 -1.125 25510 2387 1 5 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.170 2.639 25510 2388 1 5 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.103 2.911 25510 2389 1 5 . 1 1 45 45 ARG H H 45 8.611 8.611 7.478 1.133 25510 2390 1 5 . 1 1 46 46 THR N N 46 118.315 118.315 114.459 3.856 25510 2391 1 5 . 1 1 46 46 THR HA H 46 4.051 4.051 4.363 -0.312 25510 2392 1 5 . 1 1 46 46 THR C C 46 179.947 179.947 176.349 3.598 25510 2393 1 5 . 1 1 46 46 THR CA C 46 59.605 59.605 65.370 -5.765 25510 2394 1 5 . 1 1 46 46 THR CB C 46 32.375 32.375 69.025 -36.650 25510 2395 1 5 . 1 1 46 46 THR H H 46 8.182 8.182 7.743 0.439 25510 2396 1 5 . 1 1 47 47 GLU N N 47 118.691 118.691 122.222 -3.531 25510 2397 1 5 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.152 -0.130 25510 2398 1 5 . 1 1 47 47 GLU C C 47 179.758 179.758 179.033 0.725 25510 2399 1 5 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.358 -0.159 25510 2400 1 5 . 1 1 47 47 GLU H H 47 8.117 8.117 7.667 0.450 25510 2401 1 5 . 1 1 48 48 LEU N N 48 120.020 120.020 120.656 -0.636 25510 2402 1 5 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.871 -0.112 25510 2403 1 5 . 1 1 48 48 LEU C C 48 177.474 177.474 178.975 -1.501 25510 2404 1 5 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.326 0.248 25510 2405 1 5 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.667 -0.065 25510 2406 1 5 . 1 1 48 48 LEU H H 48 8.355 8.355 8.458 -0.103 25510 2407 1 5 . 1 1 49 49 ALA N N 49 120.164 120.164 120.854 -0.690 25510 2408 1 5 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.849 -0.160 25510 2409 1 5 . 1 1 49 49 ALA C C 49 178.552 178.552 179.316 -0.764 25510 2410 1 5 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.245 0.884 25510 2411 1 5 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.951 -0.315 25510 2412 1 5 . 1 1 49 49 ALA H H 49 8.224 8.224 8.030 0.194 25510 2413 1 5 . 1 1 50 50 ASP N N 50 115.824 115.824 117.438 -1.614 25510 2414 1 5 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.346 0.072 25510 2415 1 5 . 1 1 50 50 ASP C C 50 179.108 179.108 178.232 0.876 25510 2416 1 5 . 1 1 50 50 ASP CA C 50 57.921 57.921 56.973 0.948 25510 2417 1 5 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.187 -1.423 25510 2418 1 5 . 1 1 50 50 ASP H H 50 8.041 8.041 7.717 0.324 25510 2419 1 5 . 1 1 51 51 HIS N N 51 117.866 117.866 119.698 -1.832 25510 2420 1 5 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.161 0.304 25510 2421 1 5 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.642 -1.153 25510 2422 1 5 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.058 -1.993 25510 2423 1 5 . 1 1 51 51 HIS H H 51 8.541 8.541 7.778 0.763 25510 2424 1 5 . 1 1 52 52 LEU N N 52 120.279 120.279 118.631 1.648 25510 2425 1 5 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.837 -0.211 25510 2426 1 5 . 1 1 52 52 LEU C C 52 178.488 178.488 178.364 0.124 25510 2427 1 5 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.130 0.250 25510 2428 1 5 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.677 -1.246 25510 2429 1 5 . 1 1 52 52 LEU H H 52 8.529 8.529 8.287 0.242 25510 2430 1 5 . 1 1 53 53 ILE N N 53 119.478 119.478 118.635 0.843 25510 2431 1 5 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.812 -0.373 25510 2432 1 5 . 1 1 53 53 ILE C C 53 178.798 178.798 178.591 0.207 25510 2433 1 5 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.562 0.423 25510 2434 1 5 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.398 0.255 25510 2435 1 5 . 1 1 53 53 ILE H H 53 8.069 8.069 7.455 0.614 25510 2436 1 5 . 1 1 54 54 GLN N N 54 119.904 119.904 117.522 2.382 25510 2437 1 5 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.969 0.051 25510 2438 1 5 . 1 1 54 54 GLN C C 54 177.668 177.668 177.515 0.153 25510 2439 1 5 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.162 0.498 25510 2440 1 5 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.351 0.138 25510 2441 1 5 . 1 1 54 54 GLN H H 54 8.382 8.382 7.861 0.521 25510 2442 1 5 . 1 1 55 55 SER N N 55 110.647 110.647 114.623 -3.976 25510 2443 1 5 . 1 1 55 55 SER HA H 55 4.353 4.353 4.385 -0.032 25510 2444 1 5 . 1 1 55 55 SER C C 55 175.910 175.910 175.176 0.734 25510 2445 1 5 . 1 1 55 55 SER CA C 55 61.019 61.019 60.576 0.443 25510 2446 1 5 . 1 1 55 55 SER CB C 55 63.997 63.997 63.739 0.258 25510 2447 1 5 . 1 1 55 55 SER H H 55 7.623 7.623 7.479 0.144 25510 2448 1 5 . 1 1 56 56 ALA N N 56 118.590 118.590 118.616 -0.026 25510 2449 1 5 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.536 0.189 25510 2450 1 5 . 1 1 56 56 ALA C C 56 178.537 178.537 176.263 2.274 25510 2451 1 5 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.112 0.600 25510 2452 1 5 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.199 0.563 25510 2453 1 5 . 1 1 56 56 ALA H H 56 7.908 7.908 7.493 0.415 25510 2454 1 5 . 1 1 57 57 GLY N N 57 109.060 109.060 106.773 2.287 25510 2455 1 5 . 1 1 57 57 GLY C C 57 174.410 174.410 174.145 0.265 25510 2456 1 5 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.711 -0.480 25510 2457 1 5 . 1 1 57 57 GLY H H 57 7.996 7.996 7.337 0.659 25510 2458 1 5 . 1 1 58 58 ALA N N 58 123.460 123.460 123.309 0.151 25510 2459 1 5 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.148 -0.142 25510 2460 1 5 . 1 1 58 58 ALA C C 58 177.285 177.285 179.386 -2.101 25510 2461 1 5 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.661 2.420 25510 2462 1 5 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.953 0.253 25510 2463 1 5 . 1 1 58 58 ALA H H 58 8.710 8.710 8.456 0.254 25510 2464 1 5 . 1 1 59 59 ALA N N 59 118.918 118.918 120.917 -1.999 25510 2465 1 5 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.177 -1.230 25510 2466 1 5 . 1 1 59 59 ALA C C 59 181.017 181.017 179.887 1.130 25510 2467 1 5 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.578 0.815 25510 2468 1 5 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.259 -0.229 25510 2469 1 5 . 1 1 59 59 ALA H H 59 8.272 8.272 8.530 -0.258 25510 2470 1 5 . 1 1 60 60 SER N N 60 112.905 112.905 114.113 -1.208 25510 2471 1 5 . 1 1 60 60 SER HA H 60 4.130 4.130 4.172 -0.042 25510 2472 1 5 . 1 1 60 60 SER C C 60 176.246 176.246 176.463 -0.217 25510 2473 1 5 . 1 1 60 60 SER CA C 60 60.601 60.601 61.331 -0.730 25510 2474 1 5 . 1 1 60 60 SER CB C 60 62.796 62.796 62.929 -0.133 25510 2475 1 5 . 1 1 60 60 SER H H 60 8.218 8.218 8.410 -0.192 25510 2476 1 5 . 1 1 61 61 ALA N N 61 121.207 121.207 123.464 -2.257 25510 2477 1 5 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.113 0.043 25510 2478 1 5 . 1 1 61 61 ALA C C 61 179.639 179.639 179.278 0.361 25510 2479 1 5 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.794 0.861 25510 2480 1 5 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.534 0.016 25510 2481 1 5 . 1 1 61 61 ALA H H 61 8.583 8.583 7.428 1.155 25510 2482 1 5 . 1 1 62 62 VAL N N 62 116.024 116.024 117.249 -1.225 25510 2483 1 5 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.691 -0.018 25510 2484 1 5 . 1 1 62 62 VAL C C 62 177.567 177.567 178.263 -0.696 25510 2485 1 5 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.137 1.766 25510 2486 1 5 . 1 1 62 62 VAL CB C 62 31.553 31.553 30.952 0.601 25510 2487 1 5 . 1 1 62 62 VAL H H 62 7.517 7.517 7.908 -0.391 25510 2488 1 5 . 1 1 63 63 THR N N 63 117.797 117.797 115.779 2.018 25510 2489 1 5 . 1 1 63 63 THR HA H 63 4.318 4.318 4.172 0.146 25510 2490 1 5 . 1 1 63 63 THR C C 63 176.800 176.800 176.735 0.065 25510 2491 1 5 . 1 1 63 63 THR CA C 63 68.590 68.590 67.061 1.529 25510 2492 1 5 . 1 1 63 63 THR CB C 63 67.818 67.818 68.869 -1.051 25510 2493 1 5 . 1 1 63 63 THR H H 63 8.007 8.007 7.756 0.251 25510 2494 1 5 . 1 1 64 64 LYS N N 64 121.300 121.300 122.050 -0.750 25510 2495 1 5 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.094 -0.197 25510 2496 1 5 . 1 1 64 64 LYS C C 64 178.721 178.721 178.477 0.244 25510 2497 1 5 . 1 1 64 64 LYS CA C 64 59.942 59.942 59.303 0.639 25510 2498 1 5 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.811 2.427 25510 2499 1 5 . 1 1 64 64 LYS H H 64 8.771 8.771 7.676 1.095 25510 2500 1 5 . 1 1 65 65 ALA N N 65 121.115 121.115 122.280 -1.165 25510 2501 1 5 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.245 -0.193 25510 2502 1 5 . 1 1 65 65 ALA C C 65 178.759 178.759 179.788 -1.029 25510 2503 1 5 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.030 1.020 25510 2504 1 5 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.232 0.012 25510 2505 1 5 . 1 1 65 65 ALA H H 65 8.598 8.598 8.398 0.200 25510 2506 1 5 . 1 1 66 66 ILE N N 66 118.735 118.735 117.640 1.095 25510 2507 1 5 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.839 -0.190 25510 2508 1 5 . 1 1 66 66 ILE C C 66 177.252 177.252 177.915 -0.663 25510 2509 1 5 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.679 4.280 25510 2510 1 5 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.912 1.137 25510 2511 1 5 . 1 1 66 66 ILE H H 66 8.657 8.657 7.791 0.866 25510 2512 1 5 . 1 1 67 67 ASN N N 67 117.463 117.463 119.075 -1.612 25510 2513 1 5 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.818 -0.411 25510 2514 1 5 . 1 1 67 67 ASN C C 67 178.095 178.095 178.296 -0.201 25510 2515 1 5 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.178 0.391 25510 2516 1 5 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.101 0.280 25510 2517 1 5 . 1 1 67 67 ASN H H 67 7.525 7.525 7.778 -0.253 25510 2518 1 5 . 1 1 68 68 ILE N N 68 120.886 120.886 120.489 0.397 25510 2519 1 5 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.772 -0.526 25510 2520 1 5 . 1 1 68 68 ILE C C 68 177.540 177.540 177.556 -0.016 25510 2521 1 5 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.437 0.779 25510 2522 1 5 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.193 -0.777 25510 2523 1 5 . 1 1 68 68 ILE H H 68 8.170 8.170 7.876 0.294 25510 2524 1 5 . 1 1 69 69 PHE N N 69 117.836 117.836 118.999 -1.163 25510 2525 1 5 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.279 0.119 25510 2526 1 5 . 1 1 69 69 PHE C C 69 178.279 178.279 177.256 1.023 25510 2527 1 5 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.300 1.538 25510 2528 1 5 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.626 -1.632 25510 2529 1 5 . 1 1 69 69 PHE H H 69 8.963 8.963 8.246 0.717 25510 2530 1 5 . 1 1 70 70 GLN N N 70 118.145 118.145 119.305 -1.160 25510 2531 1 5 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.784 0.358 25510 2532 1 5 . 1 1 70 70 GLN C C 70 180.057 180.057 178.192 1.865 25510 2533 1 5 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.760 1.026 25510 2534 1 5 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.387 -0.713 25510 2535 1 5 . 1 1 70 70 GLN H H 70 8.480 8.480 8.475 0.005 25510 2536 1 5 . 1 1 71 71 LYS N N 71 123.368 123.368 117.355 6.013 25510 2537 1 5 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.088 -0.163 25510 2538 1 5 . 1 1 71 71 LYS C C 71 178.755 178.755 177.410 1.345 25510 2539 1 5 . 1 1 71 71 LYS CA C 71 59.502 59.502 57.750 1.752 25510 2540 1 5 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.264 -0.236 25510 2541 1 5 . 1 1 71 71 LYS H H 71 8.099 8.099 7.721 0.378 25510 2542 1 5 . 1 1 72 72 LEU N N 72 117.830 117.830 118.080 -0.250 25510 2543 1 5 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.170 -0.178 25510 2544 1 5 . 1 1 72 72 LEU C C 72 175.462 175.462 177.645 -2.183 25510 2545 1 5 . 1 1 72 72 LEU CA C 72 55.069 55.069 55.975 -0.906 25510 2546 1 5 . 1 1 72 72 LEU CB C 72 42.155 42.155 43.188 -1.033 25510 2547 1 5 . 1 1 72 72 LEU H H 72 7.866 7.866 7.294 0.572 25510 2548 1 5 . 1 1 73 73 ASN N N 73 113.996 113.996 115.264 -1.268 25510 2549 1 5 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.358 -0.019 25510 2550 1 5 . 1 1 73 73 ASN C C 73 175.753 175.753 174.428 1.325 25510 2551 1 5 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.634 0.840 25510 2552 1 5 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.232 -3.753 25510 2553 1 5 . 1 1 73 73 ASN H H 73 8.026 8.026 7.976 0.050 25510 2554 1 5 . 1 1 74 74 TYR N N 74 122.244 122.244 118.600 3.644 25510 2555 1 5 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.822 0.455 25510 2556 1 5 . 1 1 74 74 TYR C C 74 177.548 177.548 175.564 1.984 25510 2557 1 5 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.653 -2.594 25510 2558 1 5 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.185 -2.809 25510 2559 1 5 . 1 1 74 74 TYR H H 74 8.613 8.613 7.040 1.573 25510 2560 1 5 . 1 1 75 75 MET N N 75 117.619 117.619 120.124 -2.505 25510 2561 1 5 . 1 1 75 75 MET HA H 75 4.275 4.275 4.000 0.275 25510 2562 1 5 . 1 1 75 75 MET C C 75 178.716 178.716 175.968 2.748 25510 2563 1 5 . 1 1 75 75 MET CA C 75 57.231 57.231 59.339 -2.108 25510 2564 1 5 . 1 1 75 75 MET CB C 75 30.304 30.304 32.154 -1.850 25510 2565 1 5 . 1 1 75 75 MET H H 75 7.722 7.722 7.952 -0.230 25510 2566 1 5 . 1 1 76 76 HIS N N 76 117.559 117.559 118.398 -0.839 25510 2567 1 5 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.490 -0.023 25510 2568 1 5 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.166 -0.169 25510 2569 1 5 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.757 -2.320 25510 2570 1 5 . 1 1 76 76 HIS H H 76 8.865 8.865 8.256 0.609 25510 2571 1 5 . 1 1 77 77 ILE N N 77 119.750 119.750 120.361 -0.611 25510 2572 1 5 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.752 -0.168 25510 2573 1 5 . 1 1 77 77 ILE C C 77 177.168 177.168 178.268 -1.100 25510 2574 1 5 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.135 0.069 25510 2575 1 5 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.710 0.090 25510 2576 1 5 . 1 1 77 77 ILE H H 77 7.356 7.356 7.543 -0.187 25510 2577 1 5 . 1 1 78 78 ALA N N 78 120.662 120.662 122.145 -1.483 25510 2578 1 5 . 1 1 78 78 ALA HA H 78 3.930 3.930 4.002 -0.072 25510 2579 1 5 . 1 1 78 78 ALA C C 78 178.936 178.936 178.611 0.325 25510 2580 1 5 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.526 0.895 25510 2581 1 5 . 1 1 78 78 ALA CB C 78 18.987 18.987 17.897 1.090 25510 2582 1 5 . 1 1 78 78 ALA H H 78 8.054 8.054 8.312 -0.258 25510 2583 1 5 . 1 1 79 79 ASN N N 79 114.176 114.176 116.917 -2.741 25510 2584 1 5 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.646 -0.202 25510 2585 1 5 . 1 1 79 79 ASN C C 79 177.625 177.625 177.351 0.274 25510 2586 1 5 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.313 -0.262 25510 2587 1 5 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.251 -0.027 25510 2588 1 5 . 1 1 79 79 ASN H H 79 8.531 8.531 7.824 0.707 25510 2589 1 5 . 1 1 80 80 ALA N N 80 123.670 123.670 121.812 1.858 25510 2590 1 5 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.204 -0.076 25510 2591 1 5 . 1 1 80 80 ALA C C 80 180.727 180.727 179.718 1.009 25510 2592 1 5 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.587 0.576 25510 2593 1 5 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.561 -0.299 25510 2594 1 5 . 1 1 80 80 ALA H H 80 7.822 7.822 7.724 0.098 25510 2595 1 5 . 1 1 81 81 LEU N N 81 120.065 120.065 119.244 0.821 25510 2596 1 5 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.078 -0.086 25510 2597 1 5 . 1 1 81 81 LEU C C 81 177.550 177.550 179.369 -1.819 25510 2598 1 5 . 1 1 81 81 LEU CA C 81 57.873 57.873 56.857 1.016 25510 2599 1 5 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.014 1.325 25510 2600 1 5 . 1 1 81 81 LEU H H 81 8.526 8.526 7.653 0.873 25510 2601 1 5 . 1 1 82 82 GLU N N 82 119.844 119.844 118.653 1.191 25510 2602 1 5 . 1 1 82 82 GLU HA H 82 3.995 3.995 4.006 -0.011 25510 2603 1 5 . 1 1 82 82 GLU C C 82 178.510 178.510 178.640 -0.130 25510 2604 1 5 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.204 0.467 25510 2605 1 5 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.944 -0.140 25510 2606 1 5 . 1 1 82 82 GLU H H 82 8.429 8.429 8.316 0.113 25510 2607 1 5 . 1 1 83 83 GLU N N 83 118.585 118.585 119.480 -0.895 25510 2608 1 5 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.172 -0.118 25510 2609 1 5 . 1 1 83 83 GLU C C 83 179.516 179.516 178.588 0.928 25510 2610 1 5 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.377 1.527 25510 2611 1 5 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.803 0.156 25510 2612 1 5 . 1 1 83 83 GLU H H 83 8.138 8.138 8.036 0.102 25510 2613 1 5 . 1 1 84 84 LYS N N 84 119.135 119.135 119.986 -0.851 25510 2614 1 5 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.071 0.049 25510 2615 1 5 . 1 1 84 84 LYS CA C 84 59.708 59.708 59.089 0.619 25510 2616 1 5 . 1 1 84 84 LYS H H 84 8.690 8.690 8.036 0.654 25510 2617 1 5 . 1 1 85 85 LYS N N 85 118.012 118.012 119.212 -1.200 25510 2618 1 5 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.075 0.382 25510 2619 1 5 . 1 1 85 85 LYS H H 85 8.109 8.109 7.539 0.570 25510 2620 1 5 . 1 1 86 86 LYS N N 86 119.839 119.839 117.083 2.756 25510 2621 1 5 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.001 -0.083 25510 2622 1 5 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.946 4.352 25510 2623 1 5 . 1 1 86 86 LYS H H 86 8.577 8.577 7.698 0.879 25510 2624 1 5 . 1 1 87 87 GLU N N 87 119.674 119.674 118.945 0.729 25510 2625 1 5 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.165 -0.174 25510 2626 1 5 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.389 0.850 25510 2627 1 5 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.692 -0.580 25510 2628 1 5 . 1 1 87 87 GLU H H 87 8.402 8.402 7.858 0.544 25510 2629 1 5 . 1 1 88 88 ALA N N 88 121.869 121.869 122.411 -0.542 25510 2630 1 5 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.829 0.253 25510 2631 1 5 . 1 1 88 88 ALA C C 88 179.999 179.999 179.582 0.417 25510 2632 1 5 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.783 0.155 25510 2633 1 5 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.506 0.911 25510 2634 1 5 . 1 1 88 88 ALA H H 88 8.043 8.043 7.544 0.499 25510 2635 1 5 . 1 1 89 89 GLU N N 89 115.931 115.931 117.965 -2.034 25510 2636 1 5 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.933 0.071 25510 2637 1 5 . 1 1 89 89 GLU C C 89 178.454 178.454 179.564 -1.110 25510 2638 1 5 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.324 -0.930 25510 2639 1 5 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.059 0.085 25510 2640 1 5 . 1 1 89 89 GLU H H 89 8.058 8.058 7.882 0.176 25510 2641 1 5 . 1 1 90 90 ARG N N 90 119.607 119.607 117.072 2.535 25510 2642 1 5 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.189 -0.006 25510 2643 1 5 . 1 1 90 90 ARG C C 90 177.870 177.870 178.370 -0.500 25510 2644 1 5 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.362 -0.097 25510 2645 1 5 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.662 0.587 25510 2646 1 5 . 1 1 90 90 ARG H H 90 7.791 7.791 7.889 -0.098 25510 2647 1 5 . 1 1 91 91 LYS N N 91 118.638 118.638 120.520 -1.882 25510 2648 1 5 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.138 0.059 25510 2649 1 5 . 1 1 91 91 LYS C C 91 177.087 177.087 178.188 -1.101 25510 2650 1 5 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.675 -1.069 25510 2651 1 5 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.220 0.400 25510 2652 1 5 . 1 1 91 91 LYS H H 91 7.709 7.709 7.186 0.523 25510 2653 1 5 . 1 1 92 92 LEU N N 92 119.640 119.640 119.320 0.320 25510 2654 1 5 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.235 0.094 25510 2655 1 5 . 1 1 92 92 LEU C C 92 177.464 177.464 177.498 -0.034 25510 2656 1 5 . 1 1 92 92 LEU CA C 92 55.618 55.618 56.012 -0.394 25510 2657 1 5 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.336 1.019 25510 2658 1 5 . 1 1 92 92 LEU H H 92 7.766 7.766 7.813 -0.047 25510 2659 1 5 . 1 1 93 93 MET N N 93 119.121 119.121 116.604 2.517 25510 2660 1 5 . 1 1 93 93 MET HA H 93 4.570 4.570 4.531 0.039 25510 2661 1 5 . 1 1 93 93 MET C C 93 176.224 176.224 177.214 -0.990 25510 2662 1 5 . 1 1 93 93 MET CA C 93 55.648 55.648 54.763 0.885 25510 2663 1 5 . 1 1 93 93 MET CB C 93 32.978 32.978 32.461 0.517 25510 2664 1 5 . 1 1 93 93 MET H H 93 7.973 7.973 7.608 0.365 25510 2665 1 5 . 1 1 94 94 THR N N 94 114.125 114.125 114.744 -0.619 25510 2666 1 5 . 1 1 94 94 THR HA H 94 4.375 4.375 4.469 -0.094 25510 2667 1 5 . 1 1 94 94 THR C C 94 173.550 173.550 173.202 0.348 25510 2668 1 5 . 1 1 94 94 THR CA C 94 61.682 61.682 61.652 0.030 25510 2669 1 5 . 1 1 94 94 THR CB C 94 70.027 70.027 70.666 -0.639 25510 2670 1 5 . 1 1 94 94 THR H H 94 8.025 8.025 7.574 0.451 25510 2671 1 6 . 1 1 2 2 GLU N N 2 119.768 119.768 125.823 -6.055 25510 2672 1 6 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.165 -0.145 25510 2673 1 6 . 1 1 2 2 GLU C C 2 178.535 178.535 177.693 0.842 25510 2674 1 6 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.593 1.156 25510 2675 1 6 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.248 -0.141 25510 2676 1 6 . 1 1 2 2 GLU H H 2 8.426 8.426 9.027 -0.601 25510 2677 1 6 . 1 1 3 3 SER N N 3 113.553 113.553 115.917 -2.364 25510 2678 1 6 . 1 1 3 3 SER HA H 3 4.235 4.235 4.226 0.009 25510 2679 1 6 . 1 1 3 3 SER C C 3 176.578 176.578 176.497 0.081 25510 2680 1 6 . 1 1 3 3 SER CA C 3 61.448 61.448 61.886 -0.438 25510 2681 1 6 . 1 1 3 3 SER CB C 3 62.746 62.746 62.593 0.152 25510 2682 1 6 . 1 1 3 3 SER H H 3 8.151 8.151 8.449 -0.298 25510 2683 1 6 . 1 1 4 4 GLU N N 4 122.599 122.599 123.170 -0.571 25510 2684 1 6 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.111 -0.034 25510 2685 1 6 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.876 0.540 25510 2686 1 6 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.603 -1.342 25510 2687 1 6 . 1 1 4 4 GLU H H 4 8.051 8.051 7.797 0.254 25510 2688 1 6 . 1 1 5 5 TYR N N 5 119.991 119.991 120.340 -0.349 25510 2689 1 6 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.186 0.286 25510 2690 1 6 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.154 -0.241 25510 2691 1 6 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.469 -0.517 25510 2692 1 6 . 1 1 5 5 TYR H H 5 8.339 8.339 7.676 0.663 25510 2693 1 6 . 1 1 6 6 ARG N N 6 120.010 120.010 118.047 1.963 25510 2694 1 6 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.776 -0.017 25510 2695 1 6 . 1 1 6 6 ARG C C 6 177.365 177.365 178.202 -0.837 25510 2696 1 6 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.036 1.625 25510 2697 1 6 . 1 1 6 6 ARG CB C 6 30.338 30.338 30.274 0.064 25510 2698 1 6 . 1 1 6 6 ARG H H 6 8.202 8.202 7.804 0.398 25510 2699 1 6 . 1 1 7 7 GLU N N 7 116.287 116.287 120.618 -4.331 25510 2700 1 6 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.950 0.100 25510 2701 1 6 . 1 1 7 7 GLU C C 7 178.544 178.544 178.547 -0.003 25510 2702 1 6 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.374 0.040 25510 2703 1 6 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.544 -0.521 25510 2704 1 6 . 1 1 7 7 GLU H H 7 8.165 8.165 7.961 0.204 25510 2705 1 6 . 1 1 8 8 MET N N 8 116.181 116.181 118.529 -2.348 25510 2706 1 6 . 1 1 8 8 MET HA H 8 4.411 4.411 4.079 0.332 25510 2707 1 6 . 1 1 8 8 MET C C 8 177.616 177.616 177.690 -0.074 25510 2708 1 6 . 1 1 8 8 MET CA C 8 59.067 59.067 59.110 -0.043 25510 2709 1 6 . 1 1 8 8 MET CB C 8 32.089 32.089 32.602 -0.513 25510 2710 1 6 . 1 1 8 8 MET H H 8 8.168 8.168 7.952 0.216 25510 2711 1 6 . 1 1 9 9 LEU N N 9 122.056 122.056 117.664 4.392 25510 2712 1 6 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.993 -0.012 25510 2713 1 6 . 1 1 9 9 LEU C C 9 177.211 177.211 177.202 0.009 25510 2714 1 6 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.241 1.260 25510 2715 1 6 . 1 1 9 9 LEU CB C 9 42.298 42.298 40.891 1.407 25510 2716 1 6 . 1 1 9 9 LEU H H 9 7.883 7.883 7.423 0.460 25510 2717 1 6 . 1 1 10 10 LEU N N 10 117.952 117.952 116.538 1.414 25510 2718 1 6 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.068 -0.114 25510 2719 1 6 . 1 1 10 10 LEU C C 10 176.132 176.132 179.502 -3.370 25510 2720 1 6 . 1 1 10 10 LEU CA C 10 58.392 58.392 56.650 1.742 25510 2721 1 6 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.100 1.632 25510 2722 1 6 . 1 1 10 10 LEU H H 10 8.011 8.011 7.169 0.842 25510 2723 1 6 . 1 1 11 11 LEU N N 11 116.301 116.301 117.065 -0.764 25510 2724 1 6 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.982 0.169 25510 2725 1 6 . 1 1 11 11 LEU C C 11 179.384 179.384 178.402 0.982 25510 2726 1 6 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.180 -0.240 25510 2727 1 6 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.490 1.177 25510 2728 1 6 . 1 1 11 11 LEU H H 11 8.916 8.916 8.171 0.745 25510 2729 1 6 . 1 1 12 12 THR N N 12 112.429 112.429 110.548 1.881 25510 2730 1 6 . 1 1 12 12 THR HA H 12 4.148 4.148 4.247 -0.099 25510 2731 1 6 . 1 1 12 12 THR C C 12 174.055 174.055 175.789 -1.734 25510 2732 1 6 . 1 1 12 12 THR CA C 12 65.127 65.127 64.326 0.800 25510 2733 1 6 . 1 1 12 12 THR CB C 12 68.421 68.421 68.184 0.237 25510 2734 1 6 . 1 1 12 12 THR H H 12 7.753 7.753 7.702 0.051 25510 2735 1 6 . 1 1 13 13 GLY N N 13 124.320 124.320 109.051 15.269 25510 2736 1 6 . 1 1 13 13 GLY C C 13 173.259 173.259 175.900 -2.641 25510 2737 1 6 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.131 1.303 25510 2738 1 6 . 1 1 13 13 GLY H H 13 7.019 7.019 7.897 -0.878 25510 2739 1 6 . 1 1 14 14 LEU N N 14 121.922 121.922 122.958 -1.036 25510 2740 1 6 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.049 -0.133 25510 2741 1 6 . 1 1 14 14 LEU C C 14 178.842 178.842 178.581 0.261 25510 2742 1 6 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.474 0.576 25510 2743 1 6 . 1 1 14 14 LEU CB C 14 41.826 41.826 40.993 0.833 25510 2744 1 6 . 1 1 14 14 LEU H H 14 8.941 8.941 7.415 1.526 25510 2745 1 6 . 1 1 15 15 ASP N N 15 115.417 115.417 116.630 -1.213 25510 2746 1 6 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.483 0.016 25510 2747 1 6 . 1 1 15 15 ASP C C 15 175.905 175.905 176.584 -0.679 25510 2748 1 6 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.373 -0.568 25510 2749 1 6 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.889 -3.063 25510 2750 1 6 . 1 1 15 15 ASP H H 15 9.012 9.012 7.887 1.125 25510 2751 1 6 . 1 1 16 16 HIS N N 16 114.840 114.840 117.123 -2.283 25510 2752 1 6 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.653 0.081 25510 2753 1 6 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.676 -0.104 25510 2754 1 6 . 1 1 16 16 HIS CB C 16 29.222 29.222 29.951 -0.729 25510 2755 1 6 . 1 1 16 16 HIS H H 16 7.807 7.807 7.616 0.191 25510 2756 1 6 . 1 1 17 17 ILE N N 17 111.347 111.347 114.638 -3.291 25510 2757 1 6 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.799 0.162 25510 2758 1 6 . 1 1 17 17 ILE C C 17 176.154 176.154 174.579 1.575 25510 2759 1 6 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.100 0.412 25510 2760 1 6 . 1 1 17 17 ILE CB C 17 39.674 39.674 41.866 -2.192 25510 2761 1 6 . 1 1 17 17 ILE H H 17 7.041 7.041 7.433 -0.392 25510 2762 1 6 . 1 1 18 18 THR N N 18 114.804 114.804 111.678 3.126 25510 2763 1 6 . 1 1 18 18 THR HA H 18 4.384 4.384 4.544 -0.160 25510 2764 1 6 . 1 1 18 18 THR C C 18 174.991 174.991 175.706 -0.715 25510 2765 1 6 . 1 1 18 18 THR CA C 18 61.063 61.063 60.185 0.878 25510 2766 1 6 . 1 1 18 18 THR CB C 18 71.227 71.227 70.576 0.651 25510 2767 1 6 . 1 1 18 18 THR H H 18 8.672 8.672 8.660 0.012 25510 2768 1 6 . 1 1 19 19 GLU N N 19 119.385 119.385 120.320 -0.935 25510 2769 1 6 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.059 -0.027 25510 2770 1 6 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.176 -0.304 25510 2771 1 6 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.936 0.014 25510 2772 1 6 . 1 1 19 19 GLU H H 19 8.886 8.886 8.908 -0.022 25510 2773 1 6 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.019 0.071 25510 2774 1 6 . 1 1 20 20 GLU C C 20 179.664 179.664 178.599 1.065 25510 2775 1 6 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.110 0.485 25510 2776 1 6 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.978 0.065 25510 2777 1 6 . 1 1 21 21 GLU N N 21 120.346 120.346 119.169 1.177 25510 2778 1 6 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.208 0.062 25510 2779 1 6 . 1 1 21 21 GLU C C 21 179.079 179.079 179.040 0.039 25510 2780 1 6 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.379 0.139 25510 2781 1 6 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.470 0.415 25510 2782 1 6 . 1 1 21 21 GLU H H 21 7.611 7.611 7.841 -0.230 25510 2783 1 6 . 1 1 22 22 LEU N N 22 122.508 122.508 120.002 2.506 25510 2784 1 6 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.089 0.043 25510 2785 1 6 . 1 1 22 22 LEU C C 22 178.698 178.698 178.829 -0.131 25510 2786 1 6 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.097 -0.236 25510 2787 1 6 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.569 0.151 25510 2788 1 6 . 1 1 22 22 LEU H H 22 9.016 9.016 7.329 1.687 25510 2789 1 6 . 1 1 23 23 LYS N N 23 119.162 119.162 117.584 1.578 25510 2790 1 6 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.090 -0.104 25510 2791 1 6 . 1 1 23 23 LYS C C 23 179.624 179.624 179.298 0.326 25510 2792 1 6 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.234 1.457 25510 2793 1 6 . 1 1 23 23 LYS CB C 23 32.394 32.394 31.821 0.573 25510 2794 1 6 . 1 1 23 23 LYS H H 23 7.777 7.777 7.724 0.053 25510 2795 1 6 . 1 1 24 24 ARG N N 24 119.502 119.502 119.504 -0.002 25510 2796 1 6 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.218 -0.017 25510 2797 1 6 . 1 1 24 24 ARG C C 24 178.260 178.260 179.020 -0.760 25510 2798 1 6 . 1 1 24 24 ARG CA C 24 59.232 59.232 58.914 0.318 25510 2799 1 6 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.175 -0.381 25510 2800 1 6 . 1 1 24 24 ARG H H 24 7.397 7.397 7.535 -0.138 25510 2801 1 6 . 1 1 25 25 PHE N N 25 120.567 120.567 122.070 -1.503 25510 2802 1 6 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.420 -0.552 25510 2803 1 6 . 1 1 25 25 PHE C C 25 177.302 177.302 177.172 0.130 25510 2804 1 6 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.184 0.998 25510 2805 1 6 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.329 0.214 25510 2806 1 6 . 1 1 25 25 PHE H H 25 8.798 8.798 8.369 0.429 25510 2807 1 6 . 1 1 26 26 LYS N N 26 117.901 117.901 119.113 -1.212 25510 2808 1 6 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.921 -0.247 25510 2809 1 6 . 1 1 26 26 LYS C C 26 177.118 177.118 179.067 -1.949 25510 2810 1 6 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.002 1.960 25510 2811 1 6 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.935 1.104 25510 2812 1 6 . 1 1 26 26 LYS H H 26 8.841 8.841 8.253 0.588 25510 2813 1 6 . 1 1 27 27 TYR N N 27 118.480 118.480 120.920 -2.440 25510 2814 1 6 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.278 -0.122 25510 2815 1 6 . 1 1 27 27 TYR C C 27 178.460 178.460 177.176 1.284 25510 2816 1 6 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.126 0.331 25510 2817 1 6 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.776 -1.029 25510 2818 1 6 . 1 1 27 27 TYR H H 27 7.645 7.645 7.763 -0.118 25510 2819 1 6 . 1 1 28 28 PHE N N 28 117.525 117.525 118.856 -1.331 25510 2820 1 6 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.156 0.090 25510 2821 1 6 . 1 1 28 28 PHE C C 28 178.827 178.827 176.388 2.439 25510 2822 1 6 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.522 0.280 25510 2823 1 6 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.757 0.320 25510 2824 1 6 . 1 1 28 28 PHE H H 28 7.741 7.741 7.605 0.136 25510 2825 1 6 . 1 1 29 29 ALA N N 29 123.372 123.372 120.296 3.076 25510 2826 1 6 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.224 -0.251 25510 2827 1 6 . 1 1 29 29 ALA C C 29 178.340 178.340 178.050 0.290 25510 2828 1 6 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.785 1.537 25510 2829 1 6 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.174 -1.970 25510 2830 1 6 . 1 1 29 29 ALA H H 29 8.840 8.840 8.019 0.821 25510 2831 1 6 . 1 1 30 30 LEU N N 30 117.039 117.039 119.526 -2.487 25510 2832 1 6 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.933 -0.894 25510 2833 1 6 . 1 1 30 30 LEU C C 30 178.373 178.373 177.025 1.348 25510 2834 1 6 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.463 4.881 25510 2835 1 6 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.595 2.332 25510 2836 1 6 . 1 1 30 30 LEU H H 30 7.443 7.443 7.723 -0.280 25510 2837 1 6 . 1 1 31 31 THR N N 31 125.874 125.874 114.450 11.424 25510 2838 1 6 . 1 1 31 31 THR HA H 31 4.228 4.228 4.069 0.159 25510 2839 1 6 . 1 1 31 31 THR C C 31 176.282 176.282 175.351 0.931 25510 2840 1 6 . 1 1 31 31 THR CA C 31 63.328 63.328 63.709 -0.381 25510 2841 1 6 . 1 1 31 31 THR CB C 31 69.170 69.170 69.588 -0.418 25510 2842 1 6 . 1 1 31 31 THR H H 31 7.014 7.014 7.910 -0.896 25510 2843 1 6 . 1 1 32 32 GLU N N 32 120.558 120.558 119.450 1.108 25510 2844 1 6 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.167 -0.015 25510 2845 1 6 . 1 1 32 32 GLU C C 32 175.968 175.968 177.099 -1.131 25510 2846 1 6 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.221 0.560 25510 2847 1 6 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.831 2.230 25510 2848 1 6 . 1 1 32 32 GLU H H 32 7.808 7.808 8.410 -0.602 25510 2849 1 6 . 1 1 33 33 PHE N N 33 114.045 114.045 118.611 -4.566 25510 2850 1 6 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.452 0.018 25510 2851 1 6 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.812 -1.314 25510 2852 1 6 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.998 1.546 25510 2853 1 6 . 1 1 33 33 PHE H H 33 8.390 8.390 7.564 0.826 25510 2854 1 6 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.962 0.308 25510 2855 1 6 . 1 1 34 34 GLN C C 34 174.516 174.516 174.727 -0.211 25510 2856 1 6 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.214 -0.060 25510 2857 1 6 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.899 -0.578 25510 2858 1 6 . 1 1 34 34 GLN H H 34 7.968 7.968 8.006 -0.038 25510 2859 1 6 . 1 1 35 35 ILE N N 35 119.653 119.653 120.769 -1.116 25510 2860 1 6 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.945 0.426 25510 2861 1 6 . 1 1 35 35 ILE C C 35 173.592 173.592 175.749 -2.157 25510 2862 1 6 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.220 -1.810 25510 2863 1 6 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.993 2.764 25510 2864 1 6 . 1 1 35 35 ILE H H 35 7.455 7.455 8.063 -0.608 25510 2865 1 6 . 1 1 36 36 ALA N N 36 126.668 126.668 130.174 -3.506 25510 2866 1 6 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.300 -0.032 25510 2867 1 6 . 1 1 36 36 ALA C C 36 178.784 178.784 178.226 0.558 25510 2868 1 6 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.421 -0.239 25510 2869 1 6 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.358 -0.093 25510 2870 1 6 . 1 1 36 36 ALA H H 36 8.238 8.238 8.313 -0.075 25510 2871 1 6 . 1 1 37 37 ARG N N 37 123.068 123.068 124.501 -1.433 25510 2872 1 6 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.071 -0.255 25510 2873 1 6 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.546 1.292 25510 2874 1 6 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.916 0.016 25510 2875 1 6 . 1 1 37 37 ARG H H 37 8.820 8.820 8.862 -0.042 25510 2876 1 6 . 1 1 38 38 SER N N 38 112.348 112.348 115.804 -3.456 25510 2877 1 6 . 1 1 38 38 SER HA H 38 4.178 4.178 4.358 -0.180 25510 2878 1 6 . 1 1 38 38 SER C C 38 178.315 178.315 176.247 2.068 25510 2879 1 6 . 1 1 38 38 SER CA C 38 60.772 60.772 61.402 -0.630 25510 2880 1 6 . 1 1 38 38 SER CB C 38 62.061 62.061 62.440 -0.379 25510 2881 1 6 . 1 1 38 38 SER H H 38 8.517 8.517 8.579 -0.062 25510 2882 1 6 . 1 1 39 39 THR N N 39 117.311 117.311 115.861 1.450 25510 2883 1 6 . 1 1 39 39 THR HA H 39 4.025 4.025 4.155 -0.130 25510 2884 1 6 . 1 1 39 39 THR C C 39 175.203 175.203 175.888 -0.685 25510 2885 1 6 . 1 1 39 39 THR CA C 39 64.904 64.904 64.140 0.764 25510 2886 1 6 . 1 1 39 39 THR CB C 39 68.726 68.726 68.181 0.545 25510 2887 1 6 . 1 1 39 39 THR H H 39 7.231 7.231 7.593 -0.362 25510 2888 1 6 . 1 1 40 40 LEU N N 40 118.713 118.713 121.468 -2.755 25510 2889 1 6 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.988 0.043 25510 2890 1 6 . 1 1 40 40 LEU C C 40 177.743 177.743 178.234 -0.491 25510 2891 1 6 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.491 -1.428 25510 2892 1 6 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.402 0.892 25510 2893 1 6 . 1 1 40 40 LEU H H 40 7.552 7.552 7.495 0.057 25510 2894 1 6 . 1 1 41 41 ASP N N 41 119.468 119.468 119.429 0.039 25510 2895 1 6 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.430 0.067 25510 2896 1 6 . 1 1 41 41 ASP C C 41 177.111 177.111 177.407 -0.296 25510 2897 1 6 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.800 -0.206 25510 2898 1 6 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.471 -1.517 25510 2899 1 6 . 1 1 41 41 ASP H H 41 8.153 8.153 7.711 0.442 25510 2900 1 6 . 1 1 42 42 VAL N N 42 111.960 111.960 110.403 1.557 25510 2901 1 6 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.691 -0.363 25510 2902 1 6 . 1 1 42 42 VAL C C 42 175.994 175.994 175.681 0.313 25510 2903 1 6 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.700 0.042 25510 2904 1 6 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.352 0.389 25510 2905 1 6 . 1 1 42 42 VAL H H 42 7.293 7.293 7.770 -0.477 25510 2906 1 6 . 1 1 43 43 ALA N N 43 124.575 124.575 125.081 -0.506 25510 2907 1 6 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.957 0.369 25510 2908 1 6 . 1 1 43 43 ALA C C 43 177.972 177.972 178.787 -0.815 25510 2909 1 6 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.762 -2.684 25510 2910 1 6 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.499 0.952 25510 2911 1 6 . 1 1 43 43 ALA H H 43 7.626 7.626 8.019 -0.393 25510 2912 1 6 . 1 1 44 44 ASP N N 44 119.810 119.810 117.279 2.531 25510 2913 1 6 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.277 -0.217 25510 2914 1 6 . 1 1 44 44 ASP C C 44 179.346 179.346 177.766 1.580 25510 2915 1 6 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.806 1.518 25510 2916 1 6 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.102 -8.170 25510 2917 1 6 . 1 1 44 44 ASP H H 44 8.002 8.002 8.835 -0.833 25510 2918 1 6 . 1 1 45 45 ARG N N 45 123.564 123.564 118.169 5.395 25510 2919 1 6 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.294 -0.525 25510 2920 1 6 . 1 1 45 45 ARG C C 45 177.492 177.492 177.959 -0.467 25510 2921 1 6 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.096 2.713 25510 2922 1 6 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.558 2.456 25510 2923 1 6 . 1 1 45 45 ARG H H 45 8.611 8.611 7.539 1.072 25510 2924 1 6 . 1 1 46 46 THR N N 46 118.315 118.315 110.826 7.489 25510 2925 1 6 . 1 1 46 46 THR HA H 46 4.051 4.051 4.351 -0.300 25510 2926 1 6 . 1 1 46 46 THR C C 46 179.947 179.947 176.286 3.661 25510 2927 1 6 . 1 1 46 46 THR CA C 46 59.605 59.605 64.014 -4.409 25510 2928 1 6 . 1 1 46 46 THR CB C 46 32.375 32.375 69.983 -37.608 25510 2929 1 6 . 1 1 46 46 THR H H 46 8.182 8.182 7.694 0.488 25510 2930 1 6 . 1 1 47 47 GLU N N 47 118.691 118.691 121.836 -3.145 25510 2931 1 6 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.190 -0.168 25510 2932 1 6 . 1 1 47 47 GLU C C 47 179.758 179.758 178.996 0.762 25510 2933 1 6 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.412 -0.213 25510 2934 1 6 . 1 1 47 47 GLU H H 47 8.117 8.117 7.652 0.465 25510 2935 1 6 . 1 1 48 48 LEU N N 48 120.020 120.020 120.856 -0.836 25510 2936 1 6 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.997 -0.238 25510 2937 1 6 . 1 1 48 48 LEU C C 48 177.474 177.474 179.166 -1.692 25510 2938 1 6 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.242 0.332 25510 2939 1 6 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.731 -0.129 25510 2940 1 6 . 1 1 48 48 LEU H H 48 8.355 8.355 8.470 -0.115 25510 2941 1 6 . 1 1 49 49 ALA N N 49 120.164 120.164 121.107 -0.943 25510 2942 1 6 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.830 -0.141 25510 2943 1 6 . 1 1 49 49 ALA C C 49 178.552 178.552 179.181 -0.629 25510 2944 1 6 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.379 0.750 25510 2945 1 6 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.808 -0.172 25510 2946 1 6 . 1 1 49 49 ALA H H 49 8.224 8.224 8.011 0.213 25510 2947 1 6 . 1 1 50 50 ASP N N 50 115.824 115.824 118.223 -2.399 25510 2948 1 6 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.364 0.054 25510 2949 1 6 . 1 1 50 50 ASP C C 50 179.108 179.108 178.189 0.919 25510 2950 1 6 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.089 0.832 25510 2951 1 6 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.042 -1.279 25510 2952 1 6 . 1 1 50 50 ASP H H 50 8.041 8.041 7.620 0.421 25510 2953 1 6 . 1 1 51 51 HIS N N 51 117.866 117.866 120.478 -2.612 25510 2954 1 6 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.530 -0.065 25510 2955 1 6 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.439 -0.949 25510 2956 1 6 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.575 -2.510 25510 2957 1 6 . 1 1 51 51 HIS H H 51 8.541 8.541 8.154 0.387 25510 2958 1 6 . 1 1 52 52 LEU N N 52 120.279 120.279 117.503 2.776 25510 2959 1 6 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.921 -0.295 25510 2960 1 6 . 1 1 52 52 LEU C C 52 178.488 178.488 178.552 -0.064 25510 2961 1 6 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.652 0.728 25510 2962 1 6 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.058 -1.627 25510 2963 1 6 . 1 1 52 52 LEU H H 52 8.529 8.529 8.376 0.153 25510 2964 1 6 . 1 1 53 53 ILE N N 53 119.478 119.478 118.002 1.476 25510 2965 1 6 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.898 -0.459 25510 2966 1 6 . 1 1 53 53 ILE C C 53 178.798 178.798 178.587 0.211 25510 2967 1 6 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.072 2.913 25510 2968 1 6 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.706 0.947 25510 2969 1 6 . 1 1 53 53 ILE H H 53 8.069 8.069 7.464 0.605 25510 2970 1 6 . 1 1 54 54 GLN N N 54 119.904 119.904 117.076 2.828 25510 2971 1 6 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.947 0.073 25510 2972 1 6 . 1 1 54 54 GLN C C 54 177.668 177.668 177.533 0.135 25510 2973 1 6 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.788 0.872 25510 2974 1 6 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.061 0.428 25510 2975 1 6 . 1 1 54 54 GLN H H 54 8.382 8.382 7.601 0.781 25510 2976 1 6 . 1 1 55 55 SER N N 55 110.647 110.647 115.229 -4.582 25510 2977 1 6 . 1 1 55 55 SER HA H 55 4.353 4.353 4.050 0.303 25510 2978 1 6 . 1 1 55 55 SER C C 55 175.910 175.910 174.993 0.917 25510 2979 1 6 . 1 1 55 55 SER CA C 55 61.019 61.019 60.316 0.703 25510 2980 1 6 . 1 1 55 55 SER CB C 55 63.997 63.997 63.197 0.800 25510 2981 1 6 . 1 1 55 55 SER H H 55 7.623 7.623 7.576 0.047 25510 2982 1 6 . 1 1 56 56 ALA N N 56 118.590 118.590 120.160 -1.570 25510 2983 1 6 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.460 0.265 25510 2984 1 6 . 1 1 56 56 ALA C C 56 178.537 178.537 176.816 1.721 25510 2985 1 6 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.275 0.437 25510 2986 1 6 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.563 1.199 25510 2987 1 6 . 1 1 56 56 ALA H H 56 7.908 7.908 7.643 0.265 25510 2988 1 6 . 1 1 57 57 GLY N N 57 109.060 109.060 105.688 3.372 25510 2989 1 6 . 1 1 57 57 GLY C C 57 174.410 174.410 173.476 0.934 25510 2990 1 6 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.889 -0.659 25510 2991 1 6 . 1 1 57 57 GLY H H 57 7.996 7.996 7.619 0.377 25510 2992 1 6 . 1 1 58 58 ALA N N 58 123.460 123.460 123.046 0.414 25510 2993 1 6 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.125 -0.119 25510 2994 1 6 . 1 1 58 58 ALA C C 58 177.285 177.285 179.384 -2.099 25510 2995 1 6 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.116 1.965 25510 2996 1 6 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.028 0.178 25510 2997 1 6 . 1 1 58 58 ALA H H 58 8.710 8.710 8.415 0.295 25510 2998 1 6 . 1 1 59 59 ALA N N 59 118.918 118.918 120.327 -1.409 25510 2999 1 6 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.346 -1.399 25510 3000 1 6 . 1 1 59 59 ALA C C 59 181.017 181.017 179.714 1.303 25510 3001 1 6 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.844 0.549 25510 3002 1 6 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.097 -0.067 25510 3003 1 6 . 1 1 59 59 ALA H H 59 8.272 8.272 8.471 -0.199 25510 3004 1 6 . 1 1 60 60 SER N N 60 112.905 112.905 114.463 -1.558 25510 3005 1 6 . 1 1 60 60 SER HA H 60 4.130 4.130 4.256 -0.126 25510 3006 1 6 . 1 1 60 60 SER C C 60 176.246 176.246 176.516 -0.270 25510 3007 1 6 . 1 1 60 60 SER CA C 60 60.601 60.601 61.023 -0.422 25510 3008 1 6 . 1 1 60 60 SER CB C 60 62.796 62.796 62.631 0.165 25510 3009 1 6 . 1 1 60 60 SER H H 60 8.218 8.218 8.295 -0.077 25510 3010 1 6 . 1 1 61 61 ALA N N 61 121.207 121.207 123.628 -2.421 25510 3011 1 6 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.115 0.041 25510 3012 1 6 . 1 1 61 61 ALA C C 61 179.639 179.639 179.560 0.079 25510 3013 1 6 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.827 0.828 25510 3014 1 6 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.389 0.161 25510 3015 1 6 . 1 1 61 61 ALA H H 61 8.583 8.583 7.519 1.064 25510 3016 1 6 . 1 1 62 62 VAL N N 62 116.024 116.024 117.504 -1.480 25510 3017 1 6 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.623 0.050 25510 3018 1 6 . 1 1 62 62 VAL C C 62 177.567 177.567 178.064 -0.497 25510 3019 1 6 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.864 1.039 25510 3020 1 6 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.365 0.188 25510 3021 1 6 . 1 1 62 62 VAL H H 62 7.517 7.517 7.687 -0.170 25510 3022 1 6 . 1 1 63 63 THR N N 63 117.797 117.797 113.928 3.869 25510 3023 1 6 . 1 1 63 63 THR HA H 63 4.318 4.318 4.143 0.175 25510 3024 1 6 . 1 1 63 63 THR C C 63 176.800 176.800 176.214 0.586 25510 3025 1 6 . 1 1 63 63 THR CA C 63 68.590 68.590 65.788 2.802 25510 3026 1 6 . 1 1 63 63 THR CB C 63 67.818 67.818 68.568 -0.750 25510 3027 1 6 . 1 1 63 63 THR H H 63 8.007 8.007 7.744 0.263 25510 3028 1 6 . 1 1 64 64 LYS N N 64 121.300 121.300 120.996 0.304 25510 3029 1 6 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.185 -0.288 25510 3030 1 6 . 1 1 64 64 LYS C C 64 178.721 178.721 178.612 0.109 25510 3031 1 6 . 1 1 64 64 LYS CA C 64 59.942 59.942 59.012 0.930 25510 3032 1 6 . 1 1 64 64 LYS CB C 64 34.238 34.238 32.065 2.173 25510 3033 1 6 . 1 1 64 64 LYS H H 64 8.771 8.771 7.571 1.200 25510 3034 1 6 . 1 1 65 65 ALA N N 65 121.115 121.115 122.889 -1.774 25510 3035 1 6 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.254 -0.202 25510 3036 1 6 . 1 1 65 65 ALA C C 65 178.759 178.759 179.718 -0.959 25510 3037 1 6 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.225 0.825 25510 3038 1 6 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.200 0.044 25510 3039 1 6 . 1 1 65 65 ALA H H 65 8.598 8.598 8.226 0.372 25510 3040 1 6 . 1 1 66 66 ILE N N 66 118.735 118.735 116.878 1.857 25510 3041 1 6 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.867 -0.218 25510 3042 1 6 . 1 1 66 66 ILE C C 66 177.252 177.252 177.946 -0.694 25510 3043 1 6 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.512 4.447 25510 3044 1 6 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.867 1.182 25510 3045 1 6 . 1 1 66 66 ILE H H 66 8.657 8.657 7.626 1.031 25510 3046 1 6 . 1 1 67 67 ASN N N 67 117.463 117.463 118.959 -1.496 25510 3047 1 6 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.497 -0.090 25510 3048 1 6 . 1 1 67 67 ASN C C 67 178.095 178.095 177.725 0.370 25510 3049 1 6 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.654 -0.085 25510 3050 1 6 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.686 -0.305 25510 3051 1 6 . 1 1 67 67 ASN H H 67 7.525 7.525 7.858 -0.333 25510 3052 1 6 . 1 1 68 68 ILE N N 68 120.886 120.886 120.522 0.364 25510 3053 1 6 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.688 -0.442 25510 3054 1 6 . 1 1 68 68 ILE C C 68 177.540 177.540 177.823 -0.283 25510 3055 1 6 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.142 1.074 25510 3056 1 6 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.191 -0.775 25510 3057 1 6 . 1 1 68 68 ILE H H 68 8.170 8.170 7.732 0.438 25510 3058 1 6 . 1 1 69 69 PHE N N 69 117.836 117.836 119.644 -1.808 25510 3059 1 6 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.273 0.125 25510 3060 1 6 . 1 1 69 69 PHE C C 69 178.279 178.279 177.358 0.921 25510 3061 1 6 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.254 1.583 25510 3062 1 6 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.505 -1.510 25510 3063 1 6 . 1 1 69 69 PHE H H 69 8.963 8.963 8.357 0.606 25510 3064 1 6 . 1 1 70 70 GLN N N 70 118.145 118.145 119.010 -0.865 25510 3065 1 6 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.774 0.368 25510 3066 1 6 . 1 1 70 70 GLN C C 70 180.057 180.057 177.854 2.203 25510 3067 1 6 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.685 1.101 25510 3068 1 6 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.265 -0.592 25510 3069 1 6 . 1 1 70 70 GLN H H 70 8.480 8.480 8.293 0.187 25510 3070 1 6 . 1 1 71 71 LYS N N 71 123.368 123.368 118.164 5.204 25510 3071 1 6 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.055 -0.130 25510 3072 1 6 . 1 1 71 71 LYS C C 71 178.755 178.755 177.319 1.436 25510 3073 1 6 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.127 1.375 25510 3074 1 6 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.280 -0.252 25510 3075 1 6 . 1 1 71 71 LYS H H 71 8.099 8.099 7.488 0.611 25510 3076 1 6 . 1 1 72 72 LEU N N 72 117.830 117.830 117.175 0.655 25510 3077 1 6 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.192 -0.200 25510 3078 1 6 . 1 1 72 72 LEU C C 72 175.462 175.462 177.648 -2.186 25510 3079 1 6 . 1 1 72 72 LEU CA C 72 55.069 55.069 55.970 -0.901 25510 3080 1 6 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.822 -0.667 25510 3081 1 6 . 1 1 72 72 LEU H H 72 7.866 7.866 7.132 0.734 25510 3082 1 6 . 1 1 73 73 ASN N N 73 113.996 113.996 114.568 -0.572 25510 3083 1 6 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.559 -0.220 25510 3084 1 6 . 1 1 73 73 ASN C C 73 175.753 175.753 174.733 1.020 25510 3085 1 6 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.907 0.567 25510 3086 1 6 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.352 -3.873 25510 3087 1 6 . 1 1 73 73 ASN H H 73 8.026 8.026 7.760 0.266 25510 3088 1 6 . 1 1 74 74 TYR N N 74 122.244 122.244 118.380 3.864 25510 3089 1 6 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.870 0.407 25510 3090 1 6 . 1 1 74 74 TYR C C 74 177.548 177.548 175.539 2.009 25510 3091 1 6 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.806 -2.747 25510 3092 1 6 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.242 -2.866 25510 3093 1 6 . 1 1 74 74 TYR H H 74 8.613 8.613 6.992 1.621 25510 3094 1 6 . 1 1 75 75 MET N N 75 117.619 117.619 119.649 -2.030 25510 3095 1 6 . 1 1 75 75 MET HA H 75 4.275 4.275 3.995 0.280 25510 3096 1 6 . 1 1 75 75 MET C C 75 178.716 178.716 176.134 2.582 25510 3097 1 6 . 1 1 75 75 MET CA C 75 57.231 57.231 59.247 -2.016 25510 3098 1 6 . 1 1 75 75 MET CB C 75 30.304 30.304 32.047 -1.743 25510 3099 1 6 . 1 1 75 75 MET H H 75 7.722 7.722 7.885 -0.163 25510 3100 1 6 . 1 1 76 76 HIS N N 76 117.559 117.559 118.386 -0.827 25510 3101 1 6 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.479 -0.012 25510 3102 1 6 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.422 -0.425 25510 3103 1 6 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.433 -1.996 25510 3104 1 6 . 1 1 76 76 HIS H H 76 8.865 8.865 8.085 0.780 25510 3105 1 6 . 1 1 77 77 ILE N N 77 119.750 119.750 120.150 -0.400 25510 3106 1 6 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.717 -0.133 25510 3107 1 6 . 1 1 77 77 ILE C C 77 177.168 177.168 178.053 -0.885 25510 3108 1 6 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.196 0.008 25510 3109 1 6 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.730 0.070 25510 3110 1 6 . 1 1 77 77 ILE H H 77 7.356 7.356 7.580 -0.224 25510 3111 1 6 . 1 1 78 78 ALA N N 78 120.662 120.662 122.111 -1.449 25510 3112 1 6 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.905 0.025 25510 3113 1 6 . 1 1 78 78 ALA C C 78 178.936 178.936 178.634 0.302 25510 3114 1 6 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.762 0.659 25510 3115 1 6 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.056 0.931 25510 3116 1 6 . 1 1 78 78 ALA H H 78 8.054 8.054 8.418 -0.364 25510 3117 1 6 . 1 1 79 79 ASN N N 79 114.176 114.176 117.233 -3.057 25510 3118 1 6 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.720 -0.276 25510 3119 1 6 . 1 1 79 79 ASN C C 79 177.625 177.625 177.552 0.073 25510 3120 1 6 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.907 0.144 25510 3121 1 6 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.034 0.190 25510 3122 1 6 . 1 1 79 79 ASN H H 79 8.531 8.531 7.777 0.754 25510 3123 1 6 . 1 1 80 80 ALA N N 80 123.670 123.670 121.935 1.735 25510 3124 1 6 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.175 -0.047 25510 3125 1 6 . 1 1 80 80 ALA C C 80 180.727 180.727 179.810 0.917 25510 3126 1 6 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.646 0.516 25510 3127 1 6 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.521 -0.259 25510 3128 1 6 . 1 1 80 80 ALA H H 80 7.822 7.822 7.755 0.067 25510 3129 1 6 . 1 1 81 81 LEU N N 81 120.065 120.065 118.581 1.484 25510 3130 1 6 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.973 0.019 25510 3131 1 6 . 1 1 81 81 LEU C C 81 177.550 177.550 179.522 -1.972 25510 3132 1 6 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.372 0.501 25510 3133 1 6 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.969 0.370 25510 3134 1 6 . 1 1 81 81 LEU H H 81 8.526 8.526 7.452 1.074 25510 3135 1 6 . 1 1 82 82 GLU N N 82 119.844 119.844 118.614 1.230 25510 3136 1 6 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.992 0.003 25510 3137 1 6 . 1 1 82 82 GLU C C 82 178.510 178.510 178.848 -0.338 25510 3138 1 6 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.209 0.462 25510 3139 1 6 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.631 0.173 25510 3140 1 6 . 1 1 82 82 GLU H H 82 8.429 8.429 8.819 -0.390 25510 3141 1 6 . 1 1 83 83 GLU N N 83 118.585 118.585 120.838 -2.253 25510 3142 1 6 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.118 -0.064 25510 3143 1 6 . 1 1 83 83 GLU C C 83 179.516 179.516 178.486 1.030 25510 3144 1 6 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.627 1.277 25510 3145 1 6 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.493 -0.534 25510 3146 1 6 . 1 1 83 83 GLU H H 83 8.138 8.138 7.987 0.151 25510 3147 1 6 . 1 1 84 84 LYS N N 84 119.135 119.135 119.439 -0.304 25510 3148 1 6 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.104 0.016 25510 3149 1 6 . 1 1 84 84 LYS CA C 84 59.708 59.708 59.007 0.701 25510 3150 1 6 . 1 1 84 84 LYS H H 84 8.690 8.690 7.843 0.847 25510 3151 1 6 . 1 1 85 85 LYS N N 85 118.012 118.012 118.050 -0.038 25510 3152 1 6 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.115 0.342 25510 3153 1 6 . 1 1 85 85 LYS H H 85 8.109 8.109 7.524 0.585 25510 3154 1 6 . 1 1 86 86 LYS N N 86 119.839 119.839 118.097 1.742 25510 3155 1 6 . 1 1 86 86 LYS HA H 86 3.918 3.918 3.983 -0.065 25510 3156 1 6 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.259 4.039 25510 3157 1 6 . 1 1 86 86 LYS H H 86 8.577 8.577 7.630 0.947 25510 3158 1 6 . 1 1 87 87 GLU N N 87 119.674 119.674 118.660 1.014 25510 3159 1 6 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.146 -0.155 25510 3160 1 6 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.275 0.964 25510 3161 1 6 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.831 -0.719 25510 3162 1 6 . 1 1 87 87 GLU H H 87 8.402 8.402 7.750 0.651 25510 3163 1 6 . 1 1 88 88 ALA N N 88 121.869 121.869 122.476 -0.607 25510 3164 1 6 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.805 0.277 25510 3165 1 6 . 1 1 88 88 ALA C C 88 179.999 179.999 179.531 0.468 25510 3166 1 6 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.757 0.181 25510 3167 1 6 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.417 1.000 25510 3168 1 6 . 1 1 88 88 ALA H H 88 8.043 8.043 7.417 0.626 25510 3169 1 6 . 1 1 89 89 GLU N N 89 115.931 115.931 117.786 -1.855 25510 3170 1 6 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.917 0.087 25510 3171 1 6 . 1 1 89 89 GLU C C 89 178.454 178.454 179.570 -1.116 25510 3172 1 6 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.204 -0.810 25510 3173 1 6 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.001 0.143 25510 3174 1 6 . 1 1 89 89 GLU H H 89 8.058 8.058 7.869 0.189 25510 3175 1 6 . 1 1 90 90 ARG N N 90 119.607 119.607 116.730 2.877 25510 3176 1 6 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.157 0.026 25510 3177 1 6 . 1 1 90 90 ARG C C 90 177.870 177.870 177.695 0.175 25510 3178 1 6 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.557 -0.292 25510 3179 1 6 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.674 0.575 25510 3180 1 6 . 1 1 90 90 ARG H H 90 7.791 7.791 7.686 0.105 25510 3181 1 6 . 1 1 91 91 LYS N N 91 118.638 118.638 119.449 -0.811 25510 3182 1 6 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.079 0.118 25510 3183 1 6 . 1 1 91 91 LYS C C 91 177.087 177.087 177.649 -0.562 25510 3184 1 6 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.795 -1.189 25510 3185 1 6 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.010 0.611 25510 3186 1 6 . 1 1 91 91 LYS H H 91 7.709 7.709 7.209 0.500 25510 3187 1 6 . 1 1 92 92 LEU N N 92 119.640 119.640 117.056 2.584 25510 3188 1 6 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.128 0.201 25510 3189 1 6 . 1 1 92 92 LEU C C 92 177.464 177.464 177.756 -0.292 25510 3190 1 6 . 1 1 92 92 LEU CA C 92 55.618 55.618 56.352 -0.734 25510 3191 1 6 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.993 0.362 25510 3192 1 6 . 1 1 92 92 LEU H H 92 7.766 7.766 7.617 0.149 25510 3193 1 6 . 1 1 93 93 MET N N 93 119.121 119.121 117.474 1.647 25510 3194 1 6 . 1 1 93 93 MET HA H 93 4.570 4.570 4.507 0.063 25510 3195 1 6 . 1 1 93 93 MET C C 93 176.224 176.224 176.550 -0.326 25510 3196 1 6 . 1 1 93 93 MET CA C 93 55.648 55.648 55.973 -0.325 25510 3197 1 6 . 1 1 93 93 MET CB C 93 32.978 32.978 34.667 -1.689 25510 3198 1 6 . 1 1 93 93 MET H H 93 7.973 7.973 7.462 0.511 25510 3199 1 6 . 1 1 94 94 THR N N 94 114.125 114.125 118.717 -4.592 25510 3200 1 6 . 1 1 94 94 THR HA H 94 4.375 4.375 4.207 0.168 25510 3201 1 6 . 1 1 94 94 THR C C 94 173.550 173.550 173.082 0.468 25510 3202 1 6 . 1 1 94 94 THR CA C 94 61.682 61.682 64.672 -2.990 25510 3203 1 6 . 1 1 94 94 THR CB C 94 70.027 70.027 69.266 0.761 25510 3204 1 6 . 1 1 94 94 THR H H 94 8.025 8.025 7.709 0.316 25510 3205 1 7 . 1 1 2 2 GLU N N 2 119.768 119.768 122.731 -2.963 25510 3206 1 7 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.181 -0.161 25510 3207 1 7 . 1 1 2 2 GLU C C 2 178.535 178.535 178.170 0.365 25510 3208 1 7 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.630 1.119 25510 3209 1 7 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.434 -0.327 25510 3210 1 7 . 1 1 2 2 GLU H H 2 8.426 8.426 8.915 -0.489 25510 3211 1 7 . 1 1 3 3 SER N N 3 113.553 113.553 114.996 -1.443 25510 3212 1 7 . 1 1 3 3 SER HA H 3 4.235 4.235 4.239 -0.004 25510 3213 1 7 . 1 1 3 3 SER C C 3 176.578 176.578 176.524 0.054 25510 3214 1 7 . 1 1 3 3 SER CA C 3 61.448 61.448 61.538 -0.089 25510 3215 1 7 . 1 1 3 3 SER CB C 3 62.746 62.746 62.835 -0.089 25510 3216 1 7 . 1 1 3 3 SER H H 3 8.151 8.151 8.253 -0.102 25510 3217 1 7 . 1 1 4 4 GLU N N 4 122.599 122.599 121.262 1.337 25510 3218 1 7 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.199 -0.122 25510 3219 1 7 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.578 0.839 25510 3220 1 7 . 1 1 4 4 GLU CB C 4 28.261 28.261 28.951 -0.690 25510 3221 1 7 . 1 1 4 4 GLU H H 4 8.051 8.051 8.642 -0.591 25510 3222 1 7 . 1 1 5 5 TYR N N 5 119.991 119.991 120.660 -0.669 25510 3223 1 7 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.263 0.209 25510 3224 1 7 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.275 -0.362 25510 3225 1 7 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.779 -0.827 25510 3226 1 7 . 1 1 5 5 TYR H H 5 8.339 8.339 8.038 0.301 25510 3227 1 7 . 1 1 6 6 ARG N N 6 120.010 120.010 118.007 2.003 25510 3228 1 7 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.852 -0.093 25510 3229 1 7 . 1 1 6 6 ARG C C 6 177.365 177.365 178.081 -0.716 25510 3230 1 7 . 1 1 6 6 ARG CA C 6 60.661 60.661 58.988 1.673 25510 3231 1 7 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.749 0.589 25510 3232 1 7 . 1 1 6 6 ARG H H 6 8.202 8.202 8.166 0.036 25510 3233 1 7 . 1 1 7 7 GLU N N 7 116.287 116.287 120.617 -4.330 25510 3234 1 7 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.038 0.012 25510 3235 1 7 . 1 1 7 7 GLU C C 7 178.544 178.544 178.293 0.251 25510 3236 1 7 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.008 0.406 25510 3237 1 7 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.742 -0.719 25510 3238 1 7 . 1 1 7 7 GLU H H 7 8.165 8.165 7.887 0.278 25510 3239 1 7 . 1 1 8 8 MET N N 8 116.181 116.181 119.379 -3.198 25510 3240 1 7 . 1 1 8 8 MET HA H 8 4.411 4.411 4.143 0.268 25510 3241 1 7 . 1 1 8 8 MET C C 8 177.616 177.616 177.880 -0.264 25510 3242 1 7 . 1 1 8 8 MET CA C 8 59.067 59.067 57.958 1.109 25510 3243 1 7 . 1 1 8 8 MET CB C 8 32.089 32.089 32.367 -0.279 25510 3244 1 7 . 1 1 8 8 MET H H 8 8.168 8.168 7.853 0.315 25510 3245 1 7 . 1 1 9 9 LEU N N 9 122.056 122.056 118.283 3.773 25510 3246 1 7 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.903 0.078 25510 3247 1 7 . 1 1 9 9 LEU C C 9 177.211 177.211 177.432 -0.221 25510 3248 1 7 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.215 1.286 25510 3249 1 7 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.617 0.681 25510 3250 1 7 . 1 1 9 9 LEU H H 9 7.883 7.883 7.207 0.676 25510 3251 1 7 . 1 1 10 10 LEU N N 10 117.952 117.952 116.030 1.922 25510 3252 1 7 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.926 0.028 25510 3253 1 7 . 1 1 10 10 LEU C C 10 176.132 176.132 179.148 -3.016 25510 3254 1 7 . 1 1 10 10 LEU CA C 10 58.392 58.392 56.997 1.395 25510 3255 1 7 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.162 1.570 25510 3256 1 7 . 1 1 10 10 LEU H H 10 8.011 8.011 7.069 0.942 25510 3257 1 7 . 1 1 11 11 LEU N N 11 116.301 116.301 118.007 -1.706 25510 3258 1 7 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.985 0.165 25510 3259 1 7 . 1 1 11 11 LEU C C 11 179.384 179.384 178.356 1.028 25510 3260 1 7 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.008 -0.068 25510 3261 1 7 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.767 0.900 25510 3262 1 7 . 1 1 11 11 LEU H H 11 8.916 8.916 8.077 0.839 25510 3263 1 7 . 1 1 12 12 THR N N 12 112.429 112.429 110.348 2.081 25510 3264 1 7 . 1 1 12 12 THR HA H 12 4.148 4.148 4.242 -0.094 25510 3265 1 7 . 1 1 12 12 THR C C 12 174.055 174.055 175.527 -1.472 25510 3266 1 7 . 1 1 12 12 THR CA C 12 65.127 65.127 63.946 1.181 25510 3267 1 7 . 1 1 12 12 THR CB C 12 68.421 68.421 67.980 0.441 25510 3268 1 7 . 1 1 12 12 THR H H 12 7.753 7.753 7.756 -0.003 25510 3269 1 7 . 1 1 13 13 GLY N N 13 124.320 124.320 108.025 16.295 25510 3270 1 7 . 1 1 13 13 GLY C C 13 173.259 173.259 174.669 -1.410 25510 3271 1 7 . 1 1 13 13 GLY CA C 13 46.434 46.434 44.936 1.498 25510 3272 1 7 . 1 1 13 13 GLY H H 13 7.019 7.019 8.004 -0.985 25510 3273 1 7 . 1 1 14 14 LEU N N 14 121.922 121.922 121.971 -0.049 25510 3274 1 7 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.344 -0.428 25510 3275 1 7 . 1 1 14 14 LEU C C 14 178.842 178.842 178.470 0.372 25510 3276 1 7 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.215 0.835 25510 3277 1 7 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.636 0.190 25510 3278 1 7 . 1 1 14 14 LEU H H 14 8.941 8.941 7.368 1.573 25510 3279 1 7 . 1 1 15 15 ASP N N 15 115.417 115.417 118.267 -2.850 25510 3280 1 7 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.492 0.007 25510 3281 1 7 . 1 1 15 15 ASP C C 15 175.905 175.905 176.874 -0.969 25510 3282 1 7 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.855 -1.050 25510 3283 1 7 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.932 -3.106 25510 3284 1 7 . 1 1 15 15 ASP H H 15 9.012 9.012 7.863 1.149 25510 3285 1 7 . 1 1 16 16 HIS N N 16 114.840 114.840 115.649 -0.809 25510 3286 1 7 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.703 0.031 25510 3287 1 7 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.095 -0.523 25510 3288 1 7 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.097 -0.875 25510 3289 1 7 . 1 1 16 16 HIS H H 16 7.807 7.807 8.370 -0.563 25510 3290 1 7 . 1 1 17 17 ILE N N 17 111.347 111.347 114.039 -2.692 25510 3291 1 7 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.664 0.297 25510 3292 1 7 . 1 1 17 17 ILE C C 17 176.154 176.154 174.549 1.605 25510 3293 1 7 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.812 0.700 25510 3294 1 7 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.929 -1.255 25510 3295 1 7 . 1 1 17 17 ILE H H 17 7.041 7.041 7.362 -0.321 25510 3296 1 7 . 1 1 18 18 THR N N 18 114.804 114.804 110.656 4.148 25510 3297 1 7 . 1 1 18 18 THR HA H 18 4.384 4.384 4.556 -0.172 25510 3298 1 7 . 1 1 18 18 THR C C 18 174.991 174.991 176.118 -1.127 25510 3299 1 7 . 1 1 18 18 THR CA C 18 61.063 61.063 60.560 0.503 25510 3300 1 7 . 1 1 18 18 THR CB C 18 71.227 71.227 70.665 0.562 25510 3301 1 7 . 1 1 18 18 THR H H 18 8.672 8.672 8.465 0.207 25510 3302 1 7 . 1 1 19 19 GLU N N 19 119.385 119.385 122.550 -3.165 25510 3303 1 7 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.987 0.045 25510 3304 1 7 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.770 0.102 25510 3305 1 7 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.732 0.219 25510 3306 1 7 . 1 1 19 19 GLU H H 19 8.886 8.886 8.969 -0.083 25510 3307 1 7 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.121 -0.031 25510 3308 1 7 . 1 1 20 20 GLU C C 20 179.664 179.664 178.952 0.712 25510 3309 1 7 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.046 0.549 25510 3310 1 7 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.982 0.061 25510 3311 1 7 . 1 1 21 21 GLU N N 21 120.346 120.346 119.361 0.985 25510 3312 1 7 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.300 -0.030 25510 3313 1 7 . 1 1 21 21 GLU C C 21 179.079 179.079 178.842 0.237 25510 3314 1 7 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.462 1.056 25510 3315 1 7 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.404 0.481 25510 3316 1 7 . 1 1 21 21 GLU H H 21 7.611 7.611 7.602 0.009 25510 3317 1 7 . 1 1 22 22 LEU N N 22 122.508 122.508 120.399 2.109 25510 3318 1 7 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.098 0.034 25510 3319 1 7 . 1 1 22 22 LEU C C 22 178.698 178.698 178.992 -0.294 25510 3320 1 7 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.320 -0.459 25510 3321 1 7 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.644 0.076 25510 3322 1 7 . 1 1 22 22 LEU H H 22 9.016 9.016 7.915 1.101 25510 3323 1 7 . 1 1 23 23 LYS N N 23 119.162 119.162 117.025 2.137 25510 3324 1 7 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.091 -0.105 25510 3325 1 7 . 1 1 23 23 LYS C C 23 179.624 179.624 178.911 0.713 25510 3326 1 7 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.229 1.462 25510 3327 1 7 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.037 0.357 25510 3328 1 7 . 1 1 23 23 LYS H H 23 7.777 7.777 7.791 -0.014 25510 3329 1 7 . 1 1 24 24 ARG N N 24 119.502 119.502 120.026 -0.524 25510 3330 1 7 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.231 -0.030 25510 3331 1 7 . 1 1 24 24 ARG C C 24 178.260 178.260 178.917 -0.657 25510 3332 1 7 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.203 0.028 25510 3333 1 7 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.273 -0.479 25510 3334 1 7 . 1 1 24 24 ARG H H 24 7.397 7.397 7.401 -0.004 25510 3335 1 7 . 1 1 25 25 PHE N N 25 120.567 120.567 120.487 0.080 25510 3336 1 7 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.339 -0.471 25510 3337 1 7 . 1 1 25 25 PHE C C 25 177.302 177.302 177.056 0.246 25510 3338 1 7 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.471 0.710 25510 3339 1 7 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.252 0.291 25510 3340 1 7 . 1 1 25 25 PHE H H 25 8.798 8.798 8.503 0.295 25510 3341 1 7 . 1 1 26 26 LYS N N 26 117.901 117.901 117.861 0.040 25510 3342 1 7 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.852 -0.178 25510 3343 1 7 . 1 1 26 26 LYS C C 26 177.118 177.118 179.064 -1.946 25510 3344 1 7 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.130 1.831 25510 3345 1 7 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.260 0.779 25510 3346 1 7 . 1 1 26 26 LYS H H 26 8.841 8.841 7.925 0.916 25510 3347 1 7 . 1 1 27 27 TYR N N 27 118.480 118.480 121.929 -3.449 25510 3348 1 7 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.190 -0.034 25510 3349 1 7 . 1 1 27 27 TYR C C 27 178.460 178.460 177.119 1.341 25510 3350 1 7 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.117 0.340 25510 3351 1 7 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.632 -0.885 25510 3352 1 7 . 1 1 27 27 TYR H H 27 7.645 7.645 7.748 -0.103 25510 3353 1 7 . 1 1 28 28 PHE N N 28 117.525 117.525 117.197 0.328 25510 3354 1 7 . 1 1 28 28 PHE HA H 28 4.246 4.246 3.923 0.323 25510 3355 1 7 . 1 1 28 28 PHE C C 28 178.827 178.827 177.140 1.687 25510 3356 1 7 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.186 -0.384 25510 3357 1 7 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.014 1.063 25510 3358 1 7 . 1 1 28 28 PHE H H 28 7.741 7.741 7.919 -0.178 25510 3359 1 7 . 1 1 29 29 ALA N N 29 123.372 123.372 119.803 3.569 25510 3360 1 7 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.138 -0.165 25510 3361 1 7 . 1 1 29 29 ALA C C 29 178.340 178.340 177.957 0.383 25510 3362 1 7 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.748 1.574 25510 3363 1 7 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.026 -1.822 25510 3364 1 7 . 1 1 29 29 ALA H H 29 8.840 8.840 7.683 1.157 25510 3365 1 7 . 1 1 30 30 LEU N N 30 117.039 117.039 119.169 -2.130 25510 3366 1 7 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.972 -0.933 25510 3367 1 7 . 1 1 30 30 LEU C C 30 178.373 178.373 176.973 1.400 25510 3368 1 7 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.472 4.872 25510 3369 1 7 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.765 2.162 25510 3370 1 7 . 1 1 30 30 LEU H H 30 7.443 7.443 7.601 -0.158 25510 3371 1 7 . 1 1 31 31 THR N N 31 125.874 125.874 113.701 12.173 25510 3372 1 7 . 1 1 31 31 THR HA H 31 4.228 4.228 4.066 0.162 25510 3373 1 7 . 1 1 31 31 THR C C 31 176.282 176.282 175.435 0.847 25510 3374 1 7 . 1 1 31 31 THR CA C 31 63.328 63.328 63.658 -0.330 25510 3375 1 7 . 1 1 31 31 THR CB C 31 69.170 69.170 69.478 -0.309 25510 3376 1 7 . 1 1 31 31 THR H H 31 7.014 7.014 7.871 -0.857 25510 3377 1 7 . 1 1 32 32 GLU N N 32 120.558 120.558 120.378 0.180 25510 3378 1 7 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.166 -0.014 25510 3379 1 7 . 1 1 32 32 GLU C C 32 175.968 175.968 176.493 -0.525 25510 3380 1 7 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.212 0.569 25510 3381 1 7 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.706 2.354 25510 3382 1 7 . 1 1 32 32 GLU H H 32 7.808 7.808 8.247 -0.439 25510 3383 1 7 . 1 1 33 33 PHE N N 33 114.045 114.045 117.843 -3.798 25510 3384 1 7 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.682 -0.212 25510 3385 1 7 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.354 -0.856 25510 3386 1 7 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.245 1.298 25510 3387 1 7 . 1 1 33 33 PHE H H 33 8.390 8.390 7.340 1.050 25510 3388 1 7 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.974 0.296 25510 3389 1 7 . 1 1 34 34 GLN C C 34 174.516 174.516 175.154 -0.638 25510 3390 1 7 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.076 0.078 25510 3391 1 7 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.688 -0.367 25510 3392 1 7 . 1 1 34 34 GLN H H 34 7.968 7.968 8.175 -0.207 25510 3393 1 7 . 1 1 35 35 ILE N N 35 119.653 119.653 121.133 -1.480 25510 3394 1 7 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.833 0.538 25510 3395 1 7 . 1 1 35 35 ILE C C 35 173.592 173.592 176.272 -2.680 25510 3396 1 7 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.927 -2.517 25510 3397 1 7 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.367 3.389 25510 3398 1 7 . 1 1 35 35 ILE H H 35 7.455 7.455 8.134 -0.679 25510 3399 1 7 . 1 1 36 36 ALA N N 36 126.668 126.668 129.713 -3.045 25510 3400 1 7 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.316 -0.048 25510 3401 1 7 . 1 1 36 36 ALA C C 36 178.784 178.784 178.095 0.689 25510 3402 1 7 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.314 -0.132 25510 3403 1 7 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.812 -0.548 25510 3404 1 7 . 1 1 36 36 ALA H H 36 8.238 8.238 8.387 -0.149 25510 3405 1 7 . 1 1 37 37 ARG N N 37 123.068 123.068 122.753 0.315 25510 3406 1 7 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.041 -0.225 25510 3407 1 7 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.789 1.049 25510 3408 1 7 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.086 -0.154 25510 3409 1 7 . 1 1 37 37 ARG H H 37 8.820 8.820 8.840 -0.020 25510 3410 1 7 . 1 1 38 38 SER N N 38 112.348 112.348 114.785 -2.437 25510 3411 1 7 . 1 1 38 38 SER HA H 38 4.178 4.178 4.265 -0.087 25510 3412 1 7 . 1 1 38 38 SER C C 38 178.315 178.315 176.121 2.194 25510 3413 1 7 . 1 1 38 38 SER CA C 38 60.772 60.772 60.997 -0.225 25510 3414 1 7 . 1 1 38 38 SER CB C 38 62.061 62.061 62.715 -0.654 25510 3415 1 7 . 1 1 38 38 SER H H 38 8.517 8.517 8.436 0.081 25510 3416 1 7 . 1 1 39 39 THR N N 39 117.311 117.311 114.590 2.721 25510 3417 1 7 . 1 1 39 39 THR HA H 39 4.025 4.025 4.056 -0.031 25510 3418 1 7 . 1 1 39 39 THR C C 39 175.203 175.203 176.158 -0.955 25510 3419 1 7 . 1 1 39 39 THR CA C 39 64.904 64.904 64.407 0.497 25510 3420 1 7 . 1 1 39 39 THR CB C 39 68.726 68.726 68.674 0.052 25510 3421 1 7 . 1 1 39 39 THR H H 39 7.231 7.231 7.403 -0.172 25510 3422 1 7 . 1 1 40 40 LEU N N 40 118.713 118.713 121.388 -2.675 25510 3423 1 7 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.974 0.057 25510 3424 1 7 . 1 1 40 40 LEU C C 40 177.743 177.743 178.054 -0.311 25510 3425 1 7 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.722 -1.659 25510 3426 1 7 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.368 0.926 25510 3427 1 7 . 1 1 40 40 LEU H H 40 7.552 7.552 7.687 -0.135 25510 3428 1 7 . 1 1 41 41 ASP N N 41 119.468 119.468 119.243 0.225 25510 3429 1 7 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.419 0.078 25510 3430 1 7 . 1 1 41 41 ASP C C 41 177.111 177.111 177.454 -0.343 25510 3431 1 7 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.952 -0.358 25510 3432 1 7 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.643 -1.689 25510 3433 1 7 . 1 1 41 41 ASP H H 41 8.153 8.153 7.764 0.389 25510 3434 1 7 . 1 1 42 42 VAL N N 42 111.960 111.960 111.365 0.595 25510 3435 1 7 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.579 -0.251 25510 3436 1 7 . 1 1 42 42 VAL C C 42 175.994 175.994 175.908 0.086 25510 3437 1 7 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.700 0.042 25510 3438 1 7 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.751 0.990 25510 3439 1 7 . 1 1 42 42 VAL H H 42 7.293 7.293 7.761 -0.468 25510 3440 1 7 . 1 1 43 43 ALA N N 43 124.575 124.575 125.121 -0.546 25510 3441 1 7 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.907 0.419 25510 3442 1 7 . 1 1 43 43 ALA C C 43 177.972 177.972 178.992 -1.020 25510 3443 1 7 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.866 -2.788 25510 3444 1 7 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.104 1.347 25510 3445 1 7 . 1 1 43 43 ALA H H 43 7.626 7.626 8.312 -0.686 25510 3446 1 7 . 1 1 44 44 ASP N N 44 119.810 119.810 117.234 2.576 25510 3447 1 7 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.300 -0.240 25510 3448 1 7 . 1 1 44 44 ASP C C 44 179.346 179.346 177.935 1.411 25510 3449 1 7 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.804 1.520 25510 3450 1 7 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.095 -8.163 25510 3451 1 7 . 1 1 44 44 ASP H H 44 8.002 8.002 8.869 -0.867 25510 3452 1 7 . 1 1 45 45 ARG N N 45 123.564 123.564 118.843 4.721 25510 3453 1 7 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.308 -0.539 25510 3454 1 7 . 1 1 45 45 ARG C C 45 177.492 177.492 178.104 -0.612 25510 3455 1 7 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.234 2.575 25510 3456 1 7 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.154 2.860 25510 3457 1 7 . 1 1 45 45 ARG H H 45 8.611 8.611 7.512 1.099 25510 3458 1 7 . 1 1 46 46 THR N N 46 118.315 118.315 114.156 4.159 25510 3459 1 7 . 1 1 46 46 THR HA H 46 4.051 4.051 4.291 -0.240 25510 3460 1 7 . 1 1 46 46 THR C C 46 179.947 179.947 176.230 3.717 25510 3461 1 7 . 1 1 46 46 THR CA C 46 59.605 59.605 65.581 -5.976 25510 3462 1 7 . 1 1 46 46 THR CB C 46 32.375 32.375 69.259 -36.884 25510 3463 1 7 . 1 1 46 46 THR H H 46 8.182 8.182 7.656 0.526 25510 3464 1 7 . 1 1 47 47 GLU N N 47 118.691 118.691 121.405 -2.714 25510 3465 1 7 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.204 -0.182 25510 3466 1 7 . 1 1 47 47 GLU C C 47 179.758 179.758 178.960 0.798 25510 3467 1 7 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.536 -0.337 25510 3468 1 7 . 1 1 47 47 GLU H H 47 8.117 8.117 7.679 0.438 25510 3469 1 7 . 1 1 48 48 LEU N N 48 120.020 120.020 121.213 -1.193 25510 3470 1 7 . 1 1 48 48 LEU HA H 48 3.759 3.759 4.054 -0.295 25510 3471 1 7 . 1 1 48 48 LEU C C 48 177.474 177.474 178.853 -1.379 25510 3472 1 7 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.757 0.817 25510 3473 1 7 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.880 -0.278 25510 3474 1 7 . 1 1 48 48 LEU H H 48 8.355 8.355 8.404 -0.049 25510 3475 1 7 . 1 1 49 49 ALA N N 49 120.164 120.164 120.872 -0.708 25510 3476 1 7 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.860 -0.171 25510 3477 1 7 . 1 1 49 49 ALA C C 49 178.552 178.552 179.197 -0.645 25510 3478 1 7 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.372 0.757 25510 3479 1 7 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.934 -0.298 25510 3480 1 7 . 1 1 49 49 ALA H H 49 8.224 8.224 7.747 0.477 25510 3481 1 7 . 1 1 50 50 ASP N N 50 115.824 115.824 117.621 -1.797 25510 3482 1 7 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.330 0.088 25510 3483 1 7 . 1 1 50 50 ASP C C 50 179.108 179.108 178.092 1.016 25510 3484 1 7 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.085 0.836 25510 3485 1 7 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.129 -1.366 25510 3486 1 7 . 1 1 50 50 ASP H H 50 8.041 8.041 7.666 0.375 25510 3487 1 7 . 1 1 51 51 HIS N N 51 117.866 117.866 119.385 -1.519 25510 3488 1 7 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.228 0.237 25510 3489 1 7 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.656 -1.166 25510 3490 1 7 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.267 -2.202 25510 3491 1 7 . 1 1 51 51 HIS H H 51 8.541 8.541 7.904 0.637 25510 3492 1 7 . 1 1 52 52 LEU N N 52 120.279 120.279 118.202 2.077 25510 3493 1 7 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.883 -0.257 25510 3494 1 7 . 1 1 52 52 LEU C C 52 178.488 178.488 178.408 0.080 25510 3495 1 7 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.077 0.303 25510 3496 1 7 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.883 -1.452 25510 3497 1 7 . 1 1 52 52 LEU H H 52 8.529 8.529 8.123 0.406 25510 3498 1 7 . 1 1 53 53 ILE N N 53 119.478 119.478 118.365 1.113 25510 3499 1 7 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.869 -0.430 25510 3500 1 7 . 1 1 53 53 ILE C C 53 178.798 178.798 178.350 0.448 25510 3501 1 7 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.215 0.770 25510 3502 1 7 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.365 0.287 25510 3503 1 7 . 1 1 53 53 ILE H H 53 8.069 8.069 7.484 0.585 25510 3504 1 7 . 1 1 54 54 GLN N N 54 119.904 119.904 118.026 1.878 25510 3505 1 7 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.040 -0.020 25510 3506 1 7 . 1 1 54 54 GLN C C 54 177.668 177.668 177.329 0.339 25510 3507 1 7 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.006 0.654 25510 3508 1 7 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.046 0.443 25510 3509 1 7 . 1 1 54 54 GLN H H 54 8.382 8.382 7.648 0.734 25510 3510 1 7 . 1 1 55 55 SER N N 55 110.647 110.647 114.636 -3.989 25510 3511 1 7 . 1 1 55 55 SER HA H 55 4.353 4.353 4.216 0.137 25510 3512 1 7 . 1 1 55 55 SER C C 55 175.910 175.910 175.128 0.782 25510 3513 1 7 . 1 1 55 55 SER CA C 55 61.019 61.019 60.228 0.791 25510 3514 1 7 . 1 1 55 55 SER CB C 55 63.997 63.997 63.229 0.768 25510 3515 1 7 . 1 1 55 55 SER H H 55 7.623 7.623 7.150 0.473 25510 3516 1 7 . 1 1 56 56 ALA N N 56 118.590 118.590 119.288 -0.698 25510 3517 1 7 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.488 0.237 25510 3518 1 7 . 1 1 56 56 ALA C C 56 178.537 178.537 176.367 2.170 25510 3519 1 7 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.278 0.435 25510 3520 1 7 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.089 0.673 25510 3521 1 7 . 1 1 56 56 ALA H H 56 7.908 7.908 7.487 0.421 25510 3522 1 7 . 1 1 57 57 GLY N N 57 109.060 109.060 106.332 2.728 25510 3523 1 7 . 1 1 57 57 GLY C C 57 174.410 174.410 173.620 0.790 25510 3524 1 7 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.188 -0.957 25510 3525 1 7 . 1 1 57 57 GLY H H 57 7.996 7.996 7.395 0.601 25510 3526 1 7 . 1 1 58 58 ALA N N 58 123.460 123.460 123.224 0.236 25510 3527 1 7 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.101 -0.095 25510 3528 1 7 . 1 1 58 58 ALA C C 58 177.285 177.285 179.106 -1.821 25510 3529 1 7 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.637 2.444 25510 3530 1 7 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.992 0.214 25510 3531 1 7 . 1 1 58 58 ALA H H 58 8.710 8.710 8.638 0.072 25510 3532 1 7 . 1 1 59 59 ALA N N 59 118.918 118.918 120.391 -1.473 25510 3533 1 7 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.229 -1.282 25510 3534 1 7 . 1 1 59 59 ALA C C 59 181.017 181.017 179.462 1.555 25510 3535 1 7 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.737 0.656 25510 3536 1 7 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.747 0.283 25510 3537 1 7 . 1 1 59 59 ALA H H 59 8.272 8.272 8.528 -0.256 25510 3538 1 7 . 1 1 60 60 SER N N 60 112.905 112.905 115.046 -2.141 25510 3539 1 7 . 1 1 60 60 SER HA H 60 4.130 4.130 4.210 -0.080 25510 3540 1 7 . 1 1 60 60 SER C C 60 176.246 176.246 176.604 -0.358 25510 3541 1 7 . 1 1 60 60 SER CA C 60 60.601 60.601 61.980 -1.379 25510 3542 1 7 . 1 1 60 60 SER CB C 60 62.796 62.796 62.691 0.105 25510 3543 1 7 . 1 1 60 60 SER H H 60 8.218 8.218 8.427 -0.209 25510 3544 1 7 . 1 1 61 61 ALA N N 61 121.207 121.207 123.577 -2.370 25510 3545 1 7 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.214 -0.058 25510 3546 1 7 . 1 1 61 61 ALA C C 61 179.639 179.639 179.633 0.006 25510 3547 1 7 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.799 0.856 25510 3548 1 7 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.332 0.218 25510 3549 1 7 . 1 1 61 61 ALA H H 61 8.583 8.583 7.496 1.087 25510 3550 1 7 . 1 1 62 62 VAL N N 62 116.024 116.024 118.075 -2.051 25510 3551 1 7 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.616 0.057 25510 3552 1 7 . 1 1 62 62 VAL C C 62 177.567 177.567 178.088 -0.521 25510 3553 1 7 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.892 1.011 25510 3554 1 7 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.524 0.029 25510 3555 1 7 . 1 1 62 62 VAL H H 62 7.517 7.517 8.032 -0.515 25510 3556 1 7 . 1 1 63 63 THR N N 63 117.797 117.797 112.769 5.028 25510 3557 1 7 . 1 1 63 63 THR HA H 63 4.318 4.318 4.136 0.182 25510 3558 1 7 . 1 1 63 63 THR C C 63 176.800 176.800 176.369 0.431 25510 3559 1 7 . 1 1 63 63 THR CA C 63 68.590 68.590 65.524 3.066 25510 3560 1 7 . 1 1 63 63 THR CB C 63 67.818 67.818 68.767 -0.950 25510 3561 1 7 . 1 1 63 63 THR H H 63 8.007 8.007 7.815 0.192 25510 3562 1 7 . 1 1 64 64 LYS N N 64 121.300 121.300 121.024 0.276 25510 3563 1 7 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.203 -0.306 25510 3564 1 7 . 1 1 64 64 LYS C C 64 178.721 178.721 178.623 0.098 25510 3565 1 7 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.261 1.681 25510 3566 1 7 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.258 2.980 25510 3567 1 7 . 1 1 64 64 LYS H H 64 8.771 8.771 7.494 1.277 25510 3568 1 7 . 1 1 65 65 ALA N N 65 121.115 121.115 122.513 -1.398 25510 3569 1 7 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.306 -0.254 25510 3570 1 7 . 1 1 65 65 ALA C C 65 178.759 178.759 179.580 -0.821 25510 3571 1 7 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.048 1.002 25510 3572 1 7 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.264 -0.020 25510 3573 1 7 . 1 1 65 65 ALA H H 65 8.598 8.598 8.296 0.302 25510 3574 1 7 . 1 1 66 66 ILE N N 66 118.735 118.735 118.299 0.436 25510 3575 1 7 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.826 -0.177 25510 3576 1 7 . 1 1 66 66 ILE C C 66 177.252 177.252 177.562 -0.310 25510 3577 1 7 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.534 4.425 25510 3578 1 7 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.905 1.144 25510 3579 1 7 . 1 1 66 66 ILE H H 66 8.657 8.657 7.530 1.127 25510 3580 1 7 . 1 1 67 67 ASN N N 67 117.463 117.463 119.373 -1.910 25510 3581 1 7 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.695 -0.288 25510 3582 1 7 . 1 1 67 67 ASN C C 67 178.095 178.095 178.025 0.070 25510 3583 1 7 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.530 0.039 25510 3584 1 7 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.792 -0.411 25510 3585 1 7 . 1 1 67 67 ASN H H 67 7.525 7.525 7.757 -0.232 25510 3586 1 7 . 1 1 68 68 ILE N N 68 120.886 120.886 119.943 0.943 25510 3587 1 7 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.821 -0.575 25510 3588 1 7 . 1 1 68 68 ILE C C 68 177.540 177.540 177.743 -0.203 25510 3589 1 7 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.833 1.383 25510 3590 1 7 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.286 -0.870 25510 3591 1 7 . 1 1 68 68 ILE H H 68 8.170 8.170 7.888 0.282 25510 3592 1 7 . 1 1 69 69 PHE N N 69 117.836 117.836 120.060 -2.224 25510 3593 1 7 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.105 0.293 25510 3594 1 7 . 1 1 69 69 PHE C C 69 178.279 178.279 177.053 1.226 25510 3595 1 7 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.894 0.943 25510 3596 1 7 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.118 -1.124 25510 3597 1 7 . 1 1 69 69 PHE H H 69 8.963 8.963 8.207 0.756 25510 3598 1 7 . 1 1 70 70 GLN N N 70 118.145 118.145 118.598 -0.453 25510 3599 1 7 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.870 0.272 25510 3600 1 7 . 1 1 70 70 GLN C C 70 180.057 180.057 177.844 2.213 25510 3601 1 7 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.642 1.144 25510 3602 1 7 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.224 -0.550 25510 3603 1 7 . 1 1 70 70 GLN H H 70 8.480 8.480 8.382 0.098 25510 3604 1 7 . 1 1 71 71 LYS N N 71 123.368 123.368 118.477 4.891 25510 3605 1 7 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.097 -0.172 25510 3606 1 7 . 1 1 71 71 LYS C C 71 178.755 178.755 177.853 0.902 25510 3607 1 7 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.340 1.162 25510 3608 1 7 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.233 -0.205 25510 3609 1 7 . 1 1 71 71 LYS H H 71 8.099 8.099 7.475 0.624 25510 3610 1 7 . 1 1 72 72 LEU N N 72 117.830 117.830 117.439 0.391 25510 3611 1 7 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.161 -0.169 25510 3612 1 7 . 1 1 72 72 LEU C C 72 175.462 175.462 177.595 -2.133 25510 3613 1 7 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.174 -1.105 25510 3614 1 7 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.473 -0.318 25510 3615 1 7 . 1 1 72 72 LEU H H 72 7.866 7.866 7.464 0.402 25510 3616 1 7 . 1 1 73 73 ASN N N 73 113.996 113.996 113.710 0.286 25510 3617 1 7 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.565 -0.226 25510 3618 1 7 . 1 1 73 73 ASN C C 73 175.753 175.753 174.596 1.157 25510 3619 1 7 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.547 0.927 25510 3620 1 7 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.418 -3.939 25510 3621 1 7 . 1 1 73 73 ASN H H 73 8.026 8.026 7.833 0.193 25510 3622 1 7 . 1 1 74 74 TYR N N 74 122.244 122.244 119.075 3.169 25510 3623 1 7 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.903 0.374 25510 3624 1 7 . 1 1 74 74 TYR C C 74 177.548 177.548 175.355 2.193 25510 3625 1 7 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.825 -2.766 25510 3626 1 7 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.289 -2.913 25510 3627 1 7 . 1 1 74 74 TYR H H 74 8.613 8.613 7.242 1.371 25510 3628 1 7 . 1 1 75 75 MET N N 75 117.619 117.619 120.301 -2.682 25510 3629 1 7 . 1 1 75 75 MET HA H 75 4.275 4.275 4.068 0.207 25510 3630 1 7 . 1 1 75 75 MET C C 75 178.716 178.716 175.966 2.750 25510 3631 1 7 . 1 1 75 75 MET CA C 75 57.231 57.231 59.214 -1.983 25510 3632 1 7 . 1 1 75 75 MET CB C 75 30.304 30.304 32.181 -1.877 25510 3633 1 7 . 1 1 75 75 MET H H 75 7.722 7.722 7.978 -0.256 25510 3634 1 7 . 1 1 76 76 HIS N N 76 117.559 117.559 119.774 -2.215 25510 3635 1 7 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.583 -0.116 25510 3636 1 7 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.062 -0.065 25510 3637 1 7 . 1 1 76 76 HIS CB C 76 27.437 27.437 30.058 -2.621 25510 3638 1 7 . 1 1 76 76 HIS H H 76 8.865 8.865 7.921 0.944 25510 3639 1 7 . 1 1 77 77 ILE N N 77 119.750 119.750 120.289 -0.539 25510 3640 1 7 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.780 -0.196 25510 3641 1 7 . 1 1 77 77 ILE C C 77 177.168 177.168 177.180 -0.012 25510 3642 1 7 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.188 1.016 25510 3643 1 7 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.945 -0.145 25510 3644 1 7 . 1 1 77 77 ILE H H 77 7.356 7.356 7.741 -0.385 25510 3645 1 7 . 1 1 78 78 ALA N N 78 120.662 120.662 122.483 -1.821 25510 3646 1 7 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.897 0.034 25510 3647 1 7 . 1 1 78 78 ALA C C 78 178.936 178.936 178.718 0.218 25510 3648 1 7 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.508 0.913 25510 3649 1 7 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.369 0.618 25510 3650 1 7 . 1 1 78 78 ALA H H 78 8.054 8.054 8.154 -0.100 25510 3651 1 7 . 1 1 79 79 ASN N N 79 114.176 114.176 116.063 -1.887 25510 3652 1 7 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.667 -0.223 25510 3653 1 7 . 1 1 79 79 ASN C C 79 177.625 177.625 177.429 0.196 25510 3654 1 7 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.010 0.041 25510 3655 1 7 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.276 -0.052 25510 3656 1 7 . 1 1 79 79 ASN H H 79 8.531 8.531 7.891 0.640 25510 3657 1 7 . 1 1 80 80 ALA N N 80 123.670 123.670 122.874 0.796 25510 3658 1 7 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.421 -0.293 25510 3659 1 7 . 1 1 80 80 ALA C C 80 180.727 180.727 178.910 1.817 25510 3660 1 7 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.222 0.940 25510 3661 1 7 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.808 -0.546 25510 3662 1 7 . 1 1 80 80 ALA H H 80 7.822 7.822 7.388 0.434 25510 3663 1 7 . 1 1 81 81 LEU N N 81 120.065 120.065 119.026 1.039 25510 3664 1 7 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.112 -0.120 25510 3665 1 7 . 1 1 81 81 LEU C C 81 177.550 177.550 179.173 -1.623 25510 3666 1 7 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.118 0.755 25510 3667 1 7 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.528 0.811 25510 3668 1 7 . 1 1 81 81 LEU H H 81 8.526 8.526 7.448 1.078 25510 3669 1 7 . 1 1 82 82 GLU N N 82 119.844 119.844 118.825 1.019 25510 3670 1 7 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.983 0.012 25510 3671 1 7 . 1 1 82 82 GLU C C 82 178.510 178.510 178.652 -0.142 25510 3672 1 7 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.167 0.504 25510 3673 1 7 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.790 0.014 25510 3674 1 7 . 1 1 82 82 GLU H H 82 8.429 8.429 8.565 -0.136 25510 3675 1 7 . 1 1 83 83 GLU N N 83 118.585 118.585 120.498 -1.913 25510 3676 1 7 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.071 -0.017 25510 3677 1 7 . 1 1 83 83 GLU C C 83 179.516 179.516 178.711 0.805 25510 3678 1 7 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.789 1.115 25510 3679 1 7 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.023 -0.064 25510 3680 1 7 . 1 1 83 83 GLU H H 83 8.138 8.138 7.913 0.225 25510 3681 1 7 . 1 1 84 84 LYS N N 84 119.135 119.135 119.695 -0.560 25510 3682 1 7 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.052 0.068 25510 3683 1 7 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.956 0.752 25510 3684 1 7 . 1 1 84 84 LYS H H 84 8.690 8.690 7.969 0.721 25510 3685 1 7 . 1 1 85 85 LYS N N 85 118.012 118.012 118.912 -0.900 25510 3686 1 7 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.099 0.358 25510 3687 1 7 . 1 1 85 85 LYS H H 85 8.109 8.109 7.704 0.405 25510 3688 1 7 . 1 1 86 86 LYS N N 86 119.839 119.839 118.268 1.571 25510 3689 1 7 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.014 -0.096 25510 3690 1 7 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.139 4.159 25510 3691 1 7 . 1 1 86 86 LYS H H 86 8.577 8.577 7.598 0.979 25510 3692 1 7 . 1 1 87 87 GLU N N 87 119.674 119.674 118.604 1.070 25510 3693 1 7 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.129 -0.138 25510 3694 1 7 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.610 0.629 25510 3695 1 7 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.600 -0.488 25510 3696 1 7 . 1 1 87 87 GLU H H 87 8.402 8.402 7.678 0.724 25510 3697 1 7 . 1 1 88 88 ALA N N 88 121.869 121.869 122.361 -0.492 25510 3698 1 7 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.858 0.224 25510 3699 1 7 . 1 1 88 88 ALA C C 88 179.999 179.999 179.536 0.463 25510 3700 1 7 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.787 0.151 25510 3701 1 7 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.567 0.850 25510 3702 1 7 . 1 1 88 88 ALA H H 88 8.043 8.043 7.874 0.169 25510 3703 1 7 . 1 1 89 89 GLU N N 89 115.931 115.931 118.185 -2.254 25510 3704 1 7 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.844 0.160 25510 3705 1 7 . 1 1 89 89 GLU C C 89 178.454 178.454 179.203 -0.749 25510 3706 1 7 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.381 -0.987 25510 3707 1 7 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.075 0.069 25510 3708 1 7 . 1 1 89 89 GLU H H 89 8.058 8.058 7.713 0.345 25510 3709 1 7 . 1 1 90 90 ARG N N 90 119.607 119.607 117.275 2.332 25510 3710 1 7 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.104 0.079 25510 3711 1 7 . 1 1 90 90 ARG C C 90 177.870 177.870 178.155 -0.285 25510 3712 1 7 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.176 0.089 25510 3713 1 7 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.725 0.524 25510 3714 1 7 . 1 1 90 90 ARG H H 90 7.791 7.791 7.740 0.051 25510 3715 1 7 . 1 1 91 91 LYS N N 91 118.638 118.638 118.850 -0.212 25510 3716 1 7 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.099 0.098 25510 3717 1 7 . 1 1 91 91 LYS C C 91 177.087 177.087 179.201 -2.114 25510 3718 1 7 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.643 -1.037 25510 3719 1 7 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.026 0.594 25510 3720 1 7 . 1 1 91 91 LYS H H 91 7.709 7.709 7.212 0.497 25510 3721 1 7 . 1 1 92 92 LEU N N 92 119.640 119.640 119.215 0.425 25510 3722 1 7 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.056 0.273 25510 3723 1 7 . 1 1 92 92 LEU C C 92 177.464 177.464 177.852 -0.388 25510 3724 1 7 . 1 1 92 92 LEU CA C 92 55.618 55.618 56.690 -1.072 25510 3725 1 7 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.206 0.149 25510 3726 1 7 . 1 1 92 92 LEU H H 92 7.766 7.766 7.442 0.324 25510 3727 1 7 . 1 1 93 93 MET N N 93 119.121 119.121 113.754 5.367 25510 3728 1 7 . 1 1 93 93 MET HA H 93 4.570 4.570 4.495 0.075 25510 3729 1 7 . 1 1 93 93 MET C C 93 176.224 176.224 176.101 0.123 25510 3730 1 7 . 1 1 93 93 MET CA C 93 55.648 55.648 54.714 0.934 25510 3731 1 7 . 1 1 93 93 MET CB C 93 32.978 32.978 32.550 0.428 25510 3732 1 7 . 1 1 93 93 MET H H 93 7.973 7.973 7.473 0.500 25510 3733 1 7 . 1 1 94 94 THR N N 94 114.125 114.125 118.203 -4.078 25510 3734 1 7 . 1 1 94 94 THR HA H 94 4.375 4.375 4.255 0.120 25510 3735 1 7 . 1 1 94 94 THR C C 94 173.550 173.550 173.402 0.148 25510 3736 1 7 . 1 1 94 94 THR CA C 94 61.682 61.682 62.867 -1.185 25510 3737 1 7 . 1 1 94 94 THR CB C 94 70.027 70.027 69.568 0.459 25510 3738 1 7 . 1 1 94 94 THR H H 94 8.025 8.025 7.315 0.710 25510 3739 1 8 . 1 1 2 2 GLU N N 2 119.768 119.768 119.952 -0.184 25510 3740 1 8 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.215 -0.195 25510 3741 1 8 . 1 1 2 2 GLU C C 2 178.535 178.535 178.255 0.280 25510 3742 1 8 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.152 1.597 25510 3743 1 8 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.091 0.016 25510 3744 1 8 . 1 1 2 2 GLU H H 2 8.426 8.426 8.944 -0.518 25510 3745 1 8 . 1 1 3 3 SER N N 3 113.553 113.553 115.644 -2.091 25510 3746 1 8 . 1 1 3 3 SER HA H 3 4.235 4.235 4.244 -0.009 25510 3747 1 8 . 1 1 3 3 SER C C 3 176.578 176.578 176.337 0.241 25510 3748 1 8 . 1 1 3 3 SER CA C 3 61.448 61.448 61.238 0.210 25510 3749 1 8 . 1 1 3 3 SER CB C 3 62.746 62.746 62.671 0.075 25510 3750 1 8 . 1 1 3 3 SER H H 3 8.151 8.151 8.324 -0.173 25510 3751 1 8 . 1 1 4 4 GLU N N 4 122.599 122.599 122.589 0.010 25510 3752 1 8 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.105 -0.028 25510 3753 1 8 . 1 1 4 4 GLU CA C 4 59.416 59.416 59.092 0.324 25510 3754 1 8 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.474 -1.213 25510 3755 1 8 . 1 1 4 4 GLU H H 4 8.051 8.051 8.129 -0.078 25510 3756 1 8 . 1 1 5 5 TYR N N 5 119.991 119.991 120.400 -0.409 25510 3757 1 8 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.273 0.199 25510 3758 1 8 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.255 -0.342 25510 3759 1 8 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.595 -0.642 25510 3760 1 8 . 1 1 5 5 TYR H H 5 8.339 8.339 7.747 0.592 25510 3761 1 8 . 1 1 6 6 ARG N N 6 120.010 120.010 117.260 2.750 25510 3762 1 8 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.910 -0.151 25510 3763 1 8 . 1 1 6 6 ARG C C 6 177.365 177.365 178.019 -0.654 25510 3764 1 8 . 1 1 6 6 ARG CA C 6 60.661 60.661 58.833 1.828 25510 3765 1 8 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.705 0.633 25510 3766 1 8 . 1 1 6 6 ARG H H 6 8.202 8.202 7.774 0.428 25510 3767 1 8 . 1 1 7 7 GLU N N 7 116.287 116.287 121.472 -5.185 25510 3768 1 8 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.065 -0.015 25510 3769 1 8 . 1 1 7 7 GLU C C 7 178.544 178.544 178.548 -0.004 25510 3770 1 8 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.239 0.175 25510 3771 1 8 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.913 -0.890 25510 3772 1 8 . 1 1 7 7 GLU H H 7 8.165 8.165 7.593 0.572 25510 3773 1 8 . 1 1 8 8 MET N N 8 116.181 116.181 117.145 -0.964 25510 3774 1 8 . 1 1 8 8 MET HA H 8 4.411 4.411 4.177 0.234 25510 3775 1 8 . 1 1 8 8 MET C C 8 177.616 177.616 178.135 -0.519 25510 3776 1 8 . 1 1 8 8 MET CA C 8 59.067 59.067 59.003 0.064 25510 3777 1 8 . 1 1 8 8 MET CB C 8 32.089 32.089 32.471 -0.383 25510 3778 1 8 . 1 1 8 8 MET H H 8 8.168 8.168 7.807 0.361 25510 3779 1 8 . 1 1 9 9 LEU N N 9 122.056 122.056 119.799 2.257 25510 3780 1 8 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.894 0.087 25510 3781 1 8 . 1 1 9 9 LEU C C 9 177.211 177.211 177.406 -0.195 25510 3782 1 8 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.041 1.460 25510 3783 1 8 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.643 0.655 25510 3784 1 8 . 1 1 9 9 LEU H H 9 7.883 7.883 7.193 0.690 25510 3785 1 8 . 1 1 10 10 LEU N N 10 117.952 117.952 116.360 1.592 25510 3786 1 8 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.905 0.049 25510 3787 1 8 . 1 1 10 10 LEU C C 10 176.132 176.132 179.217 -3.085 25510 3788 1 8 . 1 1 10 10 LEU CA C 10 58.392 58.392 56.961 1.431 25510 3789 1 8 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.365 1.367 25510 3790 1 8 . 1 1 10 10 LEU H H 10 8.011 8.011 7.165 0.846 25510 3791 1 8 . 1 1 11 11 LEU N N 11 116.301 116.301 118.150 -1.849 25510 3792 1 8 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.991 0.159 25510 3793 1 8 . 1 1 11 11 LEU C C 11 179.384 179.384 178.311 1.073 25510 3794 1 8 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.887 0.053 25510 3795 1 8 . 1 1 11 11 LEU CB C 11 41.667 41.667 41.076 0.591 25510 3796 1 8 . 1 1 11 11 LEU H H 11 8.916 8.916 7.787 1.129 25510 3797 1 8 . 1 1 12 12 THR N N 12 112.429 112.429 110.094 2.335 25510 3798 1 8 . 1 1 12 12 THR HA H 12 4.148 4.148 4.102 0.046 25510 3799 1 8 . 1 1 12 12 THR C C 12 174.055 174.055 175.625 -1.570 25510 3800 1 8 . 1 1 12 12 THR CA C 12 65.127 65.127 63.937 1.190 25510 3801 1 8 . 1 1 12 12 THR CB C 12 68.421 68.421 68.247 0.174 25510 3802 1 8 . 1 1 12 12 THR H H 12 7.753 7.753 7.888 -0.135 25510 3803 1 8 . 1 1 13 13 GLY N N 13 124.320 124.320 109.154 15.166 25510 3804 1 8 . 1 1 13 13 GLY C C 13 173.259 173.259 175.138 -1.879 25510 3805 1 8 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.022 1.412 25510 3806 1 8 . 1 1 13 13 GLY H H 13 7.019 7.019 7.750 -0.731 25510 3807 1 8 . 1 1 14 14 LEU N N 14 121.922 121.922 121.381 0.541 25510 3808 1 8 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.077 -0.161 25510 3809 1 8 . 1 1 14 14 LEU C C 14 178.842 178.842 178.777 0.065 25510 3810 1 8 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.802 0.248 25510 3811 1 8 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.025 0.801 25510 3812 1 8 . 1 1 14 14 LEU H H 14 8.941 8.941 7.521 1.420 25510 3813 1 8 . 1 1 15 15 ASP N N 15 115.417 115.417 117.912 -2.495 25510 3814 1 8 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.373 0.126 25510 3815 1 8 . 1 1 15 15 ASP C C 15 175.905 175.905 176.860 -0.955 25510 3816 1 8 . 1 1 15 15 ASP CA C 15 54.805 54.805 56.259 -1.454 25510 3817 1 8 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.747 -2.921 25510 3818 1 8 . 1 1 15 15 ASP H H 15 9.012 9.012 7.616 1.396 25510 3819 1 8 . 1 1 16 16 HIS N N 16 114.840 114.840 117.599 -2.759 25510 3820 1 8 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.515 0.219 25510 3821 1 8 . 1 1 16 16 HIS CA C 16 55.572 55.572 57.778 -2.206 25510 3822 1 8 . 1 1 16 16 HIS CB C 16 29.222 29.222 31.083 -1.861 25510 3823 1 8 . 1 1 16 16 HIS H H 16 7.807 7.807 8.001 -0.194 25510 3824 1 8 . 1 1 17 17 ILE N N 17 111.347 111.347 114.556 -3.209 25510 3825 1 8 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.314 0.647 25510 3826 1 8 . 1 1 17 17 ILE C C 17 176.154 176.154 174.859 1.295 25510 3827 1 8 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.087 0.425 25510 3828 1 8 . 1 1 17 17 ILE CB C 17 39.674 39.674 39.824 -0.150 25510 3829 1 8 . 1 1 17 17 ILE H H 17 7.041 7.041 7.490 -0.449 25510 3830 1 8 . 1 1 18 18 THR N N 18 114.804 114.804 109.793 5.011 25510 3831 1 8 . 1 1 18 18 THR HA H 18 4.384 4.384 4.400 -0.016 25510 3832 1 8 . 1 1 18 18 THR C C 18 174.991 174.991 175.767 -0.776 25510 3833 1 8 . 1 1 18 18 THR CA C 18 61.063 61.063 60.798 0.265 25510 3834 1 8 . 1 1 18 18 THR CB C 18 71.227 71.227 70.497 0.730 25510 3835 1 8 . 1 1 18 18 THR H H 18 8.672 8.672 8.063 0.609 25510 3836 1 8 . 1 1 19 19 GLU N N 19 119.385 119.385 120.921 -1.536 25510 3837 1 8 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.981 0.051 25510 3838 1 8 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.344 -0.472 25510 3839 1 8 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.944 0.007 25510 3840 1 8 . 1 1 19 19 GLU H H 19 8.886 8.886 8.877 0.009 25510 3841 1 8 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.050 0.040 25510 3842 1 8 . 1 1 20 20 GLU C C 20 179.664 179.664 178.970 0.694 25510 3843 1 8 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.117 0.478 25510 3844 1 8 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.884 0.159 25510 3845 1 8 . 1 1 21 21 GLU N N 21 120.346 120.346 118.505 1.841 25510 3846 1 8 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.295 -0.025 25510 3847 1 8 . 1 1 21 21 GLU C C 21 179.079 179.079 178.666 0.413 25510 3848 1 8 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.699 0.819 25510 3849 1 8 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.446 0.439 25510 3850 1 8 . 1 1 21 21 GLU H H 21 7.611 7.611 7.632 -0.021 25510 3851 1 8 . 1 1 22 22 LEU N N 22 122.508 122.508 120.611 1.897 25510 3852 1 8 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.075 0.057 25510 3853 1 8 . 1 1 22 22 LEU C C 22 178.698 178.698 179.002 -0.304 25510 3854 1 8 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.111 -0.250 25510 3855 1 8 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.553 0.167 25510 3856 1 8 . 1 1 22 22 LEU H H 22 9.016 9.016 7.462 1.554 25510 3857 1 8 . 1 1 23 23 LYS N N 23 119.162 119.162 118.514 0.648 25510 3858 1 8 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.087 -0.101 25510 3859 1 8 . 1 1 23 23 LYS C C 23 179.624 179.624 179.301 0.323 25510 3860 1 8 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.764 0.927 25510 3861 1 8 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.066 0.328 25510 3862 1 8 . 1 1 23 23 LYS H H 23 7.777 7.777 7.668 0.109 25510 3863 1 8 . 1 1 24 24 ARG N N 24 119.502 119.502 119.487 0.015 25510 3864 1 8 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.135 0.066 25510 3865 1 8 . 1 1 24 24 ARG C C 24 178.260 178.260 179.027 -0.767 25510 3866 1 8 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.305 -0.073 25510 3867 1 8 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.175 -0.381 25510 3868 1 8 . 1 1 24 24 ARG H H 24 7.397 7.397 7.514 -0.117 25510 3869 1 8 . 1 1 25 25 PHE N N 25 120.567 120.567 121.254 -0.687 25510 3870 1 8 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.324 -0.456 25510 3871 1 8 . 1 1 25 25 PHE C C 25 177.302 177.302 176.939 0.363 25510 3872 1 8 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.486 0.695 25510 3873 1 8 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.262 0.281 25510 3874 1 8 . 1 1 25 25 PHE H H 25 8.798 8.798 8.125 0.673 25510 3875 1 8 . 1 1 26 26 LYS N N 26 117.901 117.901 119.096 -1.195 25510 3876 1 8 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.798 -0.124 25510 3877 1 8 . 1 1 26 26 LYS C C 26 177.118 177.118 179.129 -2.011 25510 3878 1 8 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.789 1.173 25510 3879 1 8 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.406 0.633 25510 3880 1 8 . 1 1 26 26 LYS H H 26 8.841 8.841 7.958 0.883 25510 3881 1 8 . 1 1 27 27 TYR N N 27 118.480 118.480 119.641 -1.161 25510 3882 1 8 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.295 -0.139 25510 3883 1 8 . 1 1 27 27 TYR C C 27 178.460 178.460 176.926 1.534 25510 3884 1 8 . 1 1 27 27 TYR CA C 27 61.457 61.457 60.628 0.829 25510 3885 1 8 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.749 -1.002 25510 3886 1 8 . 1 1 27 27 TYR H H 27 7.645 7.645 8.381 -0.736 25510 3887 1 8 . 1 1 28 28 PHE N N 28 117.525 117.525 119.307 -1.782 25510 3888 1 8 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.035 0.211 25510 3889 1 8 . 1 1 28 28 PHE C C 28 178.827 178.827 176.045 2.782 25510 3890 1 8 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.673 0.129 25510 3891 1 8 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.595 0.482 25510 3892 1 8 . 1 1 28 28 PHE H H 28 7.741 7.741 7.646 0.095 25510 3893 1 8 . 1 1 29 29 ALA N N 29 123.372 123.372 120.153 3.219 25510 3894 1 8 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.182 -0.209 25510 3895 1 8 . 1 1 29 29 ALA C C 29 178.340 178.340 178.253 0.087 25510 3896 1 8 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.727 1.595 25510 3897 1 8 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.195 -1.991 25510 3898 1 8 . 1 1 29 29 ALA H H 29 8.840 8.840 7.647 1.193 25510 3899 1 8 . 1 1 30 30 LEU N N 30 117.039 117.039 120.256 -3.217 25510 3900 1 8 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.778 -0.739 25510 3901 1 8 . 1 1 30 30 LEU C C 30 178.373 178.373 176.393 1.980 25510 3902 1 8 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.995 4.349 25510 3903 1 8 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.853 1.074 25510 3904 1 8 . 1 1 30 30 LEU H H 30 7.443 7.443 7.658 -0.215 25510 3905 1 8 . 1 1 31 31 THR N N 31 125.874 125.874 115.495 10.379 25510 3906 1 8 . 1 1 31 31 THR HA H 31 4.228 4.228 4.002 0.226 25510 3907 1 8 . 1 1 31 31 THR C C 31 176.282 176.282 175.530 0.752 25510 3908 1 8 . 1 1 31 31 THR CA C 31 63.328 63.328 63.570 -0.242 25510 3909 1 8 . 1 1 31 31 THR CB C 31 69.170 69.170 69.355 -0.185 25510 3910 1 8 . 1 1 31 31 THR H H 31 7.014 7.014 7.905 -0.891 25510 3911 1 8 . 1 1 32 32 GLU N N 32 120.558 120.558 120.031 0.527 25510 3912 1 8 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.165 -0.013 25510 3913 1 8 . 1 1 32 32 GLU C C 32 175.968 175.968 176.834 -0.866 25510 3914 1 8 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.542 0.239 25510 3915 1 8 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.695 2.366 25510 3916 1 8 . 1 1 32 32 GLU H H 32 7.808 7.808 8.392 -0.584 25510 3917 1 8 . 1 1 33 33 PHE N N 33 114.045 114.045 117.268 -3.223 25510 3918 1 8 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.525 -0.055 25510 3919 1 8 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.956 -1.458 25510 3920 1 8 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.052 1.491 25510 3921 1 8 . 1 1 33 33 PHE H H 33 8.390 8.390 7.679 0.711 25510 3922 1 8 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.970 0.300 25510 3923 1 8 . 1 1 34 34 GLN C C 34 174.516 174.516 175.331 -0.815 25510 3924 1 8 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.913 0.241 25510 3925 1 8 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.307 0.014 25510 3926 1 8 . 1 1 34 34 GLN H H 34 7.968 7.968 8.176 -0.208 25510 3927 1 8 . 1 1 35 35 ILE N N 35 119.653 119.653 119.659 -0.006 25510 3928 1 8 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.969 0.402 25510 3929 1 8 . 1 1 35 35 ILE C C 35 173.592 173.592 175.828 -2.236 25510 3930 1 8 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.346 -1.936 25510 3931 1 8 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.741 3.016 25510 3932 1 8 . 1 1 35 35 ILE H H 35 7.455 7.455 8.188 -0.733 25510 3933 1 8 . 1 1 36 36 ALA N N 36 126.668 126.668 129.934 -3.266 25510 3934 1 8 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.299 -0.031 25510 3935 1 8 . 1 1 36 36 ALA C C 36 178.784 178.784 177.927 0.857 25510 3936 1 8 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.697 -0.515 25510 3937 1 8 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.440 -0.175 25510 3938 1 8 . 1 1 36 36 ALA H H 36 8.238 8.238 8.307 -0.069 25510 3939 1 8 . 1 1 37 37 ARG N N 37 123.068 123.068 124.795 -1.727 25510 3940 1 8 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.035 -0.219 25510 3941 1 8 . 1 1 37 37 ARG CA C 37 59.838 59.838 59.082 0.756 25510 3942 1 8 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.310 -0.378 25510 3943 1 8 . 1 1 37 37 ARG H H 37 8.820 8.820 8.901 -0.081 25510 3944 1 8 . 1 1 38 38 SER N N 38 112.348 112.348 112.920 -0.572 25510 3945 1 8 . 1 1 38 38 SER HA H 38 4.178 4.178 4.255 -0.077 25510 3946 1 8 . 1 1 38 38 SER C C 38 178.315 178.315 176.257 2.058 25510 3947 1 8 . 1 1 38 38 SER CA C 38 60.772 60.772 61.185 -0.413 25510 3948 1 8 . 1 1 38 38 SER CB C 38 62.061 62.061 62.134 -0.073 25510 3949 1 8 . 1 1 38 38 SER H H 38 8.517 8.517 8.538 -0.021 25510 3950 1 8 . 1 1 39 39 THR N N 39 117.311 117.311 114.261 3.050 25510 3951 1 8 . 1 1 39 39 THR HA H 39 4.025 4.025 4.129 -0.104 25510 3952 1 8 . 1 1 39 39 THR C C 39 175.203 175.203 176.085 -0.882 25510 3953 1 8 . 1 1 39 39 THR CA C 39 64.904 64.904 64.151 0.753 25510 3954 1 8 . 1 1 39 39 THR CB C 39 68.726 68.726 68.485 0.241 25510 3955 1 8 . 1 1 39 39 THR H H 39 7.231 7.231 7.477 -0.246 25510 3956 1 8 . 1 1 40 40 LEU N N 40 118.713 118.713 121.385 -2.672 25510 3957 1 8 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.950 0.081 25510 3958 1 8 . 1 1 40 40 LEU C C 40 177.743 177.743 178.126 -0.383 25510 3959 1 8 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.481 -1.419 25510 3960 1 8 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.455 0.840 25510 3961 1 8 . 1 1 40 40 LEU H H 40 7.552 7.552 7.798 -0.246 25510 3962 1 8 . 1 1 41 41 ASP N N 41 119.468 119.468 119.321 0.147 25510 3963 1 8 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.407 0.090 25510 3964 1 8 . 1 1 41 41 ASP C C 41 177.111 177.111 177.554 -0.443 25510 3965 1 8 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.762 -0.168 25510 3966 1 8 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.519 -1.565 25510 3967 1 8 . 1 1 41 41 ASP H H 41 8.153 8.153 7.677 0.476 25510 3968 1 8 . 1 1 42 42 VAL N N 42 111.960 111.960 111.457 0.503 25510 3969 1 8 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.684 -0.356 25510 3970 1 8 . 1 1 42 42 VAL C C 42 175.994 175.994 176.003 -0.009 25510 3971 1 8 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.513 0.229 25510 3972 1 8 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.161 0.580 25510 3973 1 8 . 1 1 42 42 VAL H H 42 7.293 7.293 7.566 -0.273 25510 3974 1 8 . 1 1 43 43 ALA N N 43 124.575 124.575 125.339 -0.764 25510 3975 1 8 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.863 0.463 25510 3976 1 8 . 1 1 43 43 ALA C C 43 177.972 177.972 178.908 -0.936 25510 3977 1 8 . 1 1 43 43 ALA CA C 43 53.078 53.078 56.116 -3.038 25510 3978 1 8 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.470 0.981 25510 3979 1 8 . 1 1 43 43 ALA H H 43 7.626 7.626 8.126 -0.500 25510 3980 1 8 . 1 1 44 44 ASP N N 44 119.810 119.810 117.486 2.324 25510 3981 1 8 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.292 -0.232 25510 3982 1 8 . 1 1 44 44 ASP C C 44 179.346 179.346 177.753 1.593 25510 3983 1 8 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.664 1.660 25510 3984 1 8 . 1 1 44 44 ASP CB C 44 31.932 31.932 39.841 -7.909 25510 3985 1 8 . 1 1 44 44 ASP H H 44 8.002 8.002 8.828 -0.826 25510 3986 1 8 . 1 1 45 45 ARG N N 45 123.564 123.564 119.172 4.392 25510 3987 1 8 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.296 -0.527 25510 3988 1 8 . 1 1 45 45 ARG C C 45 177.492 177.492 178.301 -0.809 25510 3989 1 8 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.486 2.323 25510 3990 1 8 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.780 2.234 25510 3991 1 8 . 1 1 45 45 ARG H H 45 8.611 8.611 7.687 0.924 25510 3992 1 8 . 1 1 46 46 THR N N 46 118.315 118.315 111.454 6.861 25510 3993 1 8 . 1 1 46 46 THR HA H 46 4.051 4.051 4.277 -0.226 25510 3994 1 8 . 1 1 46 46 THR C C 46 179.947 179.947 176.397 3.550 25510 3995 1 8 . 1 1 46 46 THR CA C 46 59.605 59.605 64.786 -5.181 25510 3996 1 8 . 1 1 46 46 THR CB C 46 32.375 32.375 68.931 -36.556 25510 3997 1 8 . 1 1 46 46 THR H H 46 8.182 8.182 7.729 0.453 25510 3998 1 8 . 1 1 47 47 GLU N N 47 118.691 118.691 121.796 -3.105 25510 3999 1 8 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.207 -0.185 25510 4000 1 8 . 1 1 47 47 GLU C C 47 179.758 179.758 178.841 0.917 25510 4001 1 8 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.338 -0.139 25510 4002 1 8 . 1 1 47 47 GLU H H 47 8.117 8.117 7.750 0.367 25510 4003 1 8 . 1 1 48 48 LEU N N 48 120.020 120.020 121.291 -1.271 25510 4004 1 8 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.939 -0.180 25510 4005 1 8 . 1 1 48 48 LEU C C 48 177.474 177.474 178.648 -1.174 25510 4006 1 8 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.060 0.514 25510 4007 1 8 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.691 -0.088 25510 4008 1 8 . 1 1 48 48 LEU H H 48 8.355 8.355 8.342 0.013 25510 4009 1 8 . 1 1 49 49 ALA N N 49 120.164 120.164 120.847 -0.683 25510 4010 1 8 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.872 -0.183 25510 4011 1 8 . 1 1 49 49 ALA C C 49 178.552 178.552 179.153 -0.601 25510 4012 1 8 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.393 0.736 25510 4013 1 8 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.861 -0.225 25510 4014 1 8 . 1 1 49 49 ALA H H 49 8.224 8.224 7.754 0.470 25510 4015 1 8 . 1 1 50 50 ASP N N 50 115.824 115.824 118.419 -2.595 25510 4016 1 8 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.355 0.063 25510 4017 1 8 . 1 1 50 50 ASP C C 50 179.108 179.108 178.217 0.891 25510 4018 1 8 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.087 0.834 25510 4019 1 8 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.084 -1.321 25510 4020 1 8 . 1 1 50 50 ASP H H 50 8.041 8.041 7.660 0.381 25510 4021 1 8 . 1 1 51 51 HIS N N 51 117.866 117.866 120.348 -2.482 25510 4022 1 8 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.144 0.321 25510 4023 1 8 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.814 -1.324 25510 4024 1 8 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.167 -2.102 25510 4025 1 8 . 1 1 51 51 HIS H H 51 8.541 8.541 8.158 0.383 25510 4026 1 8 . 1 1 52 52 LEU N N 52 120.279 120.279 117.087 3.192 25510 4027 1 8 . 1 1 52 52 LEU HA H 52 3.626 3.626 4.051 -0.425 25510 4028 1 8 . 1 1 52 52 LEU C C 52 178.488 178.488 178.440 0.048 25510 4029 1 8 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.796 0.584 25510 4030 1 8 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.804 -1.373 25510 4031 1 8 . 1 1 52 52 LEU H H 52 8.529 8.529 7.963 0.566 25510 4032 1 8 . 1 1 53 53 ILE N N 53 119.478 119.478 118.612 0.866 25510 4033 1 8 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.770 -0.331 25510 4034 1 8 . 1 1 53 53 ILE C C 53 178.798 178.798 178.563 0.235 25510 4035 1 8 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.672 0.313 25510 4036 1 8 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.478 0.174 25510 4037 1 8 . 1 1 53 53 ILE H H 53 8.069 8.069 7.478 0.591 25510 4038 1 8 . 1 1 54 54 GLN N N 54 119.904 119.904 117.600 2.304 25510 4039 1 8 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.968 0.052 25510 4040 1 8 . 1 1 54 54 GLN C C 54 177.668 177.668 177.205 0.463 25510 4041 1 8 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.103 0.556 25510 4042 1 8 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.250 0.239 25510 4043 1 8 . 1 1 54 54 GLN H H 54 8.382 8.382 7.854 0.528 25510 4044 1 8 . 1 1 55 55 SER N N 55 110.647 110.647 114.689 -4.042 25510 4045 1 8 . 1 1 55 55 SER HA H 55 4.353 4.353 4.149 0.204 25510 4046 1 8 . 1 1 55 55 SER C C 55 175.910 175.910 174.941 0.969 25510 4047 1 8 . 1 1 55 55 SER CA C 55 61.019 61.019 60.111 0.908 25510 4048 1 8 . 1 1 55 55 SER CB C 55 63.997 63.997 63.479 0.518 25510 4049 1 8 . 1 1 55 55 SER H H 55 7.623 7.623 7.402 0.221 25510 4050 1 8 . 1 1 56 56 ALA N N 56 118.590 118.590 119.922 -1.332 25510 4051 1 8 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.511 0.214 25510 4052 1 8 . 1 1 56 56 ALA C C 56 178.537 178.537 176.310 2.227 25510 4053 1 8 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.229 0.483 25510 4054 1 8 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.882 0.880 25510 4055 1 8 . 1 1 56 56 ALA H H 56 7.908 7.908 7.421 0.487 25510 4056 1 8 . 1 1 57 57 GLY N N 57 109.060 109.060 106.307 2.753 25510 4057 1 8 . 1 1 57 57 GLY C C 57 174.410 174.410 173.623 0.787 25510 4058 1 8 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.141 -0.910 25510 4059 1 8 . 1 1 57 57 GLY H H 57 7.996 7.996 7.363 0.633 25510 4060 1 8 . 1 1 58 58 ALA N N 58 123.460 123.460 122.985 0.475 25510 4061 1 8 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.152 -0.146 25510 4062 1 8 . 1 1 58 58 ALA C C 58 177.285 177.285 179.421 -2.136 25510 4063 1 8 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.604 2.477 25510 4064 1 8 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.993 0.213 25510 4065 1 8 . 1 1 58 58 ALA H H 58 8.710 8.710 8.445 0.265 25510 4066 1 8 . 1 1 59 59 ALA N N 59 118.918 118.918 120.679 -1.761 25510 4067 1 8 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.199 -1.252 25510 4068 1 8 . 1 1 59 59 ALA C C 59 181.017 181.017 180.006 1.011 25510 4069 1 8 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.669 0.724 25510 4070 1 8 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.141 -0.111 25510 4071 1 8 . 1 1 59 59 ALA H H 59 8.272 8.272 8.487 -0.215 25510 4072 1 8 . 1 1 60 60 SER N N 60 112.905 112.905 113.832 -0.927 25510 4073 1 8 . 1 1 60 60 SER HA H 60 4.130 4.130 4.199 -0.069 25510 4074 1 8 . 1 1 60 60 SER C C 60 176.246 176.246 176.499 -0.253 25510 4075 1 8 . 1 1 60 60 SER CA C 60 60.601 60.601 61.194 -0.593 25510 4076 1 8 . 1 1 60 60 SER CB C 60 62.796 62.796 62.920 -0.124 25510 4077 1 8 . 1 1 60 60 SER H H 60 8.218 8.218 8.357 -0.139 25510 4078 1 8 . 1 1 61 61 ALA N N 61 121.207 121.207 124.389 -3.182 25510 4079 1 8 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.211 -0.055 25510 4080 1 8 . 1 1 61 61 ALA C C 61 179.639 179.639 179.698 -0.059 25510 4081 1 8 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.843 0.812 25510 4082 1 8 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.491 0.059 25510 4083 1 8 . 1 1 61 61 ALA H H 61 8.583 8.583 7.513 1.070 25510 4084 1 8 . 1 1 62 62 VAL N N 62 116.024 116.024 117.346 -1.322 25510 4085 1 8 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.550 0.123 25510 4086 1 8 . 1 1 62 62 VAL C C 62 177.567 177.567 178.125 -0.558 25510 4087 1 8 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.285 1.617 25510 4088 1 8 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.620 -0.067 25510 4089 1 8 . 1 1 62 62 VAL H H 62 7.517 7.517 8.035 -0.518 25510 4090 1 8 . 1 1 63 63 THR N N 63 117.797 117.797 115.277 2.520 25510 4091 1 8 . 1 1 63 63 THR HA H 63 4.318 4.318 4.151 0.167 25510 4092 1 8 . 1 1 63 63 THR C C 63 176.800 176.800 176.690 0.110 25510 4093 1 8 . 1 1 63 63 THR CA C 63 68.590 68.590 66.660 1.930 25510 4094 1 8 . 1 1 63 63 THR CB C 63 67.818 67.818 69.003 -1.185 25510 4095 1 8 . 1 1 63 63 THR H H 63 8.007 8.007 7.592 0.415 25510 4096 1 8 . 1 1 64 64 LYS N N 64 121.300 121.300 121.814 -0.514 25510 4097 1 8 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.125 -0.228 25510 4098 1 8 . 1 1 64 64 LYS C C 64 178.721 178.721 178.539 0.182 25510 4099 1 8 . 1 1 64 64 LYS CA C 64 59.942 59.942 59.130 0.812 25510 4100 1 8 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.859 2.379 25510 4101 1 8 . 1 1 64 64 LYS H H 64 8.771 8.771 7.629 1.142 25510 4102 1 8 . 1 1 65 65 ALA N N 65 121.115 121.115 122.557 -1.442 25510 4103 1 8 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.289 -0.237 25510 4104 1 8 . 1 1 65 65 ALA C C 65 178.759 178.759 179.773 -1.014 25510 4105 1 8 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.077 0.973 25510 4106 1 8 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.274 -0.031 25510 4107 1 8 . 1 1 65 65 ALA H H 65 8.598 8.598 8.479 0.119 25510 4108 1 8 . 1 1 66 66 ILE N N 66 118.735 118.735 117.941 0.794 25510 4109 1 8 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.797 -0.148 25510 4110 1 8 . 1 1 66 66 ILE C C 66 177.252 177.252 177.874 -0.622 25510 4111 1 8 . 1 1 66 66 ILE CA C 66 67.959 67.959 64.017 3.942 25510 4112 1 8 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.139 0.910 25510 4113 1 8 . 1 1 66 66 ILE H H 66 8.657 8.657 7.700 0.957 25510 4114 1 8 . 1 1 67 67 ASN N N 67 117.463 117.463 118.518 -1.055 25510 4115 1 8 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.508 -0.101 25510 4116 1 8 . 1 1 67 67 ASN C C 67 178.095 178.095 178.099 -0.004 25510 4117 1 8 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.440 0.129 25510 4118 1 8 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.566 -0.185 25510 4119 1 8 . 1 1 67 67 ASN H H 67 7.525 7.525 7.709 -0.184 25510 4120 1 8 . 1 1 68 68 ILE N N 68 120.886 120.886 120.370 0.516 25510 4121 1 8 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.808 -0.562 25510 4122 1 8 . 1 1 68 68 ILE C C 68 177.540 177.540 177.427 0.113 25510 4123 1 8 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.045 1.171 25510 4124 1 8 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.299 -0.883 25510 4125 1 8 . 1 1 68 68 ILE H H 68 8.170 8.170 7.997 0.173 25510 4126 1 8 . 1 1 69 69 PHE N N 69 117.836 117.836 119.896 -2.060 25510 4127 1 8 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.324 0.074 25510 4128 1 8 . 1 1 69 69 PHE C C 69 178.279 178.279 177.027 1.252 25510 4129 1 8 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.344 1.493 25510 4130 1 8 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.781 -1.787 25510 4131 1 8 . 1 1 69 69 PHE H H 69 8.963 8.963 8.366 0.597 25510 4132 1 8 . 1 1 70 70 GLN N N 70 118.145 118.145 119.172 -1.027 25510 4133 1 8 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.855 0.287 25510 4134 1 8 . 1 1 70 70 GLN C C 70 180.057 180.057 177.829 2.228 25510 4135 1 8 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.705 1.081 25510 4136 1 8 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.275 -0.602 25510 4137 1 8 . 1 1 70 70 GLN H H 70 8.480 8.480 8.516 -0.036 25510 4138 1 8 . 1 1 71 71 LYS N N 71 123.368 123.368 118.815 4.553 25510 4139 1 8 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.087 -0.162 25510 4140 1 8 . 1 1 71 71 LYS C C 71 178.755 178.755 177.437 1.318 25510 4141 1 8 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.295 1.206 25510 4142 1 8 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.264 -0.236 25510 4143 1 8 . 1 1 71 71 LYS H H 71 8.099 8.099 7.496 0.603 25510 4144 1 8 . 1 1 72 72 LEU N N 72 117.830 117.830 117.636 0.194 25510 4145 1 8 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.145 -0.153 25510 4146 1 8 . 1 1 72 72 LEU C C 72 175.462 175.462 177.637 -2.175 25510 4147 1 8 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.283 -1.214 25510 4148 1 8 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.186 -0.031 25510 4149 1 8 . 1 1 72 72 LEU H H 72 7.866 7.866 7.120 0.746 25510 4150 1 8 . 1 1 73 73 ASN N N 73 113.996 113.996 114.138 -0.142 25510 4151 1 8 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.677 -0.338 25510 4152 1 8 . 1 1 73 73 ASN C C 73 175.753 175.753 174.992 0.761 25510 4153 1 8 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.715 0.759 25510 4154 1 8 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.145 -3.666 25510 4155 1 8 . 1 1 73 73 ASN H H 73 8.026 8.026 7.610 0.416 25510 4156 1 8 . 1 1 74 74 TYR N N 74 122.244 122.244 119.282 2.962 25510 4157 1 8 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.890 0.387 25510 4158 1 8 . 1 1 74 74 TYR C C 74 177.548 177.548 175.353 2.195 25510 4159 1 8 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.880 -2.821 25510 4160 1 8 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.329 -2.953 25510 4161 1 8 . 1 1 74 74 TYR H H 74 8.613 8.613 7.204 1.409 25510 4162 1 8 . 1 1 75 75 MET N N 75 117.619 117.619 120.130 -2.511 25510 4163 1 8 . 1 1 75 75 MET HA H 75 4.275 4.275 4.071 0.204 25510 4164 1 8 . 1 1 75 75 MET C C 75 178.716 178.716 176.050 2.666 25510 4165 1 8 . 1 1 75 75 MET CA C 75 57.231 57.231 58.973 -1.742 25510 4166 1 8 . 1 1 75 75 MET CB C 75 30.304 30.304 32.178 -1.874 25510 4167 1 8 . 1 1 75 75 MET H H 75 7.722 7.722 7.980 -0.258 25510 4168 1 8 . 1 1 76 76 HIS N N 76 117.559 117.559 119.790 -2.231 25510 4169 1 8 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.457 0.010 25510 4170 1 8 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.041 -0.043 25510 4171 1 8 . 1 1 76 76 HIS CB C 76 27.437 27.437 30.185 -2.748 25510 4172 1 8 . 1 1 76 76 HIS H H 76 8.865 8.865 7.890 0.975 25510 4173 1 8 . 1 1 77 77 ILE N N 77 119.750 119.750 120.257 -0.507 25510 4174 1 8 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.750 -0.166 25510 4175 1 8 . 1 1 77 77 ILE C C 77 177.168 177.168 177.179 -0.011 25510 4176 1 8 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.276 0.928 25510 4177 1 8 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.872 -0.072 25510 4178 1 8 . 1 1 77 77 ILE H H 77 7.356 7.356 7.755 -0.400 25510 4179 1 8 . 1 1 78 78 ALA N N 78 120.662 120.662 122.038 -1.376 25510 4180 1 8 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.915 0.015 25510 4181 1 8 . 1 1 78 78 ALA C C 78 178.936 178.936 178.596 0.340 25510 4182 1 8 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.489 0.932 25510 4183 1 8 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.167 0.820 25510 4184 1 8 . 1 1 78 78 ALA H H 78 8.054 8.054 7.937 0.117 25510 4185 1 8 . 1 1 79 79 ASN N N 79 114.176 114.176 117.119 -2.943 25510 4186 1 8 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.652 -0.208 25510 4187 1 8 . 1 1 79 79 ASN C C 79 177.625 177.625 177.289 0.336 25510 4188 1 8 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.960 0.091 25510 4189 1 8 . 1 1 79 79 ASN CB C 79 38.224 38.224 37.977 0.247 25510 4190 1 8 . 1 1 79 79 ASN H H 79 8.531 8.531 7.942 0.589 25510 4191 1 8 . 1 1 80 80 ALA N N 80 123.670 123.670 121.151 2.519 25510 4192 1 8 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.394 -0.266 25510 4193 1 8 . 1 1 80 80 ALA C C 80 180.727 180.727 179.046 1.681 25510 4194 1 8 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.036 1.126 25510 4195 1 8 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.581 -0.319 25510 4196 1 8 . 1 1 80 80 ALA H H 80 7.822 7.822 7.320 0.502 25510 4197 1 8 . 1 1 81 81 LEU N N 81 120.065 120.065 119.358 0.707 25510 4198 1 8 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.092 -0.100 25510 4199 1 8 . 1 1 81 81 LEU C C 81 177.550 177.550 178.743 -1.193 25510 4200 1 8 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.312 0.561 25510 4201 1 8 . 1 1 81 81 LEU CB C 81 42.339 42.339 42.056 0.283 25510 4202 1 8 . 1 1 81 81 LEU H H 81 8.526 8.526 7.374 1.152 25510 4203 1 8 . 1 1 82 82 GLU N N 82 119.844 119.844 119.205 0.639 25510 4204 1 8 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.971 0.024 25510 4205 1 8 . 1 1 82 82 GLU C C 82 178.510 178.510 178.531 -0.021 25510 4206 1 8 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.243 0.428 25510 4207 1 8 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.779 0.025 25510 4208 1 8 . 1 1 82 82 GLU H H 82 8.429 8.429 8.597 -0.168 25510 4209 1 8 . 1 1 83 83 GLU N N 83 118.585 118.585 120.237 -1.652 25510 4210 1 8 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.061 -0.007 25510 4211 1 8 . 1 1 83 83 GLU C C 83 179.516 179.516 178.805 0.711 25510 4212 1 8 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.806 1.098 25510 4213 1 8 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.025 -0.066 25510 4214 1 8 . 1 1 83 83 GLU H H 83 8.138 8.138 7.966 0.172 25510 4215 1 8 . 1 1 84 84 LYS N N 84 119.135 119.135 119.709 -0.574 25510 4216 1 8 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.093 0.027 25510 4217 1 8 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.255 1.453 25510 4218 1 8 . 1 1 84 84 LYS H H 84 8.690 8.690 7.941 0.749 25510 4219 1 8 . 1 1 85 85 LYS N N 85 118.012 118.012 118.919 -0.907 25510 4220 1 8 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.065 0.392 25510 4221 1 8 . 1 1 85 85 LYS H H 85 8.109 8.109 7.803 0.306 25510 4222 1 8 . 1 1 86 86 LYS N N 86 119.839 119.839 116.622 3.217 25510 4223 1 8 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.159 -0.241 25510 4224 1 8 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.653 4.645 25510 4225 1 8 . 1 1 86 86 LYS H H 86 8.577 8.577 7.563 1.014 25510 4226 1 8 . 1 1 87 87 GLU N N 87 119.674 119.674 118.813 0.861 25510 4227 1 8 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.172 -0.181 25510 4228 1 8 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.358 0.881 25510 4229 1 8 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.762 -0.650 25510 4230 1 8 . 1 1 87 87 GLU H H 87 8.402 8.402 7.800 0.603 25510 4231 1 8 . 1 1 88 88 ALA N N 88 121.869 121.869 121.736 0.133 25510 4232 1 8 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.807 0.275 25510 4233 1 8 . 1 1 88 88 ALA C C 88 179.999 179.999 179.094 0.905 25510 4234 1 8 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.862 0.076 25510 4235 1 8 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.668 0.749 25510 4236 1 8 . 1 1 88 88 ALA H H 88 8.043 8.043 7.643 0.400 25510 4237 1 8 . 1 1 89 89 GLU N N 89 115.931 115.931 117.861 -1.930 25510 4238 1 8 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.890 0.114 25510 4239 1 8 . 1 1 89 89 GLU C C 89 178.454 178.454 179.455 -1.001 25510 4240 1 8 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.385 -0.991 25510 4241 1 8 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.229 -0.085 25510 4242 1 8 . 1 1 89 89 GLU H H 89 8.058 8.058 7.962 0.096 25510 4243 1 8 . 1 1 90 90 ARG N N 90 119.607 119.607 116.762 2.845 25510 4244 1 8 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.220 -0.037 25510 4245 1 8 . 1 1 90 90 ARG C C 90 177.870 177.870 177.946 -0.076 25510 4246 1 8 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.149 0.116 25510 4247 1 8 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.904 0.345 25510 4248 1 8 . 1 1 90 90 ARG H H 90 7.791 7.791 7.660 0.131 25510 4249 1 8 . 1 1 91 91 LYS N N 91 118.638 118.638 118.763 -0.125 25510 4250 1 8 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.190 0.007 25510 4251 1 8 . 1 1 91 91 LYS C C 91 177.087 177.087 177.055 0.032 25510 4252 1 8 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.237 -0.631 25510 4253 1 8 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.524 0.096 25510 4254 1 8 . 1 1 91 91 LYS H H 91 7.709 7.709 7.180 0.529 25510 4255 1 8 . 1 1 92 92 LEU N N 92 119.640 119.640 117.598 2.042 25510 4256 1 8 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.351 -0.022 25510 4257 1 8 . 1 1 92 92 LEU C C 92 177.464 177.464 177.503 -0.039 25510 4258 1 8 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.273 0.345 25510 4259 1 8 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.022 0.333 25510 4260 1 8 . 1 1 92 92 LEU H H 92 7.766 7.766 7.779 -0.013 25510 4261 1 8 . 1 1 93 93 MET N N 93 119.121 119.121 119.083 0.038 25510 4262 1 8 . 1 1 93 93 MET HA H 93 4.570 4.570 4.462 0.108 25510 4263 1 8 . 1 1 93 93 MET C C 93 176.224 176.224 176.276 -0.052 25510 4264 1 8 . 1 1 93 93 MET CA C 93 55.648 55.648 57.059 -1.411 25510 4265 1 8 . 1 1 93 93 MET CB C 93 32.978 32.978 34.057 -1.079 25510 4266 1 8 . 1 1 93 93 MET H H 93 7.973 7.973 7.535 0.438 25510 4267 1 8 . 1 1 94 94 THR N N 94 114.125 114.125 114.326 -0.201 25510 4268 1 8 . 1 1 94 94 THR HA H 94 4.375 4.375 4.530 -0.155 25510 4269 1 8 . 1 1 94 94 THR C C 94 173.550 173.550 173.568 -0.018 25510 4270 1 8 . 1 1 94 94 THR CA C 94 61.682 61.682 61.366 0.316 25510 4271 1 8 . 1 1 94 94 THR CB C 94 70.027 70.027 70.459 -0.432 25510 4272 1 8 . 1 1 94 94 THR H H 94 8.025 8.025 7.900 0.125 25510 4273 1 9 . 1 1 2 2 GLU N N 2 119.768 119.768 120.166 -0.398 25510 4274 1 9 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.137 -0.117 25510 4275 1 9 . 1 1 2 2 GLU C C 2 178.535 178.535 177.754 0.781 25510 4276 1 9 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.119 1.630 25510 4277 1 9 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.528 -0.421 25510 4278 1 9 . 1 1 2 2 GLU H H 2 8.426 8.426 8.854 -0.428 25510 4279 1 9 . 1 1 3 3 SER N N 3 113.553 113.553 115.246 -1.693 25510 4280 1 9 . 1 1 3 3 SER HA H 3 4.235 4.235 4.266 -0.031 25510 4281 1 9 . 1 1 3 3 SER C C 3 176.578 176.578 176.752 -0.174 25510 4282 1 9 . 1 1 3 3 SER CA C 3 61.448 61.448 61.291 0.157 25510 4283 1 9 . 1 1 3 3 SER CB C 3 62.746 62.746 62.688 0.058 25510 4284 1 9 . 1 1 3 3 SER H H 3 8.151 8.151 8.562 -0.411 25510 4285 1 9 . 1 1 4 4 GLU N N 4 122.599 122.599 120.290 2.309 25510 4286 1 9 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.195 -0.118 25510 4287 1 9 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.750 0.666 25510 4288 1 9 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.295 -1.034 25510 4289 1 9 . 1 1 4 4 GLU H H 4 8.051 8.051 7.808 0.243 25510 4290 1 9 . 1 1 5 5 TYR N N 5 119.991 119.991 121.024 -1.033 25510 4291 1 9 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.297 0.175 25510 4292 1 9 . 1 1 5 5 TYR CA C 5 60.913 60.913 60.802 0.111 25510 4293 1 9 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.583 -0.630 25510 4294 1 9 . 1 1 5 5 TYR H H 5 8.339 8.339 7.399 0.940 25510 4295 1 9 . 1 1 6 6 ARG N N 6 120.010 120.010 118.284 1.726 25510 4296 1 9 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.823 -0.064 25510 4297 1 9 . 1 1 6 6 ARG C C 6 177.365 177.365 178.150 -0.785 25510 4298 1 9 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.201 1.460 25510 4299 1 9 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.682 0.656 25510 4300 1 9 . 1 1 6 6 ARG H H 6 8.202 8.202 8.077 0.125 25510 4301 1 9 . 1 1 7 7 GLU N N 7 116.287 116.287 120.749 -4.462 25510 4302 1 9 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.047 0.003 25510 4303 1 9 . 1 1 7 7 GLU C C 7 178.544 178.544 178.238 0.306 25510 4304 1 9 . 1 1 7 7 GLU CA C 7 59.414 59.414 58.968 0.446 25510 4305 1 9 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.744 -0.721 25510 4306 1 9 . 1 1 7 7 GLU H H 7 8.165 8.165 7.972 0.193 25510 4307 1 9 . 1 1 8 8 MET N N 8 116.181 116.181 119.846 -3.665 25510 4308 1 9 . 1 1 8 8 MET HA H 8 4.411 4.411 4.213 0.198 25510 4309 1 9 . 1 1 8 8 MET C C 8 177.616 177.616 178.195 -0.579 25510 4310 1 9 . 1 1 8 8 MET CA C 8 59.067 59.067 57.741 1.326 25510 4311 1 9 . 1 1 8 8 MET CB C 8 32.089 32.089 32.270 -0.181 25510 4312 1 9 . 1 1 8 8 MET H H 8 8.168 8.168 7.718 0.450 25510 4313 1 9 . 1 1 9 9 LEU N N 9 122.056 122.056 118.720 3.336 25510 4314 1 9 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.910 0.071 25510 4315 1 9 . 1 1 9 9 LEU C C 9 177.211 177.211 177.487 -0.276 25510 4316 1 9 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.757 0.744 25510 4317 1 9 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.093 1.204 25510 4318 1 9 . 1 1 9 9 LEU H H 9 7.883 7.883 7.471 0.412 25510 4319 1 9 . 1 1 10 10 LEU N N 10 117.952 117.952 116.031 1.921 25510 4320 1 9 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.965 -0.011 25510 4321 1 9 . 1 1 10 10 LEU C C 10 176.132 176.132 179.341 -3.209 25510 4322 1 9 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.045 1.347 25510 4323 1 9 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.285 1.447 25510 4324 1 9 . 1 1 10 10 LEU H H 10 8.011 8.011 6.972 1.039 25510 4325 1 9 . 1 1 11 11 LEU N N 11 116.301 116.301 117.315 -1.014 25510 4326 1 9 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.001 0.149 25510 4327 1 9 . 1 1 11 11 LEU C C 11 179.384 179.384 178.791 0.593 25510 4328 1 9 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.090 -0.150 25510 4329 1 9 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.818 0.849 25510 4330 1 9 . 1 1 11 11 LEU H H 11 8.916 8.916 8.144 0.772 25510 4331 1 9 . 1 1 12 12 THR N N 12 112.429 112.429 113.929 -1.500 25510 4332 1 9 . 1 1 12 12 THR HA H 12 4.148 4.148 4.198 -0.050 25510 4333 1 9 . 1 1 12 12 THR C C 12 174.055 174.055 175.251 -1.196 25510 4334 1 9 . 1 1 12 12 THR CA C 12 65.127 65.127 64.686 0.441 25510 4335 1 9 . 1 1 12 12 THR CB C 12 68.421 68.421 68.193 0.228 25510 4336 1 9 . 1 1 12 12 THR H H 12 7.753 7.753 7.963 -0.210 25510 4337 1 9 . 1 1 13 13 GLY N N 13 124.320 124.320 108.207 16.113 25510 4338 1 9 . 1 1 13 13 GLY C C 13 173.259 173.259 176.438 -3.179 25510 4339 1 9 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.250 1.184 25510 4340 1 9 . 1 1 13 13 GLY H H 13 7.019 7.019 7.866 -0.847 25510 4341 1 9 . 1 1 14 14 LEU N N 14 121.922 121.922 122.945 -1.023 25510 4342 1 9 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.139 -0.223 25510 4343 1 9 . 1 1 14 14 LEU C C 14 178.842 178.842 178.421 0.421 25510 4344 1 9 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.713 0.337 25510 4345 1 9 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.250 0.576 25510 4346 1 9 . 1 1 14 14 LEU H H 14 8.941 8.941 7.552 1.389 25510 4347 1 9 . 1 1 15 15 ASP N N 15 115.417 115.417 115.765 -0.348 25510 4348 1 9 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.545 -0.046 25510 4349 1 9 . 1 1 15 15 ASP C C 15 175.905 175.905 176.045 -0.140 25510 4350 1 9 . 1 1 15 15 ASP CA C 15 54.805 54.805 54.846 -0.041 25510 4351 1 9 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.708 -2.882 25510 4352 1 9 . 1 1 15 15 ASP H H 15 9.012 9.012 7.855 1.157 25510 4353 1 9 . 1 1 16 16 HIS N N 16 114.840 114.840 117.024 -2.184 25510 4354 1 9 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.692 0.042 25510 4355 1 9 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.614 -0.042 25510 4356 1 9 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.530 -1.308 25510 4357 1 9 . 1 1 16 16 HIS H H 16 7.807 7.807 7.704 0.103 25510 4358 1 9 . 1 1 17 17 ILE N N 17 111.347 111.347 116.422 -5.075 25510 4359 1 9 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.671 0.290 25510 4360 1 9 . 1 1 17 17 ILE C C 17 176.154 176.154 175.343 0.811 25510 4361 1 9 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.442 0.070 25510 4362 1 9 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.896 -1.222 25510 4363 1 9 . 1 1 17 17 ILE H H 17 7.041 7.041 7.380 -0.339 25510 4364 1 9 . 1 1 18 18 THR N N 18 114.804 114.804 112.914 1.890 25510 4365 1 9 . 1 1 18 18 THR HA H 18 4.384 4.384 4.334 0.050 25510 4366 1 9 . 1 1 18 18 THR C C 18 174.991 174.991 175.499 -0.508 25510 4367 1 9 . 1 1 18 18 THR CA C 18 61.063 61.063 61.403 -0.340 25510 4368 1 9 . 1 1 18 18 THR CB C 18 71.227 71.227 70.089 1.138 25510 4369 1 9 . 1 1 18 18 THR H H 18 8.672 8.672 8.375 0.297 25510 4370 1 9 . 1 1 19 19 GLU N N 19 119.385 119.385 121.084 -1.699 25510 4371 1 9 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.051 -0.019 25510 4372 1 9 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.129 -0.257 25510 4373 1 9 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.139 -0.188 25510 4374 1 9 . 1 1 19 19 GLU H H 19 8.886 8.886 8.921 -0.035 25510 4375 1 9 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.045 0.045 25510 4376 1 9 . 1 1 20 20 GLU C C 20 179.664 179.664 178.955 0.709 25510 4377 1 9 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.141 0.454 25510 4378 1 9 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.003 0.039 25510 4379 1 9 . 1 1 21 21 GLU N N 21 120.346 120.346 118.921 1.425 25510 4380 1 9 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.213 0.057 25510 4381 1 9 . 1 1 21 21 GLU C C 21 179.079 179.079 178.816 0.263 25510 4382 1 9 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.351 1.167 25510 4383 1 9 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.335 0.550 25510 4384 1 9 . 1 1 21 21 GLU H H 21 7.611 7.611 7.603 0.008 25510 4385 1 9 . 1 1 22 22 LEU N N 22 122.508 122.508 121.817 0.691 25510 4386 1 9 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.075 0.057 25510 4387 1 9 . 1 1 22 22 LEU C C 22 178.698 178.698 178.408 0.290 25510 4388 1 9 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.492 -0.631 25510 4389 1 9 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.016 -0.296 25510 4390 1 9 . 1 1 22 22 LEU H H 22 9.016 9.016 8.101 0.915 25510 4391 1 9 . 1 1 23 23 LYS N N 23 119.162 119.162 117.439 1.723 25510 4392 1 9 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.115 -0.129 25510 4393 1 9 . 1 1 23 23 LYS C C 23 179.624 179.624 179.287 0.337 25510 4394 1 9 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.581 1.110 25510 4395 1 9 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.116 0.278 25510 4396 1 9 . 1 1 23 23 LYS H H 23 7.777 7.777 7.631 0.146 25510 4397 1 9 . 1 1 24 24 ARG N N 24 119.502 119.502 119.871 -0.369 25510 4398 1 9 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.080 0.121 25510 4399 1 9 . 1 1 24 24 ARG C C 24 178.260 178.260 178.803 -0.543 25510 4400 1 9 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.298 -0.066 25510 4401 1 9 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.040 -0.246 25510 4402 1 9 . 1 1 24 24 ARG H H 24 7.397 7.397 7.477 -0.080 25510 4403 1 9 . 1 1 25 25 PHE N N 25 120.567 120.567 121.201 -0.634 25510 4404 1 9 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.306 -0.438 25510 4405 1 9 . 1 1 25 25 PHE C C 25 177.302 177.302 176.945 0.357 25510 4406 1 9 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.146 1.035 25510 4407 1 9 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.102 0.441 25510 4408 1 9 . 1 1 25 25 PHE H H 25 8.798 8.798 8.292 0.506 25510 4409 1 9 . 1 1 26 26 LYS N N 26 117.901 117.901 118.788 -0.887 25510 4410 1 9 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.755 -0.081 25510 4411 1 9 . 1 1 26 26 LYS C C 26 177.118 177.118 179.297 -2.179 25510 4412 1 9 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.490 1.472 25510 4413 1 9 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.279 0.760 25510 4414 1 9 . 1 1 26 26 LYS H H 26 8.841 8.841 7.795 1.046 25510 4415 1 9 . 1 1 27 27 TYR N N 27 118.480 118.480 121.569 -3.089 25510 4416 1 9 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.180 -0.024 25510 4417 1 9 . 1 1 27 27 TYR C C 27 178.460 178.460 177.038 1.422 25510 4418 1 9 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.662 -0.205 25510 4419 1 9 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.764 -1.016 25510 4420 1 9 . 1 1 27 27 TYR H H 27 7.645 7.645 7.886 -0.241 25510 4421 1 9 . 1 1 28 28 PHE N N 28 117.525 117.525 118.324 -0.799 25510 4422 1 9 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.097 0.149 25510 4423 1 9 . 1 1 28 28 PHE C C 28 178.827 178.827 176.609 2.218 25510 4424 1 9 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.427 0.375 25510 4425 1 9 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.786 0.291 25510 4426 1 9 . 1 1 28 28 PHE H H 28 7.741 7.741 7.980 -0.239 25510 4427 1 9 . 1 1 29 29 ALA N N 29 123.372 123.372 120.464 2.908 25510 4428 1 9 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.086 -0.113 25510 4429 1 9 . 1 1 29 29 ALA C C 29 178.340 178.340 177.957 0.383 25510 4430 1 9 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.874 1.448 25510 4431 1 9 . 1 1 29 29 ALA CB C 29 17.204 17.204 18.778 -1.574 25510 4432 1 9 . 1 1 29 29 ALA H H 29 8.840 8.840 8.046 0.794 25510 4433 1 9 . 1 1 30 30 LEU N N 30 117.039 117.039 119.824 -2.785 25510 4434 1 9 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.728 -0.689 25510 4435 1 9 . 1 1 30 30 LEU C C 30 178.373 178.373 176.463 1.910 25510 4436 1 9 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.974 4.370 25510 4437 1 9 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.756 1.171 25510 4438 1 9 . 1 1 30 30 LEU H H 30 7.443 7.443 7.409 0.034 25510 4439 1 9 . 1 1 31 31 THR N N 31 125.874 125.874 114.003 11.871 25510 4440 1 9 . 1 1 31 31 THR HA H 31 4.228 4.228 4.118 0.110 25510 4441 1 9 . 1 1 31 31 THR C C 31 176.282 176.282 175.431 0.851 25510 4442 1 9 . 1 1 31 31 THR CA C 31 63.328 63.328 63.040 0.288 25510 4443 1 9 . 1 1 31 31 THR CB C 31 69.170 69.170 69.720 -0.550 25510 4444 1 9 . 1 1 31 31 THR H H 31 7.014 7.014 7.816 -0.802 25510 4445 1 9 . 1 1 32 32 GLU N N 32 120.558 120.558 119.590 0.968 25510 4446 1 9 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.138 0.014 25510 4447 1 9 . 1 1 32 32 GLU C C 32 175.968 175.968 176.598 -0.630 25510 4448 1 9 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.413 0.368 25510 4449 1 9 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.394 1.667 25510 4450 1 9 . 1 1 32 32 GLU H H 32 7.808 7.808 8.418 -0.610 25510 4451 1 9 . 1 1 33 33 PHE N N 33 114.045 114.045 117.689 -3.644 25510 4452 1 9 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.346 0.124 25510 4453 1 9 . 1 1 33 33 PHE CA C 33 57.498 57.498 59.258 -1.760 25510 4454 1 9 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.951 1.592 25510 4455 1 9 . 1 1 33 33 PHE H H 33 8.390 8.390 7.596 0.794 25510 4456 1 9 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.933 0.337 25510 4457 1 9 . 1 1 34 34 GLN C C 34 174.516 174.516 174.902 -0.386 25510 4458 1 9 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.282 -0.129 25510 4459 1 9 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.276 0.044 25510 4460 1 9 . 1 1 34 34 GLN H H 34 7.968 7.968 8.234 -0.266 25510 4461 1 9 . 1 1 35 35 ILE N N 35 119.653 119.653 119.918 -0.265 25510 4462 1 9 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.895 0.476 25510 4463 1 9 . 1 1 35 35 ILE C C 35 173.592 173.592 176.379 -2.787 25510 4464 1 9 . 1 1 35 35 ILE CA C 35 59.410 59.410 60.979 -1.569 25510 4465 1 9 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.370 3.387 25510 4466 1 9 . 1 1 35 35 ILE H H 35 7.455 7.455 8.057 -0.602 25510 4467 1 9 . 1 1 36 36 ALA N N 36 126.668 126.668 130.138 -3.470 25510 4468 1 9 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.471 -0.203 25510 4469 1 9 . 1 1 36 36 ALA C C 36 178.784 178.784 177.618 1.166 25510 4470 1 9 . 1 1 36 36 ALA CA C 36 52.182 52.182 51.850 0.332 25510 4471 1 9 . 1 1 36 36 ALA CB C 36 19.265 19.265 20.135 -0.870 25510 4472 1 9 . 1 1 36 36 ALA H H 36 8.238 8.238 8.036 0.202 25510 4473 1 9 . 1 1 37 37 ARG N N 37 123.068 123.068 121.782 1.286 25510 4474 1 9 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.063 -0.247 25510 4475 1 9 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.843 0.995 25510 4476 1 9 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.226 -0.294 25510 4477 1 9 . 1 1 37 37 ARG H H 37 8.820 8.820 8.789 0.031 25510 4478 1 9 . 1 1 38 38 SER N N 38 112.348 112.348 114.738 -2.390 25510 4479 1 9 . 1 1 38 38 SER HA H 38 4.178 4.178 4.298 -0.120 25510 4480 1 9 . 1 1 38 38 SER C C 38 178.315 178.315 176.324 1.991 25510 4481 1 9 . 1 1 38 38 SER CA C 38 60.772 60.772 60.864 -0.092 25510 4482 1 9 . 1 1 38 38 SER CB C 38 62.061 62.061 62.435 -0.374 25510 4483 1 9 . 1 1 38 38 SER H H 38 8.517 8.517 8.520 -0.003 25510 4484 1 9 . 1 1 39 39 THR N N 39 117.311 117.311 116.229 1.082 25510 4485 1 9 . 1 1 39 39 THR HA H 39 4.025 4.025 4.200 -0.175 25510 4486 1 9 . 1 1 39 39 THR C C 39 175.203 175.203 175.611 -0.408 25510 4487 1 9 . 1 1 39 39 THR CA C 39 64.904 64.904 64.138 0.766 25510 4488 1 9 . 1 1 39 39 THR CB C 39 68.726 68.726 68.510 0.216 25510 4489 1 9 . 1 1 39 39 THR H H 39 7.231 7.231 7.551 -0.320 25510 4490 1 9 . 1 1 40 40 LEU N N 40 118.713 118.713 121.715 -3.002 25510 4491 1 9 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.979 0.052 25510 4492 1 9 . 1 1 40 40 LEU C C 40 177.743 177.743 178.039 -0.296 25510 4493 1 9 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.868 -0.805 25510 4494 1 9 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.444 0.850 25510 4495 1 9 . 1 1 40 40 LEU H H 40 7.552 7.552 7.793 -0.241 25510 4496 1 9 . 1 1 41 41 ASP N N 41 119.468 119.468 118.900 0.568 25510 4497 1 9 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.438 0.059 25510 4498 1 9 . 1 1 41 41 ASP C C 41 177.111 177.111 177.537 -0.426 25510 4499 1 9 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.676 -0.082 25510 4500 1 9 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.554 -1.600 25510 4501 1 9 . 1 1 41 41 ASP H H 41 8.153 8.153 7.628 0.525 25510 4502 1 9 . 1 1 42 42 VAL N N 42 111.960 111.960 109.917 2.043 25510 4503 1 9 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.771 -0.443 25510 4504 1 9 . 1 1 42 42 VAL C C 42 175.994 175.994 175.837 0.157 25510 4505 1 9 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.569 -0.827 25510 4506 1 9 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.920 -0.179 25510 4507 1 9 . 1 1 42 42 VAL H H 42 7.293 7.293 7.815 -0.522 25510 4508 1 9 . 1 1 43 43 ALA N N 43 124.575 124.575 124.510 0.065 25510 4509 1 9 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.954 0.372 25510 4510 1 9 . 1 1 43 43 ALA C C 43 177.972 177.972 178.787 -0.815 25510 4511 1 9 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.986 -2.908 25510 4512 1 9 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.253 1.198 25510 4513 1 9 . 1 1 43 43 ALA H H 43 7.626 7.626 8.279 -0.653 25510 4514 1 9 . 1 1 44 44 ASP N N 44 119.810 119.810 117.230 2.580 25510 4515 1 9 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.298 -0.238 25510 4516 1 9 . 1 1 44 44 ASP C C 44 179.346 179.346 177.998 1.348 25510 4517 1 9 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.868 1.456 25510 4518 1 9 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.140 -8.208 25510 4519 1 9 . 1 1 44 44 ASP H H 44 8.002 8.002 8.859 -0.857 25510 4520 1 9 . 1 1 45 45 ARG N N 45 123.564 123.564 118.132 5.432 25510 4521 1 9 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.288 -0.519 25510 4522 1 9 . 1 1 45 45 ARG C C 45 177.492 177.492 178.055 -0.563 25510 4523 1 9 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.057 2.752 25510 4524 1 9 . 1 1 45 45 ARG CB C 45 33.014 33.014 29.982 3.032 25510 4525 1 9 . 1 1 45 45 ARG H H 45 8.611 8.611 7.598 1.013 25510 4526 1 9 . 1 1 46 46 THR N N 46 118.315 118.315 112.677 5.638 25510 4527 1 9 . 1 1 46 46 THR HA H 46 4.051 4.051 4.306 -0.255 25510 4528 1 9 . 1 1 46 46 THR C C 46 179.947 179.947 176.353 3.594 25510 4529 1 9 . 1 1 46 46 THR CA C 46 59.605 59.605 64.350 -4.745 25510 4530 1 9 . 1 1 46 46 THR CB C 46 32.375 32.375 69.625 -37.250 25510 4531 1 9 . 1 1 46 46 THR H H 46 8.182 8.182 7.711 0.471 25510 4532 1 9 . 1 1 47 47 GLU N N 47 118.691 118.691 121.722 -3.031 25510 4533 1 9 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.266 -0.244 25510 4534 1 9 . 1 1 47 47 GLU C C 47 179.758 179.758 179.119 0.639 25510 4535 1 9 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.574 -0.375 25510 4536 1 9 . 1 1 47 47 GLU H H 47 8.117 8.117 7.744 0.373 25510 4537 1 9 . 1 1 48 48 LEU N N 48 120.020 120.020 120.776 -0.756 25510 4538 1 9 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.957 -0.198 25510 4539 1 9 . 1 1 48 48 LEU C C 48 177.474 177.474 179.078 -1.604 25510 4540 1 9 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.365 0.209 25510 4541 1 9 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.793 -0.191 25510 4542 1 9 . 1 1 48 48 LEU H H 48 8.355 8.355 8.572 -0.217 25510 4543 1 9 . 1 1 49 49 ALA N N 49 120.164 120.164 121.289 -1.125 25510 4544 1 9 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.853 -0.164 25510 4545 1 9 . 1 1 49 49 ALA C C 49 178.552 178.552 179.578 -1.026 25510 4546 1 9 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.209 0.920 25510 4547 1 9 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.955 -0.319 25510 4548 1 9 . 1 1 49 49 ALA H H 49 8.224 8.224 8.214 0.010 25510 4549 1 9 . 1 1 50 50 ASP N N 50 115.824 115.824 118.154 -2.330 25510 4550 1 9 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.338 0.080 25510 4551 1 9 . 1 1 50 50 ASP C C 50 179.108 179.108 178.796 0.312 25510 4552 1 9 . 1 1 50 50 ASP CA C 50 57.921 57.921 58.106 -0.185 25510 4553 1 9 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.813 -1.050 25510 4554 1 9 . 1 1 50 50 ASP H H 50 8.041 8.041 7.832 0.209 25510 4555 1 9 . 1 1 51 51 HIS N N 51 117.866 117.866 119.114 -1.248 25510 4556 1 9 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.308 0.157 25510 4557 1 9 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.758 -1.268 25510 4558 1 9 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.196 -2.131 25510 4559 1 9 . 1 1 51 51 HIS H H 51 8.541 8.541 8.058 0.483 25510 4560 1 9 . 1 1 52 52 LEU N N 52 120.279 120.279 118.426 1.853 25510 4561 1 9 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.782 -0.156 25510 4562 1 9 . 1 1 52 52 LEU C C 52 178.488 178.488 178.400 0.088 25510 4563 1 9 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.844 0.536 25510 4564 1 9 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.147 -1.716 25510 4565 1 9 . 1 1 52 52 LEU H H 52 8.529 8.529 8.218 0.311 25510 4566 1 9 . 1 1 53 53 ILE N N 53 119.478 119.478 118.711 0.767 25510 4567 1 9 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.922 -0.483 25510 4568 1 9 . 1 1 53 53 ILE C C 53 178.798 178.798 178.649 0.149 25510 4569 1 9 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.193 2.792 25510 4570 1 9 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.659 0.994 25510 4571 1 9 . 1 1 53 53 ILE H H 53 8.069 8.069 7.533 0.536 25510 4572 1 9 . 1 1 54 54 GLN N N 54 119.904 119.904 116.542 3.362 25510 4573 1 9 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.042 -0.022 25510 4574 1 9 . 1 1 54 54 GLN C C 54 177.668 177.668 177.990 -0.322 25510 4575 1 9 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.758 0.902 25510 4576 1 9 . 1 1 54 54 GLN CB C 54 28.489 28.489 27.910 0.579 25510 4577 1 9 . 1 1 54 54 GLN H H 54 8.382 8.382 7.787 0.595 25510 4578 1 9 . 1 1 55 55 SER N N 55 110.647 110.647 114.217 -3.570 25510 4579 1 9 . 1 1 55 55 SER HA H 55 4.353 4.353 4.384 -0.031 25510 4580 1 9 . 1 1 55 55 SER C C 55 175.910 175.910 174.989 0.921 25510 4581 1 9 . 1 1 55 55 SER CA C 55 61.019 61.019 60.971 0.048 25510 4582 1 9 . 1 1 55 55 SER CB C 55 63.997 63.997 63.602 0.395 25510 4583 1 9 . 1 1 55 55 SER H H 55 7.623 7.623 7.756 -0.133 25510 4584 1 9 . 1 1 56 56 ALA N N 56 118.590 118.590 120.601 -2.011 25510 4585 1 9 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.476 0.249 25510 4586 1 9 . 1 1 56 56 ALA C C 56 178.537 178.537 176.648 1.889 25510 4587 1 9 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.401 0.311 25510 4588 1 9 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.144 0.618 25510 4589 1 9 . 1 1 56 56 ALA H H 56 7.908 7.908 7.628 0.280 25510 4590 1 9 . 1 1 57 57 GLY N N 57 109.060 109.060 105.786 3.274 25510 4591 1 9 . 1 1 57 57 GLY C C 57 174.410 174.410 173.572 0.838 25510 4592 1 9 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.370 -1.139 25510 4593 1 9 . 1 1 57 57 GLY H H 57 7.996 7.996 7.583 0.413 25510 4594 1 9 . 1 1 58 58 ALA N N 58 123.460 123.460 123.677 -0.217 25510 4595 1 9 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.059 -0.053 25510 4596 1 9 . 1 1 58 58 ALA C C 58 177.285 177.285 178.902 -1.617 25510 4597 1 9 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.053 2.028 25510 4598 1 9 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.037 0.169 25510 4599 1 9 . 1 1 58 58 ALA H H 58 8.710 8.710 8.754 -0.044 25510 4600 1 9 . 1 1 59 59 ALA N N 59 118.918 118.918 119.372 -0.454 25510 4601 1 9 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.135 -1.188 25510 4602 1 9 . 1 1 59 59 ALA C C 59 181.017 181.017 179.430 1.587 25510 4603 1 9 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.710 0.683 25510 4604 1 9 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.888 0.142 25510 4605 1 9 . 1 1 59 59 ALA H H 59 8.272 8.272 8.655 -0.383 25510 4606 1 9 . 1 1 60 60 SER N N 60 112.905 112.905 115.133 -2.228 25510 4607 1 9 . 1 1 60 60 SER HA H 60 4.130 4.130 4.221 -0.091 25510 4608 1 9 . 1 1 60 60 SER C C 60 176.246 176.246 176.605 -0.359 25510 4609 1 9 . 1 1 60 60 SER CA C 60 60.601 60.601 61.710 -1.109 25510 4610 1 9 . 1 1 60 60 SER CB C 60 62.796 62.796 62.703 0.093 25510 4611 1 9 . 1 1 60 60 SER H H 60 8.218 8.218 8.359 -0.141 25510 4612 1 9 . 1 1 61 61 ALA N N 61 121.207 121.207 123.943 -2.736 25510 4613 1 9 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.108 0.048 25510 4614 1 9 . 1 1 61 61 ALA C C 61 179.639 179.639 179.459 0.180 25510 4615 1 9 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.814 0.841 25510 4616 1 9 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.424 0.126 25510 4617 1 9 . 1 1 61 61 ALA H H 61 8.583 8.583 7.563 1.020 25510 4618 1 9 . 1 1 62 62 VAL N N 62 116.024 116.024 117.784 -1.760 25510 4619 1 9 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.519 0.154 25510 4620 1 9 . 1 1 62 62 VAL C C 62 177.567 177.567 177.952 -0.385 25510 4621 1 9 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.415 1.488 25510 4622 1 9 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.605 -0.052 25510 4623 1 9 . 1 1 62 62 VAL H H 62 7.517 7.517 7.875 -0.358 25510 4624 1 9 . 1 1 63 63 THR N N 63 117.797 117.797 113.329 4.468 25510 4625 1 9 . 1 1 63 63 THR HA H 63 4.318 4.318 4.208 0.110 25510 4626 1 9 . 1 1 63 63 THR C C 63 176.800 176.800 176.711 0.089 25510 4627 1 9 . 1 1 63 63 THR CA C 63 68.590 68.590 65.574 3.016 25510 4628 1 9 . 1 1 63 63 THR CB C 63 67.818 67.818 68.843 -1.025 25510 4629 1 9 . 1 1 63 63 THR H H 63 8.007 8.007 7.686 0.321 25510 4630 1 9 . 1 1 64 64 LYS N N 64 121.300 121.300 121.762 -0.462 25510 4631 1 9 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.155 -0.258 25510 4632 1 9 . 1 1 64 64 LYS C C 64 178.721 178.721 178.592 0.129 25510 4633 1 9 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.615 1.327 25510 4634 1 9 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.183 3.055 25510 4635 1 9 . 1 1 64 64 LYS H H 64 8.771 8.771 7.578 1.193 25510 4636 1 9 . 1 1 65 65 ALA N N 65 121.115 121.115 122.428 -1.313 25510 4637 1 9 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.290 -0.238 25510 4638 1 9 . 1 1 65 65 ALA C C 65 178.759 178.759 179.574 -0.815 25510 4639 1 9 . 1 1 65 65 ALA CA C 65 56.050 56.050 54.956 1.094 25510 4640 1 9 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.314 -0.070 25510 4641 1 9 . 1 1 65 65 ALA H H 65 8.598 8.598 8.299 0.299 25510 4642 1 9 . 1 1 66 66 ILE N N 66 118.735 118.735 118.529 0.206 25510 4643 1 9 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.864 -0.215 25510 4644 1 9 . 1 1 66 66 ILE C C 66 177.252 177.252 177.846 -0.594 25510 4645 1 9 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.352 4.607 25510 4646 1 9 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.859 1.190 25510 4647 1 9 . 1 1 66 66 ILE H H 66 8.657 8.657 7.700 0.957 25510 4648 1 9 . 1 1 67 67 ASN N N 67 117.463 117.463 119.255 -1.792 25510 4649 1 9 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.728 -0.321 25510 4650 1 9 . 1 1 67 67 ASN C C 67 178.095 178.095 177.978 0.117 25510 4651 1 9 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.578 -0.009 25510 4652 1 9 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.731 -0.350 25510 4653 1 9 . 1 1 67 67 ASN H H 67 7.525 7.525 7.683 -0.158 25510 4654 1 9 . 1 1 68 68 ILE N N 68 120.886 120.886 119.997 0.889 25510 4655 1 9 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.860 -0.614 25510 4656 1 9 . 1 1 68 68 ILE C C 68 177.540 177.540 177.821 -0.281 25510 4657 1 9 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.900 1.316 25510 4658 1 9 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.300 -0.884 25510 4659 1 9 . 1 1 68 68 ILE H H 68 8.170 8.170 7.638 0.532 25510 4660 1 9 . 1 1 69 69 PHE N N 69 117.836 117.836 120.430 -2.594 25510 4661 1 9 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.140 0.258 25510 4662 1 9 . 1 1 69 69 PHE C C 69 178.279 178.279 176.917 1.362 25510 4663 1 9 . 1 1 69 69 PHE CA C 69 62.837 62.837 62.016 0.822 25510 4664 1 9 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.266 -1.272 25510 4665 1 9 . 1 1 69 69 PHE H H 69 8.963 8.963 8.338 0.625 25510 4666 1 9 . 1 1 70 70 GLN N N 70 118.145 118.145 118.258 -0.113 25510 4667 1 9 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.816 0.326 25510 4668 1 9 . 1 1 70 70 GLN C C 70 180.057 180.057 177.930 2.127 25510 4669 1 9 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.634 1.152 25510 4670 1 9 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.323 -0.650 25510 4671 1 9 . 1 1 70 70 GLN H H 70 8.480 8.480 8.489 -0.009 25510 4672 1 9 . 1 1 71 71 LYS N N 71 123.368 123.368 118.362 5.006 25510 4673 1 9 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.091 -0.166 25510 4674 1 9 . 1 1 71 71 LYS C C 71 178.755 178.755 177.376 1.379 25510 4675 1 9 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.156 1.346 25510 4676 1 9 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.245 -0.217 25510 4677 1 9 . 1 1 71 71 LYS H H 71 8.099 8.099 7.511 0.588 25510 4678 1 9 . 1 1 72 72 LEU N N 72 117.830 117.830 117.344 0.486 25510 4679 1 9 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.153 -0.161 25510 4680 1 9 . 1 1 72 72 LEU C C 72 175.462 175.462 177.485 -2.023 25510 4681 1 9 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.078 -1.009 25510 4682 1 9 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.968 -0.813 25510 4683 1 9 . 1 1 72 72 LEU H H 72 7.866 7.866 7.254 0.612 25510 4684 1 9 . 1 1 73 73 ASN N N 73 113.996 113.996 113.484 0.512 25510 4685 1 9 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.652 -0.313 25510 4686 1 9 . 1 1 73 73 ASN C C 73 175.753 175.753 175.180 0.573 25510 4687 1 9 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.051 1.423 25510 4688 1 9 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.245 -2.766 25510 4689 1 9 . 1 1 73 73 ASN H H 73 8.026 8.026 7.527 0.499 25510 4690 1 9 . 1 1 74 74 TYR N N 74 122.244 122.244 119.072 3.172 25510 4691 1 9 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.773 0.504 25510 4692 1 9 . 1 1 74 74 TYR C C 74 177.548 177.548 174.782 2.766 25510 4693 1 9 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.723 -2.664 25510 4694 1 9 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.465 -3.089 25510 4695 1 9 . 1 1 74 74 TYR H H 74 8.613 8.613 7.262 1.351 25510 4696 1 9 . 1 1 75 75 MET N N 75 117.619 117.619 122.175 -4.556 25510 4697 1 9 . 1 1 75 75 MET HA H 75 4.275 4.275 4.004 0.271 25510 4698 1 9 . 1 1 75 75 MET C C 75 178.716 178.716 176.192 2.524 25510 4699 1 9 . 1 1 75 75 MET CA C 75 57.231 57.231 58.954 -1.723 25510 4700 1 9 . 1 1 75 75 MET CB C 75 30.304 30.304 32.410 -2.106 25510 4701 1 9 . 1 1 75 75 MET H H 75 7.722 7.722 8.103 -0.381 25510 4702 1 9 . 1 1 76 76 HIS N N 76 117.559 117.559 118.058 -0.499 25510 4703 1 9 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.440 0.027 25510 4704 1 9 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.244 -0.247 25510 4705 1 9 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.899 -2.462 25510 4706 1 9 . 1 1 76 76 HIS H H 76 8.865 8.865 8.039 0.826 25510 4707 1 9 . 1 1 77 77 ILE N N 77 119.750 119.750 120.073 -0.323 25510 4708 1 9 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.822 -0.238 25510 4709 1 9 . 1 1 77 77 ILE C C 77 177.168 177.168 177.192 -0.024 25510 4710 1 9 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.127 1.077 25510 4711 1 9 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.945 -0.145 25510 4712 1 9 . 1 1 77 77 ILE H H 77 7.356 7.356 7.734 -0.378 25510 4713 1 9 . 1 1 78 78 ALA N N 78 120.662 120.662 122.408 -1.746 25510 4714 1 9 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.905 0.025 25510 4715 1 9 . 1 1 78 78 ALA C C 78 178.936 178.936 178.584 0.352 25510 4716 1 9 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.683 0.738 25510 4717 1 9 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.106 0.881 25510 4718 1 9 . 1 1 78 78 ALA H H 78 8.054 8.054 8.097 -0.043 25510 4719 1 9 . 1 1 79 79 ASN N N 79 114.176 114.176 116.507 -2.331 25510 4720 1 9 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.616 -0.172 25510 4721 1 9 . 1 1 79 79 ASN C C 79 177.625 177.625 177.264 0.361 25510 4722 1 9 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.023 0.028 25510 4723 1 9 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.322 -0.098 25510 4724 1 9 . 1 1 79 79 ASN H H 79 8.531 8.531 7.981 0.549 25510 4725 1 9 . 1 1 80 80 ALA N N 80 123.670 123.670 121.455 2.215 25510 4726 1 9 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.395 -0.267 25510 4727 1 9 . 1 1 80 80 ALA C C 80 180.727 180.727 179.119 1.608 25510 4728 1 9 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.164 0.998 25510 4729 1 9 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.693 -0.431 25510 4730 1 9 . 1 1 80 80 ALA H H 80 7.822 7.822 7.412 0.410 25510 4731 1 9 . 1 1 81 81 LEU N N 81 120.065 120.065 118.510 1.555 25510 4732 1 9 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.955 0.037 25510 4733 1 9 . 1 1 81 81 LEU C C 81 177.550 177.550 179.236 -1.686 25510 4734 1 9 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.423 0.450 25510 4735 1 9 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.830 0.509 25510 4736 1 9 . 1 1 81 81 LEU H H 81 8.526 8.526 7.336 1.190 25510 4737 1 9 . 1 1 82 82 GLU N N 82 119.844 119.844 118.936 0.908 25510 4738 1 9 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.963 0.032 25510 4739 1 9 . 1 1 82 82 GLU C C 82 178.510 178.510 178.740 -0.230 25510 4740 1 9 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.281 0.390 25510 4741 1 9 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.807 -0.003 25510 4742 1 9 . 1 1 82 82 GLU H H 82 8.429 8.429 8.530 -0.101 25510 4743 1 9 . 1 1 83 83 GLU N N 83 118.585 118.585 120.480 -1.895 25510 4744 1 9 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.046 0.008 25510 4745 1 9 . 1 1 83 83 GLU C C 83 179.516 179.516 178.744 0.772 25510 4746 1 9 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.865 1.039 25510 4747 1 9 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.917 0.042 25510 4748 1 9 . 1 1 83 83 GLU H H 83 8.138 8.138 7.961 0.177 25510 4749 1 9 . 1 1 84 84 LYS N N 84 119.135 119.135 119.871 -0.736 25510 4750 1 9 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.031 0.089 25510 4751 1 9 . 1 1 84 84 LYS CA C 84 59.708 59.708 59.018 0.690 25510 4752 1 9 . 1 1 84 84 LYS H H 84 8.690 8.690 7.960 0.730 25510 4753 1 9 . 1 1 85 85 LYS N N 85 118.012 118.012 119.328 -1.316 25510 4754 1 9 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.056 0.401 25510 4755 1 9 . 1 1 85 85 LYS H H 85 8.109 8.109 7.817 0.292 25510 4756 1 9 . 1 1 86 86 LYS N N 86 119.839 119.839 117.480 2.359 25510 4757 1 9 . 1 1 86 86 LYS HA H 86 3.918 3.918 3.934 -0.016 25510 4758 1 9 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.422 3.876 25510 4759 1 9 . 1 1 86 86 LYS H H 86 8.577 8.577 7.746 0.831 25510 4760 1 9 . 1 1 87 87 GLU N N 87 119.674 119.674 118.931 0.743 25510 4761 1 9 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.110 -0.119 25510 4762 1 9 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.375 0.864 25510 4763 1 9 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.689 -0.577 25510 4764 1 9 . 1 1 87 87 GLU H H 87 8.402 8.402 7.706 0.696 25510 4765 1 9 . 1 1 88 88 ALA N N 88 121.869 121.869 122.485 -0.616 25510 4766 1 9 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.823 0.259 25510 4767 1 9 . 1 1 88 88 ALA C C 88 179.999 179.999 179.253 0.746 25510 4768 1 9 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.734 0.204 25510 4769 1 9 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.321 1.096 25510 4770 1 9 . 1 1 88 88 ALA H H 88 8.043 8.043 7.716 0.327 25510 4771 1 9 . 1 1 89 89 GLU N N 89 115.931 115.931 118.383 -2.452 25510 4772 1 9 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.971 0.033 25510 4773 1 9 . 1 1 89 89 GLU C C 89 178.454 178.454 179.086 -0.632 25510 4774 1 9 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.282 -0.888 25510 4775 1 9 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.407 -0.263 25510 4776 1 9 . 1 1 89 89 GLU H H 89 8.058 8.058 7.690 0.368 25510 4777 1 9 . 1 1 90 90 ARG N N 90 119.607 119.607 116.062 3.545 25510 4778 1 9 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.219 -0.036 25510 4779 1 9 . 1 1 90 90 ARG C C 90 177.870 177.870 178.190 -0.320 25510 4780 1 9 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.208 0.057 25510 4781 1 9 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.946 0.303 25510 4782 1 9 . 1 1 90 90 ARG H H 90 7.791 7.791 7.649 0.142 25510 4783 1 9 . 1 1 91 91 LYS N N 91 118.638 118.638 119.500 -0.862 25510 4784 1 9 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.087 0.110 25510 4785 1 9 . 1 1 91 91 LYS C C 91 177.087 177.087 177.883 -0.796 25510 4786 1 9 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.928 -1.322 25510 4787 1 9 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.330 0.290 25510 4788 1 9 . 1 1 91 91 LYS H H 91 7.709 7.709 7.210 0.499 25510 4789 1 9 . 1 1 92 92 LEU N N 92 119.640 119.640 117.024 2.616 25510 4790 1 9 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.303 0.026 25510 4791 1 9 . 1 1 92 92 LEU C C 92 177.464 177.464 177.639 -0.175 25510 4792 1 9 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.454 0.164 25510 4793 1 9 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.217 0.138 25510 4794 1 9 . 1 1 92 92 LEU H H 92 7.766 7.766 7.739 0.027 25510 4795 1 9 . 1 1 93 93 MET N N 93 119.121 119.121 119.023 0.098 25510 4796 1 9 . 1 1 93 93 MET HA H 93 4.570 4.570 4.428 0.142 25510 4797 1 9 . 1 1 93 93 MET C C 93 176.224 176.224 176.872 -0.648 25510 4798 1 9 . 1 1 93 93 MET CA C 93 55.648 55.648 56.559 -0.911 25510 4799 1 9 . 1 1 93 93 MET CB C 93 32.978 32.978 33.804 -0.826 25510 4800 1 9 . 1 1 93 93 MET H H 93 7.973 7.973 7.374 0.599 25510 4801 1 9 . 1 1 94 94 THR N N 94 114.125 114.125 115.791 -1.666 25510 4802 1 9 . 1 1 94 94 THR HA H 94 4.375 4.375 4.154 0.221 25510 4803 1 9 . 1 1 94 94 THR C C 94 173.550 173.550 174.244 -0.694 25510 4804 1 9 . 1 1 94 94 THR CA C 94 61.682 61.682 63.097 -1.415 25510 4805 1 9 . 1 1 94 94 THR CB C 94 70.027 70.027 69.307 0.720 25510 4806 1 9 . 1 1 94 94 THR H H 94 8.025 8.025 7.773 0.252 25510 4807 1 10 . 1 1 2 2 GLU N N 2 119.768 119.768 122.199 -2.431 25510 4808 1 10 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.099 -0.079 25510 4809 1 10 . 1 1 2 2 GLU C C 2 178.535 178.535 177.674 0.861 25510 4810 1 10 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.248 1.501 25510 4811 1 10 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.148 -0.041 25510 4812 1 10 . 1 1 2 2 GLU H H 2 8.426 8.426 8.849 -0.423 25510 4813 1 10 . 1 1 3 3 SER N N 3 113.553 113.553 115.170 -1.617 25510 4814 1 10 . 1 1 3 3 SER HA H 3 4.235 4.235 4.192 0.043 25510 4815 1 10 . 1 1 3 3 SER C C 3 176.578 176.578 176.402 0.176 25510 4816 1 10 . 1 1 3 3 SER CA C 3 61.448 61.448 60.905 0.543 25510 4817 1 10 . 1 1 3 3 SER CB C 3 62.746 62.746 62.509 0.237 25510 4818 1 10 . 1 1 3 3 SER H H 3 8.151 8.151 8.357 -0.206 25510 4819 1 10 . 1 1 4 4 GLU N N 4 122.599 122.599 121.833 0.766 25510 4820 1 10 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.088 -0.011 25510 4821 1 10 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.853 0.562 25510 4822 1 10 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.410 -1.149 25510 4823 1 10 . 1 1 4 4 GLU H H 4 8.051 8.051 7.795 0.256 25510 4824 1 10 . 1 1 5 5 TYR N N 5 119.991 119.991 120.184 -0.193 25510 4825 1 10 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.286 0.186 25510 4826 1 10 . 1 1 5 5 TYR CA C 5 60.913 60.913 60.906 0.007 25510 4827 1 10 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.752 -0.798 25510 4828 1 10 . 1 1 5 5 TYR H H 5 8.339 8.339 7.948 0.391 25510 4829 1 10 . 1 1 6 6 ARG N N 6 120.010 120.010 118.921 1.089 25510 4830 1 10 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.911 -0.152 25510 4831 1 10 . 1 1 6 6 ARG C C 6 177.365 177.365 178.270 -0.905 25510 4832 1 10 . 1 1 6 6 ARG CA C 6 60.661 60.661 57.473 3.188 25510 4833 1 10 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.218 1.120 25510 4834 1 10 . 1 1 6 6 ARG H H 6 8.202 8.202 7.478 0.724 25510 4835 1 10 . 1 1 7 7 GLU N N 7 116.287 116.287 120.466 -4.179 25510 4836 1 10 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.006 0.044 25510 4837 1 10 . 1 1 7 7 GLU C C 7 178.544 178.544 178.563 -0.019 25510 4838 1 10 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.330 0.084 25510 4839 1 10 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.521 -0.498 25510 4840 1 10 . 1 1 7 7 GLU H H 7 8.165 8.165 8.183 -0.018 25510 4841 1 10 . 1 1 8 8 MET N N 8 116.181 116.181 118.700 -2.519 25510 4842 1 10 . 1 1 8 8 MET HA H 8 4.411 4.411 4.118 0.293 25510 4843 1 10 . 1 1 8 8 MET C C 8 177.616 177.616 177.984 -0.368 25510 4844 1 10 . 1 1 8 8 MET CA C 8 59.067 59.067 58.959 0.108 25510 4845 1 10 . 1 1 8 8 MET CB C 8 32.089 32.089 32.645 -0.555 25510 4846 1 10 . 1 1 8 8 MET H H 8 8.168 8.168 7.592 0.576 25510 4847 1 10 . 1 1 9 9 LEU N N 9 122.056 122.056 119.129 2.927 25510 4848 1 10 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.909 0.072 25510 4849 1 10 . 1 1 9 9 LEU C C 9 177.211 177.211 178.280 -1.069 25510 4850 1 10 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.443 1.058 25510 4851 1 10 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.617 0.681 25510 4852 1 10 . 1 1 9 9 LEU H H 9 7.883 7.883 7.424 0.459 25510 4853 1 10 . 1 1 10 10 LEU N N 10 117.952 117.952 117.536 0.416 25510 4854 1 10 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.828 0.126 25510 4855 1 10 . 1 1 10 10 LEU C C 10 176.132 176.132 178.883 -2.751 25510 4856 1 10 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.260 1.132 25510 4857 1 10 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.846 1.885 25510 4858 1 10 . 1 1 10 10 LEU H H 10 8.011 8.011 7.034 0.977 25510 4859 1 10 . 1 1 11 11 LEU N N 11 116.301 116.301 117.365 -1.064 25510 4860 1 10 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.967 0.183 25510 4861 1 10 . 1 1 11 11 LEU C C 11 179.384 179.384 178.750 0.634 25510 4862 1 10 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.101 -0.161 25510 4863 1 10 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.545 1.122 25510 4864 1 10 . 1 1 11 11 LEU H H 11 8.916 8.916 8.182 0.734 25510 4865 1 10 . 1 1 12 12 THR N N 12 112.429 112.429 111.659 0.770 25510 4866 1 10 . 1 1 12 12 THR HA H 12 4.148 4.148 4.167 -0.019 25510 4867 1 10 . 1 1 12 12 THR C C 12 174.055 174.055 176.006 -1.951 25510 4868 1 10 . 1 1 12 12 THR CA C 12 65.127 65.127 65.366 -0.239 25510 4869 1 10 . 1 1 12 12 THR CB C 12 68.421 68.421 68.183 0.238 25510 4870 1 10 . 1 1 12 12 THR H H 12 7.753 7.753 8.017 -0.264 25510 4871 1 10 . 1 1 13 13 GLY N N 13 124.320 124.320 109.110 15.210 25510 4872 1 10 . 1 1 13 13 GLY C C 13 173.259 173.259 176.091 -2.832 25510 4873 1 10 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.181 1.253 25510 4874 1 10 . 1 1 13 13 GLY H H 13 7.019 7.019 7.962 -0.943 25510 4875 1 10 . 1 1 14 14 LEU N N 14 121.922 121.922 122.798 -0.876 25510 4876 1 10 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.096 -0.180 25510 4877 1 10 . 1 1 14 14 LEU C C 14 178.842 178.842 178.357 0.485 25510 4878 1 10 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.505 0.545 25510 4879 1 10 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.116 0.710 25510 4880 1 10 . 1 1 14 14 LEU H H 14 8.941 8.941 7.793 1.148 25510 4881 1 10 . 1 1 15 15 ASP N N 15 115.417 115.417 116.207 -0.790 25510 4882 1 10 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.521 -0.022 25510 4883 1 10 . 1 1 15 15 ASP C C 15 175.905 175.905 176.005 -0.100 25510 4884 1 10 . 1 1 15 15 ASP CA C 15 54.805 54.805 54.871 -0.066 25510 4885 1 10 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.643 -2.817 25510 4886 1 10 . 1 1 15 15 ASP H H 15 9.012 9.012 7.862 1.150 25510 4887 1 10 . 1 1 16 16 HIS N N 16 114.840 114.840 116.568 -1.728 25510 4888 1 10 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.691 0.043 25510 4889 1 10 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.669 -0.097 25510 4890 1 10 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.459 -1.237 25510 4891 1 10 . 1 1 16 16 HIS H H 16 7.807 7.807 7.885 -0.078 25510 4892 1 10 . 1 1 17 17 ILE N N 17 111.347 111.347 114.619 -3.272 25510 4893 1 10 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.771 0.190 25510 4894 1 10 . 1 1 17 17 ILE C C 17 176.154 176.154 174.961 1.193 25510 4895 1 10 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.980 0.532 25510 4896 1 10 . 1 1 17 17 ILE CB C 17 39.674 39.674 41.280 -1.606 25510 4897 1 10 . 1 1 17 17 ILE H H 17 7.041 7.041 7.394 -0.353 25510 4898 1 10 . 1 1 18 18 THR N N 18 114.804 114.804 116.976 -2.172 25510 4899 1 10 . 1 1 18 18 THR HA H 18 4.384 4.384 4.723 -0.339 25510 4900 1 10 . 1 1 18 18 THR C C 18 174.991 174.991 176.084 -1.093 25510 4901 1 10 . 1 1 18 18 THR CA C 18 61.063 61.063 60.793 0.270 25510 4902 1 10 . 1 1 18 18 THR CB C 18 71.227 71.227 70.653 0.574 25510 4903 1 10 . 1 1 18 18 THR H H 18 8.672 8.672 8.551 0.121 25510 4904 1 10 . 1 1 19 19 GLU N N 19 119.385 119.385 124.656 -5.271 25510 4905 1 10 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.952 0.080 25510 4906 1 10 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.576 0.296 25510 4907 1 10 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.921 0.030 25510 4908 1 10 . 1 1 19 19 GLU H H 19 8.886 8.886 9.091 -0.205 25510 4909 1 10 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.071 0.019 25510 4910 1 10 . 1 1 20 20 GLU C C 20 179.664 179.664 178.898 0.766 25510 4911 1 10 . 1 1 20 20 GLU CA C 20 59.595 59.595 58.983 0.612 25510 4912 1 10 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.851 0.192 25510 4913 1 10 . 1 1 21 21 GLU N N 21 120.346 120.346 119.347 0.999 25510 4914 1 10 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.177 0.093 25510 4915 1 10 . 1 1 21 21 GLU C C 21 179.079 179.079 178.824 0.255 25510 4916 1 10 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.031 0.487 25510 4917 1 10 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.701 0.184 25510 4918 1 10 . 1 1 21 21 GLU H H 21 7.611 7.611 7.592 0.019 25510 4919 1 10 . 1 1 22 22 LEU N N 22 122.508 122.508 121.912 0.596 25510 4920 1 10 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.095 0.037 25510 4921 1 10 . 1 1 22 22 LEU C C 22 178.698 178.698 178.071 0.627 25510 4922 1 10 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.525 -0.664 25510 4923 1 10 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.927 -0.207 25510 4924 1 10 . 1 1 22 22 LEU H H 22 9.016 9.016 8.193 0.823 25510 4925 1 10 . 1 1 23 23 LYS N N 23 119.162 119.162 117.346 1.816 25510 4926 1 10 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.031 -0.045 25510 4927 1 10 . 1 1 23 23 LYS C C 23 179.624 179.624 179.355 0.269 25510 4928 1 10 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.852 0.839 25510 4929 1 10 . 1 1 23 23 LYS CB C 23 32.394 32.394 31.983 0.411 25510 4930 1 10 . 1 1 23 23 LYS H H 23 7.777 7.777 7.766 0.011 25510 4931 1 10 . 1 1 24 24 ARG N N 24 119.502 119.502 119.618 -0.116 25510 4932 1 10 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.229 -0.028 25510 4933 1 10 . 1 1 24 24 ARG C C 24 178.260 178.260 178.826 -0.566 25510 4934 1 10 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.121 0.111 25510 4935 1 10 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.268 -0.474 25510 4936 1 10 . 1 1 24 24 ARG H H 24 7.397 7.397 7.708 -0.311 25510 4937 1 10 . 1 1 25 25 PHE N N 25 120.567 120.567 121.668 -1.101 25510 4938 1 10 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.342 -0.474 25510 4939 1 10 . 1 1 25 25 PHE C C 25 177.302 177.302 177.158 0.144 25510 4940 1 10 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.552 0.629 25510 4941 1 10 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.194 0.349 25510 4942 1 10 . 1 1 25 25 PHE H H 25 8.798 8.798 8.266 0.532 25510 4943 1 10 . 1 1 26 26 LYS N N 26 117.901 117.901 118.895 -0.994 25510 4944 1 10 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.839 -0.165 25510 4945 1 10 . 1 1 26 26 LYS C C 26 177.118 177.118 178.950 -1.832 25510 4946 1 10 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.047 1.915 25510 4947 1 10 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.919 1.120 25510 4948 1 10 . 1 1 26 26 LYS H H 26 8.841 8.841 8.328 0.513 25510 4949 1 10 . 1 1 27 27 TYR N N 27 118.480 118.480 121.311 -2.831 25510 4950 1 10 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.406 -0.250 25510 4951 1 10 . 1 1 27 27 TYR C C 27 178.460 178.460 177.735 0.725 25510 4952 1 10 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.126 0.331 25510 4953 1 10 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.776 -1.029 25510 4954 1 10 . 1 1 27 27 TYR H H 27 7.645 7.645 7.759 -0.114 25510 4955 1 10 . 1 1 28 28 PHE N N 28 117.525 117.525 119.011 -1.486 25510 4956 1 10 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.026 0.220 25510 4957 1 10 . 1 1 28 28 PHE C C 28 178.827 178.827 176.752 2.075 25510 4958 1 10 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.278 -0.476 25510 4959 1 10 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.328 0.749 25510 4960 1 10 . 1 1 28 28 PHE H H 28 7.741 7.741 8.167 -0.426 25510 4961 1 10 . 1 1 29 29 ALA N N 29 123.372 123.372 120.180 3.192 25510 4962 1 10 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.242 -0.269 25510 4963 1 10 . 1 1 29 29 ALA C C 29 178.340 178.340 178.104 0.236 25510 4964 1 10 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.700 1.622 25510 4965 1 10 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.285 -2.081 25510 4966 1 10 . 1 1 29 29 ALA H H 29 8.840 8.840 7.608 1.232 25510 4967 1 10 . 1 1 30 30 LEU N N 30 117.039 117.039 120.316 -3.277 25510 4968 1 10 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.807 -0.768 25510 4969 1 10 . 1 1 30 30 LEU C C 30 178.373 178.373 176.691 1.682 25510 4970 1 10 . 1 1 30 30 LEU CA C 30 58.344 58.344 54.100 4.244 25510 4971 1 10 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.750 1.177 25510 4972 1 10 . 1 1 30 30 LEU H H 30 7.443 7.443 7.686 -0.243 25510 4973 1 10 . 1 1 31 31 THR N N 31 125.874 125.874 115.134 10.740 25510 4974 1 10 . 1 1 31 31 THR HA H 31 4.228 4.228 3.975 0.253 25510 4975 1 10 . 1 1 31 31 THR C C 31 176.282 176.282 175.362 0.920 25510 4976 1 10 . 1 1 31 31 THR CA C 31 63.328 63.328 63.309 0.019 25510 4977 1 10 . 1 1 31 31 THR CB C 31 69.170 69.170 69.508 -0.338 25510 4978 1 10 . 1 1 31 31 THR H H 31 7.014 7.014 7.915 -0.901 25510 4979 1 10 . 1 1 32 32 GLU N N 32 120.558 120.558 119.419 1.139 25510 4980 1 10 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.202 -0.050 25510 4981 1 10 . 1 1 32 32 GLU C C 32 175.968 175.968 176.505 -0.537 25510 4982 1 10 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.529 0.252 25510 4983 1 10 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.031 2.030 25510 4984 1 10 . 1 1 32 32 GLU H H 32 7.808 7.808 8.505 -0.697 25510 4985 1 10 . 1 1 33 33 PHE N N 33 114.045 114.045 117.608 -3.563 25510 4986 1 10 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.542 -0.072 25510 4987 1 10 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.657 -1.159 25510 4988 1 10 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.984 1.559 25510 4989 1 10 . 1 1 33 33 PHE H H 33 8.390 8.390 7.563 0.827 25510 4990 1 10 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.956 0.314 25510 4991 1 10 . 1 1 34 34 GLN C C 34 174.516 174.516 175.131 -0.615 25510 4992 1 10 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.028 0.126 25510 4993 1 10 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.917 -0.596 25510 4994 1 10 . 1 1 34 34 GLN H H 34 7.968 7.968 8.146 -0.178 25510 4995 1 10 . 1 1 35 35 ILE N N 35 119.653 119.653 120.839 -1.186 25510 4996 1 10 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.884 0.487 25510 4997 1 10 . 1 1 35 35 ILE C C 35 173.592 173.592 175.669 -2.077 25510 4998 1 10 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.450 -2.040 25510 4999 1 10 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.726 3.031 25510 5000 1 10 . 1 1 35 35 ILE H H 35 7.455 7.455 8.270 -0.815 25510 5001 1 10 . 1 1 36 36 ALA N N 36 126.668 126.668 129.608 -2.940 25510 5002 1 10 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.268 -0.000 25510 5003 1 10 . 1 1 36 36 ALA C C 36 178.784 178.784 177.786 0.998 25510 5004 1 10 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.630 -0.448 25510 5005 1 10 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.641 -0.376 25510 5006 1 10 . 1 1 36 36 ALA H H 36 8.238 8.238 8.297 -0.059 25510 5007 1 10 . 1 1 37 37 ARG N N 37 123.068 123.068 123.528 -0.460 25510 5008 1 10 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.053 -0.237 25510 5009 1 10 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.714 1.124 25510 5010 1 10 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.368 -0.436 25510 5011 1 10 . 1 1 37 37 ARG H H 37 8.820 8.820 8.937 -0.117 25510 5012 1 10 . 1 1 38 38 SER N N 38 112.348 112.348 114.232 -1.884 25510 5013 1 10 . 1 1 38 38 SER HA H 38 4.178 4.178 4.356 -0.178 25510 5014 1 10 . 1 1 38 38 SER C C 38 178.315 178.315 175.851 2.464 25510 5015 1 10 . 1 1 38 38 SER CA C 38 60.772 60.772 61.112 -0.340 25510 5016 1 10 . 1 1 38 38 SER CB C 38 62.061 62.061 63.333 -1.272 25510 5017 1 10 . 1 1 38 38 SER H H 38 8.517 8.517 8.303 0.214 25510 5018 1 10 . 1 1 39 39 THR N N 39 117.311 117.311 113.116 4.195 25510 5019 1 10 . 1 1 39 39 THR HA H 39 4.025 4.025 4.106 -0.081 25510 5020 1 10 . 1 1 39 39 THR C C 39 175.203 175.203 175.698 -0.495 25510 5021 1 10 . 1 1 39 39 THR CA C 39 64.904 64.904 64.437 0.467 25510 5022 1 10 . 1 1 39 39 THR CB C 39 68.726 68.726 68.318 0.408 25510 5023 1 10 . 1 1 39 39 THR H H 39 7.231 7.231 8.220 -0.989 25510 5024 1 10 . 1 1 40 40 LEU N N 40 118.713 118.713 120.418 -1.705 25510 5025 1 10 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.957 0.074 25510 5026 1 10 . 1 1 40 40 LEU C C 40 177.743 177.743 178.142 -0.399 25510 5027 1 10 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.866 -0.803 25510 5028 1 10 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.361 0.933 25510 5029 1 10 . 1 1 40 40 LEU H H 40 7.552 7.552 7.274 0.278 25510 5030 1 10 . 1 1 41 41 ASP N N 41 119.468 119.468 119.609 -0.141 25510 5031 1 10 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.449 0.048 25510 5032 1 10 . 1 1 41 41 ASP C C 41 177.111 177.111 177.831 -0.720 25510 5033 1 10 . 1 1 41 41 ASP CA C 41 56.594 56.594 57.382 -0.788 25510 5034 1 10 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.009 -1.055 25510 5035 1 10 . 1 1 41 41 ASP H H 41 8.153 8.153 7.795 0.358 25510 5036 1 10 . 1 1 42 42 VAL N N 42 111.960 111.960 114.199 -2.239 25510 5037 1 10 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.621 -0.293 25510 5038 1 10 . 1 1 42 42 VAL C C 42 175.994 175.994 175.968 0.026 25510 5039 1 10 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.822 -0.080 25510 5040 1 10 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.349 1.392 25510 5041 1 10 . 1 1 42 42 VAL H H 42 7.293 7.293 7.493 -0.200 25510 5042 1 10 . 1 1 43 43 ALA N N 43 124.575 124.575 124.415 0.160 25510 5043 1 10 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.944 0.382 25510 5044 1 10 . 1 1 43 43 ALA C C 43 177.972 177.972 178.999 -1.027 25510 5045 1 10 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.530 -2.452 25510 5046 1 10 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.104 1.347 25510 5047 1 10 . 1 1 43 43 ALA H H 43 7.626 7.626 7.790 -0.164 25510 5048 1 10 . 1 1 44 44 ASP N N 44 119.810 119.810 117.328 2.482 25510 5049 1 10 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.251 -0.191 25510 5050 1 10 . 1 1 44 44 ASP C C 44 179.346 179.346 177.989 1.357 25510 5051 1 10 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.886 1.438 25510 5052 1 10 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.179 -8.247 25510 5053 1 10 . 1 1 44 44 ASP H H 44 8.002 8.002 8.765 -0.763 25510 5054 1 10 . 1 1 45 45 ARG N N 45 123.564 123.564 118.857 4.707 25510 5055 1 10 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.252 -0.483 25510 5056 1 10 . 1 1 45 45 ARG C C 45 177.492 177.492 178.297 -0.805 25510 5057 1 10 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.232 2.577 25510 5058 1 10 . 1 1 45 45 ARG CB C 45 33.014 33.014 29.984 3.030 25510 5059 1 10 . 1 1 45 45 ARG H H 45 8.611 8.611 7.495 1.116 25510 5060 1 10 . 1 1 46 46 THR N N 46 118.315 118.315 114.185 4.130 25510 5061 1 10 . 1 1 46 46 THR HA H 46 4.051 4.051 4.322 -0.271 25510 5062 1 10 . 1 1 46 46 THR C C 46 179.947 179.947 176.552 3.395 25510 5063 1 10 . 1 1 46 46 THR CA C 46 59.605 59.605 65.977 -6.372 25510 5064 1 10 . 1 1 46 46 THR CB C 46 32.375 32.375 68.942 -36.567 25510 5065 1 10 . 1 1 46 46 THR H H 46 8.182 8.182 7.575 0.607 25510 5066 1 10 . 1 1 47 47 GLU N N 47 118.691 118.691 121.651 -2.960 25510 5067 1 10 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.211 -0.189 25510 5068 1 10 . 1 1 47 47 GLU C C 47 179.758 179.758 178.824 0.934 25510 5069 1 10 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.428 -0.229 25510 5070 1 10 . 1 1 47 47 GLU H H 47 8.117 8.117 7.695 0.422 25510 5071 1 10 . 1 1 48 48 LEU N N 48 120.020 120.020 121.101 -1.081 25510 5072 1 10 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.915 -0.156 25510 5073 1 10 . 1 1 48 48 LEU C C 48 177.474 177.474 178.687 -1.213 25510 5074 1 10 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.025 0.549 25510 5075 1 10 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.654 -0.052 25510 5076 1 10 . 1 1 48 48 LEU H H 48 8.355 8.355 8.373 -0.018 25510 5077 1 10 . 1 1 49 49 ALA N N 49 120.164 120.164 120.964 -0.800 25510 5078 1 10 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.898 -0.209 25510 5079 1 10 . 1 1 49 49 ALA C C 49 178.552 178.552 179.032 -0.480 25510 5080 1 10 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.219 0.910 25510 5081 1 10 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.917 -0.281 25510 5082 1 10 . 1 1 49 49 ALA H H 49 8.224 8.224 8.005 0.219 25510 5083 1 10 . 1 1 50 50 ASP N N 50 115.824 115.824 118.572 -2.748 25510 5084 1 10 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.344 0.074 25510 5085 1 10 . 1 1 50 50 ASP C C 50 179.108 179.108 178.296 0.812 25510 5086 1 10 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.075 0.846 25510 5087 1 10 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.117 -1.354 25510 5088 1 10 . 1 1 50 50 ASP H H 50 8.041 8.041 7.645 0.396 25510 5089 1 10 . 1 1 51 51 HIS N N 51 117.866 117.866 119.915 -2.049 25510 5090 1 10 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.236 0.229 25510 5091 1 10 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.877 -1.387 25510 5092 1 10 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.205 -2.140 25510 5093 1 10 . 1 1 51 51 HIS H H 51 8.541 8.541 8.341 0.200 25510 5094 1 10 . 1 1 52 52 LEU N N 52 120.279 120.279 117.797 2.482 25510 5095 1 10 . 1 1 52 52 LEU HA H 52 3.626 3.626 4.047 -0.421 25510 5096 1 10 . 1 1 52 52 LEU C C 52 178.488 178.488 178.319 0.169 25510 5097 1 10 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.785 0.595 25510 5098 1 10 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.911 -1.480 25510 5099 1 10 . 1 1 52 52 LEU H H 52 8.529 8.529 7.823 0.706 25510 5100 1 10 . 1 1 53 53 ILE N N 53 119.478 119.478 118.505 0.973 25510 5101 1 10 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.826 -0.387 25510 5102 1 10 . 1 1 53 53 ILE C C 53 178.798 178.798 178.385 0.413 25510 5103 1 10 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.700 0.285 25510 5104 1 10 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.364 0.289 25510 5105 1 10 . 1 1 53 53 ILE H H 53 8.069 8.069 7.539 0.530 25510 5106 1 10 . 1 1 54 54 GLN N N 54 119.904 119.904 118.148 1.756 25510 5107 1 10 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.035 -0.015 25510 5108 1 10 . 1 1 54 54 GLN C C 54 177.668 177.668 177.156 0.512 25510 5109 1 10 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.145 0.515 25510 5110 1 10 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.453 0.036 25510 5111 1 10 . 1 1 54 54 GLN H H 54 8.382 8.382 7.668 0.714 25510 5112 1 10 . 1 1 55 55 SER N N 55 110.647 110.647 115.256 -4.609 25510 5113 1 10 . 1 1 55 55 SER HA H 55 4.353 4.353 4.058 0.295 25510 5114 1 10 . 1 1 55 55 SER C C 55 175.910 175.910 174.805 1.105 25510 5115 1 10 . 1 1 55 55 SER CA C 55 61.019 61.019 60.558 0.461 25510 5116 1 10 . 1 1 55 55 SER CB C 55 63.997 63.997 63.107 0.890 25510 5117 1 10 . 1 1 55 55 SER H H 55 7.623 7.623 7.156 0.467 25510 5118 1 10 . 1 1 56 56 ALA N N 56 118.590 118.590 119.424 -0.834 25510 5119 1 10 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.521 0.204 25510 5120 1 10 . 1 1 56 56 ALA C C 56 178.537 178.537 176.674 1.863 25510 5121 1 10 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.002 0.710 25510 5122 1 10 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.892 0.870 25510 5123 1 10 . 1 1 56 56 ALA H H 56 7.908 7.908 7.646 0.262 25510 5124 1 10 . 1 1 57 57 GLY N N 57 109.060 109.060 107.344 1.716 25510 5125 1 10 . 1 1 57 57 GLY C C 57 174.410 174.410 174.327 0.083 25510 5126 1 10 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.615 -0.384 25510 5127 1 10 . 1 1 57 57 GLY H H 57 7.996 7.996 7.467 0.529 25510 5128 1 10 . 1 1 58 58 ALA N N 58 123.460 123.460 123.132 0.328 25510 5129 1 10 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.144 -0.138 25510 5130 1 10 . 1 1 58 58 ALA C C 58 177.285 177.285 179.274 -1.989 25510 5131 1 10 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.637 2.444 25510 5132 1 10 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.958 0.248 25510 5133 1 10 . 1 1 58 58 ALA H H 58 8.710 8.710 8.494 0.216 25510 5134 1 10 . 1 1 59 59 ALA N N 59 118.918 118.918 119.602 -0.684 25510 5135 1 10 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.185 -1.238 25510 5136 1 10 . 1 1 59 59 ALA C C 59 181.017 181.017 179.720 1.297 25510 5137 1 10 . 1 1 59 59 ALA CA C 59 55.393 55.393 55.193 0.200 25510 5138 1 10 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.426 -0.396 25510 5139 1 10 . 1 1 59 59 ALA H H 59 8.272 8.272 8.409 -0.137 25510 5140 1 10 . 1 1 60 60 SER N N 60 112.905 112.905 114.799 -1.894 25510 5141 1 10 . 1 1 60 60 SER HA H 60 4.130 4.130 4.138 -0.008 25510 5142 1 10 . 1 1 60 60 SER C C 60 176.246 176.246 176.405 -0.159 25510 5143 1 10 . 1 1 60 60 SER CA C 60 60.601 60.601 62.003 -1.402 25510 5144 1 10 . 1 1 60 60 SER CB C 60 62.796 62.796 62.512 0.284 25510 5145 1 10 . 1 1 60 60 SER H H 60 8.218 8.218 8.205 0.013 25510 5146 1 10 . 1 1 61 61 ALA N N 61 121.207 121.207 123.615 -2.408 25510 5147 1 10 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.165 -0.009 25510 5148 1 10 . 1 1 61 61 ALA C C 61 179.639 179.639 179.633 0.006 25510 5149 1 10 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.803 0.852 25510 5150 1 10 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.375 0.175 25510 5151 1 10 . 1 1 61 61 ALA H H 61 8.583 8.583 7.345 1.238 25510 5152 1 10 . 1 1 62 62 VAL N N 62 116.024 116.024 117.670 -1.646 25510 5153 1 10 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.528 0.145 25510 5154 1 10 . 1 1 62 62 VAL C C 62 177.567 177.567 178.143 -0.576 25510 5155 1 10 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.340 1.563 25510 5156 1 10 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.606 -0.053 25510 5157 1 10 . 1 1 62 62 VAL H H 62 7.517 7.517 7.842 -0.325 25510 5158 1 10 . 1 1 63 63 THR N N 63 117.797 117.797 115.501 2.296 25510 5159 1 10 . 1 1 63 63 THR HA H 63 4.318 4.318 4.178 0.140 25510 5160 1 10 . 1 1 63 63 THR C C 63 176.800 176.800 176.688 0.112 25510 5161 1 10 . 1 1 63 63 THR CA C 63 68.590 68.590 66.788 1.802 25510 5162 1 10 . 1 1 63 63 THR CB C 63 67.818 67.818 68.903 -1.085 25510 5163 1 10 . 1 1 63 63 THR H H 63 8.007 8.007 7.884 0.123 25510 5164 1 10 . 1 1 64 64 LYS N N 64 121.300 121.300 121.551 -0.251 25510 5165 1 10 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.179 -0.282 25510 5166 1 10 . 1 1 64 64 LYS C C 64 178.721 178.721 178.365 0.356 25510 5167 1 10 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.638 1.304 25510 5168 1 10 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.277 2.961 25510 5169 1 10 . 1 1 64 64 LYS H H 64 8.771 8.771 7.654 1.117 25510 5170 1 10 . 1 1 65 65 ALA N N 65 121.115 121.115 122.644 -1.529 25510 5171 1 10 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.239 -0.187 25510 5172 1 10 . 1 1 65 65 ALA C C 65 178.759 178.759 179.480 -0.721 25510 5173 1 10 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.072 0.978 25510 5174 1 10 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.234 0.010 25510 5175 1 10 . 1 1 65 65 ALA H H 65 8.598 8.598 8.273 0.325 25510 5176 1 10 . 1 1 66 66 ILE N N 66 118.735 118.735 118.008 0.727 25510 5177 1 10 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.809 -0.160 25510 5178 1 10 . 1 1 66 66 ILE C C 66 177.252 177.252 177.705 -0.453 25510 5179 1 10 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.827 4.132 25510 5180 1 10 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.037 1.012 25510 5181 1 10 . 1 1 66 66 ILE H H 66 8.657 8.657 7.692 0.965 25510 5182 1 10 . 1 1 67 67 ASN N N 67 117.463 117.463 118.297 -0.834 25510 5183 1 10 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.495 -0.088 25510 5184 1 10 . 1 1 67 67 ASN C C 67 178.095 178.095 178.122 -0.027 25510 5185 1 10 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.545 0.024 25510 5186 1 10 . 1 1 67 67 ASN CB C 67 38.381 38.381 37.978 0.403 25510 5187 1 10 . 1 1 67 67 ASN H H 67 7.525 7.525 7.620 -0.095 25510 5188 1 10 . 1 1 68 68 ILE N N 68 120.886 120.886 120.600 0.286 25510 5189 1 10 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.601 -0.355 25510 5190 1 10 . 1 1 68 68 ILE C C 68 177.540 177.540 177.695 -0.155 25510 5191 1 10 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.996 1.220 25510 5192 1 10 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.079 -0.663 25510 5193 1 10 . 1 1 68 68 ILE H H 68 8.170 8.170 7.716 0.454 25510 5194 1 10 . 1 1 69 69 PHE N N 69 117.836 117.836 119.774 -1.938 25510 5195 1 10 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.103 0.295 25510 5196 1 10 . 1 1 69 69 PHE C C 69 178.279 178.279 177.226 1.053 25510 5197 1 10 . 1 1 69 69 PHE CA C 69 62.837 62.837 62.022 0.815 25510 5198 1 10 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.198 -1.204 25510 5199 1 10 . 1 1 69 69 PHE H H 69 8.963 8.963 8.471 0.492 25510 5200 1 10 . 1 1 70 70 GLN N N 70 118.145 118.145 118.285 -0.140 25510 5201 1 10 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.762 0.380 25510 5202 1 10 . 1 1 70 70 GLN C C 70 180.057 180.057 178.051 2.006 25510 5203 1 10 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.753 1.033 25510 5204 1 10 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.385 -0.712 25510 5205 1 10 . 1 1 70 70 GLN H H 70 8.480 8.480 8.241 0.239 25510 5206 1 10 . 1 1 71 71 LYS N N 71 123.368 123.368 117.559 5.809 25510 5207 1 10 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.024 -0.099 25510 5208 1 10 . 1 1 71 71 LYS C C 71 178.755 178.755 177.448 1.307 25510 5209 1 10 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.114 1.388 25510 5210 1 10 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.228 -0.200 25510 5211 1 10 . 1 1 71 71 LYS H H 71 8.099 8.099 7.475 0.624 25510 5212 1 10 . 1 1 72 72 LEU N N 72 117.830 117.830 118.468 -0.638 25510 5213 1 10 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.195 -0.203 25510 5214 1 10 . 1 1 72 72 LEU C C 72 175.462 175.462 177.569 -2.107 25510 5215 1 10 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.130 -1.061 25510 5216 1 10 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.900 -0.745 25510 5217 1 10 . 1 1 72 72 LEU H H 72 7.866 7.866 7.243 0.623 25510 5218 1 10 . 1 1 73 73 ASN N N 73 113.996 113.996 115.001 -1.005 25510 5219 1 10 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.557 -0.218 25510 5220 1 10 . 1 1 73 73 ASN C C 73 175.753 175.753 174.689 1.064 25510 5221 1 10 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.603 0.871 25510 5222 1 10 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.320 -3.841 25510 5223 1 10 . 1 1 73 73 ASN H H 73 8.026 8.026 7.858 0.168 25510 5224 1 10 . 1 1 74 74 TYR N N 74 122.244 122.244 118.120 4.124 25510 5225 1 10 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.840 0.437 25510 5226 1 10 . 1 1 74 74 TYR C C 74 177.548 177.548 175.594 1.954 25510 5227 1 10 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.762 -2.703 25510 5228 1 10 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.002 -2.626 25510 5229 1 10 . 1 1 74 74 TYR H H 74 8.613 8.613 6.969 1.644 25510 5230 1 10 . 1 1 75 75 MET N N 75 117.619 117.619 119.619 -2.000 25510 5231 1 10 . 1 1 75 75 MET HA H 75 4.275 4.275 3.988 0.287 25510 5232 1 10 . 1 1 75 75 MET C C 75 178.716 178.716 176.138 2.578 25510 5233 1 10 . 1 1 75 75 MET CA C 75 57.231 57.231 59.242 -2.011 25510 5234 1 10 . 1 1 75 75 MET CB C 75 30.304 30.304 31.956 -1.652 25510 5235 1 10 . 1 1 75 75 MET H H 75 7.722 7.722 7.853 -0.131 25510 5236 1 10 . 1 1 76 76 HIS N N 76 117.559 117.559 118.485 -0.926 25510 5237 1 10 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.484 -0.017 25510 5238 1 10 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.004 -0.007 25510 5239 1 10 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.498 -2.061 25510 5240 1 10 . 1 1 76 76 HIS H H 76 8.865 8.865 7.986 0.879 25510 5241 1 10 . 1 1 77 77 ILE N N 77 119.750 119.750 120.108 -0.358 25510 5242 1 10 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.740 -0.156 25510 5243 1 10 . 1 1 77 77 ILE C C 77 177.168 177.168 178.017 -0.849 25510 5244 1 10 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.970 0.234 25510 5245 1 10 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.739 0.061 25510 5246 1 10 . 1 1 77 77 ILE H H 77 7.356 7.356 7.567 -0.211 25510 5247 1 10 . 1 1 78 78 ALA N N 78 120.662 120.662 121.815 -1.153 25510 5248 1 10 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.904 0.026 25510 5249 1 10 . 1 1 78 78 ALA C C 78 178.936 178.936 178.536 0.400 25510 5250 1 10 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.671 0.750 25510 5251 1 10 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.049 0.938 25510 5252 1 10 . 1 1 78 78 ALA H H 78 8.054 8.054 8.666 -0.612 25510 5253 1 10 . 1 1 79 79 ASN N N 79 114.176 114.176 117.516 -3.340 25510 5254 1 10 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.641 -0.197 25510 5255 1 10 . 1 1 79 79 ASN C C 79 177.625 177.625 177.217 0.408 25510 5256 1 10 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.288 -0.237 25510 5257 1 10 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.362 -0.138 25510 5258 1 10 . 1 1 79 79 ASN H H 79 8.531 8.531 8.000 0.531 25510 5259 1 10 . 1 1 80 80 ALA N N 80 123.670 123.670 121.816 1.854 25510 5260 1 10 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.177 -0.049 25510 5261 1 10 . 1 1 80 80 ALA C C 80 180.727 180.727 179.682 1.045 25510 5262 1 10 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.692 0.470 25510 5263 1 10 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.428 -0.166 25510 5264 1 10 . 1 1 80 80 ALA H H 80 7.822 7.822 7.771 0.051 25510 5265 1 10 . 1 1 81 81 LEU N N 81 120.065 120.065 118.964 1.101 25510 5266 1 10 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.999 -0.007 25510 5267 1 10 . 1 1 81 81 LEU C C 81 177.550 177.550 179.432 -1.882 25510 5268 1 10 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.235 0.638 25510 5269 1 10 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.797 0.542 25510 5270 1 10 . 1 1 81 81 LEU H H 81 8.526 8.526 7.309 1.217 25510 5271 1 10 . 1 1 82 82 GLU N N 82 119.844 119.844 118.534 1.310 25510 5272 1 10 . 1 1 82 82 GLU HA H 82 3.995 3.995 4.031 -0.036 25510 5273 1 10 . 1 1 82 82 GLU C C 82 178.510 178.510 178.991 -0.481 25510 5274 1 10 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.112 0.559 25510 5275 1 10 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.817 -0.013 25510 5276 1 10 . 1 1 82 82 GLU H H 82 8.429 8.429 8.687 -0.258 25510 5277 1 10 . 1 1 83 83 GLU N N 83 118.585 118.585 119.798 -1.213 25510 5278 1 10 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.156 -0.102 25510 5279 1 10 . 1 1 83 83 GLU C C 83 179.516 179.516 178.601 0.915 25510 5280 1 10 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.481 1.423 25510 5281 1 10 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.992 -0.033 25510 5282 1 10 . 1 1 83 83 GLU H H 83 8.138 8.138 7.936 0.202 25510 5283 1 10 . 1 1 84 84 LYS N N 84 119.135 119.135 120.113 -0.978 25510 5284 1 10 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.070 0.050 25510 5285 1 10 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.996 0.712 25510 5286 1 10 . 1 1 84 84 LYS H H 84 8.690 8.690 7.917 0.773 25510 5287 1 10 . 1 1 85 85 LYS N N 85 118.012 118.012 118.823 -0.811 25510 5288 1 10 . 1 1 85 85 LYS HA H 85 4.457 4.457 3.956 0.501 25510 5289 1 10 . 1 1 85 85 LYS H H 85 8.109 8.109 7.618 0.491 25510 5290 1 10 . 1 1 86 86 LYS N N 86 119.839 119.839 118.647 1.192 25510 5291 1 10 . 1 1 86 86 LYS HA H 86 3.918 3.918 3.928 -0.010 25510 5292 1 10 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.625 3.673 25510 5293 1 10 . 1 1 86 86 LYS H H 86 8.577 8.577 7.722 0.855 25510 5294 1 10 . 1 1 87 87 GLU N N 87 119.674 119.674 118.016 1.658 25510 5295 1 10 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.171 -0.180 25510 5296 1 10 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.240 0.999 25510 5297 1 10 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.870 -0.758 25510 5298 1 10 . 1 1 87 87 GLU H H 87 8.402 8.402 7.725 0.677 25510 5299 1 10 . 1 1 88 88 ALA N N 88 121.869 121.869 122.644 -0.775 25510 5300 1 10 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.812 0.270 25510 5301 1 10 . 1 1 88 88 ALA C C 88 179.999 179.999 178.981 1.018 25510 5302 1 10 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.628 0.310 25510 5303 1 10 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.496 0.921 25510 5304 1 10 . 1 1 88 88 ALA H H 88 8.043 8.043 7.713 0.330 25510 5305 1 10 . 1 1 89 89 GLU N N 89 115.931 115.931 118.073 -2.142 25510 5306 1 10 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.901 0.103 25510 5307 1 10 . 1 1 89 89 GLU C C 89 178.454 178.454 179.339 -0.885 25510 5308 1 10 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.353 -0.959 25510 5309 1 10 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.540 -0.396 25510 5310 1 10 . 1 1 89 89 GLU H H 89 8.058 8.058 7.809 0.249 25510 5311 1 10 . 1 1 90 90 ARG N N 90 119.607 119.607 116.616 2.991 25510 5312 1 10 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.213 -0.030 25510 5313 1 10 . 1 1 90 90 ARG C C 90 177.870 177.870 178.564 -0.694 25510 5314 1 10 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.182 0.083 25510 5315 1 10 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.849 0.400 25510 5316 1 10 . 1 1 90 90 ARG H H 90 7.791 7.791 7.806 -0.015 25510 5317 1 10 . 1 1 91 91 LYS N N 91 118.638 118.638 118.924 -0.286 25510 5318 1 10 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.223 -0.026 25510 5319 1 10 . 1 1 91 91 LYS C C 91 177.087 177.087 176.936 0.151 25510 5320 1 10 . 1 1 91 91 LYS CA C 91 57.606 57.606 57.968 -0.362 25510 5321 1 10 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.416 0.204 25510 5322 1 10 . 1 1 91 91 LYS H H 91 7.709 7.709 7.573 0.136 25510 5323 1 10 . 1 1 92 92 LEU N N 92 119.640 119.640 118.335 1.305 25510 5324 1 10 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.468 -0.139 25510 5325 1 10 . 1 1 92 92 LEU C C 92 177.464 177.464 177.019 0.445 25510 5326 1 10 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.248 0.370 25510 5327 1 10 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.414 -0.059 25510 5328 1 10 . 1 1 92 92 LEU H H 92 7.766 7.766 7.434 0.332 25510 5329 1 10 . 1 1 93 93 MET N N 93 119.121 119.121 117.693 1.428 25510 5330 1 10 . 1 1 93 93 MET HA H 93 4.570 4.570 4.560 0.010 25510 5331 1 10 . 1 1 93 93 MET C C 93 176.224 176.224 176.627 -0.403 25510 5332 1 10 . 1 1 93 93 MET CA C 93 55.648 55.648 55.243 0.405 25510 5333 1 10 . 1 1 93 93 MET CB C 93 32.978 32.978 32.947 0.031 25510 5334 1 10 . 1 1 93 93 MET H H 93 7.973 7.973 7.573 0.400 25510 5335 1 10 . 1 1 94 94 THR N N 94 114.125 114.125 113.162 0.963 25510 5336 1 10 . 1 1 94 94 THR HA H 94 4.375 4.375 4.635 -0.260 25510 5337 1 10 . 1 1 94 94 THR C C 94 173.550 173.550 174.059 -0.509 25510 5338 1 10 . 1 1 94 94 THR CA C 94 61.682 61.682 60.296 1.386 25510 5339 1 10 . 1 1 94 94 THR CB C 94 70.027 70.027 71.060 -1.033 25510 5340 1 10 . 1 1 94 94 THR H H 94 8.025 8.025 7.518 0.507 25510 5341 1 11 . 1 1 2 2 GLU N N 2 119.768 119.768 120.391 -0.623 25510 5342 1 11 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.101 -0.081 25510 5343 1 11 . 1 1 2 2 GLU C C 2 178.535 178.535 177.541 0.994 25510 5344 1 11 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.216 1.533 25510 5345 1 11 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.391 -0.284 25510 5346 1 11 . 1 1 2 2 GLU H H 2 8.426 8.426 8.873 -0.447 25510 5347 1 11 . 1 1 3 3 SER N N 3 113.553 113.553 114.847 -1.294 25510 5348 1 11 . 1 1 3 3 SER HA H 3 4.235 4.235 4.192 0.043 25510 5349 1 11 . 1 1 3 3 SER C C 3 176.578 176.578 176.437 0.141 25510 5350 1 11 . 1 1 3 3 SER CA C 3 61.448 61.448 61.003 0.445 25510 5351 1 11 . 1 1 3 3 SER CB C 3 62.746 62.746 62.122 0.624 25510 5352 1 11 . 1 1 3 3 SER H H 3 8.151 8.151 8.436 -0.285 25510 5353 1 11 . 1 1 4 4 GLU N N 4 122.599 122.599 122.238 0.361 25510 5354 1 11 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.115 -0.038 25510 5355 1 11 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.809 0.606 25510 5356 1 11 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.512 -1.251 25510 5357 1 11 . 1 1 4 4 GLU H H 4 8.051 8.051 7.710 0.341 25510 5358 1 11 . 1 1 5 5 TYR N N 5 119.991 119.991 120.479 -0.488 25510 5359 1 11 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.190 0.282 25510 5360 1 11 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.202 -0.289 25510 5361 1 11 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.417 -0.465 25510 5362 1 11 . 1 1 5 5 TYR H H 5 8.339 8.339 7.472 0.867 25510 5363 1 11 . 1 1 6 6 ARG N N 6 120.010 120.010 118.021 1.989 25510 5364 1 11 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.757 0.002 25510 5365 1 11 . 1 1 6 6 ARG C C 6 177.365 177.365 177.962 -0.597 25510 5366 1 11 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.188 1.473 25510 5367 1 11 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.600 0.738 25510 5368 1 11 . 1 1 6 6 ARG H H 6 8.202 8.202 7.781 0.421 25510 5369 1 11 . 1 1 7 7 GLU N N 7 116.287 116.287 121.075 -4.788 25510 5370 1 11 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.959 0.091 25510 5371 1 11 . 1 1 7 7 GLU C C 7 178.544 178.544 178.603 -0.059 25510 5372 1 11 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.263 0.151 25510 5373 1 11 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.606 -0.583 25510 5374 1 11 . 1 1 7 7 GLU H H 7 8.165 8.165 8.114 0.051 25510 5375 1 11 . 1 1 8 8 MET N N 8 116.181 116.181 118.922 -2.741 25510 5376 1 11 . 1 1 8 8 MET HA H 8 4.411 4.411 4.174 0.237 25510 5377 1 11 . 1 1 8 8 MET C C 8 177.616 177.616 178.106 -0.490 25510 5378 1 11 . 1 1 8 8 MET CA C 8 59.067 59.067 57.713 1.354 25510 5379 1 11 . 1 1 8 8 MET CB C 8 32.089 32.089 32.262 -0.173 25510 5380 1 11 . 1 1 8 8 MET H H 8 8.168 8.168 7.851 0.317 25510 5381 1 11 . 1 1 9 9 LEU N N 9 122.056 122.056 119.970 2.086 25510 5382 1 11 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.953 0.028 25510 5383 1 11 . 1 1 9 9 LEU C C 9 177.211 177.211 178.821 -1.610 25510 5384 1 11 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.577 0.924 25510 5385 1 11 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.374 0.924 25510 5386 1 11 . 1 1 9 9 LEU H H 9 7.883 7.883 7.380 0.503 25510 5387 1 11 . 1 1 10 10 LEU N N 10 117.952 117.952 118.978 -1.026 25510 5388 1 11 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.793 0.161 25510 5389 1 11 . 1 1 10 10 LEU C C 10 176.132 176.132 178.811 -2.679 25510 5390 1 11 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.764 0.628 25510 5391 1 11 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.763 1.969 25510 5392 1 11 . 1 1 10 10 LEU H H 10 8.011 8.011 7.802 0.209 25510 5393 1 11 . 1 1 11 11 LEU N N 11 116.301 116.301 117.302 -1.001 25510 5394 1 11 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.980 0.170 25510 5395 1 11 . 1 1 11 11 LEU C C 11 179.384 179.384 178.481 0.903 25510 5396 1 11 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.089 -0.149 25510 5397 1 11 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.672 0.995 25510 5398 1 11 . 1 1 11 11 LEU H H 11 8.916 8.916 8.160 0.756 25510 5399 1 11 . 1 1 12 12 THR N N 12 112.429 112.429 110.585 1.844 25510 5400 1 11 . 1 1 12 12 THR HA H 12 4.148 4.148 3.888 0.260 25510 5401 1 11 . 1 1 12 12 THR C C 12 174.055 174.055 175.121 -1.066 25510 5402 1 11 . 1 1 12 12 THR CA C 12 65.127 65.127 64.258 0.869 25510 5403 1 11 . 1 1 12 12 THR CB C 12 68.421 68.421 67.933 0.488 25510 5404 1 11 . 1 1 12 12 THR H H 12 7.753 7.753 7.696 0.057 25510 5405 1 11 . 1 1 13 13 GLY N N 13 124.320 124.320 108.905 15.415 25510 5406 1 11 . 1 1 13 13 GLY C C 13 173.259 173.259 176.083 -2.824 25510 5407 1 11 . 1 1 13 13 GLY CA C 13 46.434 46.434 44.796 1.638 25510 5408 1 11 . 1 1 13 13 GLY H H 13 7.019 7.019 7.834 -0.815 25510 5409 1 11 . 1 1 14 14 LEU N N 14 121.922 121.922 122.920 -0.998 25510 5410 1 11 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.089 -0.173 25510 5411 1 11 . 1 1 14 14 LEU C C 14 178.842 178.842 178.422 0.420 25510 5412 1 11 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.571 0.479 25510 5413 1 11 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.206 0.619 25510 5414 1 11 . 1 1 14 14 LEU H H 14 8.941 8.941 7.526 1.415 25510 5415 1 11 . 1 1 15 15 ASP N N 15 115.417 115.417 115.785 -0.368 25510 5416 1 11 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.606 -0.107 25510 5417 1 11 . 1 1 15 15 ASP C C 15 175.905 175.905 176.324 -0.419 25510 5418 1 11 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.013 -0.207 25510 5419 1 11 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.817 -2.991 25510 5420 1 11 . 1 1 15 15 ASP H H 15 9.012 9.012 7.900 1.112 25510 5421 1 11 . 1 1 16 16 HIS N N 16 114.840 114.840 116.473 -1.633 25510 5422 1 11 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.679 0.055 25510 5423 1 11 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.831 -0.260 25510 5424 1 11 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.825 -1.603 25510 5425 1 11 . 1 1 16 16 HIS H H 16 7.807 7.807 7.758 0.049 25510 5426 1 11 . 1 1 17 17 ILE N N 17 111.347 111.347 115.340 -3.993 25510 5427 1 11 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.742 0.219 25510 5428 1 11 . 1 1 17 17 ILE C C 17 176.154 176.154 175.521 0.633 25510 5429 1 11 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.115 0.397 25510 5430 1 11 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.551 -0.877 25510 5431 1 11 . 1 1 17 17 ILE H H 17 7.041 7.041 7.375 -0.334 25510 5432 1 11 . 1 1 18 18 THR N N 18 114.804 114.804 113.308 1.496 25510 5433 1 11 . 1 1 18 18 THR HA H 18 4.384 4.384 4.383 0.001 25510 5434 1 11 . 1 1 18 18 THR C C 18 174.991 174.991 175.717 -0.726 25510 5435 1 11 . 1 1 18 18 THR CA C 18 61.063 61.063 61.379 -0.316 25510 5436 1 11 . 1 1 18 18 THR CB C 18 71.227 71.227 70.076 1.151 25510 5437 1 11 . 1 1 18 18 THR H H 18 8.672 8.672 8.482 0.190 25510 5438 1 11 . 1 1 19 19 GLU N N 19 119.385 119.385 120.803 -1.418 25510 5439 1 11 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.000 0.031 25510 5440 1 11 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.818 0.054 25510 5441 1 11 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.444 -0.493 25510 5442 1 11 . 1 1 19 19 GLU H H 19 8.886 8.886 8.826 0.060 25510 5443 1 11 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.081 0.009 25510 5444 1 11 . 1 1 20 20 GLU C C 20 179.664 179.664 178.930 0.734 25510 5445 1 11 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.030 0.565 25510 5446 1 11 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.006 0.037 25510 5447 1 11 . 1 1 21 21 GLU N N 21 120.346 120.346 119.076 1.270 25510 5448 1 11 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.205 0.065 25510 5449 1 11 . 1 1 21 21 GLU C C 21 179.079 179.079 178.908 0.171 25510 5450 1 11 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.825 0.693 25510 5451 1 11 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.290 0.595 25510 5452 1 11 . 1 1 21 21 GLU H H 21 7.611 7.611 7.698 -0.087 25510 5453 1 11 . 1 1 22 22 LEU N N 22 122.508 122.508 121.789 0.719 25510 5454 1 11 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.206 -0.074 25510 5455 1 11 . 1 1 22 22 LEU C C 22 178.698 178.698 178.386 0.312 25510 5456 1 11 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.171 -0.310 25510 5457 1 11 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.897 -0.177 25510 5458 1 11 . 1 1 22 22 LEU H H 22 9.016 9.016 7.998 1.018 25510 5459 1 11 . 1 1 23 23 LYS N N 23 119.162 119.162 117.770 1.392 25510 5460 1 11 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.139 -0.153 25510 5461 1 11 . 1 1 23 23 LYS C C 23 179.624 179.624 179.044 0.580 25510 5462 1 11 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.555 1.136 25510 5463 1 11 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.112 0.282 25510 5464 1 11 . 1 1 23 23 LYS H H 23 7.777 7.777 7.625 0.152 25510 5465 1 11 . 1 1 24 24 ARG N N 24 119.502 119.502 120.865 -1.363 25510 5466 1 11 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.177 0.024 25510 5467 1 11 . 1 1 24 24 ARG C C 24 178.260 178.260 178.594 -0.334 25510 5468 1 11 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.478 -0.246 25510 5469 1 11 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.269 -0.475 25510 5470 1 11 . 1 1 24 24 ARG H H 24 7.397 7.397 7.508 -0.111 25510 5471 1 11 . 1 1 25 25 PHE N N 25 120.567 120.567 120.304 0.263 25510 5472 1 11 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.305 -0.437 25510 5473 1 11 . 1 1 25 25 PHE C C 25 177.302 177.302 177.191 0.111 25510 5474 1 11 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.424 0.757 25510 5475 1 11 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.097 0.446 25510 5476 1 11 . 1 1 25 25 PHE H H 25 8.798 8.798 8.324 0.474 25510 5477 1 11 . 1 1 26 26 LYS N N 26 117.901 117.901 118.876 -0.975 25510 5478 1 11 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.598 0.076 25510 5479 1 11 . 1 1 26 26 LYS C C 26 177.118 177.118 178.986 -1.868 25510 5480 1 11 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.659 1.303 25510 5481 1 11 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.273 0.766 25510 5482 1 11 . 1 1 26 26 LYS H H 26 8.841 8.841 7.760 1.081 25510 5483 1 11 . 1 1 27 27 TYR N N 27 118.480 118.480 120.906 -2.426 25510 5484 1 11 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.247 -0.091 25510 5485 1 11 . 1 1 27 27 TYR C C 27 178.460 178.460 176.955 1.505 25510 5486 1 11 . 1 1 27 27 TYR CA C 27 61.457 61.457 60.975 0.482 25510 5487 1 11 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.709 -0.962 25510 5488 1 11 . 1 1 27 27 TYR H H 27 7.645 7.645 8.083 -0.438 25510 5489 1 11 . 1 1 28 28 PHE N N 28 117.525 117.525 119.061 -1.536 25510 5490 1 11 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.077 0.169 25510 5491 1 11 . 1 1 28 28 PHE C C 28 178.827 178.827 176.289 2.538 25510 5492 1 11 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.525 0.277 25510 5493 1 11 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.686 0.391 25510 5494 1 11 . 1 1 28 28 PHE H H 28 7.741 7.741 7.840 -0.099 25510 5495 1 11 . 1 1 29 29 ALA N N 29 123.372 123.372 120.418 2.954 25510 5496 1 11 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.196 -0.223 25510 5497 1 11 . 1 1 29 29 ALA C C 29 178.340 178.340 178.250 0.090 25510 5498 1 11 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.822 1.500 25510 5499 1 11 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.173 -1.969 25510 5500 1 11 . 1 1 29 29 ALA H H 29 8.840 8.840 7.969 0.871 25510 5501 1 11 . 1 1 30 30 LEU N N 30 117.039 117.039 120.048 -3.009 25510 5502 1 11 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.809 -0.770 25510 5503 1 11 . 1 1 30 30 LEU C C 30 178.373 178.373 176.982 1.391 25510 5504 1 11 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.714 4.630 25510 5505 1 11 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.350 2.576 25510 5506 1 11 . 1 1 30 30 LEU H H 30 7.443 7.443 7.794 -0.351 25510 5507 1 11 . 1 1 31 31 THR N N 31 125.874 125.874 114.598 11.276 25510 5508 1 11 . 1 1 31 31 THR HA H 31 4.228 4.228 4.061 0.167 25510 5509 1 11 . 1 1 31 31 THR C C 31 176.282 176.282 175.520 0.762 25510 5510 1 11 . 1 1 31 31 THR CA C 31 63.328 63.328 63.527 -0.199 25510 5511 1 11 . 1 1 31 31 THR CB C 31 69.170 69.170 69.493 -0.323 25510 5512 1 11 . 1 1 31 31 THR H H 31 7.014 7.014 7.901 -0.887 25510 5513 1 11 . 1 1 32 32 GLU N N 32 120.558 120.558 119.932 0.626 25510 5514 1 11 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.151 0.001 25510 5515 1 11 . 1 1 32 32 GLU C C 32 175.968 175.968 176.966 -0.998 25510 5516 1 11 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.390 0.391 25510 5517 1 11 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.177 1.884 25510 5518 1 11 . 1 1 32 32 GLU H H 32 7.808 7.808 8.450 -0.642 25510 5519 1 11 . 1 1 33 33 PHE N N 33 114.045 114.045 118.777 -4.732 25510 5520 1 11 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.475 -0.005 25510 5521 1 11 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.466 -0.968 25510 5522 1 11 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.019 1.524 25510 5523 1 11 . 1 1 33 33 PHE H H 33 8.390 8.390 7.398 0.992 25510 5524 1 11 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.949 0.321 25510 5525 1 11 . 1 1 34 34 GLN C C 34 174.516 174.516 175.309 -0.793 25510 5526 1 11 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.878 0.276 25510 5527 1 11 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.505 -0.184 25510 5528 1 11 . 1 1 34 34 GLN H H 34 7.968 7.968 8.032 -0.064 25510 5529 1 11 . 1 1 35 35 ILE N N 35 119.653 119.653 120.729 -1.076 25510 5530 1 11 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.846 0.525 25510 5531 1 11 . 1 1 35 35 ILE C C 35 173.592 173.592 175.433 -1.841 25510 5532 1 11 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.973 -2.563 25510 5533 1 11 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.989 2.768 25510 5534 1 11 . 1 1 35 35 ILE H H 35 7.455 7.455 8.148 -0.693 25510 5535 1 11 . 1 1 36 36 ALA N N 36 126.668 126.668 127.745 -1.077 25510 5536 1 11 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.592 -0.324 25510 5537 1 11 . 1 1 36 36 ALA C C 36 178.784 178.784 178.052 0.732 25510 5538 1 11 . 1 1 36 36 ALA CA C 36 52.182 52.182 51.155 1.027 25510 5539 1 11 . 1 1 36 36 ALA CB C 36 19.265 19.265 20.015 -0.750 25510 5540 1 11 . 1 1 36 36 ALA H H 36 8.238 8.238 8.322 -0.084 25510 5541 1 11 . 1 1 37 37 ARG N N 37 123.068 123.068 124.557 -1.489 25510 5542 1 11 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.052 -0.236 25510 5543 1 11 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.486 1.353 25510 5544 1 11 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.935 -0.003 25510 5545 1 11 . 1 1 37 37 ARG H H 37 8.820 8.820 8.955 -0.135 25510 5546 1 11 . 1 1 38 38 SER N N 38 112.348 112.348 115.634 -3.286 25510 5547 1 11 . 1 1 38 38 SER HA H 38 4.178 4.178 4.295 -0.117 25510 5548 1 11 . 1 1 38 38 SER C C 38 178.315 178.315 176.123 2.192 25510 5549 1 11 . 1 1 38 38 SER CA C 38 60.772 60.772 61.269 -0.497 25510 5550 1 11 . 1 1 38 38 SER CB C 38 62.061 62.061 62.460 -0.399 25510 5551 1 11 . 1 1 38 38 SER H H 38 8.517 8.517 8.518 -0.001 25510 5552 1 11 . 1 1 39 39 THR N N 39 117.311 117.311 114.088 3.223 25510 5553 1 11 . 1 1 39 39 THR HA H 39 4.025 4.025 4.236 -0.211 25510 5554 1 11 . 1 1 39 39 THR C C 39 175.203 175.203 175.836 -0.633 25510 5555 1 11 . 1 1 39 39 THR CA C 39 64.904 64.904 63.677 1.227 25510 5556 1 11 . 1 1 39 39 THR CB C 39 68.726 68.726 68.797 -0.071 25510 5557 1 11 . 1 1 39 39 THR H H 39 7.231 7.231 7.705 -0.474 25510 5558 1 11 . 1 1 40 40 LEU N N 40 118.713 118.713 122.159 -3.446 25510 5559 1 11 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.974 0.057 25510 5560 1 11 . 1 1 40 40 LEU C C 40 177.743 177.743 177.750 -0.007 25510 5561 1 11 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.529 -1.466 25510 5562 1 11 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.829 0.465 25510 5563 1 11 . 1 1 40 40 LEU H H 40 7.552 7.552 7.662 -0.110 25510 5564 1 11 . 1 1 41 41 ASP N N 41 119.468 119.468 118.844 0.624 25510 5565 1 11 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.448 0.049 25510 5566 1 11 . 1 1 41 41 ASP C C 41 177.111 177.111 177.448 -0.337 25510 5567 1 11 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.883 -0.289 25510 5568 1 11 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.406 -1.452 25510 5569 1 11 . 1 1 41 41 ASP H H 41 8.153 8.153 7.851 0.302 25510 5570 1 11 . 1 1 42 42 VAL N N 42 111.960 111.960 111.844 0.116 25510 5571 1 11 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.720 -0.392 25510 5572 1 11 . 1 1 42 42 VAL C C 42 175.994 175.994 175.945 0.049 25510 5573 1 11 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.415 0.327 25510 5574 1 11 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.068 0.673 25510 5575 1 11 . 1 1 42 42 VAL H H 42 7.293 7.293 7.632 -0.339 25510 5576 1 11 . 1 1 43 43 ALA N N 43 124.575 124.575 124.996 -0.421 25510 5577 1 11 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.956 0.370 25510 5578 1 11 . 1 1 43 43 ALA C C 43 177.972 177.972 178.835 -0.863 25510 5579 1 11 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.792 -2.714 25510 5580 1 11 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.501 0.950 25510 5581 1 11 . 1 1 43 43 ALA H H 43 7.626 7.626 8.069 -0.443 25510 5582 1 11 . 1 1 44 44 ASP N N 44 119.810 119.810 117.263 2.547 25510 5583 1 11 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.288 -0.228 25510 5584 1 11 . 1 1 44 44 ASP C C 44 179.346 179.346 177.659 1.687 25510 5585 1 11 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.728 1.596 25510 5586 1 11 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.128 -8.196 25510 5587 1 11 . 1 1 44 44 ASP H H 44 8.002 8.002 8.800 -0.798 25510 5588 1 11 . 1 1 45 45 ARG N N 45 123.564 123.564 117.975 5.589 25510 5589 1 11 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.303 -0.534 25510 5590 1 11 . 1 1 45 45 ARG C C 45 177.492 177.492 178.231 -0.739 25510 5591 1 11 . 1 1 45 45 ARG CA C 45 60.809 60.809 57.820 2.989 25510 5592 1 11 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.519 2.495 25510 5593 1 11 . 1 1 45 45 ARG H H 45 8.611 8.611 7.598 1.013 25510 5594 1 11 . 1 1 46 46 THR N N 46 118.315 118.315 111.514 6.801 25510 5595 1 11 . 1 1 46 46 THR HA H 46 4.051 4.051 4.361 -0.310 25510 5596 1 11 . 1 1 46 46 THR C C 46 179.947 179.947 175.951 3.996 25510 5597 1 11 . 1 1 46 46 THR CA C 46 59.605 59.605 64.406 -4.801 25510 5598 1 11 . 1 1 46 46 THR CB C 46 32.375 32.375 69.650 -37.275 25510 5599 1 11 . 1 1 46 46 THR H H 46 8.182 8.182 7.672 0.510 25510 5600 1 11 . 1 1 47 47 GLU N N 47 118.691 118.691 122.456 -3.765 25510 5601 1 11 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.332 -0.310 25510 5602 1 11 . 1 1 47 47 GLU C C 47 179.758 179.758 179.280 0.478 25510 5603 1 11 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.333 -0.134 25510 5604 1 11 . 1 1 47 47 GLU H H 47 8.117 8.117 7.681 0.436 25510 5605 1 11 . 1 1 48 48 LEU N N 48 120.020 120.020 120.679 -0.659 25510 5606 1 11 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.926 -0.167 25510 5607 1 11 . 1 1 48 48 LEU C C 48 177.474 177.474 178.944 -1.470 25510 5608 1 11 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.355 0.219 25510 5609 1 11 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.604 -0.002 25510 5610 1 11 . 1 1 48 48 LEU H H 48 8.355 8.355 8.435 -0.080 25510 5611 1 11 . 1 1 49 49 ALA N N 49 120.164 120.164 121.217 -1.053 25510 5612 1 11 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.832 -0.143 25510 5613 1 11 . 1 1 49 49 ALA C C 49 178.552 178.552 179.050 -0.498 25510 5614 1 11 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.438 0.691 25510 5615 1 11 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.798 -0.162 25510 5616 1 11 . 1 1 49 49 ALA H H 49 8.224 8.224 8.101 0.123 25510 5617 1 11 . 1 1 50 50 ASP N N 50 115.824 115.824 118.144 -2.320 25510 5618 1 11 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.333 0.085 25510 5619 1 11 . 1 1 50 50 ASP C C 50 179.108 179.108 178.432 0.676 25510 5620 1 11 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.200 0.721 25510 5621 1 11 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.950 -1.187 25510 5622 1 11 . 1 1 50 50 ASP H H 50 8.041 8.041 7.660 0.381 25510 5623 1 11 . 1 1 51 51 HIS N N 51 117.866 117.866 118.592 -0.726 25510 5624 1 11 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.331 0.134 25510 5625 1 11 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.724 -1.234 25510 5626 1 11 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.460 -2.395 25510 5627 1 11 . 1 1 51 51 HIS H H 51 8.541 8.541 8.018 0.523 25510 5628 1 11 . 1 1 52 52 LEU N N 52 120.279 120.279 118.171 2.108 25510 5629 1 11 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.986 -0.360 25510 5630 1 11 . 1 1 52 52 LEU C C 52 178.488 178.488 179.323 -0.835 25510 5631 1 11 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.871 0.509 25510 5632 1 11 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.231 -1.800 25510 5633 1 11 . 1 1 52 52 LEU H H 52 8.529 8.529 8.257 0.272 25510 5634 1 11 . 1 1 53 53 ILE N N 53 119.478 119.478 119.226 0.252 25510 5635 1 11 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.885 -0.446 25510 5636 1 11 . 1 1 53 53 ILE C C 53 178.798 178.798 178.183 0.615 25510 5637 1 11 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.513 2.472 25510 5638 1 11 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.494 1.159 25510 5639 1 11 . 1 1 53 53 ILE H H 53 8.069 8.069 7.657 0.412 25510 5640 1 11 . 1 1 54 54 GLN N N 54 119.904 119.904 116.642 3.262 25510 5641 1 11 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.996 0.024 25510 5642 1 11 . 1 1 54 54 GLN C C 54 177.668 177.668 177.540 0.128 25510 5643 1 11 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.841 0.819 25510 5644 1 11 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.149 0.340 25510 5645 1 11 . 1 1 54 54 GLN H H 54 8.382 8.382 7.792 0.590 25510 5646 1 11 . 1 1 55 55 SER N N 55 110.647 110.647 114.492 -3.845 25510 5647 1 11 . 1 1 55 55 SER HA H 55 4.353 4.353 4.254 0.099 25510 5648 1 11 . 1 1 55 55 SER C C 55 175.910 175.910 174.988 0.922 25510 5649 1 11 . 1 1 55 55 SER CA C 55 61.019 61.019 60.538 0.481 25510 5650 1 11 . 1 1 55 55 SER CB C 55 63.997 63.997 63.324 0.673 25510 5651 1 11 . 1 1 55 55 SER H H 55 7.623 7.623 7.674 -0.051 25510 5652 1 11 . 1 1 56 56 ALA N N 56 118.590 118.590 119.844 -1.254 25510 5653 1 11 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.495 0.230 25510 5654 1 11 . 1 1 56 56 ALA C C 56 178.537 178.537 176.724 1.813 25510 5655 1 11 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.333 0.379 25510 5656 1 11 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.151 0.611 25510 5657 1 11 . 1 1 56 56 ALA H H 56 7.908 7.908 7.613 0.295 25510 5658 1 11 . 1 1 57 57 GLY N N 57 109.060 109.060 105.676 3.384 25510 5659 1 11 . 1 1 57 57 GLY C C 57 174.410 174.410 173.445 0.965 25510 5660 1 11 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.857 -0.626 25510 5661 1 11 . 1 1 57 57 GLY H H 57 7.996 7.996 7.693 0.303 25510 5662 1 11 . 1 1 58 58 ALA N N 58 123.460 123.460 123.126 0.334 25510 5663 1 11 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.133 -0.127 25510 5664 1 11 . 1 1 58 58 ALA C C 58 177.285 177.285 179.359 -2.074 25510 5665 1 11 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.171 1.910 25510 5666 1 11 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.032 0.174 25510 5667 1 11 . 1 1 58 58 ALA H H 58 8.710 8.710 8.437 0.273 25510 5668 1 11 . 1 1 59 59 ALA N N 59 118.918 118.918 120.966 -2.048 25510 5669 1 11 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.177 -1.230 25510 5670 1 11 . 1 1 59 59 ALA C C 59 181.017 181.017 179.484 1.533 25510 5671 1 11 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.810 0.583 25510 5672 1 11 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.060 -0.030 25510 5673 1 11 . 1 1 59 59 ALA H H 59 8.272 8.272 8.608 -0.336 25510 5674 1 11 . 1 1 60 60 SER N N 60 112.905 112.905 114.655 -1.750 25510 5675 1 11 . 1 1 60 60 SER HA H 60 4.130 4.130 4.278 -0.148 25510 5676 1 11 . 1 1 60 60 SER C C 60 176.246 176.246 176.630 -0.384 25510 5677 1 11 . 1 1 60 60 SER CA C 60 60.601 60.601 61.353 -0.752 25510 5678 1 11 . 1 1 60 60 SER CB C 60 62.796 62.796 62.390 0.406 25510 5679 1 11 . 1 1 60 60 SER H H 60 8.218 8.218 8.181 0.037 25510 5680 1 11 . 1 1 61 61 ALA N N 61 121.207 121.207 124.499 -3.292 25510 5681 1 11 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.069 0.087 25510 5682 1 11 . 1 1 61 61 ALA C C 61 179.639 179.639 179.629 0.010 25510 5683 1 11 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.837 0.818 25510 5684 1 11 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.382 0.168 25510 5685 1 11 . 1 1 61 61 ALA H H 61 8.583 8.583 7.437 1.146 25510 5686 1 11 . 1 1 62 62 VAL N N 62 116.024 116.024 116.842 -0.818 25510 5687 1 11 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.601 0.072 25510 5688 1 11 . 1 1 62 62 VAL C C 62 177.567 177.567 178.158 -0.591 25510 5689 1 11 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.725 1.178 25510 5690 1 11 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.216 0.337 25510 5691 1 11 . 1 1 62 62 VAL H H 62 7.517 7.517 7.685 -0.168 25510 5692 1 11 . 1 1 63 63 THR N N 63 117.797 117.797 115.860 1.937 25510 5693 1 11 . 1 1 63 63 THR HA H 63 4.318 4.318 4.181 0.137 25510 5694 1 11 . 1 1 63 63 THR C C 63 176.800 176.800 176.692 0.108 25510 5695 1 11 . 1 1 63 63 THR CA C 63 68.590 68.590 66.296 2.294 25510 5696 1 11 . 1 1 63 63 THR CB C 63 67.818 67.818 68.883 -1.065 25510 5697 1 11 . 1 1 63 63 THR H H 63 8.007 8.007 7.566 0.441 25510 5698 1 11 . 1 1 64 64 LYS N N 64 121.300 121.300 121.746 -0.446 25510 5699 1 11 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.506 -0.609 25510 5700 1 11 . 1 1 64 64 LYS C C 64 178.721 178.721 178.402 0.319 25510 5701 1 11 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.949 0.993 25510 5702 1 11 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.814 2.424 25510 5703 1 11 . 1 1 64 64 LYS H H 64 8.771 8.771 7.992 0.779 25510 5704 1 11 . 1 1 65 65 ALA N N 65 121.115 121.115 122.647 -1.532 25510 5705 1 11 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.247 -0.195 25510 5706 1 11 . 1 1 65 65 ALA C C 65 178.759 178.759 179.592 -0.833 25510 5707 1 11 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.047 1.003 25510 5708 1 11 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.220 0.024 25510 5709 1 11 . 1 1 65 65 ALA H H 65 8.598 8.598 8.298 0.300 25510 5710 1 11 . 1 1 66 66 ILE N N 66 118.735 118.735 117.157 1.578 25510 5711 1 11 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.849 -0.200 25510 5712 1 11 . 1 1 66 66 ILE C C 66 177.252 177.252 177.896 -0.644 25510 5713 1 11 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.612 4.347 25510 5714 1 11 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.170 0.878 25510 5715 1 11 . 1 1 66 66 ILE H H 66 8.657 8.657 7.678 0.979 25510 5716 1 11 . 1 1 67 67 ASN N N 67 117.463 117.463 119.071 -1.608 25510 5717 1 11 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.692 -0.285 25510 5718 1 11 . 1 1 67 67 ASN C C 67 178.095 178.095 178.049 0.046 25510 5719 1 11 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.718 -0.149 25510 5720 1 11 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.347 0.034 25510 5721 1 11 . 1 1 67 67 ASN H H 67 7.525 7.525 7.648 -0.123 25510 5722 1 11 . 1 1 68 68 ILE N N 68 120.886 120.886 120.734 0.152 25510 5723 1 11 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.772 -0.526 25510 5724 1 11 . 1 1 68 68 ILE C C 68 177.540 177.540 177.441 0.099 25510 5725 1 11 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.244 0.972 25510 5726 1 11 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.311 -0.895 25510 5727 1 11 . 1 1 68 68 ILE H H 68 8.170 8.170 7.923 0.247 25510 5728 1 11 . 1 1 69 69 PHE N N 69 117.836 117.836 119.254 -1.418 25510 5729 1 11 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.271 0.127 25510 5730 1 11 . 1 1 69 69 PHE C C 69 178.279 178.279 176.917 1.362 25510 5731 1 11 . 1 1 69 69 PHE CA C 69 62.837 62.837 60.949 1.888 25510 5732 1 11 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.736 -1.742 25510 5733 1 11 . 1 1 69 69 PHE H H 69 8.963 8.963 8.186 0.777 25510 5734 1 11 . 1 1 70 70 GLN N N 70 118.145 118.145 119.201 -1.056 25510 5735 1 11 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.774 0.368 25510 5736 1 11 . 1 1 70 70 GLN C C 70 180.057 180.057 177.700 2.357 25510 5737 1 11 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.439 1.347 25510 5738 1 11 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.202 -0.529 25510 5739 1 11 . 1 1 70 70 GLN H H 70 8.480 8.480 8.132 0.348 25510 5740 1 11 . 1 1 71 71 LYS N N 71 123.368 123.368 118.609 4.759 25510 5741 1 11 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.034 -0.109 25510 5742 1 11 . 1 1 71 71 LYS C C 71 178.755 178.755 176.986 1.769 25510 5743 1 11 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.331 1.171 25510 5744 1 11 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.168 -0.140 25510 5745 1 11 . 1 1 71 71 LYS H H 71 8.099 8.099 7.520 0.579 25510 5746 1 11 . 1 1 72 72 LEU N N 72 117.830 117.830 116.092 1.738 25510 5747 1 11 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.128 -0.136 25510 5748 1 11 . 1 1 72 72 LEU C C 72 175.462 175.462 177.319 -1.857 25510 5749 1 11 . 1 1 72 72 LEU CA C 72 55.069 55.069 55.840 -0.771 25510 5750 1 11 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.292 -0.137 25510 5751 1 11 . 1 1 72 72 LEU H H 72 7.866 7.866 7.276 0.590 25510 5752 1 11 . 1 1 73 73 ASN N N 73 113.996 113.996 113.232 0.764 25510 5753 1 11 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.522 -0.183 25510 5754 1 11 . 1 1 73 73 ASN C C 73 175.753 175.753 174.658 1.095 25510 5755 1 11 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.523 0.951 25510 5756 1 11 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.600 -4.121 25510 5757 1 11 . 1 1 73 73 ASN H H 73 8.026 8.026 7.474 0.552 25510 5758 1 11 . 1 1 74 74 TYR N N 74 122.244 122.244 119.146 3.098 25510 5759 1 11 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.890 0.387 25510 5760 1 11 . 1 1 74 74 TYR C C 74 177.548 177.548 175.184 2.364 25510 5761 1 11 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.682 -2.623 25510 5762 1 11 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.109 -2.733 25510 5763 1 11 . 1 1 74 74 TYR H H 74 8.613 8.613 7.218 1.395 25510 5764 1 11 . 1 1 75 75 MET N N 75 117.619 117.619 120.501 -2.882 25510 5765 1 11 . 1 1 75 75 MET HA H 75 4.275 4.275 4.029 0.246 25510 5766 1 11 . 1 1 75 75 MET C C 75 178.716 178.716 176.321 2.395 25510 5767 1 11 . 1 1 75 75 MET CA C 75 57.231 57.231 59.449 -2.218 25510 5768 1 11 . 1 1 75 75 MET CB C 75 30.304 30.304 32.161 -1.857 25510 5769 1 11 . 1 1 75 75 MET H H 75 7.722 7.722 7.940 -0.218 25510 5770 1 11 . 1 1 76 76 HIS N N 76 117.559 117.559 118.905 -1.346 25510 5771 1 11 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.485 -0.018 25510 5772 1 11 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.241 -0.244 25510 5773 1 11 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.902 -2.465 25510 5774 1 11 . 1 1 76 76 HIS H H 76 8.865 8.865 8.192 0.673 25510 5775 1 11 . 1 1 77 77 ILE N N 77 119.750 119.750 120.029 -0.279 25510 5776 1 11 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.695 -0.111 25510 5777 1 11 . 1 1 77 77 ILE C C 77 177.168 177.168 177.613 -0.445 25510 5778 1 11 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.393 -0.189 25510 5779 1 11 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.985 -0.185 25510 5780 1 11 . 1 1 77 77 ILE H H 77 7.356 7.356 7.754 -0.398 25510 5781 1 11 . 1 1 78 78 ALA N N 78 120.662 120.662 121.008 -0.346 25510 5782 1 11 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.923 0.007 25510 5783 1 11 . 1 1 78 78 ALA C C 78 178.936 178.936 178.790 0.146 25510 5784 1 11 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.433 0.988 25510 5785 1 11 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.266 0.721 25510 5786 1 11 . 1 1 78 78 ALA H H 78 8.054 8.054 8.452 -0.398 25510 5787 1 11 . 1 1 79 79 ASN N N 79 114.176 114.176 117.023 -2.847 25510 5788 1 11 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.482 -0.038 25510 5789 1 11 . 1 1 79 79 ASN C C 79 177.625 177.625 176.531 1.094 25510 5790 1 11 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.935 0.116 25510 5791 1 11 . 1 1 79 79 ASN CB C 79 38.224 38.224 37.727 0.497 25510 5792 1 11 . 1 1 79 79 ASN H H 79 8.531 8.531 7.820 0.711 25510 5793 1 11 . 1 1 80 80 ALA N N 80 123.670 123.670 120.957 2.713 25510 5794 1 11 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.161 -0.033 25510 5795 1 11 . 1 1 80 80 ALA C C 80 180.727 180.727 180.110 0.617 25510 5796 1 11 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.356 0.806 25510 5797 1 11 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.747 -0.485 25510 5798 1 11 . 1 1 80 80 ALA H H 80 7.822 7.822 7.351 0.471 25510 5799 1 11 . 1 1 81 81 LEU N N 81 120.065 120.065 119.986 0.079 25510 5800 1 11 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.890 0.102 25510 5801 1 11 . 1 1 81 81 LEU C C 81 177.550 177.550 178.917 -1.367 25510 5802 1 11 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.925 -0.052 25510 5803 1 11 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.375 0.964 25510 5804 1 11 . 1 1 81 81 LEU H H 81 8.526 8.526 7.574 0.952 25510 5805 1 11 . 1 1 82 82 GLU N N 82 119.844 119.844 119.665 0.179 25510 5806 1 11 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.890 0.105 25510 5807 1 11 . 1 1 82 82 GLU C C 82 178.510 178.510 178.487 0.023 25510 5808 1 11 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.253 0.418 25510 5809 1 11 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.909 -0.105 25510 5810 1 11 . 1 1 82 82 GLU H H 82 8.429 8.429 8.291 0.138 25510 5811 1 11 . 1 1 83 83 GLU N N 83 118.585 118.585 119.890 -1.305 25510 5812 1 11 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.036 0.018 25510 5813 1 11 . 1 1 83 83 GLU C C 83 179.516 179.516 179.025 0.491 25510 5814 1 11 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.813 1.091 25510 5815 1 11 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.915 0.044 25510 5816 1 11 . 1 1 83 83 GLU H H 83 8.138 8.138 8.023 0.115 25510 5817 1 11 . 1 1 84 84 LYS N N 84 119.135 119.135 120.024 -0.889 25510 5818 1 11 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.079 0.041 25510 5819 1 11 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.727 0.981 25510 5820 1 11 . 1 1 84 84 LYS H H 84 8.690 8.690 8.119 0.571 25510 5821 1 11 . 1 1 85 85 LYS N N 85 118.012 118.012 119.226 -1.214 25510 5822 1 11 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.100 0.357 25510 5823 1 11 . 1 1 85 85 LYS H H 85 8.109 8.109 8.025 0.084 25510 5824 1 11 . 1 1 86 86 LYS N N 86 119.839 119.839 117.239 2.600 25510 5825 1 11 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.205 -0.287 25510 5826 1 11 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.872 4.426 25510 5827 1 11 . 1 1 86 86 LYS H H 86 8.577 8.577 7.623 0.954 25510 5828 1 11 . 1 1 87 87 GLU N N 87 119.674 119.674 119.169 0.505 25510 5829 1 11 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.071 -0.080 25510 5830 1 11 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.608 0.631 25510 5831 1 11 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.488 -0.376 25510 5832 1 11 . 1 1 87 87 GLU H H 87 8.402 8.402 7.478 0.924 25510 5833 1 11 . 1 1 88 88 ALA N N 88 121.869 121.869 121.798 0.071 25510 5834 1 11 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.737 0.345 25510 5835 1 11 . 1 1 88 88 ALA C C 88 179.999 179.999 179.006 0.993 25510 5836 1 11 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.856 0.082 25510 5837 1 11 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.567 0.850 25510 5838 1 11 . 1 1 88 88 ALA H H 88 8.043 8.043 8.026 0.017 25510 5839 1 11 . 1 1 89 89 GLU N N 89 115.931 115.931 117.739 -1.808 25510 5840 1 11 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.883 0.121 25510 5841 1 11 . 1 1 89 89 GLU C C 89 178.454 178.454 179.556 -1.102 25510 5842 1 11 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.377 -0.983 25510 5843 1 11 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.182 -0.038 25510 5844 1 11 . 1 1 89 89 GLU H H 89 8.058 8.058 8.013 0.045 25510 5845 1 11 . 1 1 90 90 ARG N N 90 119.607 119.607 117.558 2.049 25510 5846 1 11 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.217 -0.034 25510 5847 1 11 . 1 1 90 90 ARG C C 90 177.870 177.870 177.619 0.251 25510 5848 1 11 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.348 -0.083 25510 5849 1 11 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.830 0.419 25510 5850 1 11 . 1 1 90 90 ARG H H 90 7.791 7.791 7.696 0.095 25510 5851 1 11 . 1 1 91 91 LYS N N 91 118.638 118.638 118.158 0.480 25510 5852 1 11 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.199 -0.002 25510 5853 1 11 . 1 1 91 91 LYS C C 91 177.087 177.087 176.751 0.336 25510 5854 1 11 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.125 -0.519 25510 5855 1 11 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.314 0.306 25510 5856 1 11 . 1 1 91 91 LYS H H 91 7.709 7.709 7.246 0.463 25510 5857 1 11 . 1 1 92 92 LEU N N 92 119.640 119.640 117.373 2.267 25510 5858 1 11 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.432 -0.103 25510 5859 1 11 . 1 1 92 92 LEU C C 92 177.464 177.464 177.394 0.070 25510 5860 1 11 . 1 1 92 92 LEU CA C 92 55.618 55.618 54.980 0.638 25510 5861 1 11 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.673 -0.318 25510 5862 1 11 . 1 1 92 92 LEU H H 92 7.766 7.766 7.547 0.219 25510 5863 1 11 . 1 1 93 93 MET N N 93 119.121 119.121 119.077 0.044 25510 5864 1 11 . 1 1 93 93 MET HA H 93 4.570 4.570 4.463 0.107 25510 5865 1 11 . 1 1 93 93 MET C C 93 176.224 176.224 176.650 -0.426 25510 5866 1 11 . 1 1 93 93 MET CA C 93 55.648 55.648 57.125 -1.477 25510 5867 1 11 . 1 1 93 93 MET CB C 93 32.978 32.978 33.768 -0.790 25510 5868 1 11 . 1 1 93 93 MET H H 93 7.973 7.973 7.797 0.176 25510 5869 1 11 . 1 1 94 94 THR N N 94 114.125 114.125 113.548 0.577 25510 5870 1 11 . 1 1 94 94 THR HA H 94 4.375 4.375 4.547 -0.172 25510 5871 1 11 . 1 1 94 94 THR C C 94 173.550 173.550 174.142 -0.592 25510 5872 1 11 . 1 1 94 94 THR CA C 94 61.682 61.682 61.185 0.497 25510 5873 1 11 . 1 1 94 94 THR CB C 94 70.027 70.027 70.683 -0.656 25510 5874 1 11 . 1 1 94 94 THR H H 94 8.025 8.025 7.558 0.467 25510 5875 1 12 . 1 1 2 2 GLU N N 2 119.768 119.768 126.394 -6.626 25510 5876 1 12 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.120 -0.100 25510 5877 1 12 . 1 1 2 2 GLU C C 2 178.535 178.535 177.327 1.208 25510 5878 1 12 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.419 1.330 25510 5879 1 12 . 1 1 2 2 GLU CB C 2 29.107 29.107 28.915 0.192 25510 5880 1 12 . 1 1 2 2 GLU H H 2 8.426 8.426 8.855 -0.429 25510 5881 1 12 . 1 1 3 3 SER N N 3 113.553 113.553 115.648 -2.095 25510 5882 1 12 . 1 1 3 3 SER HA H 3 4.235 4.235 4.244 -0.009 25510 5883 1 12 . 1 1 3 3 SER C C 3 176.578 176.578 176.992 -0.414 25510 5884 1 12 . 1 1 3 3 SER CA C 3 61.448 61.448 61.468 -0.020 25510 5885 1 12 . 1 1 3 3 SER CB C 3 62.746 62.746 62.358 0.388 25510 5886 1 12 . 1 1 3 3 SER H H 3 8.151 8.151 8.459 -0.308 25510 5887 1 12 . 1 1 4 4 GLU N N 4 122.599 122.599 121.660 0.939 25510 5888 1 12 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.168 -0.091 25510 5889 1 12 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.755 0.661 25510 5890 1 12 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.306 -1.045 25510 5891 1 12 . 1 1 4 4 GLU H H 4 8.051 8.051 7.844 0.207 25510 5892 1 12 . 1 1 5 5 TYR N N 5 119.991 119.991 119.578 0.413 25510 5893 1 12 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.274 0.198 25510 5894 1 12 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.119 -0.206 25510 5895 1 12 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.663 -0.709 25510 5896 1 12 . 1 1 5 5 TYR H H 5 8.339 8.339 7.388 0.951 25510 5897 1 12 . 1 1 6 6 ARG N N 6 120.010 120.010 118.266 1.744 25510 5898 1 12 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.834 -0.075 25510 5899 1 12 . 1 1 6 6 ARG C C 6 177.365 177.365 177.987 -0.622 25510 5900 1 12 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.204 1.457 25510 5901 1 12 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.630 0.708 25510 5902 1 12 . 1 1 6 6 ARG H H 6 8.202 8.202 8.155 0.047 25510 5903 1 12 . 1 1 7 7 GLU N N 7 116.287 116.287 120.510 -4.223 25510 5904 1 12 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.944 0.106 25510 5905 1 12 . 1 1 7 7 GLU C C 7 178.544 178.544 178.520 0.024 25510 5906 1 12 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.366 0.048 25510 5907 1 12 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.563 -0.540 25510 5908 1 12 . 1 1 7 7 GLU H H 7 8.165 8.165 8.110 0.055 25510 5909 1 12 . 1 1 8 8 MET N N 8 116.181 116.181 119.094 -2.913 25510 5910 1 12 . 1 1 8 8 MET HA H 8 4.411 4.411 4.155 0.256 25510 5911 1 12 . 1 1 8 8 MET C C 8 177.616 177.616 177.629 -0.013 25510 5912 1 12 . 1 1 8 8 MET CA C 8 59.067 59.067 57.571 1.496 25510 5913 1 12 . 1 1 8 8 MET CB C 8 32.089 32.089 32.322 -0.233 25510 5914 1 12 . 1 1 8 8 MET H H 8 8.168 8.168 7.483 0.685 25510 5915 1 12 . 1 1 9 9 LEU N N 9 122.056 122.056 118.309 3.747 25510 5916 1 12 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.824 0.157 25510 5917 1 12 . 1 1 9 9 LEU C C 9 177.211 177.211 177.717 -0.506 25510 5918 1 12 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.112 1.389 25510 5919 1 12 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.615 0.683 25510 5920 1 12 . 1 1 9 9 LEU H H 9 7.883 7.883 7.221 0.662 25510 5921 1 12 . 1 1 10 10 LEU N N 10 117.952 117.952 116.404 1.548 25510 5922 1 12 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.852 0.102 25510 5923 1 12 . 1 1 10 10 LEU C C 10 176.132 176.132 179.137 -3.005 25510 5924 1 12 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.123 1.269 25510 5925 1 12 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.192 1.540 25510 5926 1 12 . 1 1 10 10 LEU H H 10 8.011 8.011 7.537 0.474 25510 5927 1 12 . 1 1 11 11 LEU N N 11 116.301 116.301 117.578 -1.277 25510 5928 1 12 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.964 0.186 25510 5929 1 12 . 1 1 11 11 LEU C C 11 179.384 179.384 178.470 0.914 25510 5930 1 12 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.939 0.001 25510 5931 1 12 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.669 0.999 25510 5932 1 12 . 1 1 11 11 LEU H H 11 8.916 8.916 7.912 1.004 25510 5933 1 12 . 1 1 12 12 THR N N 12 112.429 112.429 114.814 -2.385 25510 5934 1 12 . 1 1 12 12 THR HA H 12 4.148 4.148 3.434 0.714 25510 5935 1 12 . 1 1 12 12 THR C C 12 174.055 174.055 175.116 -1.061 25510 5936 1 12 . 1 1 12 12 THR CA C 12 65.127 65.127 64.662 0.465 25510 5937 1 12 . 1 1 12 12 THR CB C 12 68.421 68.421 68.340 0.081 25510 5938 1 12 . 1 1 12 12 THR H H 12 7.753 7.753 7.736 0.017 25510 5939 1 12 . 1 1 13 13 GLY N N 13 124.320 124.320 107.704 16.616 25510 5940 1 12 . 1 1 13 13 GLY C C 13 173.259 173.259 174.651 -1.392 25510 5941 1 12 . 1 1 13 13 GLY CA C 13 46.434 46.434 44.711 1.723 25510 5942 1 12 . 1 1 13 13 GLY H H 13 7.019 7.019 7.526 -0.507 25510 5943 1 12 . 1 1 14 14 LEU N N 14 121.922 121.922 120.335 1.587 25510 5944 1 12 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.134 -0.218 25510 5945 1 12 . 1 1 14 14 LEU C C 14 178.842 178.842 178.144 0.698 25510 5946 1 12 . 1 1 14 14 LEU CA C 14 58.050 58.050 56.984 1.066 25510 5947 1 12 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.876 -0.050 25510 5948 1 12 . 1 1 14 14 LEU H H 14 8.941 8.941 7.087 1.854 25510 5949 1 12 . 1 1 15 15 ASP N N 15 115.417 115.417 116.660 -1.243 25510 5950 1 12 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.579 -0.080 25510 5951 1 12 . 1 1 15 15 ASP C C 15 175.905 175.905 176.672 -0.767 25510 5952 1 12 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.424 -0.619 25510 5953 1 12 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.908 -3.082 25510 5954 1 12 . 1 1 15 15 ASP H H 15 9.012 9.012 7.747 1.265 25510 5955 1 12 . 1 1 16 16 HIS N N 16 114.840 114.840 115.925 -1.085 25510 5956 1 12 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.721 0.013 25510 5957 1 12 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.725 -0.153 25510 5958 1 12 . 1 1 16 16 HIS CB C 16 29.222 29.222 29.859 -0.637 25510 5959 1 12 . 1 1 16 16 HIS H H 16 7.807 7.807 8.305 -0.498 25510 5960 1 12 . 1 1 17 17 ILE N N 17 111.347 111.347 113.765 -2.418 25510 5961 1 12 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.677 0.284 25510 5962 1 12 . 1 1 17 17 ILE C C 17 176.154 176.154 175.275 0.879 25510 5963 1 12 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.840 0.672 25510 5964 1 12 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.903 -1.229 25510 5965 1 12 . 1 1 17 17 ILE H H 17 7.041 7.041 7.270 -0.229 25510 5966 1 12 . 1 1 18 18 THR N N 18 114.804 114.804 113.052 1.752 25510 5967 1 12 . 1 1 18 18 THR HA H 18 4.384 4.384 4.276 0.108 25510 5968 1 12 . 1 1 18 18 THR C C 18 174.991 174.991 175.767 -0.776 25510 5969 1 12 . 1 1 18 18 THR CA C 18 61.063 61.063 61.781 -0.718 25510 5970 1 12 . 1 1 18 18 THR CB C 18 71.227 71.227 69.974 1.253 25510 5971 1 12 . 1 1 18 18 THR H H 18 8.672 8.672 8.704 -0.032 25510 5972 1 12 . 1 1 19 19 GLU N N 19 119.385 119.385 121.638 -2.253 25510 5973 1 12 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.042 -0.010 25510 5974 1 12 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.307 -0.435 25510 5975 1 12 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.201 -0.250 25510 5976 1 12 . 1 1 19 19 GLU H H 19 8.886 8.886 8.912 -0.026 25510 5977 1 12 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.033 0.057 25510 5978 1 12 . 1 1 20 20 GLU C C 20 179.664 179.664 179.036 0.628 25510 5979 1 12 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.231 0.364 25510 5980 1 12 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.953 0.090 25510 5981 1 12 . 1 1 21 21 GLU N N 21 120.346 120.346 119.624 0.722 25510 5982 1 12 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.253 0.017 25510 5983 1 12 . 1 1 21 21 GLU C C 21 179.079 179.079 179.041 0.038 25510 5984 1 12 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.162 0.356 25510 5985 1 12 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.760 0.125 25510 5986 1 12 . 1 1 21 21 GLU H H 21 7.611 7.611 7.632 -0.021 25510 5987 1 12 . 1 1 22 22 LEU N N 22 122.508 122.508 121.904 0.604 25510 5988 1 12 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.226 -0.094 25510 5989 1 12 . 1 1 22 22 LEU C C 22 178.698 178.698 178.343 0.355 25510 5990 1 12 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.128 -0.267 25510 5991 1 12 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.854 -0.134 25510 5992 1 12 . 1 1 22 22 LEU H H 22 9.016 9.016 8.176 0.840 25510 5993 1 12 . 1 1 23 23 LYS N N 23 119.162 119.162 118.043 1.119 25510 5994 1 12 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.132 -0.146 25510 5995 1 12 . 1 1 23 23 LYS C C 23 179.624 179.624 179.094 0.530 25510 5996 1 12 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.764 0.927 25510 5997 1 12 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.172 0.222 25510 5998 1 12 . 1 1 23 23 LYS H H 23 7.777 7.777 7.756 0.021 25510 5999 1 12 . 1 1 24 24 ARG N N 24 119.502 119.502 120.135 -0.633 25510 6000 1 12 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.001 0.200 25510 6001 1 12 . 1 1 24 24 ARG C C 24 178.260 178.260 178.704 -0.444 25510 6002 1 12 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.386 -0.154 25510 6003 1 12 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.317 -0.523 25510 6004 1 12 . 1 1 24 24 ARG H H 24 7.397 7.397 7.484 -0.087 25510 6005 1 12 . 1 1 25 25 PHE N N 25 120.567 120.567 121.183 -0.616 25510 6006 1 12 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.441 -0.573 25510 6007 1 12 . 1 1 25 25 PHE C C 25 177.302 177.302 177.178 0.124 25510 6008 1 12 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.564 0.617 25510 6009 1 12 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.148 0.395 25510 6010 1 12 . 1 1 25 25 PHE H H 25 8.798 8.798 8.579 0.219 25510 6011 1 12 . 1 1 26 26 LYS N N 26 117.901 117.901 118.396 -0.495 25510 6012 1 12 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.687 -0.013 25510 6013 1 12 . 1 1 26 26 LYS C C 26 177.118 177.118 178.908 -1.790 25510 6014 1 12 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.694 1.268 25510 6015 1 12 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.076 0.963 25510 6016 1 12 . 1 1 26 26 LYS H H 26 8.841 8.841 7.811 1.030 25510 6017 1 12 . 1 1 27 27 TYR N N 27 118.480 118.480 121.495 -3.015 25510 6018 1 12 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.117 0.039 25510 6019 1 12 . 1 1 27 27 TYR C C 27 178.460 178.460 177.110 1.350 25510 6020 1 12 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.305 0.152 25510 6021 1 12 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.388 -0.641 25510 6022 1 12 . 1 1 27 27 TYR H H 27 7.645 7.645 7.275 0.370 25510 6023 1 12 . 1 1 28 28 PHE N N 28 117.525 117.525 116.871 0.654 25510 6024 1 12 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.035 0.211 25510 6025 1 12 . 1 1 28 28 PHE C C 28 178.827 178.827 177.282 1.545 25510 6026 1 12 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.020 -0.218 25510 6027 1 12 . 1 1 28 28 PHE CB C 28 40.077 40.077 38.771 1.306 25510 6028 1 12 . 1 1 28 28 PHE H H 28 7.741 7.741 7.986 -0.245 25510 6029 1 12 . 1 1 29 29 ALA N N 29 123.372 123.372 120.318 3.054 25510 6030 1 12 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.124 -0.151 25510 6031 1 12 . 1 1 29 29 ALA C C 29 178.340 178.340 178.063 0.277 25510 6032 1 12 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.842 1.480 25510 6033 1 12 . 1 1 29 29 ALA CB C 29 17.204 17.204 18.953 -1.749 25510 6034 1 12 . 1 1 29 29 ALA H H 29 8.840 8.840 7.787 1.053 25510 6035 1 12 . 1 1 30 30 LEU N N 30 117.039 117.039 119.557 -2.518 25510 6036 1 12 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.734 -0.695 25510 6037 1 12 . 1 1 30 30 LEU C C 30 178.373 178.373 176.429 1.944 25510 6038 1 12 . 1 1 30 30 LEU CA C 30 58.344 58.344 54.083 4.261 25510 6039 1 12 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.684 1.243 25510 6040 1 12 . 1 1 30 30 LEU H H 30 7.443 7.443 7.511 -0.068 25510 6041 1 12 . 1 1 31 31 THR N N 31 125.874 125.874 113.615 12.259 25510 6042 1 12 . 1 1 31 31 THR HA H 31 4.228 4.228 4.035 0.193 25510 6043 1 12 . 1 1 31 31 THR C C 31 176.282 176.282 175.295 0.987 25510 6044 1 12 . 1 1 31 31 THR CA C 31 63.328 63.328 62.999 0.329 25510 6045 1 12 . 1 1 31 31 THR CB C 31 69.170 69.170 69.882 -0.713 25510 6046 1 12 . 1 1 31 31 THR H H 31 7.014 7.014 7.680 -0.666 25510 6047 1 12 . 1 1 32 32 GLU N N 32 120.558 120.558 119.791 0.767 25510 6048 1 12 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.155 -0.003 25510 6049 1 12 . 1 1 32 32 GLU C C 32 175.968 175.968 176.141 -0.173 25510 6050 1 12 . 1 1 32 32 GLU CA C 32 57.781 57.781 56.919 0.862 25510 6051 1 12 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.831 2.230 25510 6052 1 12 . 1 1 32 32 GLU H H 32 7.808 7.808 8.296 -0.488 25510 6053 1 12 . 1 1 33 33 PHE N N 33 114.045 114.045 118.015 -3.970 25510 6054 1 12 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.594 -0.124 25510 6055 1 12 . 1 1 33 33 PHE CA C 33 57.498 57.498 57.927 -0.429 25510 6056 1 12 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.840 1.703 25510 6057 1 12 . 1 1 33 33 PHE H H 33 8.390 8.390 7.260 1.130 25510 6058 1 12 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.872 0.398 25510 6059 1 12 . 1 1 34 34 GLN C C 34 174.516 174.516 175.015 -0.499 25510 6060 1 12 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.194 -0.040 25510 6061 1 12 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.855 -0.534 25510 6062 1 12 . 1 1 34 34 GLN H H 34 7.968 7.968 8.263 -0.295 25510 6063 1 12 . 1 1 35 35 ILE N N 35 119.653 119.653 118.294 1.359 25510 6064 1 12 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.895 0.476 25510 6065 1 12 . 1 1 35 35 ILE C C 35 173.592 173.592 176.262 -2.670 25510 6066 1 12 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.834 -2.424 25510 6067 1 12 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.193 3.564 25510 6068 1 12 . 1 1 35 35 ILE H H 35 7.455 7.455 7.793 -0.338 25510 6069 1 12 . 1 1 36 36 ALA N N 36 126.668 126.668 129.303 -2.635 25510 6070 1 12 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.210 0.058 25510 6071 1 12 . 1 1 36 36 ALA C C 36 178.784 178.784 178.388 0.396 25510 6072 1 12 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.981 -0.799 25510 6073 1 12 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.472 -0.207 25510 6074 1 12 . 1 1 36 36 ALA H H 36 8.238 8.238 8.464 -0.226 25510 6075 1 12 . 1 1 37 37 ARG N N 37 123.068 123.068 123.825 -0.757 25510 6076 1 12 . 1 1 37 37 ARG HA H 37 3.816 3.816 3.977 -0.161 25510 6077 1 12 . 1 1 37 37 ARG CA C 37 59.838 59.838 59.082 0.756 25510 6078 1 12 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.809 0.123 25510 6079 1 12 . 1 1 37 37 ARG H H 37 8.820 8.820 8.761 0.059 25510 6080 1 12 . 1 1 38 38 SER N N 38 112.348 112.348 115.912 -3.564 25510 6081 1 12 . 1 1 38 38 SER HA H 38 4.178 4.178 4.231 -0.053 25510 6082 1 12 . 1 1 38 38 SER C C 38 178.315 178.315 176.303 2.012 25510 6083 1 12 . 1 1 38 38 SER CA C 38 60.772 60.772 61.342 -0.570 25510 6084 1 12 . 1 1 38 38 SER CB C 38 62.061 62.061 62.338 -0.277 25510 6085 1 12 . 1 1 38 38 SER H H 38 8.517 8.517 8.538 -0.021 25510 6086 1 12 . 1 1 39 39 THR N N 39 117.311 117.311 119.535 -2.224 25510 6087 1 12 . 1 1 39 39 THR HA H 39 4.025 4.025 4.028 -0.003 25510 6088 1 12 . 1 1 39 39 THR C C 39 175.203 175.203 175.898 -0.695 25510 6089 1 12 . 1 1 39 39 THR CA C 39 64.904 64.904 65.382 -0.478 25510 6090 1 12 . 1 1 39 39 THR CB C 39 68.726 68.726 68.485 0.241 25510 6091 1 12 . 1 1 39 39 THR H H 39 7.231 7.231 7.385 -0.154 25510 6092 1 12 . 1 1 40 40 LEU N N 40 118.713 118.713 118.723 -0.010 25510 6093 1 12 . 1 1 40 40 LEU HA H 40 4.031 4.031 4.070 -0.039 25510 6094 1 12 . 1 1 40 40 LEU C C 40 177.743 177.743 177.799 -0.056 25510 6095 1 12 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.345 -1.282 25510 6096 1 12 . 1 1 40 40 LEU CB C 40 42.294 42.294 40.717 1.577 25510 6097 1 12 . 1 1 40 40 LEU H H 40 7.552 7.552 8.009 -0.457 25510 6098 1 12 . 1 1 41 41 ASP N N 41 119.468 119.468 120.011 -0.543 25510 6099 1 12 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.449 0.048 25510 6100 1 12 . 1 1 41 41 ASP C C 41 177.111 177.111 177.345 -0.234 25510 6101 1 12 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.907 -0.313 25510 6102 1 12 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.755 -1.801 25510 6103 1 12 . 1 1 41 41 ASP H H 41 8.153 8.153 7.814 0.339 25510 6104 1 12 . 1 1 42 42 VAL N N 42 111.960 111.960 110.916 1.044 25510 6105 1 12 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.692 -0.364 25510 6106 1 12 . 1 1 42 42 VAL C C 42 175.994 175.994 175.983 0.011 25510 6107 1 12 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.440 -0.698 25510 6108 1 12 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.103 0.638 25510 6109 1 12 . 1 1 42 42 VAL H H 42 7.293 7.293 7.693 -0.400 25510 6110 1 12 . 1 1 43 43 ALA N N 43 124.575 124.575 124.387 0.188 25510 6111 1 12 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.954 0.372 25510 6112 1 12 . 1 1 43 43 ALA C C 43 177.972 177.972 178.834 -0.862 25510 6113 1 12 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.728 -2.650 25510 6114 1 12 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.214 1.237 25510 6115 1 12 . 1 1 43 43 ALA H H 43 7.626 7.626 8.174 -0.548 25510 6116 1 12 . 1 1 44 44 ASP N N 44 119.810 119.810 117.332 2.478 25510 6117 1 12 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.320 -0.260 25510 6118 1 12 . 1 1 44 44 ASP C C 44 179.346 179.346 178.119 1.227 25510 6119 1 12 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.937 1.387 25510 6120 1 12 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.000 -8.068 25510 6121 1 12 . 1 1 44 44 ASP H H 44 8.002 8.002 8.714 -0.712 25510 6122 1 12 . 1 1 45 45 ARG N N 45 123.564 123.564 119.159 4.405 25510 6123 1 12 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.317 -0.548 25510 6124 1 12 . 1 1 45 45 ARG C C 45 177.492 177.492 178.402 -0.910 25510 6125 1 12 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.285 2.525 25510 6126 1 12 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.347 2.667 25510 6127 1 12 . 1 1 45 45 ARG H H 45 8.611 8.611 7.547 1.064 25510 6128 1 12 . 1 1 46 46 THR N N 46 118.315 118.315 112.474 5.841 25510 6129 1 12 . 1 1 46 46 THR HA H 46 4.051 4.051 4.258 -0.207 25510 6130 1 12 . 1 1 46 46 THR C C 46 179.947 179.947 176.295 3.652 25510 6131 1 12 . 1 1 46 46 THR CA C 46 59.605 59.605 64.579 -4.973 25510 6132 1 12 . 1 1 46 46 THR CB C 46 32.375 32.375 69.324 -36.949 25510 6133 1 12 . 1 1 46 46 THR H H 46 8.182 8.182 7.509 0.673 25510 6134 1 12 . 1 1 47 47 GLU N N 47 118.691 118.691 121.748 -3.057 25510 6135 1 12 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.185 -0.163 25510 6136 1 12 . 1 1 47 47 GLU C C 47 179.758 179.758 179.164 0.594 25510 6137 1 12 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.528 -0.329 25510 6138 1 12 . 1 1 47 47 GLU H H 47 8.117 8.117 7.810 0.307 25510 6139 1 12 . 1 1 48 48 LEU N N 48 120.020 120.020 120.449 -0.429 25510 6140 1 12 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.866 -0.107 25510 6141 1 12 . 1 1 48 48 LEU C C 48 177.474 177.474 179.082 -1.608 25510 6142 1 12 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.112 0.462 25510 6143 1 12 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.568 0.034 25510 6144 1 12 . 1 1 48 48 LEU H H 48 8.355 8.355 8.539 -0.184 25510 6145 1 12 . 1 1 49 49 ALA N N 49 120.164 120.164 121.101 -0.937 25510 6146 1 12 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.847 -0.158 25510 6147 1 12 . 1 1 49 49 ALA C C 49 178.552 178.552 179.481 -0.929 25510 6148 1 12 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.220 0.909 25510 6149 1 12 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.989 -0.353 25510 6150 1 12 . 1 1 49 49 ALA H H 49 8.224 8.224 8.096 0.128 25510 6151 1 12 . 1 1 50 50 ASP N N 50 115.824 115.824 117.371 -1.547 25510 6152 1 12 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.368 0.050 25510 6153 1 12 . 1 1 50 50 ASP C C 50 179.108 179.108 178.488 0.620 25510 6154 1 12 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.980 -0.059 25510 6155 1 12 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.864 -1.101 25510 6156 1 12 . 1 1 50 50 ASP H H 50 8.041 8.041 7.683 0.358 25510 6157 1 12 . 1 1 51 51 HIS N N 51 117.866 117.866 119.600 -1.734 25510 6158 1 12 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.267 0.198 25510 6159 1 12 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.164 -0.674 25510 6160 1 12 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.467 -2.402 25510 6161 1 12 . 1 1 51 51 HIS H H 51 8.541 8.541 7.851 0.690 25510 6162 1 12 . 1 1 52 52 LEU N N 52 120.279 120.279 118.443 1.836 25510 6163 1 12 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.847 -0.221 25510 6164 1 12 . 1 1 52 52 LEU C C 52 178.488 178.488 178.512 -0.024 25510 6165 1 12 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.005 0.375 25510 6166 1 12 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.710 -1.279 25510 6167 1 12 . 1 1 52 52 LEU H H 52 8.529 8.529 8.104 0.425 25510 6168 1 12 . 1 1 53 53 ILE N N 53 119.478 119.478 118.807 0.671 25510 6169 1 12 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.870 -0.431 25510 6170 1 12 . 1 1 53 53 ILE C C 53 178.798 178.798 178.500 0.298 25510 6171 1 12 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.368 0.617 25510 6172 1 12 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.568 0.085 25510 6173 1 12 . 1 1 53 53 ILE H H 53 8.069 8.069 7.423 0.646 25510 6174 1 12 . 1 1 54 54 GLN N N 54 119.904 119.904 116.772 3.132 25510 6175 1 12 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.016 0.004 25510 6176 1 12 . 1 1 54 54 GLN C C 54 177.668 177.668 177.706 -0.038 25510 6177 1 12 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.064 0.596 25510 6178 1 12 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.078 0.411 25510 6179 1 12 . 1 1 54 54 GLN H H 54 8.382 8.382 7.776 0.606 25510 6180 1 12 . 1 1 55 55 SER N N 55 110.647 110.647 114.300 -3.653 25510 6181 1 12 . 1 1 55 55 SER HA H 55 4.353 4.353 4.392 -0.039 25510 6182 1 12 . 1 1 55 55 SER C C 55 175.910 175.910 175.650 0.260 25510 6183 1 12 . 1 1 55 55 SER CA C 55 61.019 61.019 60.946 0.073 25510 6184 1 12 . 1 1 55 55 SER CB C 55 63.997 63.997 63.294 0.703 25510 6185 1 12 . 1 1 55 55 SER H H 55 7.623 7.623 7.710 -0.087 25510 6186 1 12 . 1 1 56 56 ALA N N 56 118.590 118.590 119.763 -1.173 25510 6187 1 12 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.542 0.183 25510 6188 1 12 . 1 1 56 56 ALA C C 56 178.537 178.537 176.498 2.039 25510 6189 1 12 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.546 0.166 25510 6190 1 12 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.200 0.562 25510 6191 1 12 . 1 1 56 56 ALA H H 56 7.908 7.908 7.555 0.353 25510 6192 1 12 . 1 1 57 57 GLY N N 57 109.060 109.060 105.692 3.368 25510 6193 1 12 . 1 1 57 57 GLY C C 57 174.410 174.410 173.676 0.734 25510 6194 1 12 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.795 -0.564 25510 6195 1 12 . 1 1 57 57 GLY H H 57 7.996 7.996 7.490 0.506 25510 6196 1 12 . 1 1 58 58 ALA N N 58 123.460 123.460 123.028 0.432 25510 6197 1 12 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.209 -0.203 25510 6198 1 12 . 1 1 58 58 ALA C C 58 177.285 177.285 179.407 -2.122 25510 6199 1 12 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.918 2.163 25510 6200 1 12 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.113 0.093 25510 6201 1 12 . 1 1 58 58 ALA H H 58 8.710 8.710 8.422 0.288 25510 6202 1 12 . 1 1 59 59 ALA N N 59 118.918 118.918 120.715 -1.797 25510 6203 1 12 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.158 -1.211 25510 6204 1 12 . 1 1 59 59 ALA C C 59 181.017 181.017 179.800 1.217 25510 6205 1 12 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.722 0.671 25510 6206 1 12 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.063 -0.033 25510 6207 1 12 . 1 1 59 59 ALA H H 59 8.272 8.272 8.523 -0.251 25510 6208 1 12 . 1 1 60 60 SER N N 60 112.905 112.905 114.796 -1.891 25510 6209 1 12 . 1 1 60 60 SER HA H 60 4.130 4.130 4.204 -0.074 25510 6210 1 12 . 1 1 60 60 SER C C 60 176.246 176.246 176.669 -0.423 25510 6211 1 12 . 1 1 60 60 SER CA C 60 60.601 60.601 61.739 -1.138 25510 6212 1 12 . 1 1 60 60 SER CB C 60 62.796 62.796 62.928 -0.132 25510 6213 1 12 . 1 1 60 60 SER H H 60 8.218 8.218 8.399 -0.181 25510 6214 1 12 . 1 1 61 61 ALA N N 61 121.207 121.207 124.142 -2.935 25510 6215 1 12 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.075 0.081 25510 6216 1 12 . 1 1 61 61 ALA C C 61 179.639 179.639 179.400 0.239 25510 6217 1 12 . 1 1 61 61 ALA CA C 61 55.655 55.655 55.004 0.651 25510 6218 1 12 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.258 0.292 25510 6219 1 12 . 1 1 61 61 ALA H H 61 8.583 8.583 7.548 1.035 25510 6220 1 12 . 1 1 62 62 VAL N N 62 116.024 116.024 116.617 -0.593 25510 6221 1 12 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.707 -0.034 25510 6222 1 12 . 1 1 62 62 VAL C C 62 177.567 177.567 178.182 -0.615 25510 6223 1 12 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.060 1.843 25510 6224 1 12 . 1 1 62 62 VAL CB C 62 31.553 31.553 30.767 0.786 25510 6225 1 12 . 1 1 62 62 VAL H H 62 7.517 7.517 7.745 -0.228 25510 6226 1 12 . 1 1 63 63 THR N N 63 117.797 117.797 115.707 2.090 25510 6227 1 12 . 1 1 63 63 THR HA H 63 4.318 4.318 4.253 0.065 25510 6228 1 12 . 1 1 63 63 THR C C 63 176.800 176.800 176.847 -0.047 25510 6229 1 12 . 1 1 63 63 THR CA C 63 68.590 68.590 66.406 2.184 25510 6230 1 12 . 1 1 63 63 THR CB C 63 67.818 67.818 68.967 -1.149 25510 6231 1 12 . 1 1 63 63 THR H H 63 8.007 8.007 7.677 0.330 25510 6232 1 12 . 1 1 64 64 LYS N N 64 121.300 121.300 122.012 -0.712 25510 6233 1 12 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.125 -0.228 25510 6234 1 12 . 1 1 64 64 LYS C C 64 178.721 178.721 178.487 0.234 25510 6235 1 12 . 1 1 64 64 LYS CA C 64 59.942 59.942 59.252 0.690 25510 6236 1 12 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.802 2.437 25510 6237 1 12 . 1 1 64 64 LYS H H 64 8.771 8.771 8.164 0.607 25510 6238 1 12 . 1 1 65 65 ALA N N 65 121.115 121.115 122.307 -1.192 25510 6239 1 12 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.216 -0.164 25510 6240 1 12 . 1 1 65 65 ALA C C 65 178.759 178.759 179.710 -0.951 25510 6241 1 12 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.005 1.045 25510 6242 1 12 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.246 -0.002 25510 6243 1 12 . 1 1 65 65 ALA H H 65 8.598 8.598 8.380 0.218 25510 6244 1 12 . 1 1 66 66 ILE N N 66 118.735 118.735 117.705 1.030 25510 6245 1 12 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.869 -0.220 25510 6246 1 12 . 1 1 66 66 ILE C C 66 177.252 177.252 177.635 -0.383 25510 6247 1 12 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.960 3.999 25510 6248 1 12 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.898 1.151 25510 6249 1 12 . 1 1 66 66 ILE H H 66 8.657 8.657 7.639 1.018 25510 6250 1 12 . 1 1 67 67 ASN N N 67 117.463 117.463 119.479 -2.016 25510 6251 1 12 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.781 -0.374 25510 6252 1 12 . 1 1 67 67 ASN C C 67 178.095 178.095 178.271 -0.176 25510 6253 1 12 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.165 0.404 25510 6254 1 12 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.255 0.126 25510 6255 1 12 . 1 1 67 67 ASN H H 67 7.525 7.525 7.824 -0.299 25510 6256 1 12 . 1 1 68 68 ILE N N 68 120.886 120.886 119.745 1.141 25510 6257 1 12 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.780 -0.534 25510 6258 1 12 . 1 1 68 68 ILE C C 68 177.540 177.540 177.670 -0.130 25510 6259 1 12 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.948 1.268 25510 6260 1 12 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.177 -0.761 25510 6261 1 12 . 1 1 68 68 ILE H H 68 8.170 8.170 7.745 0.425 25510 6262 1 12 . 1 1 69 69 PHE N N 69 117.836 117.836 119.539 -1.703 25510 6263 1 12 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.427 -0.029 25510 6264 1 12 . 1 1 69 69 PHE C C 69 178.279 178.279 177.280 0.999 25510 6265 1 12 . 1 1 69 69 PHE CA C 69 62.837 62.837 60.445 2.392 25510 6266 1 12 . 1 1 69 69 PHE CB C 69 37.994 37.994 40.019 -2.025 25510 6267 1 12 . 1 1 69 69 PHE H H 69 8.963 8.963 8.175 0.788 25510 6268 1 12 . 1 1 70 70 GLN N N 70 118.145 118.145 119.126 -0.981 25510 6269 1 12 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.652 0.490 25510 6270 1 12 . 1 1 70 70 GLN C C 70 180.057 180.057 177.808 2.249 25510 6271 1 12 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.589 1.197 25510 6272 1 12 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.214 -0.541 25510 6273 1 12 . 1 1 70 70 GLN H H 70 8.480 8.480 8.479 0.001 25510 6274 1 12 . 1 1 71 71 LYS N N 71 123.368 123.368 118.739 4.629 25510 6275 1 12 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.063 -0.138 25510 6276 1 12 . 1 1 71 71 LYS C C 71 178.755 178.755 177.414 1.341 25510 6277 1 12 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.340 1.162 25510 6278 1 12 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.319 -0.291 25510 6279 1 12 . 1 1 71 71 LYS H H 71 8.099 8.099 7.488 0.611 25510 6280 1 12 . 1 1 72 72 LEU N N 72 117.830 117.830 118.204 -0.374 25510 6281 1 12 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.186 -0.194 25510 6282 1 12 . 1 1 72 72 LEU C C 72 175.462 175.462 177.800 -2.338 25510 6283 1 12 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.587 -1.518 25510 6284 1 12 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.769 -0.614 25510 6285 1 12 . 1 1 72 72 LEU H H 72 7.866 7.866 7.205 0.661 25510 6286 1 12 . 1 1 73 73 ASN N N 73 113.996 113.996 114.948 -0.952 25510 6287 1 12 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.462 -0.123 25510 6288 1 12 . 1 1 73 73 ASN C C 73 175.753 175.753 174.612 1.141 25510 6289 1 12 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.839 0.635 25510 6290 1 12 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.895 -3.417 25510 6291 1 12 . 1 1 73 73 ASN H H 73 8.026 8.026 7.805 0.221 25510 6292 1 12 . 1 1 74 74 TYR N N 74 122.244 122.244 119.169 3.075 25510 6293 1 12 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.712 0.565 25510 6294 1 12 . 1 1 74 74 TYR C C 74 177.548 177.548 175.032 2.516 25510 6295 1 12 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.468 -2.409 25510 6296 1 12 . 1 1 74 74 TYR CB C 74 35.376 35.376 37.711 -2.335 25510 6297 1 12 . 1 1 74 74 TYR H H 74 8.613 8.613 7.125 1.488 25510 6298 1 12 . 1 1 75 75 MET N N 75 117.619 117.619 120.662 -3.043 25510 6299 1 12 . 1 1 75 75 MET HA H 75 4.275 4.275 3.945 0.330 25510 6300 1 12 . 1 1 75 75 MET C C 75 178.716 178.716 176.209 2.507 25510 6301 1 12 . 1 1 75 75 MET CA C 75 57.231 57.231 59.431 -2.200 25510 6302 1 12 . 1 1 75 75 MET CB C 75 30.304 30.304 32.184 -1.880 25510 6303 1 12 . 1 1 75 75 MET H H 75 7.722 7.722 7.942 -0.220 25510 6304 1 12 . 1 1 76 76 HIS N N 76 117.559 117.559 116.505 1.054 25510 6305 1 12 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.509 -0.042 25510 6306 1 12 . 1 1 76 76 HIS CA C 76 58.997 58.997 57.977 1.020 25510 6307 1 12 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.017 -1.580 25510 6308 1 12 . 1 1 76 76 HIS H H 76 8.865 8.865 8.057 0.808 25510 6309 1 12 . 1 1 77 77 ILE N N 77 119.750 119.750 121.457 -1.707 25510 6310 1 12 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.718 -0.134 25510 6311 1 12 . 1 1 77 77 ILE C C 77 177.168 177.168 178.115 -0.947 25510 6312 1 12 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.823 0.381 25510 6313 1 12 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.693 0.107 25510 6314 1 12 . 1 1 77 77 ILE H H 77 7.356 7.356 7.241 0.115 25510 6315 1 12 . 1 1 78 78 ALA N N 78 120.662 120.662 121.384 -0.722 25510 6316 1 12 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.877 0.053 25510 6317 1 12 . 1 1 78 78 ALA C C 78 178.936 178.936 178.473 0.463 25510 6318 1 12 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.384 1.037 25510 6319 1 12 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.021 0.966 25510 6320 1 12 . 1 1 78 78 ALA H H 78 8.054 8.054 8.094 -0.040 25510 6321 1 12 . 1 1 79 79 ASN N N 79 114.176 114.176 117.773 -3.597 25510 6322 1 12 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.643 -0.199 25510 6323 1 12 . 1 1 79 79 ASN C C 79 177.625 177.625 177.175 0.450 25510 6324 1 12 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.410 -0.359 25510 6325 1 12 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.392 -0.168 25510 6326 1 12 . 1 1 79 79 ASN H H 79 8.531 8.531 7.929 0.602 25510 6327 1 12 . 1 1 80 80 ALA N N 80 123.670 123.670 121.752 1.918 25510 6328 1 12 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.188 -0.060 25510 6329 1 12 . 1 1 80 80 ALA C C 80 180.727 180.727 179.705 1.022 25510 6330 1 12 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.447 0.715 25510 6331 1 12 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.512 -0.250 25510 6332 1 12 . 1 1 80 80 ALA H H 80 7.822 7.822 7.570 0.252 25510 6333 1 12 . 1 1 81 81 LEU N N 81 120.065 120.065 118.699 1.366 25510 6334 1 12 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.935 0.057 25510 6335 1 12 . 1 1 81 81 LEU C C 81 177.550 177.550 179.288 -1.738 25510 6336 1 12 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.479 0.394 25510 6337 1 12 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.776 0.562 25510 6338 1 12 . 1 1 81 81 LEU H H 81 8.526 8.526 7.302 1.224 25510 6339 1 12 . 1 1 82 82 GLU N N 82 119.844 119.844 118.711 1.133 25510 6340 1 12 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.998 -0.003 25510 6341 1 12 . 1 1 82 82 GLU C C 82 178.510 178.510 178.790 -0.280 25510 6342 1 12 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.059 0.612 25510 6343 1 12 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.667 0.137 25510 6344 1 12 . 1 1 82 82 GLU H H 82 8.429 8.429 8.799 -0.370 25510 6345 1 12 . 1 1 83 83 GLU N N 83 118.585 118.585 120.803 -2.218 25510 6346 1 12 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.046 0.008 25510 6347 1 12 . 1 1 83 83 GLU C C 83 179.516 179.516 178.141 1.375 25510 6348 1 12 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.737 1.167 25510 6349 1 12 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.537 -0.578 25510 6350 1 12 . 1 1 83 83 GLU H H 83 8.138 8.138 7.814 0.324 25510 6351 1 12 . 1 1 84 84 LYS N N 84 119.135 119.135 118.784 0.351 25510 6352 1 12 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.079 0.041 25510 6353 1 12 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.306 1.403 25510 6354 1 12 . 1 1 84 84 LYS H H 84 8.690 8.690 7.728 0.962 25510 6355 1 12 . 1 1 85 85 LYS N N 85 118.012 118.012 119.171 -1.159 25510 6356 1 12 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.104 0.353 25510 6357 1 12 . 1 1 85 85 LYS H H 85 8.109 8.109 7.741 0.368 25510 6358 1 12 . 1 1 86 86 LYS N N 86 119.839 119.839 117.133 2.706 25510 6359 1 12 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.140 -0.222 25510 6360 1 12 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.386 3.912 25510 6361 1 12 . 1 1 86 86 LYS H H 86 8.577 8.577 7.655 0.922 25510 6362 1 12 . 1 1 87 87 GLU N N 87 119.674 119.674 118.793 0.881 25510 6363 1 12 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.161 -0.170 25510 6364 1 12 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.235 1.004 25510 6365 1 12 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.826 -0.714 25510 6366 1 12 . 1 1 87 87 GLU H H 87 8.402 8.402 7.753 0.649 25510 6367 1 12 . 1 1 88 88 ALA N N 88 121.869 121.869 122.209 -0.340 25510 6368 1 12 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.845 0.237 25510 6369 1 12 . 1 1 88 88 ALA C C 88 179.999 179.999 179.314 0.685 25510 6370 1 12 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.688 0.250 25510 6371 1 12 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.578 0.839 25510 6372 1 12 . 1 1 88 88 ALA H H 88 8.043 8.043 7.744 0.299 25510 6373 1 12 . 1 1 89 89 GLU N N 89 115.931 115.931 118.026 -2.095 25510 6374 1 12 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.809 0.195 25510 6375 1 12 . 1 1 89 89 GLU C C 89 178.454 178.454 178.998 -0.544 25510 6376 1 12 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.593 -1.199 25510 6377 1 12 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.288 -0.144 25510 6378 1 12 . 1 1 89 89 GLU H H 89 8.058 8.058 7.865 0.193 25510 6379 1 12 . 1 1 90 90 ARG N N 90 119.607 119.607 116.637 2.970 25510 6380 1 12 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.090 0.093 25510 6381 1 12 . 1 1 90 90 ARG C C 90 177.870 177.870 178.268 -0.398 25510 6382 1 12 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.624 -0.359 25510 6383 1 12 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.801 0.448 25510 6384 1 12 . 1 1 90 90 ARG H H 90 7.791 7.791 7.793 -0.002 25510 6385 1 12 . 1 1 91 91 LYS N N 91 118.638 118.638 118.627 0.011 25510 6386 1 12 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.161 0.036 25510 6387 1 12 . 1 1 91 91 LYS C C 91 177.087 177.087 177.518 -0.431 25510 6388 1 12 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.473 -0.867 25510 6389 1 12 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.267 0.353 25510 6390 1 12 . 1 1 91 91 LYS H H 91 7.709 7.709 7.260 0.449 25510 6391 1 12 . 1 1 92 92 LEU N N 92 119.640 119.640 117.880 1.760 25510 6392 1 12 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.191 0.138 25510 6393 1 12 . 1 1 92 92 LEU C C 92 177.464 177.464 177.980 -0.516 25510 6394 1 12 . 1 1 92 92 LEU CA C 92 55.618 55.618 56.201 -0.583 25510 6395 1 12 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.428 -0.073 25510 6396 1 12 . 1 1 92 92 LEU H H 92 7.766 7.766 7.487 0.279 25510 6397 1 12 . 1 1 93 93 MET N N 93 119.121 119.121 116.610 2.511 25510 6398 1 12 . 1 1 93 93 MET HA H 93 4.570 4.570 4.336 0.234 25510 6399 1 12 . 1 1 93 93 MET C C 93 176.224 176.224 176.397 -0.173 25510 6400 1 12 . 1 1 93 93 MET CA C 93 55.648 55.648 57.379 -1.731 25510 6401 1 12 . 1 1 93 93 MET CB C 93 32.978 32.978 33.976 -0.998 25510 6402 1 12 . 1 1 93 93 MET H H 93 7.973 7.973 7.373 0.600 25510 6403 1 12 . 1 1 94 94 THR N N 94 114.125 114.125 116.568 -2.443 25510 6404 1 12 . 1 1 94 94 THR HA H 94 4.375 4.375 4.341 0.034 25510 6405 1 12 . 1 1 94 94 THR C C 94 173.550 173.550 173.498 0.052 25510 6406 1 12 . 1 1 94 94 THR CA C 94 61.682 61.682 62.712 -1.030 25510 6407 1 12 . 1 1 94 94 THR CB C 94 70.027 70.027 69.322 0.705 25510 6408 1 12 . 1 1 94 94 THR H H 94 8.025 8.025 7.531 0.494 25510 6409 1 13 . 1 1 2 2 GLU N N 2 119.768 119.768 121.177 -1.409 25510 6410 1 13 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.124 -0.104 25510 6411 1 13 . 1 1 2 2 GLU C C 2 178.535 178.535 177.967 0.568 25510 6412 1 13 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.727 1.022 25510 6413 1 13 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.236 -0.129 25510 6414 1 13 . 1 1 2 2 GLU H H 2 8.426 8.426 8.926 -0.500 25510 6415 1 13 . 1 1 3 3 SER N N 3 113.553 113.553 115.983 -2.430 25510 6416 1 13 . 1 1 3 3 SER HA H 3 4.235 4.235 4.194 0.041 25510 6417 1 13 . 1 1 3 3 SER C C 3 176.578 176.578 176.757 -0.179 25510 6418 1 13 . 1 1 3 3 SER CA C 3 61.448 61.448 61.393 0.055 25510 6419 1 13 . 1 1 3 3 SER CB C 3 62.746 62.746 62.707 0.039 25510 6420 1 13 . 1 1 3 3 SER H H 3 8.151 8.151 8.488 -0.337 25510 6421 1 13 . 1 1 4 4 GLU N N 4 122.599 122.599 121.651 0.948 25510 6422 1 13 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.137 -0.060 25510 6423 1 13 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.794 0.622 25510 6424 1 13 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.524 -1.263 25510 6425 1 13 . 1 1 4 4 GLU H H 4 8.051 8.051 7.765 0.286 25510 6426 1 13 . 1 1 5 5 TYR N N 5 119.991 119.991 120.787 -0.796 25510 6427 1 13 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.166 0.306 25510 6428 1 13 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.253 -0.340 25510 6429 1 13 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.658 -0.706 25510 6430 1 13 . 1 1 5 5 TYR H H 5 8.339 8.339 7.692 0.647 25510 6431 1 13 . 1 1 6 6 ARG N N 6 120.010 120.010 118.127 1.883 25510 6432 1 13 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.814 -0.055 25510 6433 1 13 . 1 1 6 6 ARG C C 6 177.365 177.365 177.978 -0.613 25510 6434 1 13 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.137 1.524 25510 6435 1 13 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.648 0.689 25510 6436 1 13 . 1 1 6 6 ARG H H 6 8.202 8.202 8.063 0.139 25510 6437 1 13 . 1 1 7 7 GLU N N 7 116.287 116.287 120.900 -4.613 25510 6438 1 13 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.994 0.056 25510 6439 1 13 . 1 1 7 7 GLU C C 7 178.544 178.544 178.817 -0.273 25510 6440 1 13 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.419 -0.005 25510 6441 1 13 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.648 -0.625 25510 6442 1 13 . 1 1 7 7 GLU H H 7 8.165 8.165 7.857 0.308 25510 6443 1 13 . 1 1 8 8 MET N N 8 116.181 116.181 116.822 -0.641 25510 6444 1 13 . 1 1 8 8 MET HA H 8 4.411 4.411 4.235 0.176 25510 6445 1 13 . 1 1 8 8 MET C C 8 177.616 177.616 178.724 -1.108 25510 6446 1 13 . 1 1 8 8 MET CA C 8 59.067 59.067 57.135 1.932 25510 6447 1 13 . 1 1 8 8 MET CB C 8 32.089 32.089 31.762 0.327 25510 6448 1 13 . 1 1 8 8 MET H H 8 8.168 8.168 7.672 0.496 25510 6449 1 13 . 1 1 9 9 LEU N N 9 122.056 122.056 119.534 2.522 25510 6450 1 13 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.846 0.135 25510 6451 1 13 . 1 1 9 9 LEU C C 9 177.211 177.211 177.722 -0.511 25510 6452 1 13 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.376 1.125 25510 6453 1 13 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.576 0.722 25510 6454 1 13 . 1 1 9 9 LEU H H 9 7.883 7.883 7.281 0.602 25510 6455 1 13 . 1 1 10 10 LEU N N 10 117.952 117.952 116.496 1.456 25510 6456 1 13 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.985 -0.031 25510 6457 1 13 . 1 1 10 10 LEU C C 10 176.132 176.132 179.242 -3.110 25510 6458 1 13 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.140 1.252 25510 6459 1 13 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.423 1.309 25510 6460 1 13 . 1 1 10 10 LEU H H 10 8.011 8.011 7.466 0.545 25510 6461 1 13 . 1 1 11 11 LEU N N 11 116.301 116.301 117.237 -0.936 25510 6462 1 13 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.021 0.129 25510 6463 1 13 . 1 1 11 11 LEU C C 11 179.384 179.384 178.549 0.835 25510 6464 1 13 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.988 -0.048 25510 6465 1 13 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.672 0.995 25510 6466 1 13 . 1 1 11 11 LEU H H 11 8.916 8.916 7.983 0.933 25510 6467 1 13 . 1 1 12 12 THR N N 12 112.429 112.429 112.650 -0.221 25510 6468 1 13 . 1 1 12 12 THR HA H 12 4.148 4.148 3.998 0.150 25510 6469 1 13 . 1 1 12 12 THR C C 12 174.055 174.055 174.957 -0.902 25510 6470 1 13 . 1 1 12 12 THR CA C 12 65.127 65.127 63.671 1.456 25510 6471 1 13 . 1 1 12 12 THR CB C 12 68.421 68.421 68.168 0.253 25510 6472 1 13 . 1 1 12 12 THR H H 12 7.753 7.753 8.120 -0.367 25510 6473 1 13 . 1 1 13 13 GLY N N 13 124.320 124.320 108.292 16.028 25510 6474 1 13 . 1 1 13 13 GLY C C 13 173.259 173.259 176.200 -2.941 25510 6475 1 13 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.392 1.042 25510 6476 1 13 . 1 1 13 13 GLY H H 13 7.019 7.019 7.724 -0.705 25510 6477 1 13 . 1 1 14 14 LEU N N 14 121.922 121.922 122.914 -0.992 25510 6478 1 13 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.121 -0.205 25510 6479 1 13 . 1 1 14 14 LEU C C 14 178.842 178.842 178.715 0.127 25510 6480 1 13 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.646 0.404 25510 6481 1 13 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.065 0.761 25510 6482 1 13 . 1 1 14 14 LEU H H 14 8.941 8.941 7.608 1.333 25510 6483 1 13 . 1 1 15 15 ASP N N 15 115.417 115.417 116.589 -1.172 25510 6484 1 13 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.579 -0.080 25510 6485 1 13 . 1 1 15 15 ASP C C 15 175.905 175.905 176.638 -0.733 25510 6486 1 13 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.282 -0.477 25510 6487 1 13 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.991 -3.165 25510 6488 1 13 . 1 1 15 15 ASP H H 15 9.012 9.012 7.974 1.038 25510 6489 1 13 . 1 1 16 16 HIS N N 16 114.840 114.840 117.156 -2.316 25510 6490 1 13 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.702 0.032 25510 6491 1 13 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.554 0.017 25510 6492 1 13 . 1 1 16 16 HIS CB C 16 29.222 29.222 29.864 -0.642 25510 6493 1 13 . 1 1 16 16 HIS H H 16 7.807 7.807 7.918 -0.111 25510 6494 1 13 . 1 1 17 17 ILE N N 17 111.347 111.347 113.693 -2.346 25510 6495 1 13 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.725 0.236 25510 6496 1 13 . 1 1 17 17 ILE C C 17 176.154 176.154 174.731 1.423 25510 6497 1 13 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.694 0.818 25510 6498 1 13 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.889 -1.214 25510 6499 1 13 . 1 1 17 17 ILE H H 17 7.041 7.041 7.280 -0.239 25510 6500 1 13 . 1 1 18 18 THR N N 18 114.804 114.804 109.731 5.073 25510 6501 1 13 . 1 1 18 18 THR HA H 18 4.384 4.384 4.573 -0.189 25510 6502 1 13 . 1 1 18 18 THR C C 18 174.991 174.991 175.652 -0.661 25510 6503 1 13 . 1 1 18 18 THR CA C 18 61.063 61.063 60.003 1.060 25510 6504 1 13 . 1 1 18 18 THR CB C 18 71.227 71.227 71.027 0.200 25510 6505 1 13 . 1 1 18 18 THR H H 18 8.672 8.672 8.228 0.444 25510 6506 1 13 . 1 1 19 19 GLU N N 19 119.385 119.385 120.542 -1.157 25510 6507 1 13 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.079 -0.047 25510 6508 1 13 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.247 -0.375 25510 6509 1 13 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.304 -0.353 25510 6510 1 13 . 1 1 19 19 GLU H H 19 8.886 8.886 8.822 0.064 25510 6511 1 13 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.052 0.038 25510 6512 1 13 . 1 1 20 20 GLU C C 20 179.664 179.664 179.200 0.464 25510 6513 1 13 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.133 0.462 25510 6514 1 13 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.982 0.061 25510 6515 1 13 . 1 1 21 21 GLU N N 21 120.346 120.346 118.986 1.360 25510 6516 1 13 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.244 0.026 25510 6517 1 13 . 1 1 21 21 GLU C C 21 179.079 179.079 178.897 0.182 25510 6518 1 13 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.610 0.908 25510 6519 1 13 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.354 0.531 25510 6520 1 13 . 1 1 21 21 GLU H H 21 7.611 7.611 7.629 -0.018 25510 6521 1 13 . 1 1 22 22 LEU N N 22 122.508 122.508 122.089 0.419 25510 6522 1 13 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.151 -0.019 25510 6523 1 13 . 1 1 22 22 LEU C C 22 178.698 178.698 178.516 0.182 25510 6524 1 13 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.343 -0.482 25510 6525 1 13 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.076 -0.356 25510 6526 1 13 . 1 1 22 22 LEU H H 22 9.016 9.016 8.057 0.959 25510 6527 1 13 . 1 1 23 23 LYS N N 23 119.162 119.162 117.037 2.125 25510 6528 1 13 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.003 -0.017 25510 6529 1 13 . 1 1 23 23 LYS C C 23 179.624 179.624 178.909 0.715 25510 6530 1 13 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.724 0.967 25510 6531 1 13 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.118 0.276 25510 6532 1 13 . 1 1 23 23 LYS H H 23 7.777 7.777 8.151 -0.374 25510 6533 1 13 . 1 1 24 24 ARG N N 24 119.502 119.502 120.438 -0.936 25510 6534 1 13 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.131 0.070 25510 6535 1 13 . 1 1 24 24 ARG C C 24 178.260 178.260 178.583 -0.323 25510 6536 1 13 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.395 -0.163 25510 6537 1 13 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.175 -0.382 25510 6538 1 13 . 1 1 24 24 ARG H H 24 7.397 7.397 7.503 -0.106 25510 6539 1 13 . 1 1 25 25 PHE N N 25 120.567 120.567 120.705 -0.138 25510 6540 1 13 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.375 -0.507 25510 6541 1 13 . 1 1 25 25 PHE C C 25 177.302 177.302 177.205 0.097 25510 6542 1 13 . 1 1 25 25 PHE CA C 25 62.181 62.181 60.847 1.334 25510 6543 1 13 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.216 0.327 25510 6544 1 13 . 1 1 25 25 PHE H H 25 8.798 8.798 8.157 0.641 25510 6545 1 13 . 1 1 26 26 LYS N N 26 117.901 117.901 118.953 -1.052 25510 6546 1 13 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.649 0.025 25510 6547 1 13 . 1 1 26 26 LYS C C 26 177.118 177.118 179.065 -1.947 25510 6548 1 13 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.712 1.250 25510 6549 1 13 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.244 0.795 25510 6550 1 13 . 1 1 26 26 LYS H H 26 8.841 8.841 7.901 0.940 25510 6551 1 13 . 1 1 27 27 TYR N N 27 118.480 118.480 121.028 -2.548 25510 6552 1 13 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.216 -0.060 25510 6553 1 13 . 1 1 27 27 TYR C C 27 178.460 178.460 176.985 1.475 25510 6554 1 13 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.380 0.077 25510 6555 1 13 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.825 -1.078 25510 6556 1 13 . 1 1 27 27 TYR H H 27 7.645 7.645 8.101 -0.456 25510 6557 1 13 . 1 1 28 28 PHE N N 28 117.525 117.525 118.805 -1.280 25510 6558 1 13 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.100 0.146 25510 6559 1 13 . 1 1 28 28 PHE C C 28 178.827 178.827 176.539 2.288 25510 6560 1 13 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.719 0.083 25510 6561 1 13 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.637 0.440 25510 6562 1 13 . 1 1 28 28 PHE H H 28 7.741 7.741 7.757 -0.016 25510 6563 1 13 . 1 1 29 29 ALA N N 29 123.372 123.372 120.361 3.011 25510 6564 1 13 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.184 -0.211 25510 6565 1 13 . 1 1 29 29 ALA C C 29 178.340 178.340 178.275 0.065 25510 6566 1 13 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.955 1.367 25510 6567 1 13 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.084 -1.880 25510 6568 1 13 . 1 1 29 29 ALA H H 29 8.840 8.840 7.982 0.858 25510 6569 1 13 . 1 1 30 30 LEU N N 30 117.039 117.039 119.859 -2.820 25510 6570 1 13 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.844 -0.805 25510 6571 1 13 . 1 1 30 30 LEU C C 30 178.373 178.373 176.592 1.781 25510 6572 1 13 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.442 4.902 25510 6573 1 13 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.441 2.486 25510 6574 1 13 . 1 1 30 30 LEU H H 30 7.443 7.443 7.727 -0.284 25510 6575 1 13 . 1 1 31 31 THR N N 31 125.874 125.874 114.251 11.623 25510 6576 1 13 . 1 1 31 31 THR HA H 31 4.228 4.228 4.092 0.136 25510 6577 1 13 . 1 1 31 31 THR C C 31 176.282 176.282 175.604 0.678 25510 6578 1 13 . 1 1 31 31 THR CA C 31 63.328 63.328 63.062 0.266 25510 6579 1 13 . 1 1 31 31 THR CB C 31 69.170 69.170 69.603 -0.434 25510 6580 1 13 . 1 1 31 31 THR H H 31 7.014 7.014 7.812 -0.798 25510 6581 1 13 . 1 1 32 32 GLU N N 32 120.558 120.558 120.180 0.378 25510 6582 1 13 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.130 0.022 25510 6583 1 13 . 1 1 32 32 GLU C C 32 175.968 175.968 176.698 -0.730 25510 6584 1 13 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.472 0.309 25510 6585 1 13 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.203 1.858 25510 6586 1 13 . 1 1 32 32 GLU H H 32 7.808 7.808 8.429 -0.621 25510 6587 1 13 . 1 1 33 33 PHE N N 33 114.045 114.045 117.596 -3.551 25510 6588 1 13 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.399 0.071 25510 6589 1 13 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.698 -1.200 25510 6590 1 13 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.161 1.382 25510 6591 1 13 . 1 1 33 33 PHE H H 33 8.390 8.390 7.568 0.822 25510 6592 1 13 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.914 0.356 25510 6593 1 13 . 1 1 34 34 GLN C C 34 174.516 174.516 174.551 -0.035 25510 6594 1 13 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.952 0.202 25510 6595 1 13 . 1 1 34 34 GLN CB C 34 26.321 26.321 27.107 -0.786 25510 6596 1 13 . 1 1 34 34 GLN H H 34 7.968 7.968 7.965 0.003 25510 6597 1 13 . 1 1 35 35 ILE N N 35 119.653 119.653 120.942 -1.289 25510 6598 1 13 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.975 0.396 25510 6599 1 13 . 1 1 35 35 ILE C C 35 173.592 173.592 175.546 -1.954 25510 6600 1 13 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.011 -1.601 25510 6601 1 13 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.866 2.891 25510 6602 1 13 . 1 1 35 35 ILE H H 35 7.455 7.455 8.101 -0.646 25510 6603 1 13 . 1 1 36 36 ALA N N 36 126.668 126.668 130.514 -3.846 25510 6604 1 13 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.355 -0.087 25510 6605 1 13 . 1 1 36 36 ALA C C 36 178.784 178.784 177.980 0.804 25510 6606 1 13 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.154 0.028 25510 6607 1 13 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.679 -0.414 25510 6608 1 13 . 1 1 36 36 ALA H H 36 8.238 8.238 8.369 -0.131 25510 6609 1 13 . 1 1 37 37 ARG N N 37 123.068 123.068 123.819 -0.751 25510 6610 1 13 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.084 -0.268 25510 6611 1 13 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.438 1.400 25510 6612 1 13 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.353 0.579 25510 6613 1 13 . 1 1 37 37 ARG H H 37 8.820 8.820 8.848 -0.028 25510 6614 1 13 . 1 1 38 38 SER N N 38 112.348 112.348 116.384 -4.036 25510 6615 1 13 . 1 1 38 38 SER HA H 38 4.178 4.178 4.330 -0.152 25510 6616 1 13 . 1 1 38 38 SER C C 38 178.315 178.315 176.169 2.146 25510 6617 1 13 . 1 1 38 38 SER CA C 38 60.772 60.772 61.506 -0.734 25510 6618 1 13 . 1 1 38 38 SER CB C 38 62.061 62.061 62.015 0.046 25510 6619 1 13 . 1 1 38 38 SER H H 38 8.517 8.517 8.466 0.051 25510 6620 1 13 . 1 1 39 39 THR N N 39 117.311 117.311 114.374 2.937 25510 6621 1 13 . 1 1 39 39 THR HA H 39 4.025 4.025 4.323 -0.298 25510 6622 1 13 . 1 1 39 39 THR C C 39 175.203 175.203 176.002 -0.799 25510 6623 1 13 . 1 1 39 39 THR CA C 39 64.904 64.904 64.425 0.479 25510 6624 1 13 . 1 1 39 39 THR CB C 39 68.726 68.726 68.329 0.397 25510 6625 1 13 . 1 1 39 39 THR H H 39 7.231 7.231 7.583 -0.352 25510 6626 1 13 . 1 1 40 40 LEU N N 40 118.713 118.713 121.673 -2.960 25510 6627 1 13 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.938 0.094 25510 6628 1 13 . 1 1 40 40 LEU C C 40 177.743 177.743 178.223 -0.480 25510 6629 1 13 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.580 -1.517 25510 6630 1 13 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.514 0.780 25510 6631 1 13 . 1 1 40 40 LEU H H 40 7.552 7.552 7.602 -0.050 25510 6632 1 13 . 1 1 41 41 ASP N N 41 119.468 119.468 118.929 0.539 25510 6633 1 13 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.419 0.078 25510 6634 1 13 . 1 1 41 41 ASP C C 41 177.111 177.111 177.477 -0.366 25510 6635 1 13 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.999 -0.405 25510 6636 1 13 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.576 -1.622 25510 6637 1 13 . 1 1 41 41 ASP H H 41 8.153 8.153 7.809 0.344 25510 6638 1 13 . 1 1 42 42 VAL N N 42 111.960 111.960 110.358 1.602 25510 6639 1 13 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.571 -0.243 25510 6640 1 13 . 1 1 42 42 VAL C C 42 175.994 175.994 175.820 0.174 25510 6641 1 13 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.528 0.214 25510 6642 1 13 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.737 1.004 25510 6643 1 13 . 1 1 42 42 VAL H H 42 7.293 7.293 7.977 -0.684 25510 6644 1 13 . 1 1 43 43 ALA N N 43 124.575 124.575 125.055 -0.480 25510 6645 1 13 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.941 0.385 25510 6646 1 13 . 1 1 43 43 ALA C C 43 177.972 177.972 179.237 -1.265 25510 6647 1 13 . 1 1 43 43 ALA CA C 43 53.078 53.078 56.018 -2.940 25510 6648 1 13 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.151 1.300 25510 6649 1 13 . 1 1 43 43 ALA H H 43 7.626 7.626 8.335 -0.709 25510 6650 1 13 . 1 1 44 44 ASP N N 44 119.810 119.810 117.304 2.506 25510 6651 1 13 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.290 -0.230 25510 6652 1 13 . 1 1 44 44 ASP C C 44 179.346 179.346 177.662 1.684 25510 6653 1 13 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.666 1.657 25510 6654 1 13 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.158 -8.226 25510 6655 1 13 . 1 1 44 44 ASP H H 44 8.002 8.002 8.825 -0.823 25510 6656 1 13 . 1 1 45 45 ARG N N 45 123.564 123.564 118.602 4.962 25510 6657 1 13 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.291 -0.522 25510 6658 1 13 . 1 1 45 45 ARG C C 45 177.492 177.492 178.289 -0.797 25510 6659 1 13 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.054 2.755 25510 6660 1 13 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.220 2.794 25510 6661 1 13 . 1 1 45 45 ARG H H 45 8.611 8.611 7.529 1.082 25510 6662 1 13 . 1 1 46 46 THR N N 46 118.315 118.315 114.689 3.626 25510 6663 1 13 . 1 1 46 46 THR HA H 46 4.051 4.051 4.312 -0.261 25510 6664 1 13 . 1 1 46 46 THR C C 46 179.947 179.947 176.216 3.731 25510 6665 1 13 . 1 1 46 46 THR CA C 46 59.605 59.605 65.628 -6.023 25510 6666 1 13 . 1 1 46 46 THR CB C 46 32.375 32.375 69.359 -36.984 25510 6667 1 13 . 1 1 46 46 THR H H 46 8.182 8.182 7.722 0.460 25510 6668 1 13 . 1 1 47 47 GLU N N 47 118.691 118.691 121.703 -3.012 25510 6669 1 13 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.144 -0.122 25510 6670 1 13 . 1 1 47 47 GLU C C 47 179.758 179.758 178.846 0.912 25510 6671 1 13 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.621 -0.422 25510 6672 1 13 . 1 1 47 47 GLU H H 47 8.117 8.117 7.678 0.439 25510 6673 1 13 . 1 1 48 48 LEU N N 48 120.020 120.020 121.301 -1.281 25510 6674 1 13 . 1 1 48 48 LEU HA H 48 3.759 3.759 4.053 -0.294 25510 6675 1 13 . 1 1 48 48 LEU C C 48 177.474 177.474 178.680 -1.206 25510 6676 1 13 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.558 1.016 25510 6677 1 13 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.919 -0.317 25510 6678 1 13 . 1 1 48 48 LEU H H 48 8.355 8.355 8.127 0.228 25510 6679 1 13 . 1 1 49 49 ALA N N 49 120.164 120.164 121.356 -1.192 25510 6680 1 13 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.914 -0.225 25510 6681 1 13 . 1 1 49 49 ALA C C 49 178.552 178.552 179.042 -0.490 25510 6682 1 13 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.281 0.848 25510 6683 1 13 . 1 1 49 49 ALA CB C 49 17.636 17.636 18.011 -0.375 25510 6684 1 13 . 1 1 49 49 ALA H H 49 8.224 8.224 7.703 0.521 25510 6685 1 13 . 1 1 50 50 ASP N N 50 115.824 115.824 118.141 -2.317 25510 6686 1 13 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.321 0.097 25510 6687 1 13 . 1 1 50 50 ASP C C 50 179.108 179.108 178.120 0.988 25510 6688 1 13 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.107 0.814 25510 6689 1 13 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.133 -1.370 25510 6690 1 13 . 1 1 50 50 ASP H H 50 8.041 8.041 7.658 0.383 25510 6691 1 13 . 1 1 51 51 HIS N N 51 117.866 117.866 119.952 -2.086 25510 6692 1 13 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.201 0.264 25510 6693 1 13 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.697 -1.208 25510 6694 1 13 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.301 -2.236 25510 6695 1 13 . 1 1 51 51 HIS H H 51 8.541 8.541 8.085 0.456 25510 6696 1 13 . 1 1 52 52 LEU N N 52 120.279 120.279 117.108 3.171 25510 6697 1 13 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.969 -0.343 25510 6698 1 13 . 1 1 52 52 LEU C C 52 178.488 178.488 178.442 0.046 25510 6699 1 13 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.741 0.639 25510 6700 1 13 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.867 -1.436 25510 6701 1 13 . 1 1 52 52 LEU H H 52 8.529 8.529 7.747 0.782 25510 6702 1 13 . 1 1 53 53 ILE N N 53 119.478 119.478 118.405 1.073 25510 6703 1 13 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.798 -0.359 25510 6704 1 13 . 1 1 53 53 ILE C C 53 178.798 178.798 178.334 0.464 25510 6705 1 13 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.659 0.326 25510 6706 1 13 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.368 0.285 25510 6707 1 13 . 1 1 53 53 ILE H H 53 8.069 8.069 7.459 0.610 25510 6708 1 13 . 1 1 54 54 GLN N N 54 119.904 119.904 117.739 2.165 25510 6709 1 13 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.015 0.005 25510 6710 1 13 . 1 1 54 54 GLN C C 54 177.668 177.668 177.274 0.394 25510 6711 1 13 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.016 0.644 25510 6712 1 13 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.437 0.052 25510 6713 1 13 . 1 1 54 54 GLN H H 54 8.382 8.382 7.642 0.740 25510 6714 1 13 . 1 1 55 55 SER N N 55 110.647 110.647 114.862 -4.215 25510 6715 1 13 . 1 1 55 55 SER HA H 55 4.353 4.353 3.754 0.599 25510 6716 1 13 . 1 1 55 55 SER C C 55 175.910 175.910 174.882 1.028 25510 6717 1 13 . 1 1 55 55 SER CA C 55 61.019 61.019 60.120 0.899 25510 6718 1 13 . 1 1 55 55 SER CB C 55 63.997 63.997 63.050 0.947 25510 6719 1 13 . 1 1 55 55 SER H H 55 7.623 7.623 7.099 0.524 25510 6720 1 13 . 1 1 56 56 ALA N N 56 118.590 118.590 119.758 -1.168 25510 6721 1 13 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.494 0.231 25510 6722 1 13 . 1 1 56 56 ALA C C 56 178.537 178.537 176.546 1.991 25510 6723 1 13 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.076 0.636 25510 6724 1 13 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.073 0.689 25510 6725 1 13 . 1 1 56 56 ALA H H 56 7.908 7.908 7.488 0.420 25510 6726 1 13 . 1 1 57 57 GLY N N 57 109.060 109.060 107.403 1.657 25510 6727 1 13 . 1 1 57 57 GLY C C 57 174.410 174.410 174.110 0.300 25510 6728 1 13 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.690 -0.459 25510 6729 1 13 . 1 1 57 57 GLY H H 57 7.996 7.996 7.414 0.582 25510 6730 1 13 . 1 1 58 58 ALA N N 58 123.460 123.460 123.621 -0.161 25510 6731 1 13 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.074 -0.068 25510 6732 1 13 . 1 1 58 58 ALA C C 58 177.285 177.285 178.938 -1.653 25510 6733 1 13 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.461 2.620 25510 6734 1 13 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.914 0.292 25510 6735 1 13 . 1 1 58 58 ALA H H 58 8.710 8.710 8.613 0.097 25510 6736 1 13 . 1 1 59 59 ALA N N 59 118.918 118.918 119.915 -0.997 25510 6737 1 13 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.142 -1.195 25510 6738 1 13 . 1 1 59 59 ALA C C 59 181.017 181.017 179.863 1.154 25510 6739 1 13 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.823 0.570 25510 6740 1 13 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.034 -0.004 25510 6741 1 13 . 1 1 59 59 ALA H H 59 8.272 8.272 8.728 -0.456 25510 6742 1 13 . 1 1 60 60 SER N N 60 112.905 112.905 115.208 -2.303 25510 6743 1 13 . 1 1 60 60 SER HA H 60 4.130 4.130 4.137 -0.007 25510 6744 1 13 . 1 1 60 60 SER C C 60 176.246 176.246 176.441 -0.195 25510 6745 1 13 . 1 1 60 60 SER CA C 60 60.601 60.601 61.962 -1.361 25510 6746 1 13 . 1 1 60 60 SER CB C 60 62.796 62.796 62.881 -0.085 25510 6747 1 13 . 1 1 60 60 SER H H 60 8.218 8.218 8.288 -0.070 25510 6748 1 13 . 1 1 61 61 ALA N N 61 121.207 121.207 123.993 -2.786 25510 6749 1 13 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.164 -0.008 25510 6750 1 13 . 1 1 61 61 ALA C C 61 179.639 179.639 179.778 -0.139 25510 6751 1 13 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.986 0.669 25510 6752 1 13 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.256 0.294 25510 6753 1 13 . 1 1 61 61 ALA H H 61 8.583 8.583 7.507 1.076 25510 6754 1 13 . 1 1 62 62 VAL N N 62 116.024 116.024 117.087 -1.063 25510 6755 1 13 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.700 -0.027 25510 6756 1 13 . 1 1 62 62 VAL C C 62 177.567 177.567 178.206 -0.639 25510 6757 1 13 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.012 1.891 25510 6758 1 13 . 1 1 62 62 VAL CB C 62 31.553 31.553 30.904 0.649 25510 6759 1 13 . 1 1 62 62 VAL H H 62 7.517 7.517 7.969 -0.452 25510 6760 1 13 . 1 1 63 63 THR N N 63 117.797 117.797 115.371 2.426 25510 6761 1 13 . 1 1 63 63 THR HA H 63 4.318 4.318 4.239 0.079 25510 6762 1 13 . 1 1 63 63 THR C C 63 176.800 176.800 176.707 0.093 25510 6763 1 13 . 1 1 63 63 THR CA C 63 68.590 68.590 66.813 1.777 25510 6764 1 13 . 1 1 63 63 THR CB C 63 67.818 67.818 69.038 -1.220 25510 6765 1 13 . 1 1 63 63 THR H H 63 8.007 8.007 7.938 0.069 25510 6766 1 13 . 1 1 64 64 LYS N N 64 121.300 121.300 122.212 -0.912 25510 6767 1 13 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.124 -0.227 25510 6768 1 13 . 1 1 64 64 LYS C C 64 178.721 178.721 178.492 0.229 25510 6769 1 13 . 1 1 64 64 LYS CA C 64 59.942 59.942 59.281 0.661 25510 6770 1 13 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.868 2.370 25510 6771 1 13 . 1 1 64 64 LYS H H 64 8.771 8.771 7.968 0.803 25510 6772 1 13 . 1 1 65 65 ALA N N 65 121.115 121.115 122.415 -1.300 25510 6773 1 13 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.345 -0.293 25510 6774 1 13 . 1 1 65 65 ALA C C 65 178.759 178.759 179.832 -1.073 25510 6775 1 13 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.120 0.930 25510 6776 1 13 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.314 -0.070 25510 6777 1 13 . 1 1 65 65 ALA H H 65 8.598 8.598 8.521 0.077 25510 6778 1 13 . 1 1 66 66 ILE N N 66 118.735 118.735 118.179 0.556 25510 6779 1 13 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.859 -0.210 25510 6780 1 13 . 1 1 66 66 ILE C C 66 177.252 177.252 177.878 -0.626 25510 6781 1 13 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.721 4.238 25510 6782 1 13 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.043 1.006 25510 6783 1 13 . 1 1 66 66 ILE H H 66 8.657 8.657 7.725 0.932 25510 6784 1 13 . 1 1 67 67 ASN N N 67 117.463 117.463 118.674 -1.211 25510 6785 1 13 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.529 -0.122 25510 6786 1 13 . 1 1 67 67 ASN C C 67 178.095 178.095 177.885 0.210 25510 6787 1 13 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.383 0.186 25510 6788 1 13 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.251 0.130 25510 6789 1 13 . 1 1 67 67 ASN H H 67 7.525 7.525 7.699 -0.174 25510 6790 1 13 . 1 1 68 68 ILE N N 68 120.886 120.886 120.142 0.744 25510 6791 1 13 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.817 -0.571 25510 6792 1 13 . 1 1 68 68 ILE C C 68 177.540 177.540 177.812 -0.272 25510 6793 1 13 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.114 1.102 25510 6794 1 13 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.342 -0.926 25510 6795 1 13 . 1 1 68 68 ILE H H 68 8.170 8.170 8.010 0.160 25510 6796 1 13 . 1 1 69 69 PHE N N 69 117.836 117.836 119.800 -1.964 25510 6797 1 13 . 1 1 69 69 PHE HA H 69 4.398 4.398 3.868 0.530 25510 6798 1 13 . 1 1 69 69 PHE C C 69 178.279 178.279 177.027 1.252 25510 6799 1 13 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.533 1.304 25510 6800 1 13 . 1 1 69 69 PHE CB C 69 37.994 37.994 38.965 -0.971 25510 6801 1 13 . 1 1 69 69 PHE H H 69 8.963 8.963 8.279 0.684 25510 6802 1 13 . 1 1 70 70 GLN N N 70 118.145 118.145 118.569 -0.424 25510 6803 1 13 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.830 0.312 25510 6804 1 13 . 1 1 70 70 GLN C C 70 180.057 180.057 177.781 2.276 25510 6805 1 13 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.486 1.300 25510 6806 1 13 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.246 -0.573 25510 6807 1 13 . 1 1 70 70 GLN H H 70 8.480 8.480 8.317 0.163 25510 6808 1 13 . 1 1 71 71 LYS N N 71 123.368 123.368 118.714 4.654 25510 6809 1 13 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.069 -0.144 25510 6810 1 13 . 1 1 71 71 LYS C C 71 178.755 178.755 177.748 1.007 25510 6811 1 13 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.470 1.032 25510 6812 1 13 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.294 -0.266 25510 6813 1 13 . 1 1 71 71 LYS H H 71 8.099 8.099 7.444 0.655 25510 6814 1 13 . 1 1 72 72 LEU N N 72 117.830 117.830 117.941 -0.111 25510 6815 1 13 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.210 -0.218 25510 6816 1 13 . 1 1 72 72 LEU C C 72 175.462 175.462 177.589 -2.127 25510 6817 1 13 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.242 -1.173 25510 6818 1 13 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.711 -0.556 25510 6819 1 13 . 1 1 72 72 LEU H H 72 7.866 7.866 7.372 0.494 25510 6820 1 13 . 1 1 73 73 ASN N N 73 113.996 113.996 115.492 -1.496 25510 6821 1 13 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.578 -0.239 25510 6822 1 13 . 1 1 73 73 ASN C C 73 175.753 175.753 175.052 0.701 25510 6823 1 13 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.730 0.744 25510 6824 1 13 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.768 -3.289 25510 6825 1 13 . 1 1 73 73 ASN H H 73 8.026 8.026 7.784 0.242 25510 6826 1 13 . 1 1 74 74 TYR N N 74 122.244 122.244 119.296 2.948 25510 6827 1 13 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.890 0.387 25510 6828 1 13 . 1 1 74 74 TYR C C 74 177.548 177.548 175.465 2.083 25510 6829 1 13 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.794 -2.735 25510 6830 1 13 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.095 -2.719 25510 6831 1 13 . 1 1 74 74 TYR H H 74 8.613 8.613 7.270 1.343 25510 6832 1 13 . 1 1 75 75 MET N N 75 117.619 117.619 120.689 -3.070 25510 6833 1 13 . 1 1 75 75 MET HA H 75 4.275 4.275 4.033 0.242 25510 6834 1 13 . 1 1 75 75 MET C C 75 178.716 178.716 176.066 2.650 25510 6835 1 13 . 1 1 75 75 MET CA C 75 57.231 57.231 59.512 -2.281 25510 6836 1 13 . 1 1 75 75 MET CB C 75 30.304 30.304 32.155 -1.851 25510 6837 1 13 . 1 1 75 75 MET H H 75 7.722 7.722 8.017 -0.295 25510 6838 1 13 . 1 1 76 76 HIS N N 76 117.559 117.559 118.961 -1.402 25510 6839 1 13 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.434 0.033 25510 6840 1 13 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.104 -0.107 25510 6841 1 13 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.853 -2.416 25510 6842 1 13 . 1 1 76 76 HIS H H 76 8.865 8.865 8.473 0.392 25510 6843 1 13 . 1 1 77 77 ILE N N 77 119.750 119.750 120.308 -0.558 25510 6844 1 13 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.725 -0.141 25510 6845 1 13 . 1 1 77 77 ILE C C 77 177.168 177.168 177.966 -0.798 25510 6846 1 13 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.084 0.120 25510 6847 1 13 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.794 0.006 25510 6848 1 13 . 1 1 77 77 ILE H H 77 7.356 7.356 7.925 -0.569 25510 6849 1 13 . 1 1 78 78 ALA N N 78 120.662 120.662 121.735 -1.073 25510 6850 1 13 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.863 0.067 25510 6851 1 13 . 1 1 78 78 ALA C C 78 178.936 178.936 178.648 0.288 25510 6852 1 13 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.547 0.874 25510 6853 1 13 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.121 0.866 25510 6854 1 13 . 1 1 78 78 ALA H H 78 8.054 8.054 8.392 -0.338 25510 6855 1 13 . 1 1 79 79 ASN N N 79 114.176 114.176 116.977 -2.801 25510 6856 1 13 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.702 -0.258 25510 6857 1 13 . 1 1 79 79 ASN C C 79 177.625 177.625 177.353 0.272 25510 6858 1 13 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.690 0.361 25510 6859 1 13 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.097 0.127 25510 6860 1 13 . 1 1 79 79 ASN H H 79 8.531 8.531 7.737 0.794 25510 6861 1 13 . 1 1 80 80 ALA N N 80 123.670 123.670 121.823 1.847 25510 6862 1 13 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.129 -0.001 25510 6863 1 13 . 1 1 80 80 ALA C C 80 180.727 180.727 179.587 1.140 25510 6864 1 13 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.437 0.725 25510 6865 1 13 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.777 -0.515 25510 6866 1 13 . 1 1 80 80 ALA H H 80 7.822 7.822 7.548 0.274 25510 6867 1 13 . 1 1 81 81 LEU N N 81 120.065 120.065 118.825 1.240 25510 6868 1 13 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.078 -0.086 25510 6869 1 13 . 1 1 81 81 LEU C C 81 177.550 177.550 179.539 -1.989 25510 6870 1 13 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.031 0.842 25510 6871 1 13 . 1 1 81 81 LEU CB C 81 42.339 42.339 40.874 1.464 25510 6872 1 13 . 1 1 81 81 LEU H H 81 8.526 8.526 7.547 0.979 25510 6873 1 13 . 1 1 82 82 GLU N N 82 119.844 119.844 118.580 1.264 25510 6874 1 13 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.971 0.024 25510 6875 1 13 . 1 1 82 82 GLU C C 82 178.510 178.510 178.623 -0.113 25510 6876 1 13 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.126 0.545 25510 6877 1 13 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.614 0.190 25510 6878 1 13 . 1 1 82 82 GLU H H 82 8.429 8.429 8.716 -0.287 25510 6879 1 13 . 1 1 83 83 GLU N N 83 118.585 118.585 121.069 -2.484 25510 6880 1 13 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.064 -0.010 25510 6881 1 13 . 1 1 83 83 GLU C C 83 179.516 179.516 178.496 1.020 25510 6882 1 13 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.682 1.222 25510 6883 1 13 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.342 -0.383 25510 6884 1 13 . 1 1 83 83 GLU H H 83 8.138 8.138 7.790 0.348 25510 6885 1 13 . 1 1 84 84 LYS N N 84 119.135 119.135 119.426 -0.291 25510 6886 1 13 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.063 0.057 25510 6887 1 13 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.928 0.780 25510 6888 1 13 . 1 1 84 84 LYS H H 84 8.690 8.690 7.860 0.830 25510 6889 1 13 . 1 1 85 85 LYS N N 85 118.012 118.012 119.407 -1.395 25510 6890 1 13 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.035 0.422 25510 6891 1 13 . 1 1 85 85 LYS H H 85 8.109 8.109 7.876 0.233 25510 6892 1 13 . 1 1 86 86 LYS N N 86 119.839 119.839 118.590 1.249 25510 6893 1 13 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.142 -0.224 25510 6894 1 13 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.277 4.021 25510 6895 1 13 . 1 1 86 86 LYS H H 86 8.577 8.577 7.647 0.930 25510 6896 1 13 . 1 1 87 87 GLU N N 87 119.674 119.674 118.200 1.474 25510 6897 1 13 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.144 -0.153 25510 6898 1 13 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.351 0.888 25510 6899 1 13 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.786 -0.674 25510 6900 1 13 . 1 1 87 87 GLU H H 87 8.402 8.402 7.723 0.680 25510 6901 1 13 . 1 1 88 88 ALA N N 88 121.869 121.869 122.144 -0.275 25510 6902 1 13 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.693 0.389 25510 6903 1 13 . 1 1 88 88 ALA C C 88 179.999 179.999 179.652 0.347 25510 6904 1 13 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.752 0.186 25510 6905 1 13 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.371 1.046 25510 6906 1 13 . 1 1 88 88 ALA H H 88 8.043 8.043 7.352 0.691 25510 6907 1 13 . 1 1 89 89 GLU N N 89 115.931 115.931 118.202 -2.271 25510 6908 1 13 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.962 0.042 25510 6909 1 13 . 1 1 89 89 GLU C C 89 178.454 178.454 179.030 -0.576 25510 6910 1 13 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.237 -0.843 25510 6911 1 13 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.165 -0.021 25510 6912 1 13 . 1 1 89 89 GLU H H 89 8.058 8.058 7.842 0.216 25510 6913 1 13 . 1 1 90 90 ARG N N 90 119.607 119.607 116.088 3.519 25510 6914 1 13 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.199 -0.016 25510 6915 1 13 . 1 1 90 90 ARG C C 90 177.870 177.870 177.978 -0.108 25510 6916 1 13 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.130 0.134 25510 6917 1 13 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.810 0.439 25510 6918 1 13 . 1 1 90 90 ARG H H 90 7.791 7.791 7.689 0.102 25510 6919 1 13 . 1 1 91 91 LYS N N 91 118.638 118.638 120.731 -2.093 25510 6920 1 13 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.101 0.096 25510 6921 1 13 . 1 1 91 91 LYS C C 91 177.087 177.087 178.618 -1.531 25510 6922 1 13 . 1 1 91 91 LYS CA C 91 57.606 57.606 59.096 -1.490 25510 6923 1 13 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.324 0.296 25510 6924 1 13 . 1 1 91 91 LYS H H 91 7.709 7.709 7.348 0.361 25510 6925 1 13 . 1 1 92 92 LEU N N 92 119.640 119.640 117.906 1.734 25510 6926 1 13 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.220 0.109 25510 6927 1 13 . 1 1 92 92 LEU C C 92 177.464 177.464 177.908 -0.444 25510 6928 1 13 . 1 1 92 92 LEU CA C 92 55.618 55.618 56.487 -0.869 25510 6929 1 13 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.005 0.350 25510 6930 1 13 . 1 1 92 92 LEU H H 92 7.766 7.766 7.650 0.116 25510 6931 1 13 . 1 1 93 93 MET N N 93 119.121 119.121 117.934 1.187 25510 6932 1 13 . 1 1 93 93 MET HA H 93 4.570 4.570 4.488 0.082 25510 6933 1 13 . 1 1 93 93 MET C C 93 176.224 176.224 177.016 -0.792 25510 6934 1 13 . 1 1 93 93 MET CA C 93 55.648 55.648 56.227 -0.579 25510 6935 1 13 . 1 1 93 93 MET CB C 93 32.978 32.978 33.969 -0.991 25510 6936 1 13 . 1 1 93 93 MET H H 93 7.973 7.973 7.416 0.557 25510 6937 1 13 . 1 1 94 94 THR N N 94 114.125 114.125 117.003 -2.878 25510 6938 1 13 . 1 1 94 94 THR HA H 94 4.375 4.375 4.106 0.269 25510 6939 1 13 . 1 1 94 94 THR C C 94 173.550 173.550 173.719 -0.169 25510 6940 1 13 . 1 1 94 94 THR CA C 94 61.682 61.682 64.038 -2.356 25510 6941 1 13 . 1 1 94 94 THR CB C 94 70.027 70.027 69.359 0.668 25510 6942 1 13 . 1 1 94 94 THR H H 94 8.025 8.025 7.736 0.289 25510 6943 1 14 . 1 1 2 2 GLU N N 2 119.768 119.768 124.110 -4.342 25510 6944 1 14 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.122 -0.102 25510 6945 1 14 . 1 1 2 2 GLU C C 2 178.535 178.535 177.234 1.301 25510 6946 1 14 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.099 1.650 25510 6947 1 14 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.517 -0.410 25510 6948 1 14 . 1 1 2 2 GLU H H 2 8.426 8.426 9.032 -0.606 25510 6949 1 14 . 1 1 3 3 SER N N 3 113.553 113.553 115.781 -2.228 25510 6950 1 14 . 1 1 3 3 SER HA H 3 4.235 4.235 4.222 0.013 25510 6951 1 14 . 1 1 3 3 SER C C 3 176.578 176.578 176.511 0.067 25510 6952 1 14 . 1 1 3 3 SER CA C 3 61.448 61.448 61.332 0.116 25510 6953 1 14 . 1 1 3 3 SER CB C 3 62.746 62.746 62.282 0.464 25510 6954 1 14 . 1 1 3 3 SER H H 3 8.151 8.151 8.487 -0.336 25510 6955 1 14 . 1 1 4 4 GLU N N 4 122.599 122.599 121.766 0.833 25510 6956 1 14 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.127 -0.050 25510 6957 1 14 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.966 0.450 25510 6958 1 14 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.562 -1.301 25510 6959 1 14 . 1 1 4 4 GLU H H 4 8.051 8.051 7.787 0.264 25510 6960 1 14 . 1 1 5 5 TYR N N 5 119.991 119.991 120.285 -0.294 25510 6961 1 14 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.219 0.253 25510 6962 1 14 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.093 -0.180 25510 6963 1 14 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.480 -0.527 25510 6964 1 14 . 1 1 5 5 TYR H H 5 8.339 8.339 7.418 0.921 25510 6965 1 14 . 1 1 6 6 ARG N N 6 120.010 120.010 117.778 2.232 25510 6966 1 14 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.820 -0.061 25510 6967 1 14 . 1 1 6 6 ARG C C 6 177.365 177.365 178.218 -0.853 25510 6968 1 14 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.239 1.422 25510 6969 1 14 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.660 0.678 25510 6970 1 14 . 1 1 6 6 ARG H H 6 8.202 8.202 8.132 0.070 25510 6971 1 14 . 1 1 7 7 GLU N N 7 116.287 116.287 121.087 -4.800 25510 6972 1 14 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.054 -0.004 25510 6973 1 14 . 1 1 7 7 GLU C C 7 178.544 178.544 178.185 0.359 25510 6974 1 14 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.007 0.407 25510 6975 1 14 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.744 -0.721 25510 6976 1 14 . 1 1 7 7 GLU H H 7 8.165 8.165 7.838 0.327 25510 6977 1 14 . 1 1 8 8 MET N N 8 116.181 116.181 119.760 -3.579 25510 6978 1 14 . 1 1 8 8 MET HA H 8 4.411 4.411 4.063 0.348 25510 6979 1 14 . 1 1 8 8 MET C C 8 177.616 177.616 177.829 -0.213 25510 6980 1 14 . 1 1 8 8 MET CA C 8 59.067 59.067 59.187 -0.120 25510 6981 1 14 . 1 1 8 8 MET CB C 8 32.089 32.089 32.682 -0.593 25510 6982 1 14 . 1 1 8 8 MET H H 8 8.168 8.168 7.850 0.318 25510 6983 1 14 . 1 1 9 9 LEU N N 9 122.056 122.056 118.750 3.306 25510 6984 1 14 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.915 0.066 25510 6985 1 14 . 1 1 9 9 LEU C C 9 177.211 177.211 177.876 -0.665 25510 6986 1 14 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.219 1.282 25510 6987 1 14 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.678 0.620 25510 6988 1 14 . 1 1 9 9 LEU H H 9 7.883 7.883 7.412 0.471 25510 6989 1 14 . 1 1 10 10 LEU N N 10 117.952 117.952 117.359 0.593 25510 6990 1 14 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.913 0.041 25510 6991 1 14 . 1 1 10 10 LEU C C 10 176.132 176.132 179.090 -2.958 25510 6992 1 14 . 1 1 10 10 LEU CA C 10 58.392 58.392 56.761 1.631 25510 6993 1 14 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.530 2.202 25510 6994 1 14 . 1 1 10 10 LEU H H 10 8.011 8.011 7.247 0.764 25510 6995 1 14 . 1 1 11 11 LEU N N 11 116.301 116.301 117.823 -1.522 25510 6996 1 14 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.057 0.093 25510 6997 1 14 . 1 1 11 11 LEU C C 11 179.384 179.384 179.166 0.218 25510 6998 1 14 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.721 0.219 25510 6999 1 14 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.410 1.257 25510 7000 1 14 . 1 1 11 11 LEU H H 11 8.916 8.916 8.054 0.862 25510 7001 1 14 . 1 1 12 12 THR N N 12 112.429 112.429 116.221 -3.792 25510 7002 1 14 . 1 1 12 12 THR HA H 12 4.148 4.148 3.883 0.265 25510 7003 1 14 . 1 1 12 12 THR C C 12 174.055 174.055 175.990 -1.935 25510 7004 1 14 . 1 1 12 12 THR CA C 12 65.127 65.127 66.298 -1.171 25510 7005 1 14 . 1 1 12 12 THR CB C 12 68.421 68.421 68.344 0.077 25510 7006 1 14 . 1 1 12 12 THR H H 12 7.753 7.753 7.769 -0.016 25510 7007 1 14 . 1 1 13 13 GLY N N 13 124.320 124.320 108.306 16.014 25510 7008 1 14 . 1 1 13 13 GLY C C 13 173.259 173.259 175.429 -2.170 25510 7009 1 14 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.898 0.536 25510 7010 1 14 . 1 1 13 13 GLY H H 13 7.019 7.019 7.770 -0.751 25510 7011 1 14 . 1 1 14 14 LEU N N 14 121.922 121.922 120.807 1.115 25510 7012 1 14 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.095 -0.179 25510 7013 1 14 . 1 1 14 14 LEU C C 14 178.842 178.842 178.639 0.203 25510 7014 1 14 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.161 0.889 25510 7015 1 14 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.026 0.800 25510 7016 1 14 . 1 1 14 14 LEU H H 14 8.941 8.941 7.385 1.556 25510 7017 1 14 . 1 1 15 15 ASP N N 15 115.417 115.417 115.542 -0.125 25510 7018 1 14 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.623 -0.124 25510 7019 1 14 . 1 1 15 15 ASP C C 15 175.905 175.905 176.434 -0.529 25510 7020 1 14 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.935 -1.131 25510 7021 1 14 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.691 -2.865 25510 7022 1 14 . 1 1 15 15 ASP H H 15 9.012 9.012 7.918 1.094 25510 7023 1 14 . 1 1 16 16 HIS N N 16 114.840 114.840 116.501 -1.661 25510 7024 1 14 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.671 0.063 25510 7025 1 14 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.364 -0.792 25510 7026 1 14 . 1 1 16 16 HIS CB C 16 29.222 29.222 31.619 -2.397 25510 7027 1 14 . 1 1 16 16 HIS H H 16 7.807 7.807 7.715 0.092 25510 7028 1 14 . 1 1 17 17 ILE N N 17 111.347 111.347 116.469 -5.122 25510 7029 1 14 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.642 0.319 25510 7030 1 14 . 1 1 17 17 ILE C C 17 176.154 176.154 175.125 1.029 25510 7031 1 14 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.633 -0.121 25510 7032 1 14 . 1 1 17 17 ILE CB C 17 39.674 39.674 39.950 -0.276 25510 7033 1 14 . 1 1 17 17 ILE H H 17 7.041 7.041 7.771 -0.730 25510 7034 1 14 . 1 1 18 18 THR N N 18 114.804 114.804 110.010 4.794 25510 7035 1 14 . 1 1 18 18 THR HA H 18 4.384 4.384 4.496 -0.112 25510 7036 1 14 . 1 1 18 18 THR C C 18 174.991 174.991 175.804 -0.813 25510 7037 1 14 . 1 1 18 18 THR CA C 18 61.063 61.063 60.280 0.783 25510 7038 1 14 . 1 1 18 18 THR CB C 18 71.227 71.227 70.564 0.663 25510 7039 1 14 . 1 1 18 18 THR H H 18 8.672 8.672 8.293 0.379 25510 7040 1 14 . 1 1 19 19 GLU N N 19 119.385 119.385 119.962 -0.577 25510 7041 1 14 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.016 0.016 25510 7042 1 14 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.215 -0.343 25510 7043 1 14 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.907 0.044 25510 7044 1 14 . 1 1 19 19 GLU H H 19 8.886 8.886 8.823 0.063 25510 7045 1 14 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.037 0.053 25510 7046 1 14 . 1 1 20 20 GLU C C 20 179.664 179.664 179.001 0.663 25510 7047 1 14 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.230 0.365 25510 7048 1 14 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.971 0.072 25510 7049 1 14 . 1 1 21 21 GLU N N 21 120.346 120.346 119.178 1.168 25510 7050 1 14 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.231 0.039 25510 7051 1 14 . 1 1 21 21 GLU C C 21 179.079 179.079 179.189 -0.110 25510 7052 1 14 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.155 0.363 25510 7053 1 14 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.263 0.622 25510 7054 1 14 . 1 1 21 21 GLU H H 21 7.611 7.611 7.717 -0.106 25510 7055 1 14 . 1 1 22 22 LEU N N 22 122.508 122.508 121.492 1.016 25510 7056 1 14 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.256 -0.124 25510 7057 1 14 . 1 1 22 22 LEU C C 22 178.698 178.698 178.307 0.391 25510 7058 1 14 . 1 1 22 22 LEU CA C 22 57.861 57.861 57.752 0.109 25510 7059 1 14 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.108 -0.388 25510 7060 1 14 . 1 1 22 22 LEU H H 22 9.016 9.016 7.850 1.166 25510 7061 1 14 . 1 1 23 23 LYS N N 23 119.162 119.162 119.297 -0.135 25510 7062 1 14 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.132 -0.146 25510 7063 1 14 . 1 1 23 23 LYS C C 23 179.624 179.624 179.140 0.484 25510 7064 1 14 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.372 1.319 25510 7065 1 14 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.358 0.036 25510 7066 1 14 . 1 1 23 23 LYS H H 23 7.777 7.777 8.019 -0.242 25510 7067 1 14 . 1 1 24 24 ARG N N 24 119.502 119.502 119.055 0.447 25510 7068 1 14 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.128 0.073 25510 7069 1 14 . 1 1 24 24 ARG C C 24 178.260 178.260 178.740 -0.480 25510 7070 1 14 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.222 0.010 25510 7071 1 14 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.316 -0.522 25510 7072 1 14 . 1 1 24 24 ARG H H 24 7.397 7.397 7.833 -0.436 25510 7073 1 14 . 1 1 25 25 PHE N N 25 120.567 120.567 121.079 -0.512 25510 7074 1 14 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.347 -0.479 25510 7075 1 14 . 1 1 25 25 PHE C C 25 177.302 177.302 176.898 0.404 25510 7076 1 14 . 1 1 25 25 PHE CA C 25 62.181 62.181 62.125 0.056 25510 7077 1 14 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.241 0.302 25510 7078 1 14 . 1 1 25 25 PHE H H 25 8.798 8.798 8.469 0.329 25510 7079 1 14 . 1 1 26 26 LYS N N 26 117.901 117.901 118.236 -0.335 25510 7080 1 14 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.878 -0.204 25510 7081 1 14 . 1 1 26 26 LYS C C 26 177.118 177.118 179.190 -2.072 25510 7082 1 14 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.297 1.665 25510 7083 1 14 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.355 0.684 25510 7084 1 14 . 1 1 26 26 LYS H H 26 8.841 8.841 7.889 0.952 25510 7085 1 14 . 1 1 27 27 TYR N N 27 118.480 118.480 121.664 -3.184 25510 7086 1 14 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.155 0.001 25510 7087 1 14 . 1 1 27 27 TYR C C 27 178.460 178.460 177.128 1.332 25510 7088 1 14 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.429 0.028 25510 7089 1 14 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.566 -0.819 25510 7090 1 14 . 1 1 27 27 TYR H H 27 7.645 7.645 7.536 0.109 25510 7091 1 14 . 1 1 28 28 PHE N N 28 117.525 117.525 117.114 0.411 25510 7092 1 14 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.108 0.138 25510 7093 1 14 . 1 1 28 28 PHE C C 28 178.827 178.827 176.984 1.843 25510 7094 1 14 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.066 -0.264 25510 7095 1 14 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.017 1.060 25510 7096 1 14 . 1 1 28 28 PHE H H 28 7.741 7.741 8.144 -0.403 25510 7097 1 14 . 1 1 29 29 ALA N N 29 123.372 123.372 120.298 3.074 25510 7098 1 14 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.178 -0.205 25510 7099 1 14 . 1 1 29 29 ALA C C 29 178.340 178.340 178.140 0.200 25510 7100 1 14 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.905 1.417 25510 7101 1 14 . 1 1 29 29 ALA CB C 29 17.204 17.204 18.936 -1.732 25510 7102 1 14 . 1 1 29 29 ALA H H 29 8.840 8.840 7.801 1.039 25510 7103 1 14 . 1 1 30 30 LEU N N 30 117.039 117.039 119.798 -2.759 25510 7104 1 14 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.855 -0.816 25510 7105 1 14 . 1 1 30 30 LEU C C 30 178.373 178.373 176.657 1.716 25510 7106 1 14 . 1 1 30 30 LEU CA C 30 58.344 58.344 54.172 4.173 25510 7107 1 14 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.495 1.432 25510 7108 1 14 . 1 1 30 30 LEU H H 30 7.443 7.443 7.527 -0.084 25510 7109 1 14 . 1 1 31 31 THR N N 31 125.874 125.874 114.518 11.356 25510 7110 1 14 . 1 1 31 31 THR HA H 31 4.228 4.228 4.149 0.079 25510 7111 1 14 . 1 1 31 31 THR C C 31 176.282 176.282 175.572 0.710 25510 7112 1 14 . 1 1 31 31 THR CA C 31 63.328 63.328 63.335 -0.007 25510 7113 1 14 . 1 1 31 31 THR CB C 31 69.170 69.170 69.599 -0.429 25510 7114 1 14 . 1 1 31 31 THR H H 31 7.014 7.014 7.821 -0.807 25510 7115 1 14 . 1 1 32 32 GLU N N 32 120.558 120.558 119.765 0.793 25510 7116 1 14 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.240 -0.088 25510 7117 1 14 . 1 1 32 32 GLU C C 32 175.968 175.968 176.647 -0.679 25510 7118 1 14 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.201 0.580 25510 7119 1 14 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.191 1.870 25510 7120 1 14 . 1 1 32 32 GLU H H 32 7.808 7.808 8.438 -0.630 25510 7121 1 14 . 1 1 33 33 PHE N N 33 114.045 114.045 117.771 -3.726 25510 7122 1 14 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.500 -0.030 25510 7123 1 14 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.993 -1.495 25510 7124 1 14 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.055 1.488 25510 7125 1 14 . 1 1 33 33 PHE H H 33 8.390 8.390 7.758 0.632 25510 7126 1 14 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.979 0.291 25510 7127 1 14 . 1 1 34 34 GLN C C 34 174.516 174.516 175.431 -0.915 25510 7128 1 14 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.014 0.140 25510 7129 1 14 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.505 -0.184 25510 7130 1 14 . 1 1 34 34 GLN H H 34 7.968 7.968 8.222 -0.254 25510 7131 1 14 . 1 1 35 35 ILE N N 35 119.653 119.653 118.918 0.735 25510 7132 1 14 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.930 0.441 25510 7133 1 14 . 1 1 35 35 ILE C C 35 173.592 173.592 175.799 -2.207 25510 7134 1 14 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.425 -2.015 25510 7135 1 14 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.902 2.855 25510 7136 1 14 . 1 1 35 35 ILE H H 35 7.455 7.455 8.020 -0.565 25510 7137 1 14 . 1 1 36 36 ALA N N 36 126.668 126.668 129.458 -2.790 25510 7138 1 14 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.300 -0.032 25510 7139 1 14 . 1 1 36 36 ALA C C 36 178.784 178.784 178.087 0.697 25510 7140 1 14 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.510 -0.328 25510 7141 1 14 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.629 -0.364 25510 7142 1 14 . 1 1 36 36 ALA H H 36 8.238 8.238 8.284 -0.046 25510 7143 1 14 . 1 1 37 37 ARG N N 37 123.068 123.068 124.032 -0.964 25510 7144 1 14 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.013 -0.197 25510 7145 1 14 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.250 1.588 25510 7146 1 14 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.734 0.198 25510 7147 1 14 . 1 1 37 37 ARG H H 37 8.820 8.820 8.847 -0.027 25510 7148 1 14 . 1 1 38 38 SER N N 38 112.348 112.348 115.219 -2.871 25510 7149 1 14 . 1 1 38 38 SER HA H 38 4.178 4.178 4.316 -0.138 25510 7150 1 14 . 1 1 38 38 SER C C 38 178.315 178.315 175.986 2.329 25510 7151 1 14 . 1 1 38 38 SER CA C 38 60.772 60.772 61.317 -0.545 25510 7152 1 14 . 1 1 38 38 SER CB C 38 62.061 62.061 61.972 0.089 25510 7153 1 14 . 1 1 38 38 SER H H 38 8.517 8.517 8.464 0.053 25510 7154 1 14 . 1 1 39 39 THR N N 39 117.311 117.311 113.779 3.532 25510 7155 1 14 . 1 1 39 39 THR HA H 39 4.025 4.025 4.118 -0.093 25510 7156 1 14 . 1 1 39 39 THR C C 39 175.203 175.203 175.793 -0.590 25510 7157 1 14 . 1 1 39 39 THR CA C 39 64.904 64.904 64.136 0.768 25510 7158 1 14 . 1 1 39 39 THR CB C 39 68.726 68.726 68.402 0.324 25510 7159 1 14 . 1 1 39 39 THR H H 39 7.231 7.231 7.552 -0.321 25510 7160 1 14 . 1 1 40 40 LEU N N 40 118.713 118.713 121.065 -2.352 25510 7161 1 14 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.979 0.052 25510 7162 1 14 . 1 1 40 40 LEU C C 40 177.743 177.743 177.988 -0.245 25510 7163 1 14 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.182 -1.119 25510 7164 1 14 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.408 0.886 25510 7165 1 14 . 1 1 40 40 LEU H H 40 7.552 7.552 7.469 0.083 25510 7166 1 14 . 1 1 41 41 ASP N N 41 119.468 119.468 119.299 0.169 25510 7167 1 14 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.418 0.079 25510 7168 1 14 . 1 1 41 41 ASP C C 41 177.111 177.111 177.537 -0.426 25510 7169 1 14 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.667 -0.073 25510 7170 1 14 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.531 -1.577 25510 7171 1 14 . 1 1 41 41 ASP H H 41 8.153 8.153 7.648 0.505 25510 7172 1 14 . 1 1 42 42 VAL N N 42 111.960 111.960 111.537 0.423 25510 7173 1 14 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.580 -0.252 25510 7174 1 14 . 1 1 42 42 VAL C C 42 175.994 175.994 176.034 -0.040 25510 7175 1 14 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.399 0.343 25510 7176 1 14 . 1 1 42 42 VAL CB C 42 32.741 32.741 32.064 0.677 25510 7177 1 14 . 1 1 42 42 VAL H H 42 7.293 7.293 7.566 -0.273 25510 7178 1 14 . 1 1 43 43 ALA N N 43 124.575 124.575 125.282 -0.707 25510 7179 1 14 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.924 0.402 25510 7180 1 14 . 1 1 43 43 ALA C C 43 177.972 177.972 178.954 -0.982 25510 7181 1 14 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.985 -2.907 25510 7182 1 14 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.439 1.012 25510 7183 1 14 . 1 1 43 43 ALA H H 43 7.626 7.626 7.993 -0.367 25510 7184 1 14 . 1 1 44 44 ASP N N 44 119.810 119.810 117.478 2.332 25510 7185 1 14 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.269 -0.209 25510 7186 1 14 . 1 1 44 44 ASP C C 44 179.346 179.346 177.884 1.462 25510 7187 1 14 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.715 1.609 25510 7188 1 14 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.058 -8.126 25510 7189 1 14 . 1 1 44 44 ASP H H 44 8.002 8.002 8.836 -0.834 25510 7190 1 14 . 1 1 45 45 ARG N N 45 123.564 123.564 118.571 4.993 25510 7191 1 14 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.302 -0.533 25510 7192 1 14 . 1 1 45 45 ARG C C 45 177.492 177.492 178.545 -1.053 25510 7193 1 14 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.099 2.710 25510 7194 1 14 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.489 2.525 25510 7195 1 14 . 1 1 45 45 ARG H H 45 8.611 8.611 7.585 1.026 25510 7196 1 14 . 1 1 46 46 THR N N 46 118.315 118.315 111.731 6.584 25510 7197 1 14 . 1 1 46 46 THR HA H 46 4.051 4.051 4.318 -0.267 25510 7198 1 14 . 1 1 46 46 THR C C 46 179.947 179.947 176.538 3.409 25510 7199 1 14 . 1 1 46 46 THR CA C 46 59.605 59.605 65.045 -5.440 25510 7200 1 14 . 1 1 46 46 THR CB C 46 32.375 32.375 69.133 -36.758 25510 7201 1 14 . 1 1 46 46 THR H H 46 8.182 8.182 7.811 0.371 25510 7202 1 14 . 1 1 47 47 GLU N N 47 118.691 118.691 121.886 -3.195 25510 7203 1 14 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.228 -0.206 25510 7204 1 14 . 1 1 47 47 GLU C C 47 179.758 179.758 178.937 0.821 25510 7205 1 14 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.163 0.036 25510 7206 1 14 . 1 1 47 47 GLU H H 47 8.117 8.117 7.723 0.394 25510 7207 1 14 . 1 1 48 48 LEU N N 48 120.020 120.020 121.770 -1.750 25510 7208 1 14 . 1 1 48 48 LEU HA H 48 3.759 3.759 4.000 -0.241 25510 7209 1 14 . 1 1 48 48 LEU C C 48 177.474 177.474 178.766 -1.292 25510 7210 1 14 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.031 0.543 25510 7211 1 14 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.776 -0.174 25510 7212 1 14 . 1 1 48 48 LEU H H 48 8.355 8.355 8.268 0.087 25510 7213 1 14 . 1 1 49 49 ALA N N 49 120.164 120.164 120.727 -0.563 25510 7214 1 14 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.852 -0.163 25510 7215 1 14 . 1 1 49 49 ALA C C 49 178.552 178.552 179.314 -0.762 25510 7216 1 14 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.379 0.750 25510 7217 1 14 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.841 -0.205 25510 7218 1 14 . 1 1 49 49 ALA H H 49 8.224 8.224 7.619 0.605 25510 7219 1 14 . 1 1 50 50 ASP N N 50 115.824 115.824 118.408 -2.584 25510 7220 1 14 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.357 0.061 25510 7221 1 14 . 1 1 50 50 ASP C C 50 179.108 179.108 178.160 0.948 25510 7222 1 14 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.155 0.766 25510 7223 1 14 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.988 -1.225 25510 7224 1 14 . 1 1 50 50 ASP H H 50 8.041 8.041 7.608 0.433 25510 7225 1 14 . 1 1 51 51 HIS N N 51 117.866 117.866 120.323 -2.457 25510 7226 1 14 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.423 0.042 25510 7227 1 14 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.444 -0.954 25510 7228 1 14 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.429 -2.364 25510 7229 1 14 . 1 1 51 51 HIS H H 51 8.541 8.541 8.235 0.306 25510 7230 1 14 . 1 1 52 52 LEU N N 52 120.279 120.279 117.956 2.323 25510 7231 1 14 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.898 -0.272 25510 7232 1 14 . 1 1 52 52 LEU C C 52 178.488 178.488 179.184 -0.696 25510 7233 1 14 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.726 0.654 25510 7234 1 14 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.006 -1.575 25510 7235 1 14 . 1 1 52 52 LEU H H 52 8.529 8.529 8.318 0.211 25510 7236 1 14 . 1 1 53 53 ILE N N 53 119.478 119.478 119.298 0.180 25510 7237 1 14 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.857 -0.418 25510 7238 1 14 . 1 1 53 53 ILE C C 53 178.798 178.798 178.270 0.528 25510 7239 1 14 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.501 2.485 25510 7240 1 14 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.374 1.279 25510 7241 1 14 . 1 1 53 53 ILE H H 53 8.069 8.069 7.558 0.511 25510 7242 1 14 . 1 1 54 54 GLN N N 54 119.904 119.904 117.145 2.759 25510 7243 1 14 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.951 0.069 25510 7244 1 14 . 1 1 54 54 GLN C C 54 177.668 177.668 177.729 -0.061 25510 7245 1 14 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.925 0.735 25510 7246 1 14 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.088 0.401 25510 7247 1 14 . 1 1 54 54 GLN H H 54 8.382 8.382 7.644 0.738 25510 7248 1 14 . 1 1 55 55 SER N N 55 110.647 110.647 114.850 -4.203 25510 7249 1 14 . 1 1 55 55 SER HA H 55 4.353 4.353 4.296 0.057 25510 7250 1 14 . 1 1 55 55 SER C C 55 175.910 175.910 174.996 0.914 25510 7251 1 14 . 1 1 55 55 SER CA C 55 61.019 61.019 60.894 0.126 25510 7252 1 14 . 1 1 55 55 SER CB C 55 63.997 63.997 63.101 0.896 25510 7253 1 14 . 1 1 55 55 SER H H 55 7.623 7.623 7.671 -0.048 25510 7254 1 14 . 1 1 56 56 ALA N N 56 118.590 118.590 120.226 -1.636 25510 7255 1 14 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.474 0.251 25510 7256 1 14 . 1 1 56 56 ALA C C 56 178.537 178.537 176.601 1.936 25510 7257 1 14 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.183 0.529 25510 7258 1 14 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.735 1.027 25510 7259 1 14 . 1 1 56 56 ALA H H 56 7.908 7.908 7.739 0.169 25510 7260 1 14 . 1 1 57 57 GLY N N 57 109.060 109.060 105.726 3.334 25510 7261 1 14 . 1 1 57 57 GLY C C 57 174.410 174.410 173.293 1.117 25510 7262 1 14 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.861 -0.630 25510 7263 1 14 . 1 1 57 57 GLY H H 57 7.996 7.996 7.530 0.466 25510 7264 1 14 . 1 1 58 58 ALA N N 58 123.460 123.460 122.723 0.737 25510 7265 1 14 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.078 -0.072 25510 7266 1 14 . 1 1 58 58 ALA C C 58 177.285 177.285 179.287 -2.002 25510 7267 1 14 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.117 1.964 25510 7268 1 14 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.037 0.169 25510 7269 1 14 . 1 1 58 58 ALA H H 58 8.710 8.710 8.465 0.245 25510 7270 1 14 . 1 1 59 59 ALA N N 59 118.918 118.918 119.528 -0.610 25510 7271 1 14 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.141 -1.194 25510 7272 1 14 . 1 1 59 59 ALA C C 59 181.017 181.017 179.827 1.190 25510 7273 1 14 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.684 0.709 25510 7274 1 14 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.166 -0.136 25510 7275 1 14 . 1 1 59 59 ALA H H 59 8.272 8.272 8.610 -0.338 25510 7276 1 14 . 1 1 60 60 SER N N 60 112.905 112.905 115.637 -2.732 25510 7277 1 14 . 1 1 60 60 SER HA H 60 4.130 4.130 4.203 -0.073 25510 7278 1 14 . 1 1 60 60 SER C C 60 176.246 176.246 176.462 -0.216 25510 7279 1 14 . 1 1 60 60 SER CA C 60 60.601 60.601 61.992 -1.391 25510 7280 1 14 . 1 1 60 60 SER CB C 60 62.796 62.796 62.779 0.017 25510 7281 1 14 . 1 1 60 60 SER H H 60 8.218 8.218 8.246 -0.028 25510 7282 1 14 . 1 1 61 61 ALA N N 61 121.207 121.207 124.328 -3.121 25510 7283 1 14 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.020 0.136 25510 7284 1 14 . 1 1 61 61 ALA C C 61 179.639 179.639 179.450 0.189 25510 7285 1 14 . 1 1 61 61 ALA CA C 61 55.655 55.655 55.000 0.655 25510 7286 1 14 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.316 0.234 25510 7287 1 14 . 1 1 61 61 ALA H H 61 8.583 8.583 7.630 0.953 25510 7288 1 14 . 1 1 62 62 VAL N N 62 116.024 116.024 116.175 -0.151 25510 7289 1 14 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.605 0.068 25510 7290 1 14 . 1 1 62 62 VAL C C 62 177.567 177.567 178.139 -0.572 25510 7291 1 14 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.929 0.974 25510 7292 1 14 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.391 0.162 25510 7293 1 14 . 1 1 62 62 VAL H H 62 7.517 7.517 7.697 -0.180 25510 7294 1 14 . 1 1 63 63 THR N N 63 117.797 117.797 115.140 2.657 25510 7295 1 14 . 1 1 63 63 THR HA H 63 4.318 4.318 4.161 0.157 25510 7296 1 14 . 1 1 63 63 THR C C 63 176.800 176.800 176.568 0.232 25510 7297 1 14 . 1 1 63 63 THR CA C 63 68.590 68.590 66.536 2.054 25510 7298 1 14 . 1 1 63 63 THR CB C 63 67.818 67.818 68.873 -1.054 25510 7299 1 14 . 1 1 63 63 THR H H 63 8.007 8.007 7.348 0.659 25510 7300 1 14 . 1 1 64 64 LYS N N 64 121.300 121.300 121.740 -0.440 25510 7301 1 14 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.138 -0.241 25510 7302 1 14 . 1 1 64 64 LYS C C 64 178.721 178.721 178.295 0.426 25510 7303 1 14 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.681 1.261 25510 7304 1 14 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.313 2.925 25510 7305 1 14 . 1 1 64 64 LYS H H 64 8.771 8.771 8.078 0.693 25510 7306 1 14 . 1 1 65 65 ALA N N 65 121.115 121.115 122.398 -1.283 25510 7307 1 14 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.243 -0.191 25510 7308 1 14 . 1 1 65 65 ALA C C 65 178.759 178.759 179.476 -0.717 25510 7309 1 14 . 1 1 65 65 ALA CA C 65 56.050 56.050 54.973 1.077 25510 7310 1 14 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.296 -0.052 25510 7311 1 14 . 1 1 65 65 ALA H H 65 8.598 8.598 8.304 0.294 25510 7312 1 14 . 1 1 66 66 ILE N N 66 118.735 118.735 118.144 0.591 25510 7313 1 14 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.850 -0.201 25510 7314 1 14 . 1 1 66 66 ILE C C 66 177.252 177.252 177.761 -0.509 25510 7315 1 14 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.832 4.127 25510 7316 1 14 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.956 1.093 25510 7317 1 14 . 1 1 66 66 ILE H H 66 8.657 8.657 7.673 0.984 25510 7318 1 14 . 1 1 67 67 ASN N N 67 117.463 117.463 118.623 -1.160 25510 7319 1 14 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.498 -0.091 25510 7320 1 14 . 1 1 67 67 ASN C C 67 178.095 178.095 177.730 0.365 25510 7321 1 14 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.840 -0.271 25510 7322 1 14 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.611 -0.230 25510 7323 1 14 . 1 1 67 67 ASN H H 67 7.525 7.525 7.637 -0.112 25510 7324 1 14 . 1 1 68 68 ILE N N 68 120.886 120.886 119.949 0.937 25510 7325 1 14 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.770 -0.524 25510 7326 1 14 . 1 1 68 68 ILE C C 68 177.540 177.540 177.949 -0.409 25510 7327 1 14 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.712 1.504 25510 7328 1 14 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.126 -0.710 25510 7329 1 14 . 1 1 68 68 ILE H H 68 8.170 8.170 7.570 0.600 25510 7330 1 14 . 1 1 69 69 PHE N N 69 117.836 117.836 119.994 -2.158 25510 7331 1 14 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.302 0.096 25510 7332 1 14 . 1 1 69 69 PHE C C 69 178.279 178.279 177.039 1.240 25510 7333 1 14 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.816 1.021 25510 7334 1 14 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.486 -1.492 25510 7335 1 14 . 1 1 69 69 PHE H H 69 8.963 8.963 8.337 0.626 25510 7336 1 14 . 1 1 70 70 GLN N N 70 118.145 118.145 118.656 -0.511 25510 7337 1 14 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.827 0.315 25510 7338 1 14 . 1 1 70 70 GLN C C 70 180.057 180.057 177.860 2.197 25510 7339 1 14 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.574 1.212 25510 7340 1 14 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.261 -0.588 25510 7341 1 14 . 1 1 70 70 GLN H H 70 8.480 8.480 8.296 0.184 25510 7342 1 14 . 1 1 71 71 LYS N N 71 123.368 123.368 119.039 4.329 25510 7343 1 14 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.083 -0.158 25510 7344 1 14 . 1 1 71 71 LYS C C 71 178.755 178.755 177.521 1.234 25510 7345 1 14 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.401 1.101 25510 7346 1 14 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.322 -0.294 25510 7347 1 14 . 1 1 71 71 LYS H H 71 8.099 8.099 7.500 0.599 25510 7348 1 14 . 1 1 72 72 LEU N N 72 117.830 117.830 117.717 0.113 25510 7349 1 14 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.229 -0.236 25510 7350 1 14 . 1 1 72 72 LEU C C 72 175.462 175.462 177.307 -1.845 25510 7351 1 14 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.023 -0.953 25510 7352 1 14 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.355 -0.200 25510 7353 1 14 . 1 1 72 72 LEU H H 72 7.866 7.866 7.130 0.736 25510 7354 1 14 . 1 1 73 73 ASN N N 73 113.996 113.996 113.220 0.776 25510 7355 1 14 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.469 -0.130 25510 7356 1 14 . 1 1 73 73 ASN C C 73 175.753 175.753 174.633 1.120 25510 7357 1 14 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.357 1.117 25510 7358 1 14 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.213 -3.734 25510 7359 1 14 . 1 1 73 73 ASN H H 73 8.026 8.026 7.556 0.470 25510 7360 1 14 . 1 1 74 74 TYR N N 74 122.244 122.244 119.828 2.416 25510 7361 1 14 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.900 0.377 25510 7362 1 14 . 1 1 74 74 TYR C C 74 177.548 177.548 175.411 2.137 25510 7363 1 14 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.609 -2.550 25510 7364 1 14 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.480 -3.104 25510 7365 1 14 . 1 1 74 74 TYR H H 74 8.613 8.613 7.263 1.350 25510 7366 1 14 . 1 1 75 75 MET N N 75 117.619 117.619 120.471 -2.852 25510 7367 1 14 . 1 1 75 75 MET HA H 75 4.275 4.275 4.076 0.199 25510 7368 1 14 . 1 1 75 75 MET C C 75 178.716 178.716 176.316 2.400 25510 7369 1 14 . 1 1 75 75 MET CA C 75 57.231 57.231 59.440 -2.208 25510 7370 1 14 . 1 1 75 75 MET CB C 75 30.304 30.304 32.155 -1.851 25510 7371 1 14 . 1 1 75 75 MET H H 75 7.722 7.722 8.016 -0.294 25510 7372 1 14 . 1 1 76 76 HIS N N 76 117.559 117.559 119.467 -1.908 25510 7373 1 14 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.479 -0.012 25510 7374 1 14 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.272 -0.275 25510 7375 1 14 . 1 1 76 76 HIS CB C 76 27.437 27.437 30.012 -2.575 25510 7376 1 14 . 1 1 76 76 HIS H H 76 8.865 8.865 8.226 0.639 25510 7377 1 14 . 1 1 77 77 ILE N N 77 119.750 119.750 119.540 0.210 25510 7378 1 14 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.718 -0.134 25510 7379 1 14 . 1 1 77 77 ILE C C 77 177.168 177.168 177.769 -0.601 25510 7380 1 14 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.243 -0.039 25510 7381 1 14 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.737 0.063 25510 7382 1 14 . 1 1 77 77 ILE H H 77 7.356 7.356 7.610 -0.254 25510 7383 1 14 . 1 1 78 78 ALA N N 78 120.662 120.662 122.096 -1.434 25510 7384 1 14 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.908 0.022 25510 7385 1 14 . 1 1 78 78 ALA C C 78 178.936 178.936 178.607 0.329 25510 7386 1 14 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.811 0.610 25510 7387 1 14 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.117 0.870 25510 7388 1 14 . 1 1 78 78 ALA H H 78 8.054 8.054 8.366 -0.312 25510 7389 1 14 . 1 1 79 79 ASN N N 79 114.176 114.176 116.971 -2.795 25510 7390 1 14 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.652 -0.208 25510 7391 1 14 . 1 1 79 79 ASN C C 79 177.625 177.625 177.386 0.239 25510 7392 1 14 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.346 -0.295 25510 7393 1 14 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.167 0.057 25510 7394 1 14 . 1 1 79 79 ASN H H 79 8.531 8.531 7.810 0.721 25510 7395 1 14 . 1 1 80 80 ALA N N 80 123.670 123.670 121.816 1.854 25510 7396 1 14 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.149 -0.021 25510 7397 1 14 . 1 1 80 80 ALA C C 80 180.727 180.727 179.418 1.309 25510 7398 1 14 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.382 0.780 25510 7399 1 14 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.471 -0.209 25510 7400 1 14 . 1 1 80 80 ALA H H 80 7.822 7.822 7.538 0.284 25510 7401 1 14 . 1 1 81 81 LEU N N 81 120.065 120.065 120.143 -0.078 25510 7402 1 14 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.078 -0.086 25510 7403 1 14 . 1 1 81 81 LEU C C 81 177.550 177.550 178.637 -1.087 25510 7404 1 14 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.412 0.461 25510 7405 1 14 . 1 1 81 81 LEU CB C 81 42.339 42.339 42.150 0.189 25510 7406 1 14 . 1 1 81 81 LEU H H 81 8.526 8.526 7.326 1.200 25510 7407 1 14 . 1 1 82 82 GLU N N 82 119.844 119.844 118.996 0.848 25510 7408 1 14 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.951 0.044 25510 7409 1 14 . 1 1 82 82 GLU C C 82 178.510 178.510 178.779 -0.269 25510 7410 1 14 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.227 0.444 25510 7411 1 14 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.657 0.147 25510 7412 1 14 . 1 1 82 82 GLU H H 82 8.429 8.429 8.755 -0.326 25510 7413 1 14 . 1 1 83 83 GLU N N 83 118.585 118.585 121.004 -2.419 25510 7414 1 14 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.061 -0.007 25510 7415 1 14 . 1 1 83 83 GLU C C 83 179.516 179.516 178.694 0.822 25510 7416 1 14 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.735 1.169 25510 7417 1 14 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.494 -0.535 25510 7418 1 14 . 1 1 83 83 GLU H H 83 8.138 8.138 8.079 0.059 25510 7419 1 14 . 1 1 84 84 LYS N N 84 119.135 119.135 119.899 -0.764 25510 7420 1 14 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.070 0.050 25510 7421 1 14 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.583 1.125 25510 7422 1 14 . 1 1 84 84 LYS H H 84 8.690 8.690 7.861 0.829 25510 7423 1 14 . 1 1 85 85 LYS N N 85 118.012 118.012 118.676 -0.664 25510 7424 1 14 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.079 0.378 25510 7425 1 14 . 1 1 85 85 LYS H H 85 8.109 8.109 7.751 0.358 25510 7426 1 14 . 1 1 86 86 LYS N N 86 119.839 119.839 117.342 2.497 25510 7427 1 14 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.035 -0.117 25510 7428 1 14 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.121 4.177 25510 7429 1 14 . 1 1 86 86 LYS H H 86 8.577 8.577 7.681 0.896 25510 7430 1 14 . 1 1 87 87 GLU N N 87 119.674 119.674 119.561 0.113 25510 7431 1 14 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.152 -0.161 25510 7432 1 14 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.470 0.769 25510 7433 1 14 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.444 -0.332 25510 7434 1 14 . 1 1 87 87 GLU H H 87 8.402 8.402 7.733 0.669 25510 7435 1 14 . 1 1 88 88 ALA N N 88 121.869 121.869 121.483 0.386 25510 7436 1 14 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.838 0.244 25510 7437 1 14 . 1 1 88 88 ALA C C 88 179.999 179.999 179.045 0.954 25510 7438 1 14 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.725 0.213 25510 7439 1 14 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.762 0.655 25510 7440 1 14 . 1 1 88 88 ALA H H 88 8.043 8.043 7.729 0.314 25510 7441 1 14 . 1 1 89 89 GLU N N 89 115.931 115.931 117.722 -1.791 25510 7442 1 14 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.879 0.125 25510 7443 1 14 . 1 1 89 89 GLU C C 89 178.454 178.454 179.541 -1.087 25510 7444 1 14 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.299 -0.905 25510 7445 1 14 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.320 -0.176 25510 7446 1 14 . 1 1 89 89 GLU H H 89 8.058 8.058 7.743 0.315 25510 7447 1 14 . 1 1 90 90 ARG N N 90 119.607 119.607 117.537 2.070 25510 7448 1 14 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.264 -0.081 25510 7449 1 14 . 1 1 90 90 ARG C C 90 177.870 177.870 178.689 -0.819 25510 7450 1 14 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.109 0.156 25510 7451 1 14 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.790 0.459 25510 7452 1 14 . 1 1 90 90 ARG H H 90 7.791 7.791 7.681 0.110 25510 7453 1 14 . 1 1 91 91 LYS N N 91 118.638 118.638 119.095 -0.457 25510 7454 1 14 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.135 0.062 25510 7455 1 14 . 1 1 91 91 LYS C C 91 177.087 177.087 177.122 -0.035 25510 7456 1 14 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.531 -0.925 25510 7457 1 14 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.194 0.426 25510 7458 1 14 . 1 1 91 91 LYS H H 91 7.709 7.709 7.344 0.365 25510 7459 1 14 . 1 1 92 92 LEU N N 92 119.640 119.640 119.054 0.586 25510 7460 1 14 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.425 -0.096 25510 7461 1 14 . 1 1 92 92 LEU C C 92 177.464 177.464 177.247 0.217 25510 7462 1 14 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.553 0.065 25510 7463 1 14 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.895 0.459 25510 7464 1 14 . 1 1 92 92 LEU H H 92 7.766 7.766 7.446 0.320 25510 7465 1 14 . 1 1 93 93 MET N N 93 119.121 119.121 117.574 1.547 25510 7466 1 14 . 1 1 93 93 MET HA H 93 4.570 4.570 4.552 0.018 25510 7467 1 14 . 1 1 93 93 MET C C 93 176.224 176.224 176.367 -0.143 25510 7468 1 14 . 1 1 93 93 MET CA C 93 55.648 55.648 56.740 -1.092 25510 7469 1 14 . 1 1 93 93 MET CB C 93 32.978 32.978 34.073 -1.095 25510 7470 1 14 . 1 1 93 93 MET H H 93 7.973 7.973 7.429 0.544 25510 7471 1 14 . 1 1 94 94 THR N N 94 114.125 114.125 115.451 -1.326 25510 7472 1 14 . 1 1 94 94 THR HA H 94 4.375 4.375 4.460 -0.085 25510 7473 1 14 . 1 1 94 94 THR C C 94 173.550 173.550 173.664 -0.114 25510 7474 1 14 . 1 1 94 94 THR CA C 94 61.682 61.682 61.431 0.251 25510 7475 1 14 . 1 1 94 94 THR CB C 94 70.027 70.027 69.711 0.316 25510 7476 1 14 . 1 1 94 94 THR H H 94 8.025 8.025 7.792 0.233 25510 7477 1 15 . 1 1 2 2 GLU N N 2 119.768 119.768 122.536 -2.768 25510 7478 1 15 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.172 -0.152 25510 7479 1 15 . 1 1 2 2 GLU C C 2 178.535 178.535 177.408 1.127 25510 7480 1 15 . 1 1 2 2 GLU CA C 2 60.749 60.749 58.890 1.859 25510 7481 1 15 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.691 -0.584 25510 7482 1 15 . 1 1 2 2 GLU H H 2 8.426 8.426 8.963 -0.537 25510 7483 1 15 . 1 1 3 3 SER N N 3 113.553 113.553 116.160 -2.607 25510 7484 1 15 . 1 1 3 3 SER HA H 3 4.235 4.235 4.175 0.060 25510 7485 1 15 . 1 1 3 3 SER C C 3 176.578 176.578 176.141 0.437 25510 7486 1 15 . 1 1 3 3 SER CA C 3 61.448 61.448 61.738 -0.290 25510 7487 1 15 . 1 1 3 3 SER CB C 3 62.746 62.746 62.547 0.199 25510 7488 1 15 . 1 1 3 3 SER H H 3 8.151 8.151 8.504 -0.353 25510 7489 1 15 . 1 1 4 4 GLU N N 4 122.599 122.599 121.741 0.858 25510 7490 1 15 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.108 -0.031 25510 7491 1 15 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.697 0.719 25510 7492 1 15 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.616 -1.355 25510 7493 1 15 . 1 1 4 4 GLU H H 4 8.051 8.051 7.743 0.308 25510 7494 1 15 . 1 1 5 5 TYR N N 5 119.991 119.991 119.482 0.509 25510 7495 1 15 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.437 0.035 25510 7496 1 15 . 1 1 5 5 TYR CA C 5 60.913 60.913 60.151 0.762 25510 7497 1 15 . 1 1 5 5 TYR CB C 5 37.953 37.953 39.083 -1.130 25510 7498 1 15 . 1 1 5 5 TYR H H 5 8.339 8.339 7.713 0.626 25510 7499 1 15 . 1 1 6 6 ARG N N 6 120.010 120.010 119.695 0.315 25510 7500 1 15 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.770 -0.011 25510 7501 1 15 . 1 1 6 6 ARG C C 6 177.365 177.365 177.972 -0.607 25510 7502 1 15 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.480 1.181 25510 7503 1 15 . 1 1 6 6 ARG CB C 6 30.338 30.338 30.134 0.204 25510 7504 1 15 . 1 1 6 6 ARG H H 6 8.202 8.202 7.967 0.235 25510 7505 1 15 . 1 1 7 7 GLU N N 7 116.287 116.287 119.355 -3.068 25510 7506 1 15 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.917 0.133 25510 7507 1 15 . 1 1 7 7 GLU C C 7 178.544 178.544 178.474 0.070 25510 7508 1 15 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.566 -0.152 25510 7509 1 15 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.523 -0.500 25510 7510 1 15 . 1 1 7 7 GLU H H 7 8.165 8.165 8.172 -0.007 25510 7511 1 15 . 1 1 8 8 MET N N 8 116.181 116.181 118.393 -2.212 25510 7512 1 15 . 1 1 8 8 MET HA H 8 4.411 4.411 4.150 0.261 25510 7513 1 15 . 1 1 8 8 MET C C 8 177.616 177.616 177.925 -0.309 25510 7514 1 15 . 1 1 8 8 MET CA C 8 59.067 59.067 57.887 1.180 25510 7515 1 15 . 1 1 8 8 MET CB C 8 32.089 32.089 32.227 -0.139 25510 7516 1 15 . 1 1 8 8 MET H H 8 8.168 8.168 7.621 0.547 25510 7517 1 15 . 1 1 9 9 LEU N N 9 122.056 122.056 119.589 2.467 25510 7518 1 15 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.932 0.049 25510 7519 1 15 . 1 1 9 9 LEU C C 9 177.211 177.211 179.077 -1.866 25510 7520 1 15 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.336 1.165 25510 7521 1 15 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.522 0.776 25510 7522 1 15 . 1 1 9 9 LEU H H 9 7.883 7.883 7.401 0.482 25510 7523 1 15 . 1 1 10 10 LEU N N 10 117.952 117.952 119.443 -1.491 25510 7524 1 15 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.820 0.134 25510 7525 1 15 . 1 1 10 10 LEU C C 10 176.132 176.132 178.773 -2.641 25510 7526 1 15 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.672 0.720 25510 7527 1 15 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.869 1.863 25510 7528 1 15 . 1 1 10 10 LEU H H 10 8.011 8.011 7.540 0.471 25510 7529 1 15 . 1 1 11 11 LEU N N 11 116.301 116.301 117.234 -0.933 25510 7530 1 15 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.974 0.176 25510 7531 1 15 . 1 1 11 11 LEU C C 11 179.384 179.384 178.415 0.969 25510 7532 1 15 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.992 -0.052 25510 7533 1 15 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.728 0.939 25510 7534 1 15 . 1 1 11 11 LEU H H 11 8.916 8.916 8.242 0.674 25510 7535 1 15 . 1 1 12 12 THR N N 12 112.429 112.429 109.419 3.010 25510 7536 1 15 . 1 1 12 12 THR HA H 12 4.148 4.148 4.011 0.137 25510 7537 1 15 . 1 1 12 12 THR C C 12 174.055 174.055 175.179 -1.124 25510 7538 1 15 . 1 1 12 12 THR CA C 12 65.127 65.127 63.813 1.314 25510 7539 1 15 . 1 1 12 12 THR CB C 12 68.421 68.421 68.227 0.194 25510 7540 1 15 . 1 1 12 12 THR H H 12 7.753 7.753 7.809 -0.056 25510 7541 1 15 . 1 1 13 13 GLY N N 13 124.320 124.320 108.367 15.953 25510 7542 1 15 . 1 1 13 13 GLY C C 13 173.259 173.259 174.828 -1.569 25510 7543 1 15 . 1 1 13 13 GLY CA C 13 46.434 46.434 44.904 1.530 25510 7544 1 15 . 1 1 13 13 GLY H H 13 7.019 7.019 7.810 -0.791 25510 7545 1 15 . 1 1 14 14 LEU N N 14 121.922 121.922 122.201 -0.279 25510 7546 1 15 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.177 -0.261 25510 7547 1 15 . 1 1 14 14 LEU C C 14 178.842 178.842 178.427 0.415 25510 7548 1 15 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.759 0.291 25510 7549 1 15 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.533 0.293 25510 7550 1 15 . 1 1 14 14 LEU H H 14 8.941 8.941 7.393 1.548 25510 7551 1 15 . 1 1 15 15 ASP N N 15 115.417 115.417 117.725 -2.308 25510 7552 1 15 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.541 -0.042 25510 7553 1 15 . 1 1 15 15 ASP C C 15 175.905 175.905 176.776 -0.871 25510 7554 1 15 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.540 -0.735 25510 7555 1 15 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.874 -3.049 25510 7556 1 15 . 1 1 15 15 ASP H H 15 9.012 9.012 7.787 1.225 25510 7557 1 15 . 1 1 16 16 HIS N N 16 114.840 114.840 115.439 -0.599 25510 7558 1 15 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.709 0.025 25510 7559 1 15 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.940 -0.368 25510 7560 1 15 . 1 1 16 16 HIS CB C 16 29.222 29.222 29.913 -0.692 25510 7561 1 15 . 1 1 16 16 HIS H H 16 7.807 7.807 8.395 -0.588 25510 7562 1 15 . 1 1 17 17 ILE N N 17 111.347 111.347 113.865 -2.518 25510 7563 1 15 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.598 0.363 25510 7564 1 15 . 1 1 17 17 ILE C C 17 176.154 176.154 174.564 1.590 25510 7565 1 15 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.880 0.632 25510 7566 1 15 . 1 1 17 17 ILE CB C 17 39.674 39.674 41.456 -1.782 25510 7567 1 15 . 1 1 17 17 ILE H H 17 7.041 7.041 7.404 -0.363 25510 7568 1 15 . 1 1 18 18 THR N N 18 114.804 114.804 116.632 -1.828 25510 7569 1 15 . 1 1 18 18 THR HA H 18 4.384 4.384 4.675 -0.291 25510 7570 1 15 . 1 1 18 18 THR C C 18 174.991 174.991 175.959 -0.968 25510 7571 1 15 . 1 1 18 18 THR CA C 18 61.063 61.063 60.900 0.163 25510 7572 1 15 . 1 1 18 18 THR CB C 18 71.227 71.227 70.458 0.769 25510 7573 1 15 . 1 1 18 18 THR H H 18 8.672 8.672 8.621 0.051 25510 7574 1 15 . 1 1 19 19 GLU N N 19 119.385 119.385 124.704 -5.319 25510 7575 1 15 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.901 0.131 25510 7576 1 15 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.108 -0.236 25510 7577 1 15 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.763 0.188 25510 7578 1 15 . 1 1 19 19 GLU H H 19 8.886 8.886 8.921 -0.035 25510 7579 1 15 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.097 -0.007 25510 7580 1 15 . 1 1 20 20 GLU C C 20 179.664 179.664 178.936 0.728 25510 7581 1 15 . 1 1 20 20 GLU CA C 20 59.595 59.595 58.906 0.689 25510 7582 1 15 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.804 0.239 25510 7583 1 15 . 1 1 21 21 GLU N N 21 120.346 120.346 119.273 1.073 25510 7584 1 15 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.214 0.056 25510 7585 1 15 . 1 1 21 21 GLU C C 21 179.079 179.079 178.794 0.285 25510 7586 1 15 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.307 0.211 25510 7587 1 15 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.439 0.446 25510 7588 1 15 . 1 1 21 21 GLU H H 21 7.611 7.611 7.649 -0.038 25510 7589 1 15 . 1 1 22 22 LEU N N 22 122.508 122.508 119.858 2.650 25510 7590 1 15 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.071 0.061 25510 7591 1 15 . 1 1 22 22 LEU C C 22 178.698 178.698 178.846 -0.148 25510 7592 1 15 . 1 1 22 22 LEU CA C 22 57.861 57.861 57.998 -0.137 25510 7593 1 15 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.619 0.101 25510 7594 1 15 . 1 1 22 22 LEU H H 22 9.016 9.016 7.386 1.630 25510 7595 1 15 . 1 1 23 23 LYS N N 23 119.162 119.162 117.573 1.589 25510 7596 1 15 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.088 -0.102 25510 7597 1 15 . 1 1 23 23 LYS C C 23 179.624 179.624 179.093 0.531 25510 7598 1 15 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.240 1.451 25510 7599 1 15 . 1 1 23 23 LYS CB C 23 32.394 32.394 31.798 0.596 25510 7600 1 15 . 1 1 23 23 LYS H H 23 7.777 7.777 7.658 0.119 25510 7601 1 15 . 1 1 24 24 ARG N N 24 119.502 119.502 119.876 -0.374 25510 7602 1 15 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.147 0.054 25510 7603 1 15 . 1 1 24 24 ARG C C 24 178.260 178.260 178.995 -0.735 25510 7604 1 15 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.120 0.112 25510 7605 1 15 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.097 -0.303 25510 7606 1 15 . 1 1 24 24 ARG H H 24 7.397 7.397 7.472 -0.075 25510 7607 1 15 . 1 1 25 25 PHE N N 25 120.567 120.567 120.767 -0.200 25510 7608 1 15 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.345 -0.477 25510 7609 1 15 . 1 1 25 25 PHE C C 25 177.302 177.302 177.244 0.058 25510 7610 1 15 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.034 1.147 25510 7611 1 15 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.330 0.213 25510 7612 1 15 . 1 1 25 25 PHE H H 25 8.798 8.798 8.252 0.546 25510 7613 1 15 . 1 1 26 26 LYS N N 26 117.901 117.901 119.267 -1.366 25510 7614 1 15 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.952 -0.278 25510 7615 1 15 . 1 1 26 26 LYS C C 26 177.118 177.118 179.121 -2.003 25510 7616 1 15 . 1 1 26 26 LYS CA C 26 60.962 60.962 58.860 2.102 25510 7617 1 15 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.884 1.155 25510 7618 1 15 . 1 1 26 26 LYS H H 26 8.841 8.841 7.944 0.897 25510 7619 1 15 . 1 1 27 27 TYR N N 27 118.480 118.480 121.174 -2.694 25510 7620 1 15 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.243 -0.087 25510 7621 1 15 . 1 1 27 27 TYR C C 27 178.460 178.460 177.590 0.870 25510 7622 1 15 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.356 0.101 25510 7623 1 15 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.593 -0.846 25510 7624 1 15 . 1 1 27 27 TYR H H 27 7.645 7.645 8.172 -0.527 25510 7625 1 15 . 1 1 28 28 PHE N N 28 117.525 117.525 118.756 -1.231 25510 7626 1 15 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.108 0.138 25510 7627 1 15 . 1 1 28 28 PHE C C 28 178.827 178.827 176.279 2.548 25510 7628 1 15 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.509 0.293 25510 7629 1 15 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.677 0.400 25510 7630 1 15 . 1 1 28 28 PHE H H 28 7.741 7.741 7.651 0.090 25510 7631 1 15 . 1 1 29 29 ALA N N 29 123.372 123.372 120.654 2.718 25510 7632 1 15 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.179 -0.206 25510 7633 1 15 . 1 1 29 29 ALA C C 29 178.340 178.340 178.041 0.299 25510 7634 1 15 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.717 1.605 25510 7635 1 15 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.159 -1.954 25510 7636 1 15 . 1 1 29 29 ALA H H 29 8.840 8.840 7.639 1.201 25510 7637 1 15 . 1 1 30 30 LEU N N 30 117.039 117.039 120.323 -3.284 25510 7638 1 15 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.783 -0.744 25510 7639 1 15 . 1 1 30 30 LEU C C 30 178.373 178.373 176.632 1.741 25510 7640 1 15 . 1 1 30 30 LEU CA C 30 58.344 58.344 54.138 4.206 25510 7641 1 15 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.719 1.208 25510 7642 1 15 . 1 1 30 30 LEU H H 30 7.443 7.443 7.689 -0.246 25510 7643 1 15 . 1 1 31 31 THR N N 31 125.874 125.874 114.733 11.141 25510 7644 1 15 . 1 1 31 31 THR HA H 31 4.228 4.228 4.016 0.212 25510 7645 1 15 . 1 1 31 31 THR C C 31 176.282 176.282 175.398 0.884 25510 7646 1 15 . 1 1 31 31 THR CA C 31 63.328 63.328 63.439 -0.111 25510 7647 1 15 . 1 1 31 31 THR CB C 31 69.170 69.170 69.414 -0.244 25510 7648 1 15 . 1 1 31 31 THR H H 31 7.014 7.014 7.918 -0.904 25510 7649 1 15 . 1 1 32 32 GLU N N 32 120.558 120.558 119.785 0.773 25510 7650 1 15 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.147 0.005 25510 7651 1 15 . 1 1 32 32 GLU C C 32 175.968 175.968 176.792 -0.824 25510 7652 1 15 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.017 0.764 25510 7653 1 15 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.323 1.738 25510 7654 1 15 . 1 1 32 32 GLU H H 32 7.808 7.808 8.400 -0.592 25510 7655 1 15 . 1 1 33 33 PHE N N 33 114.045 114.045 117.882 -3.837 25510 7656 1 15 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.423 0.047 25510 7657 1 15 . 1 1 33 33 PHE CA C 33 57.498 57.498 59.059 -1.561 25510 7658 1 15 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.020 1.523 25510 7659 1 15 . 1 1 33 33 PHE H H 33 8.390 8.390 7.599 0.791 25510 7660 1 15 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.987 0.283 25510 7661 1 15 . 1 1 34 34 GLN C C 34 174.516 174.516 174.728 -0.212 25510 7662 1 15 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.224 -0.070 25510 7663 1 15 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.923 -0.602 25510 7664 1 15 . 1 1 34 34 GLN H H 34 7.968 7.968 8.034 -0.066 25510 7665 1 15 . 1 1 35 35 ILE N N 35 119.653 119.653 121.168 -1.515 25510 7666 1 15 . 1 1 35 35 ILE HA H 35 4.371 4.371 4.073 0.298 25510 7667 1 15 . 1 1 35 35 ILE C C 35 173.592 173.592 175.724 -2.132 25510 7668 1 15 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.189 -1.779 25510 7669 1 15 . 1 1 35 35 ILE CB C 35 41.757 41.757 39.075 2.682 25510 7670 1 15 . 1 1 35 35 ILE H H 35 7.455 7.455 8.340 -0.885 25510 7671 1 15 . 1 1 36 36 ALA N N 36 126.668 126.668 129.471 -2.803 25510 7672 1 15 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.333 -0.065 25510 7673 1 15 . 1 1 36 36 ALA C C 36 178.784 178.784 178.025 0.759 25510 7674 1 15 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.660 -0.478 25510 7675 1 15 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.502 -0.237 25510 7676 1 15 . 1 1 36 36 ALA H H 36 8.238 8.238 8.340 -0.102 25510 7677 1 15 . 1 1 37 37 ARG N N 37 123.068 123.068 122.612 0.456 25510 7678 1 15 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.070 -0.254 25510 7679 1 15 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.483 1.355 25510 7680 1 15 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.229 -0.297 25510 7681 1 15 . 1 1 37 37 ARG H H 37 8.820 8.820 8.853 -0.033 25510 7682 1 15 . 1 1 38 38 SER N N 38 112.348 112.348 115.359 -3.011 25510 7683 1 15 . 1 1 38 38 SER HA H 38 4.178 4.178 4.408 -0.230 25510 7684 1 15 . 1 1 38 38 SER C C 38 178.315 178.315 176.114 2.201 25510 7685 1 15 . 1 1 38 38 SER CA C 38 60.772 60.772 60.773 -0.001 25510 7686 1 15 . 1 1 38 38 SER CB C 38 62.061 62.061 62.313 -0.252 25510 7687 1 15 . 1 1 38 38 SER H H 38 8.517 8.517 8.236 0.281 25510 7688 1 15 . 1 1 39 39 THR N N 39 117.311 117.311 114.145 3.166 25510 7689 1 15 . 1 1 39 39 THR HA H 39 4.025 4.025 4.124 -0.099 25510 7690 1 15 . 1 1 39 39 THR C C 39 175.203 175.203 175.575 -0.372 25510 7691 1 15 . 1 1 39 39 THR CA C 39 64.904 64.904 64.673 0.231 25510 7692 1 15 . 1 1 39 39 THR CB C 39 68.726 68.726 67.990 0.736 25510 7693 1 15 . 1 1 39 39 THR H H 39 7.231 7.231 8.297 -1.066 25510 7694 1 15 . 1 1 40 40 LEU N N 40 118.713 118.713 121.234 -2.521 25510 7695 1 15 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.999 0.032 25510 7696 1 15 . 1 1 40 40 LEU C C 40 177.743 177.743 178.189 -0.446 25510 7697 1 15 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.544 -1.481 25510 7698 1 15 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.017 1.277 25510 7699 1 15 . 1 1 40 40 LEU H H 40 7.552 7.552 7.345 0.207 25510 7700 1 15 . 1 1 41 41 ASP N N 41 119.468 119.468 119.705 -0.237 25510 7701 1 15 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.420 0.077 25510 7702 1 15 . 1 1 41 41 ASP C C 41 177.111 177.111 177.883 -0.772 25510 7703 1 15 . 1 1 41 41 ASP CA C 41 56.594 56.594 57.316 -0.722 25510 7704 1 15 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.365 -1.411 25510 7705 1 15 . 1 1 41 41 ASP H H 41 8.153 8.153 7.836 0.317 25510 7706 1 15 . 1 1 42 42 VAL N N 42 111.960 111.960 113.782 -1.822 25510 7707 1 15 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.625 -0.297 25510 7708 1 15 . 1 1 42 42 VAL C C 42 175.994 175.994 176.102 -0.108 25510 7709 1 15 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.368 -0.626 25510 7710 1 15 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.210 1.531 25510 7711 1 15 . 1 1 42 42 VAL H H 42 7.293 7.293 7.551 -0.258 25510 7712 1 15 . 1 1 43 43 ALA N N 43 124.575 124.575 124.578 -0.003 25510 7713 1 15 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.950 0.376 25510 7714 1 15 . 1 1 43 43 ALA C C 43 177.972 177.972 178.882 -0.910 25510 7715 1 15 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.478 -2.400 25510 7716 1 15 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.329 1.122 25510 7717 1 15 . 1 1 43 43 ALA H H 43 7.626 7.626 7.810 -0.184 25510 7718 1 15 . 1 1 44 44 ASP N N 44 119.810 119.810 117.291 2.519 25510 7719 1 15 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.269 -0.209 25510 7720 1 15 . 1 1 44 44 ASP C C 44 179.346 179.346 177.726 1.620 25510 7721 1 15 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.827 1.497 25510 7722 1 15 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.100 -8.168 25510 7723 1 15 . 1 1 44 44 ASP H H 44 8.002 8.002 8.803 -0.801 25510 7724 1 15 . 1 1 45 45 ARG N N 45 123.564 123.564 118.607 4.957 25510 7725 1 15 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.318 -0.549 25510 7726 1 15 . 1 1 45 45 ARG C C 45 177.492 177.492 178.226 -0.734 25510 7727 1 15 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.084 2.725 25510 7728 1 15 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.464 2.550 25510 7729 1 15 . 1 1 45 45 ARG H H 45 8.611 8.611 7.560 1.051 25510 7730 1 15 . 1 1 46 46 THR N N 46 118.315 118.315 111.214 7.101 25510 7731 1 15 . 1 1 46 46 THR HA H 46 4.051 4.051 4.347 -0.296 25510 7732 1 15 . 1 1 46 46 THR C C 46 179.947 179.947 176.123 3.824 25510 7733 1 15 . 1 1 46 46 THR CA C 46 59.605 59.605 64.182 -4.577 25510 7734 1 15 . 1 1 46 46 THR CB C 46 32.375 32.375 69.786 -37.411 25510 7735 1 15 . 1 1 46 46 THR H H 46 8.182 8.182 7.647 0.535 25510 7736 1 15 . 1 1 47 47 GLU N N 47 118.691 118.691 122.836 -4.145 25510 7737 1 15 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.238 -0.216 25510 7738 1 15 . 1 1 47 47 GLU C C 47 179.758 179.758 178.975 0.783 25510 7739 1 15 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.336 -0.137 25510 7740 1 15 . 1 1 47 47 GLU H H 47 8.117 8.117 7.670 0.447 25510 7741 1 15 . 1 1 48 48 LEU N N 48 120.020 120.020 120.541 -0.521 25510 7742 1 15 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.881 -0.122 25510 7743 1 15 . 1 1 48 48 LEU C C 48 177.474 177.474 179.021 -1.547 25510 7744 1 15 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.339 0.235 25510 7745 1 15 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.693 -0.090 25510 7746 1 15 . 1 1 48 48 LEU H H 48 8.355 8.355 8.480 -0.125 25510 7747 1 15 . 1 1 49 49 ALA N N 49 120.164 120.164 121.022 -0.858 25510 7748 1 15 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.795 -0.106 25510 7749 1 15 . 1 1 49 49 ALA C C 49 178.552 178.552 179.615 -1.063 25510 7750 1 15 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.387 0.742 25510 7751 1 15 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.665 -0.029 25510 7752 1 15 . 1 1 49 49 ALA H H 49 8.224 8.224 8.161 0.063 25510 7753 1 15 . 1 1 50 50 ASP N N 50 115.824 115.824 118.063 -2.239 25510 7754 1 15 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.382 0.036 25510 7755 1 15 . 1 1 50 50 ASP C C 50 179.108 179.108 178.534 0.574 25510 7756 1 15 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.225 0.696 25510 7757 1 15 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.045 -1.282 25510 7758 1 15 . 1 1 50 50 ASP H H 50 8.041 8.041 7.728 0.313 25510 7759 1 15 . 1 1 51 51 HIS N N 51 117.866 117.866 118.621 -0.755 25510 7760 1 15 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.345 0.120 25510 7761 1 15 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.321 -0.831 25510 7762 1 15 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.694 -2.629 25510 7763 1 15 . 1 1 51 51 HIS H H 51 8.541 8.541 8.391 0.150 25510 7764 1 15 . 1 1 52 52 LEU N N 52 120.279 120.279 117.728 2.551 25510 7765 1 15 . 1 1 52 52 LEU HA H 52 3.626 3.626 4.027 -0.401 25510 7766 1 15 . 1 1 52 52 LEU C C 52 178.488 178.488 178.691 -0.203 25510 7767 1 15 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.645 0.735 25510 7768 1 15 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.322 -1.891 25510 7769 1 15 . 1 1 52 52 LEU H H 52 8.529 8.529 8.260 0.269 25510 7770 1 15 . 1 1 53 53 ILE N N 53 119.478 119.478 118.277 1.201 25510 7771 1 15 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.903 -0.464 25510 7772 1 15 . 1 1 53 53 ILE C C 53 178.798 178.798 178.830 -0.032 25510 7773 1 15 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.092 2.893 25510 7774 1 15 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.883 0.770 25510 7775 1 15 . 1 1 53 53 ILE H H 53 8.069 8.069 7.469 0.600 25510 7776 1 15 . 1 1 54 54 GLN N N 54 119.904 119.904 116.907 2.997 25510 7777 1 15 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.003 0.017 25510 7778 1 15 . 1 1 54 54 GLN C C 54 177.668 177.668 177.437 0.231 25510 7779 1 15 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.938 0.722 25510 7780 1 15 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.141 0.348 25510 7781 1 15 . 1 1 54 54 GLN H H 54 8.382 8.382 7.963 0.419 25510 7782 1 15 . 1 1 55 55 SER N N 55 110.647 110.647 115.294 -4.647 25510 7783 1 15 . 1 1 55 55 SER HA H 55 4.353 4.353 4.250 0.103 25510 7784 1 15 . 1 1 55 55 SER C C 55 175.910 175.910 175.087 0.823 25510 7785 1 15 . 1 1 55 55 SER CA C 55 61.019 61.019 60.474 0.545 25510 7786 1 15 . 1 1 55 55 SER CB C 55 63.997 63.997 63.327 0.670 25510 7787 1 15 . 1 1 55 55 SER H H 55 7.623 7.623 7.663 -0.040 25510 7788 1 15 . 1 1 56 56 ALA N N 56 118.590 118.590 120.430 -1.840 25510 7789 1 15 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.482 0.243 25510 7790 1 15 . 1 1 56 56 ALA C C 56 178.537 178.537 176.862 1.675 25510 7791 1 15 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.279 0.433 25510 7792 1 15 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.550 1.212 25510 7793 1 15 . 1 1 56 56 ALA H H 56 7.908 7.908 7.726 0.182 25510 7794 1 15 . 1 1 57 57 GLY N N 57 109.060 109.060 105.723 3.337 25510 7795 1 15 . 1 1 57 57 GLY C C 57 174.410 174.410 173.469 0.941 25510 7796 1 15 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.806 -0.575 25510 7797 1 15 . 1 1 57 57 GLY H H 57 7.996 7.996 7.637 0.359 25510 7798 1 15 . 1 1 58 58 ALA N N 58 123.460 123.460 123.090 0.370 25510 7799 1 15 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.119 -0.113 25510 7800 1 15 . 1 1 58 58 ALA C C 58 177.285 177.285 179.274 -1.989 25510 7801 1 15 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.117 1.964 25510 7802 1 15 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.018 0.188 25510 7803 1 15 . 1 1 58 58 ALA H H 58 8.710 8.710 8.446 0.264 25510 7804 1 15 . 1 1 59 59 ALA N N 59 118.918 118.918 120.908 -1.990 25510 7805 1 15 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.290 -1.343 25510 7806 1 15 . 1 1 59 59 ALA C C 59 181.017 181.017 179.930 1.087 25510 7807 1 15 . 1 1 59 59 ALA CA C 59 55.393 55.393 55.126 0.267 25510 7808 1 15 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.817 0.213 25510 7809 1 15 . 1 1 59 59 ALA H H 59 8.272 8.272 8.640 -0.368 25510 7810 1 15 . 1 1 60 60 SER N N 60 112.905 112.905 114.822 -1.917 25510 7811 1 15 . 1 1 60 60 SER HA H 60 4.130 4.130 4.189 -0.059 25510 7812 1 15 . 1 1 60 60 SER C C 60 176.246 176.246 176.929 -0.683 25510 7813 1 15 . 1 1 60 60 SER CA C 60 60.601 60.601 62.005 -1.403 25510 7814 1 15 . 1 1 60 60 SER CB C 60 62.796 62.796 62.751 0.045 25510 7815 1 15 . 1 1 60 60 SER H H 60 8.218 8.218 8.380 -0.162 25510 7816 1 15 . 1 1 61 61 ALA N N 61 121.207 121.207 123.782 -2.575 25510 7817 1 15 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.186 -0.030 25510 7818 1 15 . 1 1 61 61 ALA C C 61 179.639 179.639 179.768 -0.129 25510 7819 1 15 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.873 0.782 25510 7820 1 15 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.361 0.188 25510 7821 1 15 . 1 1 61 61 ALA H H 61 8.583 8.583 7.551 1.032 25510 7822 1 15 . 1 1 62 62 VAL N N 62 116.024 116.024 117.662 -1.638 25510 7823 1 15 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.576 0.097 25510 7824 1 15 . 1 1 62 62 VAL C C 62 177.567 177.567 178.061 -0.494 25510 7825 1 15 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.843 1.060 25510 7826 1 15 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.286 0.267 25510 7827 1 15 . 1 1 62 62 VAL H H 62 7.517 7.517 8.221 -0.704 25510 7828 1 15 . 1 1 63 63 THR N N 63 117.797 117.797 113.109 4.688 25510 7829 1 15 . 1 1 63 63 THR HA H 63 4.318 4.318 4.189 0.129 25510 7830 1 15 . 1 1 63 63 THR C C 63 176.800 176.800 176.700 0.100 25510 7831 1 15 . 1 1 63 63 THR CA C 63 68.590 68.590 65.554 3.036 25510 7832 1 15 . 1 1 63 63 THR CB C 63 67.818 67.818 68.884 -1.066 25510 7833 1 15 . 1 1 63 63 THR H H 63 8.007 8.007 7.942 0.065 25510 7834 1 15 . 1 1 64 64 LYS N N 64 121.300 121.300 122.020 -0.720 25510 7835 1 15 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.134 -0.237 25510 7836 1 15 . 1 1 64 64 LYS C C 64 178.721 178.721 178.522 0.199 25510 7837 1 15 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.659 1.283 25510 7838 1 15 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.097 3.141 25510 7839 1 15 . 1 1 64 64 LYS H H 64 8.771 8.771 7.688 1.083 25510 7840 1 15 . 1 1 65 65 ALA N N 65 121.115 121.115 122.382 -1.267 25510 7841 1 15 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.289 -0.237 25510 7842 1 15 . 1 1 65 65 ALA C C 65 178.759 178.759 179.755 -0.996 25510 7843 1 15 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.007 1.043 25510 7844 1 15 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.220 0.024 25510 7845 1 15 . 1 1 65 65 ALA H H 65 8.598 8.598 8.265 0.333 25510 7846 1 15 . 1 1 66 66 ILE N N 66 118.735 118.735 118.114 0.621 25510 7847 1 15 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.866 -0.217 25510 7848 1 15 . 1 1 66 66 ILE C C 66 177.252 177.252 177.571 -0.319 25510 7849 1 15 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.557 4.402 25510 7850 1 15 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.859 1.190 25510 7851 1 15 . 1 1 66 66 ILE H H 66 8.657 8.657 7.610 1.047 25510 7852 1 15 . 1 1 67 67 ASN N N 67 117.463 117.463 119.274 -1.811 25510 7853 1 15 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.454 -0.047 25510 7854 1 15 . 1 1 67 67 ASN C C 67 178.095 178.095 177.803 0.292 25510 7855 1 15 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.701 -0.132 25510 7856 1 15 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.919 -0.538 25510 7857 1 15 . 1 1 67 67 ASN H H 67 7.525 7.525 7.592 -0.067 25510 7858 1 15 . 1 1 68 68 ILE N N 68 120.886 120.886 120.078 0.808 25510 7859 1 15 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.741 -0.495 25510 7860 1 15 . 1 1 68 68 ILE C C 68 177.540 177.540 177.707 -0.167 25510 7861 1 15 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.829 1.387 25510 7862 1 15 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.208 -0.792 25510 7863 1 15 . 1 1 68 68 ILE H H 68 8.170 8.170 8.083 0.087 25510 7864 1 15 . 1 1 69 69 PHE N N 69 117.836 117.836 119.954 -2.118 25510 7865 1 15 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.348 0.050 25510 7866 1 15 . 1 1 69 69 PHE C C 69 178.279 178.279 177.228 1.051 25510 7867 1 15 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.505 1.331 25510 7868 1 15 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.561 -1.567 25510 7869 1 15 . 1 1 69 69 PHE H H 69 8.963 8.963 8.117 0.846 25510 7870 1 15 . 1 1 70 70 GLN N N 70 118.145 118.145 118.831 -0.686 25510 7871 1 15 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.850 0.292 25510 7872 1 15 . 1 1 70 70 GLN C C 70 180.057 180.057 178.075 1.982 25510 7873 1 15 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.764 1.022 25510 7874 1 15 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.419 -0.746 25510 7875 1 15 . 1 1 70 70 GLN H H 70 8.480 8.480 8.395 0.085 25510 7876 1 15 . 1 1 71 71 LYS N N 71 123.368 123.368 117.652 5.716 25510 7877 1 15 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.046 -0.121 25510 7878 1 15 . 1 1 71 71 LYS C C 71 178.755 178.755 177.357 1.398 25510 7879 1 15 . 1 1 71 71 LYS CA C 71 59.502 59.502 57.447 2.055 25510 7880 1 15 . 1 1 71 71 LYS CB C 71 32.028 32.028 31.842 0.186 25510 7881 1 15 . 1 1 71 71 LYS H H 71 8.099 8.099 7.592 0.507 25510 7882 1 15 . 1 1 72 72 LEU N N 72 117.830 117.830 117.978 -0.148 25510 7883 1 15 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.139 -0.147 25510 7884 1 15 . 1 1 72 72 LEU C C 72 175.462 175.462 177.532 -2.070 25510 7885 1 15 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.085 -1.016 25510 7886 1 15 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.791 -0.636 25510 7887 1 15 . 1 1 72 72 LEU H H 72 7.866 7.866 7.305 0.561 25510 7888 1 15 . 1 1 73 73 ASN N N 73 113.996 113.996 114.923 -0.927 25510 7889 1 15 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.578 -0.239 25510 7890 1 15 . 1 1 73 73 ASN C C 73 175.753 175.753 175.073 0.680 25510 7891 1 15 . 1 1 73 73 ASN CA C 73 54.474 54.474 54.107 0.367 25510 7892 1 15 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.451 -3.972 25510 7893 1 15 . 1 1 73 73 ASN H H 73 8.026 8.026 7.678 0.348 25510 7894 1 15 . 1 1 74 74 TYR N N 74 122.244 122.244 118.440 3.804 25510 7895 1 15 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.979 0.298 25510 7896 1 15 . 1 1 74 74 TYR C C 74 177.548 177.548 175.429 2.119 25510 7897 1 15 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.923 -2.864 25510 7898 1 15 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.123 -2.747 25510 7899 1 15 . 1 1 74 74 TYR H H 74 8.613 8.613 7.060 1.553 25510 7900 1 15 . 1 1 75 75 MET N N 75 117.619 117.619 119.503 -1.884 25510 7901 1 15 . 1 1 75 75 MET HA H 75 4.275 4.275 4.067 0.208 25510 7902 1 15 . 1 1 75 75 MET C C 75 178.716 178.716 176.145 2.571 25510 7903 1 15 . 1 1 75 75 MET CA C 75 57.231 57.231 57.500 -0.269 25510 7904 1 15 . 1 1 75 75 MET CB C 75 30.304 30.304 31.640 -1.336 25510 7905 1 15 . 1 1 75 75 MET H H 75 7.722 7.722 7.926 -0.204 25510 7906 1 15 . 1 1 76 76 HIS N N 76 117.559 117.559 117.584 -0.025 25510 7907 1 15 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.489 -0.022 25510 7908 1 15 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.027 -0.030 25510 7909 1 15 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.473 -2.036 25510 7910 1 15 . 1 1 76 76 HIS H H 76 8.865 8.865 7.966 0.899 25510 7911 1 15 . 1 1 77 77 ILE N N 77 119.750 119.750 119.991 -0.241 25510 7912 1 15 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.857 -0.273 25510 7913 1 15 . 1 1 77 77 ILE C C 77 177.168 177.168 177.507 -0.339 25510 7914 1 15 . 1 1 77 77 ILE CA C 77 64.204 64.204 62.935 1.268 25510 7915 1 15 . 1 1 77 77 ILE CB C 77 37.800 37.800 38.011 -0.211 25510 7916 1 15 . 1 1 77 77 ILE H H 77 7.356 7.356 7.860 -0.504 25510 7917 1 15 . 1 1 78 78 ALA N N 78 120.662 120.662 122.611 -1.949 25510 7918 1 15 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.920 0.010 25510 7919 1 15 . 1 1 78 78 ALA C C 78 178.936 178.936 178.384 0.552 25510 7920 1 15 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.661 0.760 25510 7921 1 15 . 1 1 78 78 ALA CB C 78 18.987 18.987 17.996 0.991 25510 7922 1 15 . 1 1 78 78 ALA H H 78 8.054 8.054 8.216 -0.162 25510 7923 1 15 . 1 1 79 79 ASN N N 79 114.176 114.176 117.488 -3.312 25510 7924 1 15 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.725 -0.281 25510 7925 1 15 . 1 1 79 79 ASN C C 79 177.625 177.625 177.411 0.214 25510 7926 1 15 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.959 0.092 25510 7927 1 15 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.064 0.160 25510 7928 1 15 . 1 1 79 79 ASN H H 79 8.531 8.531 7.944 0.587 25510 7929 1 15 . 1 1 80 80 ALA N N 80 123.670 123.670 121.519 2.151 25510 7930 1 15 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.173 -0.045 25510 7931 1 15 . 1 1 80 80 ALA C C 80 180.727 180.727 179.717 1.010 25510 7932 1 15 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.782 0.380 25510 7933 1 15 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.487 -0.225 25510 7934 1 15 . 1 1 80 80 ALA H H 80 7.822 7.822 7.694 0.128 25510 7935 1 15 . 1 1 81 81 LEU N N 81 120.065 120.065 119.494 0.571 25510 7936 1 15 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.983 0.009 25510 7937 1 15 . 1 1 81 81 LEU C C 81 177.550 177.550 178.872 -1.322 25510 7938 1 15 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.897 -0.024 25510 7939 1 15 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.755 0.584 25510 7940 1 15 . 1 1 81 81 LEU H H 81 8.526 8.526 7.347 1.179 25510 7941 1 15 . 1 1 82 82 GLU N N 82 119.844 119.844 118.021 1.823 25510 7942 1 15 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.918 0.077 25510 7943 1 15 . 1 1 82 82 GLU C C 82 178.510 178.510 178.260 0.250 25510 7944 1 15 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.198 0.473 25510 7945 1 15 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.940 -0.136 25510 7946 1 15 . 1 1 82 82 GLU H H 82 8.429 8.429 8.367 0.062 25510 7947 1 15 . 1 1 83 83 GLU N N 83 118.585 118.585 119.868 -1.283 25510 7948 1 15 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.102 -0.048 25510 7949 1 15 . 1 1 83 83 GLU C C 83 179.516 179.516 178.911 0.605 25510 7950 1 15 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.636 1.268 25510 7951 1 15 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.746 -0.787 25510 7952 1 15 . 1 1 83 83 GLU H H 83 8.138 8.138 7.675 0.463 25510 7953 1 15 . 1 1 84 84 LYS N N 84 119.135 119.135 119.831 -0.696 25510 7954 1 15 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.082 0.038 25510 7955 1 15 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.528 1.180 25510 7956 1 15 . 1 1 84 84 LYS H H 84 8.690 8.690 7.723 0.967 25510 7957 1 15 . 1 1 85 85 LYS N N 85 118.012 118.012 118.028 -0.016 25510 7958 1 15 . 1 1 85 85 LYS HA H 85 4.457 4.457 3.955 0.502 25510 7959 1 15 . 1 1 85 85 LYS H H 85 8.109 8.109 7.552 0.557 25510 7960 1 15 . 1 1 86 86 LYS N N 86 119.839 119.839 117.890 1.949 25510 7961 1 15 . 1 1 86 86 LYS HA H 86 3.918 3.918 3.960 -0.042 25510 7962 1 15 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.498 3.800 25510 7963 1 15 . 1 1 86 86 LYS H H 86 8.577 8.577 7.581 0.996 25510 7964 1 15 . 1 1 87 87 GLU N N 87 119.674 119.674 119.160 0.514 25510 7965 1 15 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.177 -0.186 25510 7966 1 15 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.033 1.206 25510 7967 1 15 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.390 -0.278 25510 7968 1 15 . 1 1 87 87 GLU H H 87 8.402 8.402 7.746 0.656 25510 7969 1 15 . 1 1 88 88 ALA N N 88 121.869 121.869 122.789 -0.920 25510 7970 1 15 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.716 0.366 25510 7971 1 15 . 1 1 88 88 ALA C C 88 179.999 179.999 178.753 1.246 25510 7972 1 15 . 1 1 88 88 ALA CA C 88 54.938 54.938 55.078 -0.140 25510 7973 1 15 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.889 0.528 25510 7974 1 15 . 1 1 88 88 ALA H H 88 8.043 8.043 7.842 0.201 25510 7975 1 15 . 1 1 89 89 GLU N N 89 115.931 115.931 117.735 -1.804 25510 7976 1 15 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.783 0.221 25510 7977 1 15 . 1 1 89 89 GLU C C 89 178.454 178.454 178.797 -0.343 25510 7978 1 15 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.131 -0.737 25510 7979 1 15 . 1 1 89 89 GLU CB C 89 29.144 29.144 28.979 0.165 25510 7980 1 15 . 1 1 89 89 GLU H H 89 8.058 8.058 7.853 0.205 25510 7981 1 15 . 1 1 90 90 ARG N N 90 119.607 119.607 116.665 2.942 25510 7982 1 15 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.179 0.004 25510 7983 1 15 . 1 1 90 90 ARG C C 90 177.870 177.870 177.772 0.098 25510 7984 1 15 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.228 0.037 25510 7985 1 15 . 1 1 90 90 ARG CB C 90 30.249 30.249 30.033 0.216 25510 7986 1 15 . 1 1 90 90 ARG H H 90 7.791 7.791 7.748 0.043 25510 7987 1 15 . 1 1 91 91 LYS N N 91 118.638 118.638 118.945 -0.307 25510 7988 1 15 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.193 0.004 25510 7989 1 15 . 1 1 91 91 LYS C C 91 177.087 177.087 179.155 -2.068 25510 7990 1 15 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.495 -0.889 25510 7991 1 15 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.151 0.469 25510 7992 1 15 . 1 1 91 91 LYS H H 91 7.709 7.709 7.640 0.069 25510 7993 1 15 . 1 1 92 92 LEU N N 92 119.640 119.640 120.765 -1.125 25510 7994 1 15 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.221 0.108 25510 7995 1 15 . 1 1 92 92 LEU C C 92 177.464 177.464 177.380 0.084 25510 7996 1 15 . 1 1 92 92 LEU CA C 92 55.618 55.618 57.065 -1.447 25510 7997 1 15 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.368 -0.013 25510 7998 1 15 . 1 1 92 92 LEU H H 92 7.766 7.766 7.949 -0.183 25510 7999 1 15 . 1 1 93 93 MET N N 93 119.121 119.121 115.351 3.770 25510 8000 1 15 . 1 1 93 93 MET HA H 93 4.570 4.570 4.541 0.029 25510 8001 1 15 . 1 1 93 93 MET C C 93 176.224 176.224 175.509 0.715 25510 8002 1 15 . 1 1 93 93 MET CA C 93 55.648 55.648 55.474 0.174 25510 8003 1 15 . 1 1 93 93 MET CB C 93 32.978 32.978 32.897 0.081 25510 8004 1 15 . 1 1 93 93 MET H H 93 7.973 7.973 7.617 0.356 25510 8005 1 15 . 1 1 94 94 THR N N 94 114.125 114.125 116.456 -2.331 25510 8006 1 15 . 1 1 94 94 THR HA H 94 4.375 4.375 4.449 -0.074 25510 8007 1 15 . 1 1 94 94 THR C C 94 173.550 173.550 172.943 0.607 25510 8008 1 15 . 1 1 94 94 THR CA C 94 61.682 61.682 61.661 0.021 25510 8009 1 15 . 1 1 94 94 THR CB C 94 70.027 70.027 70.231 -0.203 25510 8010 1 15 . 1 1 94 94 THR H H 94 8.025 8.025 7.458 0.567 25510 8011 1 16 . 1 1 2 2 GLU N N 2 119.768 119.768 123.339 -3.571 25510 8012 1 16 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.220 -0.200 25510 8013 1 16 . 1 1 2 2 GLU C C 2 178.535 178.535 177.549 0.986 25510 8014 1 16 . 1 1 2 2 GLU CA C 2 60.749 60.749 60.150 0.599 25510 8015 1 16 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.487 -0.380 25510 8016 1 16 . 1 1 2 2 GLU H H 2 8.426 8.426 8.966 -0.540 25510 8017 1 16 . 1 1 3 3 SER N N 3 113.553 113.553 114.542 -0.989 25510 8018 1 16 . 1 1 3 3 SER HA H 3 4.235 4.235 4.246 -0.011 25510 8019 1 16 . 1 1 3 3 SER C C 3 176.578 176.578 176.610 -0.032 25510 8020 1 16 . 1 1 3 3 SER CA C 3 61.448 61.448 61.261 0.187 25510 8021 1 16 . 1 1 3 3 SER CB C 3 62.746 62.746 62.602 0.143 25510 8022 1 16 . 1 1 3 3 SER H H 3 8.151 8.151 8.199 -0.048 25510 8023 1 16 . 1 1 4 4 GLU N N 4 122.599 122.599 121.095 1.504 25510 8024 1 16 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.203 -0.126 25510 8025 1 16 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.488 0.928 25510 8026 1 16 . 1 1 4 4 GLU CB C 4 28.261 28.261 28.931 -0.670 25510 8027 1 16 . 1 1 4 4 GLU H H 4 8.051 8.051 8.638 -0.587 25510 8028 1 16 . 1 1 5 5 TYR N N 5 119.991 119.991 120.638 -0.647 25510 8029 1 16 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.295 0.177 25510 8030 1 16 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.113 -0.200 25510 8031 1 16 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.760 -0.807 25510 8032 1 16 . 1 1 5 5 TYR H H 5 8.339 8.339 8.021 0.318 25510 8033 1 16 . 1 1 6 6 ARG N N 6 120.010 120.010 118.450 1.560 25510 8034 1 16 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.754 0.005 25510 8035 1 16 . 1 1 6 6 ARG C C 6 177.365 177.365 177.956 -0.591 25510 8036 1 16 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.353 1.308 25510 8037 1 16 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.578 0.760 25510 8038 1 16 . 1 1 6 6 ARG H H 6 8.202 8.202 8.380 -0.178 25510 8039 1 16 . 1 1 7 7 GLU N N 7 116.287 116.287 120.612 -4.325 25510 8040 1 16 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.995 0.055 25510 8041 1 16 . 1 1 7 7 GLU C C 7 178.544 178.544 178.469 0.075 25510 8042 1 16 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.236 0.179 25510 8043 1 16 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.572 -0.548 25510 8044 1 16 . 1 1 7 7 GLU H H 7 8.165 8.165 7.748 0.417 25510 8045 1 16 . 1 1 8 8 MET N N 8 116.181 116.181 118.737 -2.556 25510 8046 1 16 . 1 1 8 8 MET HA H 8 4.411 4.411 4.117 0.294 25510 8047 1 16 . 1 1 8 8 MET C C 8 177.616 177.616 177.836 -0.220 25510 8048 1 16 . 1 1 8 8 MET CA C 8 59.067 59.067 58.764 0.303 25510 8049 1 16 . 1 1 8 8 MET CB C 8 32.089 32.089 32.740 -0.651 25510 8050 1 16 . 1 1 8 8 MET H H 8 8.168 8.168 7.586 0.582 25510 8051 1 16 . 1 1 9 9 LEU N N 9 122.056 122.056 117.667 4.389 25510 8052 1 16 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.934 0.047 25510 8053 1 16 . 1 1 9 9 LEU C C 9 177.211 177.211 177.722 -0.511 25510 8054 1 16 . 1 1 9 9 LEU CA C 9 58.501 58.501 56.917 1.584 25510 8055 1 16 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.974 0.324 25510 8056 1 16 . 1 1 9 9 LEU H H 9 7.883 7.883 7.227 0.656 25510 8057 1 16 . 1 1 10 10 LEU N N 10 117.952 117.952 116.182 1.770 25510 8058 1 16 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.878 0.076 25510 8059 1 16 . 1 1 10 10 LEU C C 10 176.132 176.132 179.217 -3.085 25510 8060 1 16 . 1 1 10 10 LEU CA C 10 58.392 58.392 56.908 1.484 25510 8061 1 16 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.287 1.445 25510 8062 1 16 . 1 1 10 10 LEU H H 10 8.011 8.011 7.539 0.472 25510 8063 1 16 . 1 1 11 11 LEU N N 11 116.301 116.301 117.176 -0.875 25510 8064 1 16 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.111 0.039 25510 8065 1 16 . 1 1 11 11 LEU C C 11 179.384 179.384 178.594 0.790 25510 8066 1 16 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.769 0.171 25510 8067 1 16 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.541 1.126 25510 8068 1 16 . 1 1 11 11 LEU H H 11 8.916 8.916 8.305 0.611 25510 8069 1 16 . 1 1 12 12 THR N N 12 112.429 112.429 115.875 -3.446 25510 8070 1 16 . 1 1 12 12 THR HA H 12 4.148 4.148 4.076 0.072 25510 8071 1 16 . 1 1 12 12 THR C C 12 174.055 174.055 175.693 -1.638 25510 8072 1 16 . 1 1 12 12 THR CA C 12 65.127 65.127 66.162 -1.035 25510 8073 1 16 . 1 1 12 12 THR CB C 12 68.421 68.421 68.107 0.314 25510 8074 1 16 . 1 1 12 12 THR H H 12 7.753 7.753 7.644 0.109 25510 8075 1 16 . 1 1 13 13 GLY N N 13 124.320 124.320 108.655 15.665 25510 8076 1 16 . 1 1 13 13 GLY C C 13 173.259 173.259 176.265 -3.006 25510 8077 1 16 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.291 1.143 25510 8078 1 16 . 1 1 13 13 GLY H H 13 7.019 7.019 7.704 -0.685 25510 8079 1 16 . 1 1 14 14 LEU N N 14 121.922 121.922 122.599 -0.677 25510 8080 1 16 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.126 -0.210 25510 8081 1 16 . 1 1 14 14 LEU C C 14 178.842 178.842 178.845 -0.003 25510 8082 1 16 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.554 0.496 25510 8083 1 16 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.171 0.655 25510 8084 1 16 . 1 1 14 14 LEU H H 14 8.941 8.941 7.420 1.521 25510 8085 1 16 . 1 1 15 15 ASP N N 15 115.417 115.417 116.062 -0.645 25510 8086 1 16 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.566 -0.067 25510 8087 1 16 . 1 1 15 15 ASP C C 15 175.905 175.905 176.158 -0.253 25510 8088 1 16 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.649 -0.844 25510 8089 1 16 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.597 -2.772 25510 8090 1 16 . 1 1 15 15 ASP H H 15 9.012 9.012 8.095 0.917 25510 8091 1 16 . 1 1 16 16 HIS N N 16 114.840 114.840 116.613 -1.773 25510 8092 1 16 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.660 0.074 25510 8093 1 16 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.608 -0.036 25510 8094 1 16 . 1 1 16 16 HIS CB C 16 29.222 29.222 31.044 -1.822 25510 8095 1 16 . 1 1 16 16 HIS H H 16 7.807 7.807 7.920 -0.113 25510 8096 1 16 . 1 1 17 17 ILE N N 17 111.347 111.347 115.052 -3.705 25510 8097 1 16 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.707 0.254 25510 8098 1 16 . 1 1 17 17 ILE C C 17 176.154 176.154 175.559 0.595 25510 8099 1 16 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.996 0.516 25510 8100 1 16 . 1 1 17 17 ILE CB C 17 39.674 39.674 41.234 -1.560 25510 8101 1 16 . 1 1 17 17 ILE H H 17 7.041 7.041 7.471 -0.430 25510 8102 1 16 . 1 1 18 18 THR N N 18 114.804 114.804 113.373 1.431 25510 8103 1 16 . 1 1 18 18 THR HA H 18 4.384 4.384 4.454 -0.070 25510 8104 1 16 . 1 1 18 18 THR C C 18 174.991 174.991 175.280 -0.289 25510 8105 1 16 . 1 1 18 18 THR CA C 18 61.063 61.063 60.845 0.218 25510 8106 1 16 . 1 1 18 18 THR CB C 18 71.227 71.227 70.388 0.839 25510 8107 1 16 . 1 1 18 18 THR H H 18 8.672 8.672 8.753 -0.081 25510 8108 1 16 . 1 1 19 19 GLU N N 19 119.385 119.385 121.429 -2.044 25510 8109 1 16 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.024 0.008 25510 8110 1 16 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.151 -0.279 25510 8111 1 16 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.494 -0.543 25510 8112 1 16 . 1 1 19 19 GLU H H 19 8.886 8.886 8.900 -0.014 25510 8113 1 16 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.068 0.022 25510 8114 1 16 . 1 1 20 20 GLU C C 20 179.664 179.664 179.106 0.558 25510 8115 1 16 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.117 0.478 25510 8116 1 16 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.011 0.032 25510 8117 1 16 . 1 1 21 21 GLU N N 21 120.346 120.346 119.553 0.793 25510 8118 1 16 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.178 0.092 25510 8119 1 16 . 1 1 21 21 GLU C C 21 179.079 179.079 178.811 0.268 25510 8120 1 16 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.073 0.445 25510 8121 1 16 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.762 0.123 25510 8122 1 16 . 1 1 21 21 GLU H H 21 7.611 7.611 7.565 0.046 25510 8123 1 16 . 1 1 22 22 LEU N N 22 122.508 122.508 121.428 1.080 25510 8124 1 16 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.084 0.048 25510 8125 1 16 . 1 1 22 22 LEU C C 22 178.698 178.698 178.551 0.147 25510 8126 1 16 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.327 -0.466 25510 8127 1 16 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.233 -0.513 25510 8128 1 16 . 1 1 22 22 LEU H H 22 9.016 9.016 8.025 0.991 25510 8129 1 16 . 1 1 23 23 LYS N N 23 119.162 119.162 116.672 2.490 25510 8130 1 16 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.103 -0.117 25510 8131 1 16 . 1 1 23 23 LYS C C 23 179.624 179.624 178.830 0.794 25510 8132 1 16 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.046 1.645 25510 8133 1 16 . 1 1 23 23 LYS CB C 23 32.394 32.394 31.822 0.572 25510 8134 1 16 . 1 1 23 23 LYS H H 23 7.777 7.777 7.801 -0.024 25510 8135 1 16 . 1 1 24 24 ARG N N 24 119.502 119.502 120.752 -1.250 25510 8136 1 16 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.165 0.036 25510 8137 1 16 . 1 1 24 24 ARG C C 24 178.260 178.260 178.621 -0.361 25510 8138 1 16 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.352 -0.120 25510 8139 1 16 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.166 -0.372 25510 8140 1 16 . 1 1 24 24 ARG H H 24 7.397 7.397 7.444 -0.047 25510 8141 1 16 . 1 1 25 25 PHE N N 25 120.567 120.567 120.222 0.345 25510 8142 1 16 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.342 -0.474 25510 8143 1 16 . 1 1 25 25 PHE C C 25 177.302 177.302 177.188 0.114 25510 8144 1 16 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.314 0.867 25510 8145 1 16 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.171 0.372 25510 8146 1 16 . 1 1 25 25 PHE H H 25 8.798 8.798 8.101 0.697 25510 8147 1 16 . 1 1 26 26 LYS N N 26 117.901 117.901 118.969 -1.068 25510 8148 1 16 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.746 -0.072 25510 8149 1 16 . 1 1 26 26 LYS C C 26 177.118 177.118 179.153 -2.035 25510 8150 1 16 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.347 1.615 25510 8151 1 16 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.251 0.788 25510 8152 1 16 . 1 1 26 26 LYS H H 26 8.841 8.841 7.839 1.002 25510 8153 1 16 . 1 1 27 27 TYR N N 27 118.480 118.480 121.962 -3.482 25510 8154 1 16 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.165 -0.009 25510 8155 1 16 . 1 1 27 27 TYR C C 27 178.460 178.460 177.098 1.362 25510 8156 1 16 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.833 -0.376 25510 8157 1 16 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.709 -0.962 25510 8158 1 16 . 1 1 27 27 TYR H H 27 7.645 7.645 8.087 -0.442 25510 8159 1 16 . 1 1 28 28 PHE N N 28 117.525 117.525 116.528 0.997 25510 8160 1 16 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.106 0.140 25510 8161 1 16 . 1 1 28 28 PHE C C 28 178.827 178.827 177.186 1.641 25510 8162 1 16 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.984 -0.182 25510 8163 1 16 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.120 0.957 25510 8164 1 16 . 1 1 28 28 PHE H H 28 7.741 7.741 7.882 -0.141 25510 8165 1 16 . 1 1 29 29 ALA N N 29 123.372 123.372 120.641 2.731 25510 8166 1 16 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.146 -0.173 25510 8167 1 16 . 1 1 29 29 ALA C C 29 178.340 178.340 178.035 0.305 25510 8168 1 16 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.827 1.495 25510 8169 1 16 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.032 -1.828 25510 8170 1 16 . 1 1 29 29 ALA H H 29 8.840 8.840 7.784 1.056 25510 8171 1 16 . 1 1 30 30 LEU N N 30 117.039 117.039 119.945 -2.906 25510 8172 1 16 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.825 -0.786 25510 8173 1 16 . 1 1 30 30 LEU C C 30 178.373 178.373 176.288 2.085 25510 8174 1 16 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.906 4.438 25510 8175 1 16 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.935 0.992 25510 8176 1 16 . 1 1 30 30 LEU H H 30 7.443 7.443 7.723 -0.280 25510 8177 1 16 . 1 1 31 31 THR N N 31 125.874 125.874 114.610 11.264 25510 8178 1 16 . 1 1 31 31 THR HA H 31 4.228 4.228 4.109 0.119 25510 8179 1 16 . 1 1 31 31 THR C C 31 176.282 176.282 175.583 0.699 25510 8180 1 16 . 1 1 31 31 THR CA C 31 63.328 63.328 63.103 0.225 25510 8181 1 16 . 1 1 31 31 THR CB C 31 69.170 69.170 69.678 -0.508 25510 8182 1 16 . 1 1 31 31 THR H H 31 7.014 7.014 7.909 -0.894 25510 8183 1 16 . 1 1 32 32 GLU N N 32 120.558 120.558 120.087 0.471 25510 8184 1 16 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.148 0.004 25510 8185 1 16 . 1 1 32 32 GLU C C 32 175.968 175.968 176.864 -0.896 25510 8186 1 16 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.381 0.400 25510 8187 1 16 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.910 2.151 25510 8188 1 16 . 1 1 32 32 GLU H H 32 7.808 7.808 8.386 -0.578 25510 8189 1 16 . 1 1 33 33 PHE N N 33 114.045 114.045 118.011 -3.966 25510 8190 1 16 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.462 0.008 25510 8191 1 16 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.779 -1.281 25510 8192 1 16 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.944 1.599 25510 8193 1 16 . 1 1 33 33 PHE H H 33 8.390 8.390 7.580 0.810 25510 8194 1 16 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.939 0.331 25510 8195 1 16 . 1 1 34 34 GLN C C 34 174.516 174.516 175.010 -0.494 25510 8196 1 16 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.796 0.358 25510 8197 1 16 . 1 1 34 34 GLN CB C 34 26.321 26.321 27.209 -0.888 25510 8198 1 16 . 1 1 34 34 GLN H H 34 7.968 7.968 8.127 -0.159 25510 8199 1 16 . 1 1 35 35 ILE N N 35 119.653 119.653 121.293 -1.640 25510 8200 1 16 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.933 0.438 25510 8201 1 16 . 1 1 35 35 ILE C C 35 173.592 173.592 175.403 -1.811 25510 8202 1 16 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.447 -2.037 25510 8203 1 16 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.961 2.796 25510 8204 1 16 . 1 1 35 35 ILE H H 35 7.455 7.455 8.007 -0.552 25510 8205 1 16 . 1 1 36 36 ALA N N 36 126.668 126.668 128.201 -1.533 25510 8206 1 16 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.414 -0.146 25510 8207 1 16 . 1 1 36 36 ALA C C 36 178.784 178.784 178.037 0.747 25510 8208 1 16 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.019 0.163 25510 8209 1 16 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.511 -0.246 25510 8210 1 16 . 1 1 36 36 ALA H H 36 8.238 8.238 8.441 -0.203 25510 8211 1 16 . 1 1 37 37 ARG N N 37 123.068 123.068 124.123 -1.055 25510 8212 1 16 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.087 -0.271 25510 8213 1 16 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.264 1.574 25510 8214 1 16 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.086 -0.154 25510 8215 1 16 . 1 1 37 37 ARG H H 37 8.820 8.820 8.885 -0.065 25510 8216 1 16 . 1 1 38 38 SER N N 38 112.348 112.348 114.241 -1.893 25510 8217 1 16 . 1 1 38 38 SER HA H 38 4.178 4.178 4.350 -0.172 25510 8218 1 16 . 1 1 38 38 SER C C 38 178.315 178.315 176.001 2.314 25510 8219 1 16 . 1 1 38 38 SER CA C 38 60.772 60.772 60.531 0.241 25510 8220 1 16 . 1 1 38 38 SER CB C 38 62.061 62.061 62.835 -0.774 25510 8221 1 16 . 1 1 38 38 SER H H 38 8.517 8.517 8.343 0.174 25510 8222 1 16 . 1 1 39 39 THR N N 39 117.311 117.311 114.497 2.814 25510 8223 1 16 . 1 1 39 39 THR HA H 39 4.025 4.025 4.187 -0.162 25510 8224 1 16 . 1 1 39 39 THR C C 39 175.203 175.203 176.068 -0.865 25510 8225 1 16 . 1 1 39 39 THR CA C 39 64.904 64.904 64.094 0.810 25510 8226 1 16 . 1 1 39 39 THR CB C 39 68.726 68.726 68.812 -0.086 25510 8227 1 16 . 1 1 39 39 THR H H 39 7.231 7.231 7.667 -0.436 25510 8228 1 16 . 1 1 40 40 LEU N N 40 118.713 118.713 120.559 -1.846 25510 8229 1 16 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.977 0.054 25510 8230 1 16 . 1 1 40 40 LEU C C 40 177.743 177.743 178.181 -0.438 25510 8231 1 16 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.798 -0.735 25510 8232 1 16 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.277 1.017 25510 8233 1 16 . 1 1 40 40 LEU H H 40 7.552 7.552 7.331 0.221 25510 8234 1 16 . 1 1 41 41 ASP N N 41 119.468 119.468 119.401 0.067 25510 8235 1 16 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.459 0.038 25510 8236 1 16 . 1 1 41 41 ASP C C 41 177.111 177.111 177.747 -0.636 25510 8237 1 16 . 1 1 41 41 ASP CA C 41 56.594 56.594 57.023 -0.429 25510 8238 1 16 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.346 -1.393 25510 8239 1 16 . 1 1 41 41 ASP H H 41 8.153 8.153 7.699 0.454 25510 8240 1 16 . 1 1 42 42 VAL N N 42 111.960 111.960 113.855 -1.895 25510 8241 1 16 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.533 -0.205 25510 8242 1 16 . 1 1 42 42 VAL C C 42 175.994 175.994 176.137 -0.143 25510 8243 1 16 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.715 0.027 25510 8244 1 16 . 1 1 42 42 VAL CB C 42 32.741 32.741 30.950 1.791 25510 8245 1 16 . 1 1 42 42 VAL H H 42 7.293 7.293 7.618 -0.325 25510 8246 1 16 . 1 1 43 43 ALA N N 43 124.575 124.575 125.085 -0.510 25510 8247 1 16 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.968 0.358 25510 8248 1 16 . 1 1 43 43 ALA C C 43 177.972 177.972 179.222 -1.250 25510 8249 1 16 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.746 -2.668 25510 8250 1 16 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.473 0.979 25510 8251 1 16 . 1 1 43 43 ALA H H 43 7.626 7.626 7.889 -0.263 25510 8252 1 16 . 1 1 44 44 ASP N N 44 119.810 119.810 117.453 2.357 25510 8253 1 16 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.311 -0.251 25510 8254 1 16 . 1 1 44 44 ASP C C 44 179.346 179.346 177.811 1.535 25510 8255 1 16 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.745 1.579 25510 8256 1 16 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.096 -8.164 25510 8257 1 16 . 1 1 44 44 ASP H H 44 8.002 8.002 8.875 -0.873 25510 8258 1 16 . 1 1 45 45 ARG N N 45 123.564 123.564 118.513 5.051 25510 8259 1 16 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.305 -0.536 25510 8260 1 16 . 1 1 45 45 ARG C C 45 177.492 177.492 178.230 -0.738 25510 8261 1 16 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.207 2.602 25510 8262 1 16 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.454 2.560 25510 8263 1 16 . 1 1 45 45 ARG H H 45 8.611 8.611 7.550 1.061 25510 8264 1 16 . 1 1 46 46 THR N N 46 118.315 118.315 110.821 7.494 25510 8265 1 16 . 1 1 46 46 THR HA H 46 4.051 4.051 4.307 -0.256 25510 8266 1 16 . 1 1 46 46 THR C C 46 179.947 179.947 176.474 3.473 25510 8267 1 16 . 1 1 46 46 THR CA C 46 59.605 59.605 64.349 -4.744 25510 8268 1 16 . 1 1 46 46 THR CB C 46 32.375 32.375 69.779 -37.404 25510 8269 1 16 . 1 1 46 46 THR H H 46 8.182 8.182 7.806 0.376 25510 8270 1 16 . 1 1 47 47 GLU N N 47 118.691 118.691 121.252 -2.561 25510 8271 1 16 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.216 -0.194 25510 8272 1 16 . 1 1 47 47 GLU C C 47 179.758 179.758 178.922 0.836 25510 8273 1 16 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.456 -0.257 25510 8274 1 16 . 1 1 47 47 GLU H H 47 8.117 8.117 7.734 0.383 25510 8275 1 16 . 1 1 48 48 LEU N N 48 120.020 120.020 121.436 -1.416 25510 8276 1 16 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.968 -0.209 25510 8277 1 16 . 1 1 48 48 LEU C C 48 177.474 177.474 178.879 -1.405 25510 8278 1 16 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.912 0.662 25510 8279 1 16 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.776 -0.174 25510 8280 1 16 . 1 1 48 48 LEU H H 48 8.355 8.355 8.268 0.087 25510 8281 1 16 . 1 1 49 49 ALA N N 49 120.164 120.164 120.571 -0.407 25510 8282 1 16 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.849 -0.160 25510 8283 1 16 . 1 1 49 49 ALA C C 49 178.552 178.552 179.180 -0.628 25510 8284 1 16 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.535 0.594 25510 8285 1 16 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.817 -0.181 25510 8286 1 16 . 1 1 49 49 ALA H H 49 8.224 8.224 7.635 0.589 25510 8287 1 16 . 1 1 50 50 ASP N N 50 115.824 115.824 118.137 -2.313 25510 8288 1 16 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.328 0.090 25510 8289 1 16 . 1 1 50 50 ASP C C 50 179.108 179.108 177.770 1.338 25510 8290 1 16 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.208 0.713 25510 8291 1 16 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.881 -1.118 25510 8292 1 16 . 1 1 50 50 ASP H H 50 8.041 8.041 7.646 0.395 25510 8293 1 16 . 1 1 51 51 HIS N N 51 117.866 117.866 120.035 -2.169 25510 8294 1 16 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.300 0.165 25510 8295 1 16 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.715 -1.225 25510 8296 1 16 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.658 -2.593 25510 8297 1 16 . 1 1 51 51 HIS H H 51 8.541 8.541 8.052 0.489 25510 8298 1 16 . 1 1 52 52 LEU N N 52 120.279 120.279 118.021 2.258 25510 8299 1 16 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.948 -0.322 25510 8300 1 16 . 1 1 52 52 LEU C C 52 178.488 178.488 179.281 -0.793 25510 8301 1 16 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.069 0.311 25510 8302 1 16 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.420 -1.989 25510 8303 1 16 . 1 1 52 52 LEU H H 52 8.529 8.529 8.307 0.222 25510 8304 1 16 . 1 1 53 53 ILE N N 53 119.478 119.478 114.308 5.170 25510 8305 1 16 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.994 -0.555 25510 8306 1 16 . 1 1 53 53 ILE C C 53 178.798 178.798 177.435 1.363 25510 8307 1 16 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.776 2.209 25510 8308 1 16 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.192 0.461 25510 8309 1 16 . 1 1 53 53 ILE H H 53 8.069 8.069 7.578 0.491 25510 8310 1 16 . 1 1 54 54 GLN N N 54 119.904 119.904 118.616 1.288 25510 8311 1 16 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.934 0.086 25510 8312 1 16 . 1 1 54 54 GLN C C 54 177.668 177.668 177.620 0.048 25510 8313 1 16 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.285 0.375 25510 8314 1 16 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.140 0.349 25510 8315 1 16 . 1 1 54 54 GLN H H 54 8.382 8.382 7.675 0.707 25510 8316 1 16 . 1 1 55 55 SER N N 55 110.647 110.647 114.374 -3.727 25510 8317 1 16 . 1 1 55 55 SER HA H 55 4.353 4.353 4.193 0.160 25510 8318 1 16 . 1 1 55 55 SER C C 55 175.910 175.910 175.088 0.822 25510 8319 1 16 . 1 1 55 55 SER CA C 55 61.019 61.019 60.889 0.130 25510 8320 1 16 . 1 1 55 55 SER CB C 55 63.997 63.997 63.301 0.696 25510 8321 1 16 . 1 1 55 55 SER H H 55 7.623 7.623 7.603 0.020 25510 8322 1 16 . 1 1 56 56 ALA N N 56 118.590 118.590 120.700 -2.110 25510 8323 1 16 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.450 0.275 25510 8324 1 16 . 1 1 56 56 ALA C C 56 178.537 178.537 176.663 1.874 25510 8325 1 16 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.359 0.353 25510 8326 1 16 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.974 0.788 25510 8327 1 16 . 1 1 56 56 ALA H H 56 7.908 7.908 7.679 0.229 25510 8328 1 16 . 1 1 57 57 GLY N N 57 109.060 109.060 105.516 3.544 25510 8329 1 16 . 1 1 57 57 GLY C C 57 174.410 174.410 173.371 1.039 25510 8330 1 16 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.450 -1.219 25510 8331 1 16 . 1 1 57 57 GLY H H 57 7.996 7.996 7.685 0.311 25510 8332 1 16 . 1 1 58 58 ALA N N 58 123.460 123.460 123.401 0.059 25510 8333 1 16 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.089 -0.083 25510 8334 1 16 . 1 1 58 58 ALA C C 58 177.285 177.285 179.252 -1.967 25510 8335 1 16 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.788 2.293 25510 8336 1 16 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.879 0.327 25510 8337 1 16 . 1 1 58 58 ALA H H 58 8.710 8.710 8.502 0.208 25510 8338 1 16 . 1 1 59 59 ALA N N 59 118.918 118.918 120.468 -1.550 25510 8339 1 16 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.220 -1.273 25510 8340 1 16 . 1 1 59 59 ALA C C 59 181.017 181.017 180.280 0.737 25510 8341 1 16 . 1 1 59 59 ALA CA C 59 55.393 55.393 55.176 0.217 25510 8342 1 16 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.068 -0.038 25510 8343 1 16 . 1 1 59 59 ALA H H 59 8.272 8.272 8.464 -0.192 25510 8344 1 16 . 1 1 60 60 SER N N 60 112.905 112.905 114.044 -1.139 25510 8345 1 16 . 1 1 60 60 SER HA H 60 4.130 4.130 4.214 -0.084 25510 8346 1 16 . 1 1 60 60 SER C C 60 176.246 176.246 176.485 -0.239 25510 8347 1 16 . 1 1 60 60 SER CA C 60 60.601 60.601 61.511 -0.910 25510 8348 1 16 . 1 1 60 60 SER CB C 60 62.796 62.796 62.704 0.092 25510 8349 1 16 . 1 1 60 60 SER H H 60 8.218 8.218 7.832 0.386 25510 8350 1 16 . 1 1 61 61 ALA N N 61 121.207 121.207 124.491 -3.284 25510 8351 1 16 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.198 -0.042 25510 8352 1 16 . 1 1 61 61 ALA C C 61 179.639 179.639 179.785 -0.146 25510 8353 1 16 . 1 1 61 61 ALA CA C 61 55.655 55.655 55.104 0.551 25510 8354 1 16 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.321 0.229 25510 8355 1 16 . 1 1 61 61 ALA H H 61 8.583 8.583 7.879 0.704 25510 8356 1 16 . 1 1 62 62 VAL N N 62 116.024 116.024 116.677 -0.653 25510 8357 1 16 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.706 -0.033 25510 8358 1 16 . 1 1 62 62 VAL C C 62 177.567 177.567 177.767 -0.200 25510 8359 1 16 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.267 1.636 25510 8360 1 16 . 1 1 62 62 VAL CB C 62 31.553 31.553 30.953 0.600 25510 8361 1 16 . 1 1 62 62 VAL H H 62 7.517 7.517 8.533 -1.016 25510 8362 1 16 . 1 1 63 63 THR N N 63 117.797 117.797 109.883 7.914 25510 8363 1 16 . 1 1 63 63 THR HA H 63 4.318 4.318 4.291 0.027 25510 8364 1 16 . 1 1 63 63 THR C C 63 176.800 176.800 176.799 0.001 25510 8365 1 16 . 1 1 63 63 THR CA C 63 68.590 68.590 64.987 3.603 25510 8366 1 16 . 1 1 63 63 THR CB C 63 67.818 67.818 69.424 -1.606 25510 8367 1 16 . 1 1 63 63 THR H H 63 8.007 8.007 7.471 0.536 25510 8368 1 16 . 1 1 64 64 LYS N N 64 121.300 121.300 121.798 -0.498 25510 8369 1 16 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.115 -0.218 25510 8370 1 16 . 1 1 64 64 LYS C C 64 178.721 178.721 178.616 0.105 25510 8371 1 16 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.931 1.010 25510 8372 1 16 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.847 2.391 25510 8373 1 16 . 1 1 64 64 LYS H H 64 8.771 8.771 7.794 0.977 25510 8374 1 16 . 1 1 65 65 ALA N N 65 121.115 121.115 122.494 -1.379 25510 8375 1 16 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.254 -0.202 25510 8376 1 16 . 1 1 65 65 ALA C C 65 178.759 178.759 179.543 -0.784 25510 8377 1 16 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.004 1.046 25510 8378 1 16 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.281 -0.037 25510 8379 1 16 . 1 1 65 65 ALA H H 65 8.598 8.598 8.360 0.238 25510 8380 1 16 . 1 1 66 66 ILE N N 66 118.735 118.735 118.048 0.687 25510 8381 1 16 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.771 -0.122 25510 8382 1 16 . 1 1 66 66 ILE C C 66 177.252 177.252 177.729 -0.477 25510 8383 1 16 . 1 1 66 66 ILE CA C 66 67.959 67.959 64.017 3.942 25510 8384 1 16 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.709 1.340 25510 8385 1 16 . 1 1 66 66 ILE H H 66 8.657 8.657 7.677 0.980 25510 8386 1 16 . 1 1 67 67 ASN N N 67 117.463 117.463 119.207 -1.744 25510 8387 1 16 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.847 -0.440 25510 8388 1 16 . 1 1 67 67 ASN C C 67 178.095 178.095 178.326 -0.231 25510 8389 1 16 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.190 0.379 25510 8390 1 16 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.307 0.074 25510 8391 1 16 . 1 1 67 67 ASN H H 67 7.525 7.525 7.844 -0.319 25510 8392 1 16 . 1 1 68 68 ILE N N 68 120.886 120.886 120.094 0.792 25510 8393 1 16 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.775 -0.529 25510 8394 1 16 . 1 1 68 68 ILE C C 68 177.540 177.540 177.957 -0.417 25510 8395 1 16 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.047 1.169 25510 8396 1 16 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.267 -0.852 25510 8397 1 16 . 1 1 68 68 ILE H H 68 8.170 8.170 7.470 0.700 25510 8398 1 16 . 1 1 69 69 PHE N N 69 117.836 117.836 120.193 -2.357 25510 8399 1 16 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.084 0.314 25510 8400 1 16 . 1 1 69 69 PHE C C 69 178.279 178.279 177.006 1.273 25510 8401 1 16 . 1 1 69 69 PHE CA C 69 62.837 62.837 62.079 0.758 25510 8402 1 16 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.209 -1.215 25510 8403 1 16 . 1 1 69 69 PHE H H 69 8.963 8.963 8.566 0.397 25510 8404 1 16 . 1 1 70 70 GLN N N 70 118.145 118.145 118.896 -0.751 25510 8405 1 16 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.901 0.241 25510 8406 1 16 . 1 1 70 70 GLN C C 70 180.057 180.057 178.120 1.937 25510 8407 1 16 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.843 0.943 25510 8408 1 16 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.409 -0.736 25510 8409 1 16 . 1 1 70 70 GLN H H 70 8.480 8.480 8.518 -0.038 25510 8410 1 16 . 1 1 71 71 LYS N N 71 123.368 123.368 117.553 5.815 25510 8411 1 16 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.070 -0.145 25510 8412 1 16 . 1 1 71 71 LYS C C 71 178.755 178.755 177.373 1.382 25510 8413 1 16 . 1 1 71 71 LYS CA C 71 59.502 59.502 57.565 1.937 25510 8414 1 16 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.053 -0.025 25510 8415 1 16 . 1 1 71 71 LYS H H 71 8.099 8.099 7.588 0.511 25510 8416 1 16 . 1 1 72 72 LEU N N 72 117.830 117.830 118.610 -0.780 25510 8417 1 16 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.165 -0.173 25510 8418 1 16 . 1 1 72 72 LEU C C 72 175.462 175.462 177.785 -2.323 25510 8419 1 16 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.401 -1.332 25510 8420 1 16 . 1 1 72 72 LEU CB C 72 42.155 42.155 43.153 -0.998 25510 8421 1 16 . 1 1 72 72 LEU H H 72 7.866 7.866 7.434 0.432 25510 8422 1 16 . 1 1 73 73 ASN N N 73 113.996 113.996 115.987 -1.991 25510 8423 1 16 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.514 -0.175 25510 8424 1 16 . 1 1 73 73 ASN C C 73 175.753 175.753 174.444 1.309 25510 8425 1 16 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.781 0.693 25510 8426 1 16 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.673 -3.195 25510 8427 1 16 . 1 1 73 73 ASN H H 73 8.026 8.026 7.922 0.104 25510 8428 1 16 . 1 1 74 74 TYR N N 74 122.244 122.244 118.056 4.188 25510 8429 1 16 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.792 0.485 25510 8430 1 16 . 1 1 74 74 TYR C C 74 177.548 177.548 175.041 2.507 25510 8431 1 16 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.754 -2.695 25510 8432 1 16 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.669 -3.293 25510 8433 1 16 . 1 1 74 74 TYR H H 74 8.613 8.613 7.003 1.610 25510 8434 1 16 . 1 1 75 75 MET N N 75 117.619 117.619 122.024 -4.405 25510 8435 1 16 . 1 1 75 75 MET HA H 75 4.275 4.275 3.912 0.363 25510 8436 1 16 . 1 1 75 75 MET C C 75 178.716 178.716 175.885 2.831 25510 8437 1 16 . 1 1 75 75 MET CA C 75 57.231 57.231 58.879 -1.648 25510 8438 1 16 . 1 1 75 75 MET CB C 75 30.304 30.304 32.266 -1.962 25510 8439 1 16 . 1 1 75 75 MET H H 75 7.722 7.722 7.967 -0.245 25510 8440 1 16 . 1 1 76 76 HIS N N 76 117.559 117.559 117.092 0.467 25510 8441 1 16 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.457 0.010 25510 8442 1 16 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.084 -0.087 25510 8443 1 16 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.550 -2.113 25510 8444 1 16 . 1 1 76 76 HIS H H 76 8.865 8.865 8.123 0.742 25510 8445 1 16 . 1 1 77 77 ILE N N 77 119.750 119.750 119.812 -0.062 25510 8446 1 16 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.756 -0.172 25510 8447 1 16 . 1 1 77 77 ILE C C 77 177.168 177.168 177.944 -0.776 25510 8448 1 16 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.034 0.170 25510 8449 1 16 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.788 0.012 25510 8450 1 16 . 1 1 77 77 ILE H H 77 7.356 7.356 7.592 -0.236 25510 8451 1 16 . 1 1 78 78 ALA N N 78 120.662 120.662 122.131 -1.469 25510 8452 1 16 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.902 0.028 25510 8453 1 16 . 1 1 78 78 ALA C C 78 178.936 178.936 178.678 0.258 25510 8454 1 16 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.656 0.765 25510 8455 1 16 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.253 0.734 25510 8456 1 16 . 1 1 78 78 ALA H H 78 8.054 8.054 8.669 -0.615 25510 8457 1 16 . 1 1 79 79 ASN N N 79 114.176 114.176 116.863 -2.687 25510 8458 1 16 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.692 -0.248 25510 8459 1 16 . 1 1 79 79 ASN C C 79 177.625 177.625 177.632 -0.007 25510 8460 1 16 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.932 0.119 25510 8461 1 16 . 1 1 79 79 ASN CB C 79 38.224 38.224 37.936 0.288 25510 8462 1 16 . 1 1 79 79 ASN H H 79 8.531 8.531 7.751 0.780 25510 8463 1 16 . 1 1 80 80 ALA N N 80 123.670 123.670 121.809 1.861 25510 8464 1 16 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.207 -0.079 25510 8465 1 16 . 1 1 80 80 ALA C C 80 180.727 180.727 179.401 1.326 25510 8466 1 16 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.595 0.567 25510 8467 1 16 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.529 -0.267 25510 8468 1 16 . 1 1 80 80 ALA H H 80 7.822 7.822 7.894 -0.071 25510 8469 1 16 . 1 1 81 81 LEU N N 81 120.065 120.065 119.378 0.687 25510 8470 1 16 . 1 1 81 81 LEU HA H 81 3.992 3.992 3.933 0.059 25510 8471 1 16 . 1 1 81 81 LEU C C 81 177.550 177.550 178.782 -1.232 25510 8472 1 16 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.364 0.510 25510 8473 1 16 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.854 0.485 25510 8474 1 16 . 1 1 81 81 LEU H H 81 8.526 8.526 7.595 0.931 25510 8475 1 16 . 1 1 82 82 GLU N N 82 119.844 119.844 117.844 2.000 25510 8476 1 16 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.896 0.099 25510 8477 1 16 . 1 1 82 82 GLU C C 82 178.510 178.510 178.530 -0.020 25510 8478 1 16 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.200 0.471 25510 8479 1 16 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.831 -0.027 25510 8480 1 16 . 1 1 82 82 GLU H H 82 8.429 8.429 8.284 0.145 25510 8481 1 16 . 1 1 83 83 GLU N N 83 118.585 118.585 119.829 -1.244 25510 8482 1 16 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.101 -0.047 25510 8483 1 16 . 1 1 83 83 GLU C C 83 179.516 179.516 178.985 0.531 25510 8484 1 16 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.640 1.264 25510 8485 1 16 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.696 -0.737 25510 8486 1 16 . 1 1 83 83 GLU H H 83 8.138 8.138 7.781 0.357 25510 8487 1 16 . 1 1 84 84 LYS N N 84 119.135 119.135 119.812 -0.677 25510 8488 1 16 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.091 0.029 25510 8489 1 16 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.588 1.120 25510 8490 1 16 . 1 1 84 84 LYS H H 84 8.690 8.690 7.754 0.936 25510 8491 1 16 . 1 1 85 85 LYS N N 85 118.012 118.012 117.975 0.037 25510 8492 1 16 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.056 0.401 25510 8493 1 16 . 1 1 85 85 LYS H H 85 8.109 8.109 7.588 0.521 25510 8494 1 16 . 1 1 86 86 LYS N N 86 119.839 119.839 117.173 2.666 25510 8495 1 16 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.002 -0.084 25510 8496 1 16 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.961 4.337 25510 8497 1 16 . 1 1 86 86 LYS H H 86 8.577 8.577 7.587 0.990 25510 8498 1 16 . 1 1 87 87 GLU N N 87 119.674 119.674 118.988 0.686 25510 8499 1 16 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.154 -0.163 25510 8500 1 16 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.462 0.777 25510 8501 1 16 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.625 -0.513 25510 8502 1 16 . 1 1 87 87 GLU H H 87 8.402 8.402 7.745 0.657 25510 8503 1 16 . 1 1 88 88 ALA N N 88 121.869 121.869 122.447 -0.578 25510 8504 1 16 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.822 0.260 25510 8505 1 16 . 1 1 88 88 ALA C C 88 179.999 179.999 179.606 0.393 25510 8506 1 16 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.889 0.049 25510 8507 1 16 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.484 0.933 25510 8508 1 16 . 1 1 88 88 ALA H H 88 8.043 8.043 7.543 0.500 25510 8509 1 16 . 1 1 89 89 GLU N N 89 115.931 115.931 118.381 -2.450 25510 8510 1 16 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.940 0.064 25510 8511 1 16 . 1 1 89 89 GLU C C 89 178.454 178.454 178.336 0.118 25510 8512 1 16 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.172 -0.778 25510 8513 1 16 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.037 0.107 25510 8514 1 16 . 1 1 89 89 GLU H H 89 8.058 8.058 7.796 0.262 25510 8515 1 16 . 1 1 90 90 ARG N N 90 119.607 119.607 115.716 3.891 25510 8516 1 16 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.136 0.047 25510 8517 1 16 . 1 1 90 90 ARG C C 90 177.870 177.870 178.252 -0.382 25510 8518 1 16 . 1 1 90 90 ARG CA C 90 58.265 58.265 57.993 0.272 25510 8519 1 16 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.863 0.386 25510 8520 1 16 . 1 1 90 90 ARG H H 90 7.791 7.791 7.798 -0.007 25510 8521 1 16 . 1 1 91 91 LYS N N 91 118.638 118.638 120.264 -1.626 25510 8522 1 16 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.081 0.116 25510 8523 1 16 . 1 1 91 91 LYS C C 91 177.087 177.087 179.225 -2.138 25510 8524 1 16 . 1 1 91 91 LYS CA C 91 57.606 57.606 59.000 -1.394 25510 8525 1 16 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.361 0.259 25510 8526 1 16 . 1 1 91 91 LYS H H 91 7.709 7.709 7.320 0.389 25510 8527 1 16 . 1 1 92 92 LEU N N 92 119.640 119.640 117.638 2.002 25510 8528 1 16 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.179 0.150 25510 8529 1 16 . 1 1 92 92 LEU C C 92 177.464 177.464 177.336 0.128 25510 8530 1 16 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.418 0.200 25510 8531 1 16 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.945 0.410 25510 8532 1 16 . 1 1 92 92 LEU H H 92 7.766 7.766 7.731 0.035 25510 8533 1 16 . 1 1 93 93 MET N N 93 119.121 119.121 117.759 1.362 25510 8534 1 16 . 1 1 93 93 MET HA H 93 4.570 4.570 4.383 0.187 25510 8535 1 16 . 1 1 93 93 MET C C 93 176.224 176.224 176.999 -0.775 25510 8536 1 16 . 1 1 93 93 MET CA C 93 55.648 55.648 56.776 -1.128 25510 8537 1 16 . 1 1 93 93 MET CB C 93 32.978 32.978 33.449 -0.471 25510 8538 1 16 . 1 1 93 93 MET H H 93 7.973 7.973 7.372 0.601 25510 8539 1 16 . 1 1 94 94 THR N N 94 114.125 114.125 115.120 -0.995 25510 8540 1 16 . 1 1 94 94 THR HA H 94 4.375 4.375 4.264 0.111 25510 8541 1 16 . 1 1 94 94 THR C C 94 173.550 173.550 174.020 -0.470 25510 8542 1 16 . 1 1 94 94 THR CA C 94 61.682 61.682 62.198 -0.516 25510 8543 1 16 . 1 1 94 94 THR CB C 94 70.027 70.027 69.698 0.329 25510 8544 1 16 . 1 1 94 94 THR H H 94 8.025 8.025 7.925 0.100 25510 8545 1 17 . 1 1 2 2 GLU N N 2 119.768 119.768 123.180 -3.412 25510 8546 1 17 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.094 -0.074 25510 8547 1 17 . 1 1 2 2 GLU C C 2 178.535 178.535 177.396 1.139 25510 8548 1 17 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.082 1.667 25510 8549 1 17 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.415 -0.308 25510 8550 1 17 . 1 1 2 2 GLU H H 2 8.426 8.426 8.900 -0.474 25510 8551 1 17 . 1 1 3 3 SER N N 3 113.553 113.553 114.293 -0.740 25510 8552 1 17 . 1 1 3 3 SER HA H 3 4.235 4.235 4.167 0.068 25510 8553 1 17 . 1 1 3 3 SER C C 3 176.578 176.578 176.440 0.138 25510 8554 1 17 . 1 1 3 3 SER CA C 3 61.448 61.448 60.867 0.581 25510 8555 1 17 . 1 1 3 3 SER CB C 3 62.746 62.746 62.520 0.226 25510 8556 1 17 . 1 1 3 3 SER H H 3 8.151 8.151 8.400 -0.249 25510 8557 1 17 . 1 1 4 4 GLU N N 4 122.599 122.599 123.413 -0.814 25510 8558 1 17 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.099 -0.022 25510 8559 1 17 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.654 0.762 25510 8560 1 17 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.707 -1.446 25510 8561 1 17 . 1 1 4 4 GLU H H 4 8.051 8.051 7.537 0.514 25510 8562 1 17 . 1 1 5 5 TYR N N 5 119.991 119.991 119.999 -0.008 25510 8563 1 17 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.177 0.295 25510 8564 1 17 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.332 -0.419 25510 8565 1 17 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.441 -0.488 25510 8566 1 17 . 1 1 5 5 TYR H H 5 8.339 8.339 7.651 0.688 25510 8567 1 17 . 1 1 6 6 ARG N N 6 120.010 120.010 118.440 1.570 25510 8568 1 17 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.858 -0.099 25510 8569 1 17 . 1 1 6 6 ARG C C 6 177.365 177.365 178.070 -0.705 25510 8570 1 17 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.286 1.375 25510 8571 1 17 . 1 1 6 6 ARG CB C 6 30.338 30.338 30.114 0.224 25510 8572 1 17 . 1 1 6 6 ARG H H 6 8.202 8.202 7.625 0.577 25510 8573 1 17 . 1 1 7 7 GLU N N 7 116.287 116.287 120.721 -4.434 25510 8574 1 17 . 1 1 7 7 GLU HA H 7 4.050 4.050 3.956 0.094 25510 8575 1 17 . 1 1 7 7 GLU C C 7 178.544 178.544 178.997 -0.453 25510 8576 1 17 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.402 0.012 25510 8577 1 17 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.618 -0.595 25510 8578 1 17 . 1 1 7 7 GLU H H 7 8.165 8.165 7.914 0.251 25510 8579 1 17 . 1 1 8 8 MET N N 8 116.181 116.181 116.838 -0.657 25510 8580 1 17 . 1 1 8 8 MET HA H 8 4.411 4.411 4.171 0.240 25510 8581 1 17 . 1 1 8 8 MET C C 8 177.616 177.616 178.702 -1.086 25510 8582 1 17 . 1 1 8 8 MET CA C 8 59.067 59.067 57.716 1.351 25510 8583 1 17 . 1 1 8 8 MET CB C 8 32.089 32.089 31.666 0.423 25510 8584 1 17 . 1 1 8 8 MET H H 8 8.168 8.168 8.063 0.105 25510 8585 1 17 . 1 1 9 9 LEU N N 9 122.056 122.056 118.658 3.398 25510 8586 1 17 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.885 0.096 25510 8587 1 17 . 1 1 9 9 LEU C C 9 177.211 177.211 177.888 -0.677 25510 8588 1 17 . 1 1 9 9 LEU CA C 9 58.501 58.501 56.942 1.559 25510 8589 1 17 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.611 0.687 25510 8590 1 17 . 1 1 9 9 LEU H H 9 7.883 7.883 7.306 0.577 25510 8591 1 17 . 1 1 10 10 LEU N N 10 117.952 117.952 116.664 1.288 25510 8592 1 17 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.935 0.019 25510 8593 1 17 . 1 1 10 10 LEU C C 10 176.132 176.132 179.215 -3.083 25510 8594 1 17 . 1 1 10 10 LEU CA C 10 58.392 58.392 56.426 1.966 25510 8595 1 17 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.990 1.742 25510 8596 1 17 . 1 1 10 10 LEU H H 10 8.011 8.011 7.484 0.527 25510 8597 1 17 . 1 1 11 11 LEU N N 11 116.301 116.301 117.703 -1.402 25510 8598 1 17 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.931 0.219 25510 8599 1 17 . 1 1 11 11 LEU C C 11 179.384 179.384 178.665 0.719 25510 8600 1 17 . 1 1 11 11 LEU CA C 11 57.940 57.940 58.269 -0.329 25510 8601 1 17 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.510 1.157 25510 8602 1 17 . 1 1 11 11 LEU H H 11 8.916 8.916 8.171 0.745 25510 8603 1 17 . 1 1 12 12 THR N N 12 112.429 112.429 115.778 -3.349 25510 8604 1 17 . 1 1 12 12 THR HA H 12 4.148 4.148 3.969 0.179 25510 8605 1 17 . 1 1 12 12 THR C C 12 174.055 174.055 176.177 -2.122 25510 8606 1 17 . 1 1 12 12 THR CA C 12 65.127 65.127 66.526 -1.399 25510 8607 1 17 . 1 1 12 12 THR CB C 12 68.421 68.421 68.314 0.107 25510 8608 1 17 . 1 1 12 12 THR H H 12 7.753 7.753 7.842 -0.089 25510 8609 1 17 . 1 1 13 13 GLY N N 13 124.320 124.320 108.087 16.233 25510 8610 1 17 . 1 1 13 13 GLY C C 13 173.259 173.259 176.071 -2.812 25510 8611 1 17 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.297 1.137 25510 8612 1 17 . 1 1 13 13 GLY H H 13 7.019 7.019 7.702 -0.683 25510 8613 1 17 . 1 1 14 14 LEU N N 14 121.922 121.922 122.601 -0.679 25510 8614 1 17 . 1 1 14 14 LEU HA H 14 3.916 3.916 3.947 -0.031 25510 8615 1 17 . 1 1 14 14 LEU C C 14 178.842 178.842 178.523 0.319 25510 8616 1 17 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.528 0.522 25510 8617 1 17 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.034 0.792 25510 8618 1 17 . 1 1 14 14 LEU H H 14 8.941 8.941 7.371 1.570 25510 8619 1 17 . 1 1 15 15 ASP N N 15 115.417 115.417 115.733 -0.316 25510 8620 1 17 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.555 -0.056 25510 8621 1 17 . 1 1 15 15 ASP C C 15 175.905 175.905 176.360 -0.455 25510 8622 1 17 . 1 1 15 15 ASP CA C 15 54.805 54.805 54.985 -0.180 25510 8623 1 17 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.886 -3.060 25510 8624 1 17 . 1 1 15 15 ASP H H 15 9.012 9.012 7.887 1.125 25510 8625 1 17 . 1 1 16 16 HIS N N 16 114.840 114.840 117.455 -2.615 25510 8626 1 17 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.659 0.075 25510 8627 1 17 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.687 -0.115 25510 8628 1 17 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.358 -1.136 25510 8629 1 17 . 1 1 16 16 HIS H H 16 7.807 7.807 7.626 0.181 25510 8630 1 17 . 1 1 17 17 ILE N N 17 111.347 111.347 114.608 -3.261 25510 8631 1 17 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.763 0.198 25510 8632 1 17 . 1 1 17 17 ILE C C 17 176.154 176.154 175.471 0.683 25510 8633 1 17 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.231 0.281 25510 8634 1 17 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.870 -1.196 25510 8635 1 17 . 1 1 17 17 ILE H H 17 7.041 7.041 7.247 -0.206 25510 8636 1 17 . 1 1 18 18 THR N N 18 114.804 114.804 113.947 0.857 25510 8637 1 17 . 1 1 18 18 THR HA H 18 4.384 4.384 4.296 0.088 25510 8638 1 17 . 1 1 18 18 THR C C 18 174.991 174.991 175.955 -0.964 25510 8639 1 17 . 1 1 18 18 THR CA C 18 61.063 61.063 61.475 -0.412 25510 8640 1 17 . 1 1 18 18 THR CB C 18 71.227 71.227 70.140 1.087 25510 8641 1 17 . 1 1 18 18 THR H H 18 8.672 8.672 8.525 0.147 25510 8642 1 17 . 1 1 19 19 GLU N N 19 119.385 119.385 120.277 -0.892 25510 8643 1 17 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.053 -0.021 25510 8644 1 17 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.982 -0.110 25510 8645 1 17 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.192 -0.241 25510 8646 1 17 . 1 1 19 19 GLU H H 19 8.886 8.886 8.805 0.081 25510 8647 1 17 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.096 -0.006 25510 8648 1 17 . 1 1 20 20 GLU C C 20 179.664 179.664 179.039 0.625 25510 8649 1 17 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.161 0.434 25510 8650 1 17 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.081 -0.038 25510 8651 1 17 . 1 1 21 21 GLU N N 21 120.346 120.346 119.127 1.219 25510 8652 1 17 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.209 0.061 25510 8653 1 17 . 1 1 21 21 GLU C C 21 179.079 179.079 179.057 0.022 25510 8654 1 17 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.171 0.347 25510 8655 1 17 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.261 0.624 25510 8656 1 17 . 1 1 21 21 GLU H H 21 7.611 7.611 7.727 -0.116 25510 8657 1 17 . 1 1 22 22 LEU N N 22 122.508 122.508 121.305 1.203 25510 8658 1 17 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.195 -0.063 25510 8659 1 17 . 1 1 22 22 LEU C C 22 178.698 178.698 178.486 0.212 25510 8660 1 17 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.027 -0.166 25510 8661 1 17 . 1 1 22 22 LEU CB C 22 41.720 41.720 42.073 -0.353 25510 8662 1 17 . 1 1 22 22 LEU H H 22 9.016 9.016 7.769 1.247 25510 8663 1 17 . 1 1 23 23 LYS N N 23 119.162 119.162 118.056 1.106 25510 8664 1 17 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.159 -0.173 25510 8665 1 17 . 1 1 23 23 LYS C C 23 179.624 179.624 179.609 0.015 25510 8666 1 17 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.511 1.181 25510 8667 1 17 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.142 0.252 25510 8668 1 17 . 1 1 23 23 LYS H H 23 7.777 7.777 7.756 0.021 25510 8669 1 17 . 1 1 24 24 ARG N N 24 119.502 119.502 120.686 -1.184 25510 8670 1 17 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.209 -0.008 25510 8671 1 17 . 1 1 24 24 ARG C C 24 178.260 178.260 178.528 -0.268 25510 8672 1 17 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.519 -0.287 25510 8673 1 17 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.379 -0.585 25510 8674 1 17 . 1 1 24 24 ARG H H 24 7.397 7.397 7.582 -0.185 25510 8675 1 17 . 1 1 25 25 PHE N N 25 120.567 120.567 120.659 -0.092 25510 8676 1 17 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.391 -0.523 25510 8677 1 17 . 1 1 25 25 PHE C C 25 177.302 177.302 177.437 -0.135 25510 8678 1 17 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.389 0.792 25510 8679 1 17 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.260 0.283 25510 8680 1 17 . 1 1 25 25 PHE H H 25 8.798 8.798 8.219 0.579 25510 8681 1 17 . 1 1 26 26 LYS N N 26 117.901 117.901 117.703 0.198 25510 8682 1 17 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.903 -0.229 25510 8683 1 17 . 1 1 26 26 LYS C C 26 177.118 177.118 179.151 -2.033 25510 8684 1 17 . 1 1 26 26 LYS CA C 26 60.962 60.962 58.866 2.096 25510 8685 1 17 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.901 1.138 25510 8686 1 17 . 1 1 26 26 LYS H H 26 8.841 8.841 7.997 0.844 25510 8687 1 17 . 1 1 27 27 TYR N N 27 118.480 118.480 121.757 -3.277 25510 8688 1 17 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.129 0.027 25510 8689 1 17 . 1 1 27 27 TYR C C 27 178.460 178.460 177.418 1.042 25510 8690 1 17 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.737 -0.280 25510 8691 1 17 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.657 -0.910 25510 8692 1 17 . 1 1 27 27 TYR H H 27 7.645 7.645 7.676 -0.031 25510 8693 1 17 . 1 1 28 28 PHE N N 28 117.525 117.525 116.770 0.755 25510 8694 1 17 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.055 0.191 25510 8695 1 17 . 1 1 28 28 PHE C C 28 178.827 178.827 177.359 1.468 25510 8696 1 17 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.352 -0.550 25510 8697 1 17 . 1 1 28 28 PHE CB C 28 40.077 40.077 38.963 1.114 25510 8698 1 17 . 1 1 28 28 PHE H H 28 7.741 7.741 7.988 -0.247 25510 8699 1 17 . 1 1 29 29 ALA N N 29 123.372 123.372 120.116 3.256 25510 8700 1 17 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.064 -0.091 25510 8701 1 17 . 1 1 29 29 ALA C C 29 178.340 178.340 177.873 0.467 25510 8702 1 17 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.847 1.475 25510 8703 1 17 . 1 1 29 29 ALA CB C 29 17.204 17.204 18.597 -1.393 25510 8704 1 17 . 1 1 29 29 ALA H H 29 8.840 8.840 7.707 1.133 25510 8705 1 17 . 1 1 30 30 LEU N N 30 117.039 117.039 118.892 -1.853 25510 8706 1 17 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.799 -0.760 25510 8707 1 17 . 1 1 30 30 LEU C C 30 178.373 178.373 176.712 1.661 25510 8708 1 17 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.932 4.412 25510 8709 1 17 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.775 1.152 25510 8710 1 17 . 1 1 30 30 LEU H H 30 7.443 7.443 7.423 0.020 25510 8711 1 17 . 1 1 31 31 THR N N 31 125.874 125.874 115.162 10.712 25510 8712 1 17 . 1 1 31 31 THR HA H 31 4.228 4.228 4.059 0.169 25510 8713 1 17 . 1 1 31 31 THR C C 31 176.282 176.282 175.407 0.875 25510 8714 1 17 . 1 1 31 31 THR CA C 31 63.328 63.328 63.390 -0.062 25510 8715 1 17 . 1 1 31 31 THR CB C 31 69.170 69.170 69.635 -0.465 25510 8716 1 17 . 1 1 31 31 THR H H 31 7.014 7.014 7.914 -0.900 25510 8717 1 17 . 1 1 32 32 GLU N N 32 120.558 120.558 120.010 0.548 25510 8718 1 17 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.203 -0.051 25510 8719 1 17 . 1 1 32 32 GLU C C 32 175.968 175.968 176.809 -0.841 25510 8720 1 17 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.442 0.339 25510 8721 1 17 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.094 1.967 25510 8722 1 17 . 1 1 32 32 GLU H H 32 7.808 7.808 8.385 -0.577 25510 8723 1 17 . 1 1 33 33 PHE N N 33 114.045 114.045 117.166 -3.121 25510 8724 1 17 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.376 0.094 25510 8725 1 17 . 1 1 33 33 PHE CA C 33 57.498 57.498 59.231 -1.733 25510 8726 1 17 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.869 1.674 25510 8727 1 17 . 1 1 33 33 PHE H H 33 8.390 8.390 7.707 0.683 25510 8728 1 17 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.875 0.395 25510 8729 1 17 . 1 1 34 34 GLN C C 34 174.516 174.516 174.977 -0.461 25510 8730 1 17 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.997 0.157 25510 8731 1 17 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.524 -0.203 25510 8732 1 17 . 1 1 34 34 GLN H H 34 7.968 7.968 8.294 -0.326 25510 8733 1 17 . 1 1 35 35 ILE N N 35 119.653 119.653 118.694 0.959 25510 8734 1 17 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.877 0.494 25510 8735 1 17 . 1 1 35 35 ILE C C 35 173.592 173.592 176.512 -2.920 25510 8736 1 17 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.881 -2.471 25510 8737 1 17 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.054 3.703 25510 8738 1 17 . 1 1 35 35 ILE H H 35 7.455 7.455 7.823 -0.368 25510 8739 1 17 . 1 1 36 36 ALA N N 36 126.668 126.668 129.557 -2.889 25510 8740 1 17 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.266 0.002 25510 8741 1 17 . 1 1 36 36 ALA C C 36 178.784 178.784 178.436 0.348 25510 8742 1 17 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.472 -0.290 25510 8743 1 17 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.864 -0.599 25510 8744 1 17 . 1 1 36 36 ALA H H 36 8.238 8.238 8.499 -0.261 25510 8745 1 17 . 1 1 37 37 ARG N N 37 123.068 123.068 122.119 0.949 25510 8746 1 17 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.018 -0.202 25510 8747 1 17 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.507 1.331 25510 8748 1 17 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.819 0.113 25510 8749 1 17 . 1 1 37 37 ARG H H 37 8.820 8.820 8.838 -0.018 25510 8750 1 17 . 1 1 38 38 SER N N 38 112.348 112.348 112.848 -0.500 25510 8751 1 17 . 1 1 38 38 SER HA H 38 4.178 4.178 4.306 -0.128 25510 8752 1 17 . 1 1 38 38 SER C C 38 178.315 178.315 176.201 2.114 25510 8753 1 17 . 1 1 38 38 SER CA C 38 60.772 60.772 61.454 -0.682 25510 8754 1 17 . 1 1 38 38 SER CB C 38 62.061 62.061 62.002 0.059 25510 8755 1 17 . 1 1 38 38 SER H H 38 8.517 8.517 8.497 0.020 25510 8756 1 17 . 1 1 39 39 THR N N 39 117.311 117.311 119.520 -2.209 25510 8757 1 17 . 1 1 39 39 THR HA H 39 4.025 4.025 4.096 -0.071 25510 8758 1 17 . 1 1 39 39 THR C C 39 175.203 175.203 175.332 -0.129 25510 8759 1 17 . 1 1 39 39 THR CA C 39 64.904 64.904 65.224 -0.320 25510 8760 1 17 . 1 1 39 39 THR CB C 39 68.726 68.726 68.282 0.444 25510 8761 1 17 . 1 1 39 39 THR H H 39 7.231 7.231 7.479 -0.248 25510 8762 1 17 . 1 1 40 40 LEU N N 40 118.713 118.713 120.288 -1.575 25510 8763 1 17 . 1 1 40 40 LEU HA H 40 4.031 4.031 4.086 -0.055 25510 8764 1 17 . 1 1 40 40 LEU C C 40 177.743 177.743 178.056 -0.313 25510 8765 1 17 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.454 -0.391 25510 8766 1 17 . 1 1 40 40 LEU CB C 40 42.294 42.294 40.735 1.559 25510 8767 1 17 . 1 1 40 40 LEU H H 40 7.552 7.552 7.601 -0.049 25510 8768 1 17 . 1 1 41 41 ASP N N 41 119.468 119.468 119.662 -0.194 25510 8769 1 17 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.388 0.109 25510 8770 1 17 . 1 1 41 41 ASP C C 41 177.111 177.111 177.616 -0.505 25510 8771 1 17 . 1 1 41 41 ASP CA C 41 56.594 56.594 57.010 -0.416 25510 8772 1 17 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.462 -1.508 25510 8773 1 17 . 1 1 41 41 ASP H H 41 8.153 8.153 8.019 0.134 25510 8774 1 17 . 1 1 42 42 VAL N N 42 111.960 111.960 111.485 0.475 25510 8775 1 17 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.647 -0.319 25510 8776 1 17 . 1 1 42 42 VAL C C 42 175.994 175.994 176.065 -0.071 25510 8777 1 17 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.411 0.331 25510 8778 1 17 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.753 0.988 25510 8779 1 17 . 1 1 42 42 VAL H H 42 7.293 7.293 7.458 -0.165 25510 8780 1 17 . 1 1 43 43 ALA N N 43 124.575 124.575 125.274 -0.699 25510 8781 1 17 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.883 0.443 25510 8782 1 17 . 1 1 43 43 ALA C C 43 177.972 177.972 179.003 -1.031 25510 8783 1 17 . 1 1 43 43 ALA CA C 43 53.078 53.078 56.080 -3.002 25510 8784 1 17 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.571 0.880 25510 8785 1 17 . 1 1 43 43 ALA H H 43 7.626 7.626 7.679 -0.053 25510 8786 1 17 . 1 1 44 44 ASP N N 44 119.810 119.810 117.307 2.503 25510 8787 1 17 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.288 -0.228 25510 8788 1 17 . 1 1 44 44 ASP C C 44 179.346 179.346 178.034 1.312 25510 8789 1 17 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.804 1.520 25510 8790 1 17 . 1 1 44 44 ASP CB C 44 31.932 31.932 39.882 -7.950 25510 8791 1 17 . 1 1 44 44 ASP H H 44 8.002 8.002 8.832 -0.830 25510 8792 1 17 . 1 1 45 45 ARG N N 45 123.564 123.564 119.370 4.194 25510 8793 1 17 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.281 -0.512 25510 8794 1 17 . 1 1 45 45 ARG C C 45 177.492 177.492 178.542 -1.050 25510 8795 1 17 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.480 2.329 25510 8796 1 17 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.756 2.258 25510 8797 1 17 . 1 1 45 45 ARG H H 45 8.611 8.611 7.592 1.019 25510 8798 1 17 . 1 1 46 46 THR N N 46 118.315 118.315 111.609 6.706 25510 8799 1 17 . 1 1 46 46 THR HA H 46 4.051 4.051 4.303 -0.252 25510 8800 1 17 . 1 1 46 46 THR C C 46 179.947 179.947 176.638 3.309 25510 8801 1 17 . 1 1 46 46 THR CA C 46 59.605 59.605 65.111 -5.506 25510 8802 1 17 . 1 1 46 46 THR CB C 46 32.375 32.375 69.067 -36.693 25510 8803 1 17 . 1 1 46 46 THR H H 46 8.182 8.182 7.798 0.384 25510 8804 1 17 . 1 1 47 47 GLU N N 47 118.691 118.691 122.077 -3.386 25510 8805 1 17 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.206 -0.184 25510 8806 1 17 . 1 1 47 47 GLU C C 47 179.758 179.758 178.887 0.871 25510 8807 1 17 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.241 -0.042 25510 8808 1 17 . 1 1 47 47 GLU H H 47 8.117 8.117 7.655 0.462 25510 8809 1 17 . 1 1 48 48 LEU N N 48 120.020 120.020 121.358 -1.338 25510 8810 1 17 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.854 -0.095 25510 8811 1 17 . 1 1 48 48 LEU C C 48 177.474 177.474 178.639 -1.165 25510 8812 1 17 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.193 0.381 25510 8813 1 17 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.698 -0.096 25510 8814 1 17 . 1 1 48 48 LEU H H 48 8.355 8.355 8.312 0.043 25510 8815 1 17 . 1 1 49 49 ALA N N 49 120.164 120.164 120.412 -0.248 25510 8816 1 17 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.838 -0.149 25510 8817 1 17 . 1 1 49 49 ALA C C 49 178.552 178.552 179.267 -0.715 25510 8818 1 17 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.369 0.760 25510 8819 1 17 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.806 -0.170 25510 8820 1 17 . 1 1 49 49 ALA H H 49 8.224 8.224 7.713 0.511 25510 8821 1 17 . 1 1 50 50 ASP N N 50 115.824 115.824 118.389 -2.565 25510 8822 1 17 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.351 0.067 25510 8823 1 17 . 1 1 50 50 ASP C C 50 179.108 179.108 178.278 0.830 25510 8824 1 17 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.096 0.825 25510 8825 1 17 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.039 -1.276 25510 8826 1 17 . 1 1 50 50 ASP H H 50 8.041 8.041 7.617 0.424 25510 8827 1 17 . 1 1 51 51 HIS N N 51 117.866 117.866 119.839 -1.973 25510 8828 1 17 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.218 0.247 25510 8829 1 17 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.588 -1.098 25510 8830 1 17 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.222 -2.157 25510 8831 1 17 . 1 1 51 51 HIS H H 51 8.541 8.541 8.195 0.346 25510 8832 1 17 . 1 1 52 52 LEU N N 52 120.279 120.279 118.857 1.422 25510 8833 1 17 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.827 -0.201 25510 8834 1 17 . 1 1 52 52 LEU C C 52 178.488 178.488 179.044 -0.556 25510 8835 1 17 . 1 1 52 52 LEU CA C 52 58.380 58.380 58.032 0.348 25510 8836 1 17 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.863 -1.432 25510 8837 1 17 . 1 1 52 52 LEU H H 52 8.529 8.529 8.299 0.230 25510 8838 1 17 . 1 1 53 53 ILE N N 53 119.478 119.478 119.650 -0.172 25510 8839 1 17 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.956 -0.517 25510 8840 1 17 . 1 1 53 53 ILE C C 53 178.798 178.798 178.340 0.458 25510 8841 1 17 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.396 2.589 25510 8842 1 17 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.156 1.497 25510 8843 1 17 . 1 1 53 53 ILE H H 53 8.069 8.069 7.641 0.428 25510 8844 1 17 . 1 1 54 54 GLN N N 54 119.904 119.904 117.853 2.051 25510 8845 1 17 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.029 -0.009 25510 8846 1 17 . 1 1 54 54 GLN C C 54 177.668 177.668 178.040 -0.372 25510 8847 1 17 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.074 0.586 25510 8848 1 17 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.088 0.401 25510 8849 1 17 . 1 1 54 54 GLN H H 54 8.382 8.382 7.804 0.578 25510 8850 1 17 . 1 1 55 55 SER N N 55 110.647 110.647 114.929 -4.282 25510 8851 1 17 . 1 1 55 55 SER HA H 55 4.353 4.353 4.490 -0.137 25510 8852 1 17 . 1 1 55 55 SER C C 55 175.910 175.910 175.362 0.548 25510 8853 1 17 . 1 1 55 55 SER CA C 55 61.019 61.019 60.956 0.063 25510 8854 1 17 . 1 1 55 55 SER CB C 55 63.997 63.997 63.520 0.477 25510 8855 1 17 . 1 1 55 55 SER H H 55 7.623 7.623 7.792 -0.169 25510 8856 1 17 . 1 1 56 56 ALA N N 56 118.590 118.590 119.271 -0.681 25510 8857 1 17 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.484 0.241 25510 8858 1 17 . 1 1 56 56 ALA C C 56 178.537 178.537 176.851 1.686 25510 8859 1 17 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.308 0.404 25510 8860 1 17 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.861 0.901 25510 8861 1 17 . 1 1 56 56 ALA H H 56 7.908 7.908 7.819 0.089 25510 8862 1 17 . 1 1 57 57 GLY N N 57 109.060 109.060 105.828 3.232 25510 8863 1 17 . 1 1 57 57 GLY C C 57 174.410 174.410 173.584 0.826 25510 8864 1 17 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.980 -0.749 25510 8865 1 17 . 1 1 57 57 GLY H H 57 7.996 7.996 7.663 0.333 25510 8866 1 17 . 1 1 58 58 ALA N N 58 123.460 123.460 123.131 0.329 25510 8867 1 17 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.157 -0.151 25510 8868 1 17 . 1 1 58 58 ALA C C 58 177.285 177.285 179.428 -2.143 25510 8869 1 17 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.112 1.969 25510 8870 1 17 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.991 0.215 25510 8871 1 17 . 1 1 58 58 ALA H H 58 8.710 8.710 8.418 0.292 25510 8872 1 17 . 1 1 59 59 ALA N N 59 118.918 118.918 120.568 -1.650 25510 8873 1 17 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.369 -1.422 25510 8874 1 17 . 1 1 59 59 ALA C C 59 181.017 181.017 179.816 1.201 25510 8875 1 17 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.786 0.607 25510 8876 1 17 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.035 -0.004 25510 8877 1 17 . 1 1 59 59 ALA H H 59 8.272 8.272 8.484 -0.212 25510 8878 1 17 . 1 1 60 60 SER N N 60 112.905 112.905 114.926 -2.021 25510 8879 1 17 . 1 1 60 60 SER HA H 60 4.130 4.130 4.222 -0.092 25510 8880 1 17 . 1 1 60 60 SER C C 60 176.246 176.246 176.875 -0.629 25510 8881 1 17 . 1 1 60 60 SER CA C 60 60.601 60.601 61.831 -1.230 25510 8882 1 17 . 1 1 60 60 SER CB C 60 62.796 62.796 62.684 0.112 25510 8883 1 17 . 1 1 60 60 SER H H 60 8.218 8.218 8.423 -0.205 25510 8884 1 17 . 1 1 61 61 ALA N N 61 121.207 121.207 123.789 -2.582 25510 8885 1 17 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.115 0.041 25510 8886 1 17 . 1 1 61 61 ALA C C 61 179.639 179.639 179.984 -0.345 25510 8887 1 17 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.923 0.732 25510 8888 1 17 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.430 0.119 25510 8889 1 17 . 1 1 61 61 ALA H H 61 8.583 8.583 7.547 1.036 25510 8890 1 17 . 1 1 62 62 VAL N N 62 116.024 116.024 117.413 -1.389 25510 8891 1 17 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.641 0.032 25510 8892 1 17 . 1 1 62 62 VAL C C 62 177.567 177.567 177.967 -0.400 25510 8893 1 17 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.040 1.863 25510 8894 1 17 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.893 -0.340 25510 8895 1 17 . 1 1 62 62 VAL H H 62 7.517 7.517 7.640 -0.123 25510 8896 1 17 . 1 1 63 63 THR N N 63 117.797 117.797 114.058 3.739 25510 8897 1 17 . 1 1 63 63 THR HA H 63 4.318 4.318 4.236 0.082 25510 8898 1 17 . 1 1 63 63 THR C C 63 176.800 176.800 176.719 0.081 25510 8899 1 17 . 1 1 63 63 THR CA C 63 68.590 68.590 65.463 3.127 25510 8900 1 17 . 1 1 63 63 THR CB C 63 67.818 67.818 68.871 -1.053 25510 8901 1 17 . 1 1 63 63 THR H H 63 8.007 8.007 8.128 -0.121 25510 8902 1 17 . 1 1 64 64 LYS N N 64 121.300 121.300 122.106 -0.806 25510 8903 1 17 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.048 -0.151 25510 8904 1 17 . 1 1 64 64 LYS C C 64 178.721 178.721 178.497 0.224 25510 8905 1 17 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.945 0.997 25510 8906 1 17 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.214 3.024 25510 8907 1 17 . 1 1 64 64 LYS H H 64 8.771 8.771 8.119 0.652 25510 8908 1 17 . 1 1 65 65 ALA N N 65 121.115 121.115 121.951 -0.836 25510 8909 1 17 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.239 -0.187 25510 8910 1 17 . 1 1 65 65 ALA C C 65 178.759 178.759 179.719 -0.960 25510 8911 1 17 . 1 1 65 65 ALA CA C 65 56.050 56.050 54.947 1.103 25510 8912 1 17 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.204 0.040 25510 8913 1 17 . 1 1 65 65 ALA H H 65 8.598 8.598 7.821 0.777 25510 8914 1 17 . 1 1 66 66 ILE N N 66 118.735 118.735 118.229 0.506 25510 8915 1 17 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.830 -0.181 25510 8916 1 17 . 1 1 66 66 ILE C C 66 177.252 177.252 177.679 -0.427 25510 8917 1 17 . 1 1 66 66 ILE CA C 66 67.959 67.959 64.132 3.827 25510 8918 1 17 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.892 1.157 25510 8919 1 17 . 1 1 66 66 ILE H H 66 8.657 8.657 7.846 0.811 25510 8920 1 17 . 1 1 67 67 ASN N N 67 117.463 117.463 118.769 -1.306 25510 8921 1 17 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.681 -0.274 25510 8922 1 17 . 1 1 67 67 ASN C C 67 178.095 178.095 177.854 0.241 25510 8923 1 17 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.723 -0.154 25510 8924 1 17 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.630 -0.249 25510 8925 1 17 . 1 1 67 67 ASN H H 67 7.525 7.525 7.673 -0.148 25510 8926 1 17 . 1 1 68 68 ILE N N 68 120.886 120.886 120.357 0.529 25510 8927 1 17 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.768 -0.522 25510 8928 1 17 . 1 1 68 68 ILE C C 68 177.540 177.540 177.876 -0.336 25510 8929 1 17 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.986 1.230 25510 8930 1 17 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.190 -0.774 25510 8931 1 17 . 1 1 68 68 ILE H H 68 8.170 8.170 7.713 0.457 25510 8932 1 17 . 1 1 69 69 PHE N N 69 117.836 117.836 119.725 -1.889 25510 8933 1 17 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.373 0.025 25510 8934 1 17 . 1 1 69 69 PHE C C 69 178.279 178.279 177.529 0.750 25510 8935 1 17 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.007 1.831 25510 8936 1 17 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.548 -1.554 25510 8937 1 17 . 1 1 69 69 PHE H H 69 8.963 8.963 8.389 0.574 25510 8938 1 17 . 1 1 70 70 GLN N N 70 118.145 118.145 118.947 -0.802 25510 8939 1 17 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.824 0.318 25510 8940 1 17 . 1 1 70 70 GLN C C 70 180.057 180.057 177.988 2.069 25510 8941 1 17 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.701 1.085 25510 8942 1 17 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.390 -0.717 25510 8943 1 17 . 1 1 70 70 GLN H H 70 8.480 8.480 8.432 0.048 25510 8944 1 17 . 1 1 71 71 LYS N N 71 123.368 123.368 117.858 5.510 25510 8945 1 17 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.028 -0.103 25510 8946 1 17 . 1 1 71 71 LYS C C 71 178.755 178.755 177.490 1.265 25510 8947 1 17 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.355 1.147 25510 8948 1 17 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.127 -0.099 25510 8949 1 17 . 1 1 71 71 LYS H H 71 8.099 8.099 7.660 0.439 25510 8950 1 17 . 1 1 72 72 LEU N N 72 117.830 117.830 117.459 0.371 25510 8951 1 17 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.204 -0.212 25510 8952 1 17 . 1 1 72 72 LEU C C 72 175.462 175.462 176.563 -1.101 25510 8953 1 17 . 1 1 72 72 LEU CA C 72 55.069 55.069 55.564 -0.495 25510 8954 1 17 . 1 1 72 72 LEU CB C 72 42.155 42.155 43.005 -0.850 25510 8955 1 17 . 1 1 72 72 LEU H H 72 7.866 7.866 7.406 0.460 25510 8956 1 17 . 1 1 73 73 ASN N N 73 113.996 113.996 113.625 0.371 25510 8957 1 17 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.533 -0.194 25510 8958 1 17 . 1 1 73 73 ASN C C 73 175.753 175.753 174.845 0.908 25510 8959 1 17 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.691 0.783 25510 8960 1 17 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.030 -3.551 25510 8961 1 17 . 1 1 73 73 ASN H H 73 8.026 8.026 7.679 0.347 25510 8962 1 17 . 1 1 74 74 TYR N N 74 122.244 122.244 119.425 2.819 25510 8963 1 17 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.875 0.402 25510 8964 1 17 . 1 1 74 74 TYR C C 74 177.548 177.548 175.192 2.356 25510 8965 1 17 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.723 -2.664 25510 8966 1 17 . 1 1 74 74 TYR CB C 74 35.376 35.376 37.992 -2.616 25510 8967 1 17 . 1 1 74 74 TYR H H 74 8.613 8.613 7.292 1.321 25510 8968 1 17 . 1 1 75 75 MET N N 75 117.619 117.619 121.224 -3.605 25510 8969 1 17 . 1 1 75 75 MET HA H 75 4.275 4.275 4.002 0.273 25510 8970 1 17 . 1 1 75 75 MET C C 75 178.716 178.716 175.965 2.751 25510 8971 1 17 . 1 1 75 75 MET CA C 75 57.231 57.231 59.165 -1.934 25510 8972 1 17 . 1 1 75 75 MET CB C 75 30.304 30.304 32.023 -1.719 25510 8973 1 17 . 1 1 75 75 MET H H 75 7.722 7.722 7.879 -0.157 25510 8974 1 17 . 1 1 76 76 HIS N N 76 117.559 117.559 119.205 -1.646 25510 8975 1 17 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.468 -0.001 25510 8976 1 17 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.388 -0.391 25510 8977 1 17 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.902 -2.465 25510 8978 1 17 . 1 1 76 76 HIS H H 76 8.865 8.865 8.185 0.680 25510 8979 1 17 . 1 1 77 77 ILE N N 77 119.750 119.750 119.222 0.528 25510 8980 1 17 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.745 -0.161 25510 8981 1 17 . 1 1 77 77 ILE C C 77 177.168 177.168 177.981 -0.813 25510 8982 1 17 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.082 0.122 25510 8983 1 17 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.811 -0.011 25510 8984 1 17 . 1 1 77 77 ILE H H 77 7.356 7.356 7.568 -0.212 25510 8985 1 17 . 1 1 78 78 ALA N N 78 120.662 120.662 121.808 -1.146 25510 8986 1 17 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.916 0.015 25510 8987 1 17 . 1 1 78 78 ALA C C 78 178.936 178.936 178.685 0.251 25510 8988 1 17 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.593 0.828 25510 8989 1 17 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.195 0.792 25510 8990 1 17 . 1 1 78 78 ALA H H 78 8.054 8.054 8.581 -0.527 25510 8991 1 17 . 1 1 79 79 ASN N N 79 114.176 114.176 116.918 -2.742 25510 8992 1 17 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.659 -0.215 25510 8993 1 17 . 1 1 79 79 ASN C C 79 177.625 177.625 177.560 0.065 25510 8994 1 17 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.873 0.178 25510 8995 1 17 . 1 1 79 79 ASN CB C 79 38.224 38.224 37.850 0.374 25510 8996 1 17 . 1 1 79 79 ASN H H 79 8.531 8.531 7.659 0.872 25510 8997 1 17 . 1 1 80 80 ALA N N 80 123.670 123.670 121.645 2.025 25510 8998 1 17 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.494 -0.366 25510 8999 1 17 . 1 1 80 80 ALA C C 80 180.727 180.727 179.330 1.397 25510 9000 1 17 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.284 0.878 25510 9001 1 17 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.841 -0.579 25510 9002 1 17 . 1 1 80 80 ALA H H 80 7.822 7.822 7.755 0.067 25510 9003 1 17 . 1 1 81 81 LEU N N 81 120.065 120.065 119.547 0.518 25510 9004 1 17 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.004 -0.012 25510 9005 1 17 . 1 1 81 81 LEU C C 81 177.550 177.550 179.205 -1.655 25510 9006 1 17 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.959 -0.086 25510 9007 1 17 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.771 0.568 25510 9008 1 17 . 1 1 81 81 LEU H H 81 8.526 8.526 7.571 0.955 25510 9009 1 17 . 1 1 82 82 GLU N N 82 119.844 119.844 119.286 0.558 25510 9010 1 17 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.976 0.019 25510 9011 1 17 . 1 1 82 82 GLU C C 82 178.510 178.510 178.949 -0.439 25510 9012 1 17 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.305 0.366 25510 9013 1 17 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.747 0.057 25510 9014 1 17 . 1 1 82 82 GLU H H 82 8.429 8.429 8.633 -0.204 25510 9015 1 17 . 1 1 83 83 GLU N N 83 118.585 118.585 120.214 -1.629 25510 9016 1 17 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.106 -0.052 25510 9017 1 17 . 1 1 83 83 GLU C C 83 179.516 179.516 178.681 0.835 25510 9018 1 17 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.601 1.303 25510 9019 1 17 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.232 -0.273 25510 9020 1 17 . 1 1 83 83 GLU H H 83 8.138 8.138 7.882 0.256 25510 9021 1 17 . 1 1 84 84 LYS N N 84 119.135 119.135 119.793 -0.658 25510 9022 1 17 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.066 0.054 25510 9023 1 17 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.981 0.727 25510 9024 1 17 . 1 1 84 84 LYS H H 84 8.690 8.690 7.867 0.823 25510 9025 1 17 . 1 1 85 85 LYS N N 85 118.012 118.012 119.287 -1.275 25510 9026 1 17 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.163 0.294 25510 9027 1 17 . 1 1 85 85 LYS H H 85 8.109 8.109 7.625 0.484 25510 9028 1 17 . 1 1 86 86 LYS N N 86 119.839 119.839 118.429 1.410 25510 9029 1 17 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.147 -0.229 25510 9030 1 17 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.492 3.806 25510 9031 1 17 . 1 1 86 86 LYS H H 86 8.577 8.577 7.616 0.961 25510 9032 1 17 . 1 1 87 87 GLU N N 87 119.674 119.674 118.508 1.166 25510 9033 1 17 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.137 -0.146 25510 9034 1 17 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.519 0.720 25510 9035 1 17 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.685 -0.573 25510 9036 1 17 . 1 1 87 87 GLU H H 87 8.402 8.402 7.642 0.760 25510 9037 1 17 . 1 1 88 88 ALA N N 88 121.869 121.869 122.137 -0.268 25510 9038 1 17 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.802 0.280 25510 9039 1 17 . 1 1 88 88 ALA C C 88 179.999 179.999 179.404 0.595 25510 9040 1 17 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.705 0.234 25510 9041 1 17 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.511 0.906 25510 9042 1 17 . 1 1 88 88 ALA H H 88 8.043 8.043 7.517 0.526 25510 9043 1 17 . 1 1 89 89 GLU N N 89 115.931 115.931 117.968 -2.037 25510 9044 1 17 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.867 0.137 25510 9045 1 17 . 1 1 89 89 GLU C C 89 178.454 178.454 179.596 -1.142 25510 9046 1 17 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.386 -0.992 25510 9047 1 17 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.282 -0.138 25510 9048 1 17 . 1 1 89 89 GLU H H 89 8.058 8.058 7.894 0.164 25510 9049 1 17 . 1 1 90 90 ARG N N 90 119.607 119.607 117.948 1.659 25510 9050 1 17 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.205 -0.022 25510 9051 1 17 . 1 1 90 90 ARG C C 90 177.870 177.870 178.796 -0.926 25510 9052 1 17 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.112 0.153 25510 9053 1 17 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.739 0.510 25510 9054 1 17 . 1 1 90 90 ARG H H 90 7.791 7.791 7.805 -0.014 25510 9055 1 17 . 1 1 91 91 LYS N N 91 118.638 118.638 120.900 -2.262 25510 9056 1 17 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.132 0.065 25510 9057 1 17 . 1 1 91 91 LYS C C 91 177.087 177.087 178.011 -0.924 25510 9058 1 17 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.757 -1.151 25510 9059 1 17 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.252 0.367 25510 9060 1 17 . 1 1 91 91 LYS H H 91 7.709 7.709 7.416 0.293 25510 9061 1 17 . 1 1 92 92 LEU N N 92 119.640 119.640 118.074 1.566 25510 9062 1 17 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.409 -0.080 25510 9063 1 17 . 1 1 92 92 LEU C C 92 177.464 177.464 177.296 0.168 25510 9064 1 17 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.267 0.351 25510 9065 1 17 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.850 0.505 25510 9066 1 17 . 1 1 92 92 LEU H H 92 7.766 7.766 7.684 0.082 25510 9067 1 17 . 1 1 93 93 MET N N 93 119.121 119.121 119.224 -0.103 25510 9068 1 17 . 1 1 93 93 MET HA H 93 4.570 4.570 4.364 0.206 25510 9069 1 17 . 1 1 93 93 MET C C 93 176.224 176.224 176.279 -0.055 25510 9070 1 17 . 1 1 93 93 MET CA C 93 55.648 55.648 57.096 -1.448 25510 9071 1 17 . 1 1 93 93 MET CB C 93 32.978 32.978 33.706 -0.728 25510 9072 1 17 . 1 1 93 93 MET H H 93 7.973 7.973 7.503 0.470 25510 9073 1 17 . 1 1 94 94 THR N N 94 114.125 114.125 113.014 1.111 25510 9074 1 17 . 1 1 94 94 THR HA H 94 4.375 4.375 4.517 -0.142 25510 9075 1 17 . 1 1 94 94 THR C C 94 173.550 173.550 173.373 0.177 25510 9076 1 17 . 1 1 94 94 THR CA C 94 61.682 61.682 61.047 0.635 25510 9077 1 17 . 1 1 94 94 THR CB C 94 70.027 70.027 70.814 -0.787 25510 9078 1 17 . 1 1 94 94 THR H H 94 8.025 8.025 7.618 0.407 25510 9079 1 18 . 1 1 2 2 GLU N N 2 119.768 119.768 120.611 -0.843 25510 9080 1 18 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.114 -0.094 25510 9081 1 18 . 1 1 2 2 GLU C C 2 178.535 178.535 177.555 0.980 25510 9082 1 18 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.178 1.571 25510 9083 1 18 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.564 -0.457 25510 9084 1 18 . 1 1 2 2 GLU H H 2 8.426 8.426 8.923 -0.497 25510 9085 1 18 . 1 1 3 3 SER N N 3 113.553 113.553 115.745 -2.192 25510 9086 1 18 . 1 1 3 3 SER HA H 3 4.235 4.235 4.197 0.038 25510 9087 1 18 . 1 1 3 3 SER C C 3 176.578 176.578 176.616 -0.038 25510 9088 1 18 . 1 1 3 3 SER CA C 3 61.448 61.448 61.739 -0.291 25510 9089 1 18 . 1 1 3 3 SER CB C 3 62.746 62.746 62.506 0.240 25510 9090 1 18 . 1 1 3 3 SER H H 3 8.151 8.151 8.509 -0.358 25510 9091 1 18 . 1 1 4 4 GLU N N 4 122.599 122.599 121.621 0.978 25510 9092 1 18 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.159 -0.082 25510 9093 1 18 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.762 0.654 25510 9094 1 18 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.239 -0.978 25510 9095 1 18 . 1 1 4 4 GLU H H 4 8.051 8.051 7.825 0.226 25510 9096 1 18 . 1 1 5 5 TYR N N 5 119.991 119.991 119.833 0.158 25510 9097 1 18 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.290 0.182 25510 9098 1 18 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.064 -0.151 25510 9099 1 18 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.639 -0.686 25510 9100 1 18 . 1 1 5 5 TYR H H 5 8.339 8.339 7.391 0.948 25510 9101 1 18 . 1 1 6 6 ARG N N 6 120.010 120.010 117.969 2.041 25510 9102 1 18 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.883 -0.124 25510 9103 1 18 . 1 1 6 6 ARG C C 6 177.365 177.365 178.099 -0.734 25510 9104 1 18 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.172 1.489 25510 9105 1 18 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.761 0.577 25510 9106 1 18 . 1 1 6 6 ARG H H 6 8.202 8.202 8.279 -0.077 25510 9107 1 18 . 1 1 7 7 GLU N N 7 116.287 116.287 120.701 -4.414 25510 9108 1 18 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.043 0.007 25510 9109 1 18 . 1 1 7 7 GLU C C 7 178.544 178.544 178.297 0.247 25510 9110 1 18 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.098 0.316 25510 9111 1 18 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.701 -0.678 25510 9112 1 18 . 1 1 7 7 GLU H H 7 8.165 8.165 8.157 0.008 25510 9113 1 18 . 1 1 8 8 MET N N 8 116.181 116.181 119.581 -3.400 25510 9114 1 18 . 1 1 8 8 MET HA H 8 4.411 4.411 4.172 0.239 25510 9115 1 18 . 1 1 8 8 MET C C 8 177.616 177.616 177.633 -0.017 25510 9116 1 18 . 1 1 8 8 MET CA C 8 59.067 59.067 57.503 1.564 25510 9117 1 18 . 1 1 8 8 MET CB C 8 32.089 32.089 32.462 -0.372 25510 9118 1 18 . 1 1 8 8 MET H H 8 8.168 8.168 7.640 0.528 25510 9119 1 18 . 1 1 9 9 LEU N N 9 122.056 122.056 118.924 3.132 25510 9120 1 18 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.843 0.138 25510 9121 1 18 . 1 1 9 9 LEU C C 9 177.211 177.211 177.773 -0.562 25510 9122 1 18 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.375 1.126 25510 9123 1 18 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.601 0.697 25510 9124 1 18 . 1 1 9 9 LEU H H 9 7.883 7.883 7.297 0.586 25510 9125 1 18 . 1 1 10 10 LEU N N 10 117.952 117.952 117.461 0.491 25510 9126 1 18 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.921 0.033 25510 9127 1 18 . 1 1 10 10 LEU C C 10 176.132 176.132 179.053 -2.921 25510 9128 1 18 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.170 1.222 25510 9129 1 18 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.280 1.452 25510 9130 1 18 . 1 1 10 10 LEU H H 10 8.011 8.011 7.247 0.764 25510 9131 1 18 . 1 1 11 11 LEU N N 11 116.301 116.301 119.879 -3.578 25510 9132 1 18 . 1 1 11 11 LEU HA H 11 4.150 4.150 3.950 0.200 25510 9133 1 18 . 1 1 11 11 LEU C C 11 179.384 179.384 178.562 0.822 25510 9134 1 18 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.992 -0.052 25510 9135 1 18 . 1 1 11 11 LEU CB C 11 41.667 41.667 41.551 0.116 25510 9136 1 18 . 1 1 11 11 LEU H H 11 8.916 8.916 7.867 1.049 25510 9137 1 18 . 1 1 12 12 THR N N 12 112.429 112.429 115.891 -3.462 25510 9138 1 18 . 1 1 12 12 THR HA H 12 4.148 4.148 3.848 0.300 25510 9139 1 18 . 1 1 12 12 THR C C 12 174.055 174.055 175.596 -1.541 25510 9140 1 18 . 1 1 12 12 THR CA C 12 65.127 65.127 66.514 -1.387 25510 9141 1 18 . 1 1 12 12 THR CB C 12 68.421 68.421 68.350 0.071 25510 9142 1 18 . 1 1 12 12 THR H H 12 7.753 7.753 7.909 -0.156 25510 9143 1 18 . 1 1 13 13 GLY N N 13 124.320 124.320 108.146 16.174 25510 9144 1 18 . 1 1 13 13 GLY C C 13 173.259 173.259 176.241 -2.982 25510 9145 1 18 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.494 0.940 25510 9146 1 18 . 1 1 13 13 GLY H H 13 7.019 7.019 7.780 -0.761 25510 9147 1 18 . 1 1 14 14 LEU N N 14 121.922 121.922 122.798 -0.876 25510 9148 1 18 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.153 -0.237 25510 9149 1 18 . 1 1 14 14 LEU C C 14 178.842 178.842 178.907 -0.065 25510 9150 1 18 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.829 0.221 25510 9151 1 18 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.068 0.758 25510 9152 1 18 . 1 1 14 14 LEU H H 14 8.941 8.941 7.974 0.967 25510 9153 1 18 . 1 1 15 15 ASP N N 15 115.417 115.417 116.283 -0.866 25510 9154 1 18 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.655 -0.156 25510 9155 1 18 . 1 1 15 15 ASP C C 15 175.905 175.905 176.798 -0.893 25510 9156 1 18 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.445 -0.640 25510 9157 1 18 . 1 1 15 15 ASP CB C 15 37.826 37.826 41.210 -3.384 25510 9158 1 18 . 1 1 15 15 ASP H H 15 9.012 9.012 7.997 1.015 25510 9159 1 18 . 1 1 16 16 HIS N N 16 114.840 114.840 117.222 -2.382 25510 9160 1 18 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.745 -0.011 25510 9161 1 18 . 1 1 16 16 HIS CA C 16 55.572 55.572 55.576 -0.004 25510 9162 1 18 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.382 -1.160 25510 9163 1 18 . 1 1 16 16 HIS H H 16 7.807 7.807 7.982 -0.175 25510 9164 1 18 . 1 1 17 17 ILE N N 17 111.347 111.347 113.412 -2.065 25510 9165 1 18 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.772 0.189 25510 9166 1 18 . 1 1 17 17 ILE C C 17 176.154 176.154 174.636 1.518 25510 9167 1 18 . 1 1 17 17 ILE CA C 17 59.512 59.512 58.814 0.698 25510 9168 1 18 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.346 -0.672 25510 9169 1 18 . 1 1 17 17 ILE H H 17 7.041 7.041 7.374 -0.333 25510 9170 1 18 . 1 1 18 18 THR N N 18 114.804 114.804 113.088 1.716 25510 9171 1 18 . 1 1 18 18 THR HA H 18 4.384 4.384 4.564 -0.180 25510 9172 1 18 . 1 1 18 18 THR C C 18 174.991 174.991 175.655 -0.664 25510 9173 1 18 . 1 1 18 18 THR CA C 18 61.063 61.063 59.536 1.527 25510 9174 1 18 . 1 1 18 18 THR CB C 18 71.227 71.227 70.871 0.356 25510 9175 1 18 . 1 1 18 18 THR H H 18 8.672 8.672 8.303 0.369 25510 9176 1 18 . 1 1 19 19 GLU N N 19 119.385 119.385 121.146 -1.761 25510 9177 1 18 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.007 0.025 25510 9178 1 18 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.558 0.314 25510 9179 1 18 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.710 -0.760 25510 9180 1 18 . 1 1 19 19 GLU H H 19 8.886 8.886 8.844 0.042 25510 9181 1 18 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.049 0.041 25510 9182 1 18 . 1 1 20 20 GLU C C 20 179.664 179.664 179.086 0.578 25510 9183 1 18 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.294 0.301 25510 9184 1 18 . 1 1 20 20 GLU CB C 20 29.043 29.043 29.154 -0.111 25510 9185 1 18 . 1 1 21 21 GLU N N 21 120.346 120.346 118.483 1.863 25510 9186 1 18 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.218 0.052 25510 9187 1 18 . 1 1 21 21 GLU C C 21 179.079 179.079 178.278 0.801 25510 9188 1 18 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.111 0.407 25510 9189 1 18 . 1 1 21 21 GLU CB C 21 29.885 29.885 28.886 0.999 25510 9190 1 18 . 1 1 21 21 GLU H H 21 7.611 7.611 8.658 -1.047 25510 9191 1 18 . 1 1 22 22 LEU N N 22 122.508 122.508 120.655 1.853 25510 9192 1 18 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.045 0.087 25510 9193 1 18 . 1 1 22 22 LEU C C 22 178.698 178.698 178.906 -0.208 25510 9194 1 18 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.272 -0.411 25510 9195 1 18 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.656 0.064 25510 9196 1 18 . 1 1 22 22 LEU H H 22 9.016 9.016 7.859 1.157 25510 9197 1 18 . 1 1 23 23 LYS N N 23 119.162 119.162 117.684 1.478 25510 9198 1 18 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.108 -0.122 25510 9199 1 18 . 1 1 23 23 LYS C C 23 179.624 179.624 179.589 0.035 25510 9200 1 18 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.389 1.302 25510 9201 1 18 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.114 0.280 25510 9202 1 18 . 1 1 23 23 LYS H H 23 7.777 7.777 7.649 0.128 25510 9203 1 18 . 1 1 24 24 ARG N N 24 119.502 119.502 119.890 -0.388 25510 9204 1 18 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.204 -0.003 25510 9205 1 18 . 1 1 24 24 ARG C C 24 178.260 178.260 178.825 -0.565 25510 9206 1 18 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.331 -0.099 25510 9207 1 18 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.326 -0.532 25510 9208 1 18 . 1 1 24 24 ARG H H 24 7.397 7.397 7.418 -0.021 25510 9209 1 18 . 1 1 25 25 PHE N N 25 120.567 120.567 121.318 -0.751 25510 9210 1 18 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.319 -0.451 25510 9211 1 18 . 1 1 25 25 PHE C C 25 177.302 177.302 177.137 0.165 25510 9212 1 18 . 1 1 25 25 PHE CA C 25 62.181 62.181 60.645 1.536 25510 9213 1 18 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.064 0.479 25510 9214 1 18 . 1 1 25 25 PHE H H 25 8.798 8.798 8.569 0.229 25510 9215 1 18 . 1 1 26 26 LYS N N 26 117.901 117.901 118.201 -0.300 25510 9216 1 18 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.679 -0.005 25510 9217 1 18 . 1 1 26 26 LYS C C 26 177.118 177.118 179.054 -1.936 25510 9218 1 18 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.215 1.747 25510 9219 1 18 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.073 0.966 25510 9220 1 18 . 1 1 26 26 LYS H H 26 8.841 8.841 7.879 0.962 25510 9221 1 18 . 1 1 27 27 TYR N N 27 118.480 118.480 121.636 -3.156 25510 9222 1 18 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.153 0.003 25510 9223 1 18 . 1 1 27 27 TYR C C 27 178.460 178.460 177.265 1.195 25510 9224 1 18 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.629 -0.172 25510 9225 1 18 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.540 -0.793 25510 9226 1 18 . 1 1 27 27 TYR H H 27 7.645 7.645 7.606 0.039 25510 9227 1 18 . 1 1 28 28 PHE N N 28 117.525 117.525 116.875 0.650 25510 9228 1 18 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.159 0.087 25510 9229 1 18 . 1 1 28 28 PHE C C 28 178.827 178.827 177.232 1.595 25510 9230 1 18 . 1 1 28 28 PHE CA C 28 60.802 60.802 61.211 -0.409 25510 9231 1 18 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.137 0.940 25510 9232 1 18 . 1 1 28 28 PHE H H 28 7.741 7.741 7.840 -0.099 25510 9233 1 18 . 1 1 29 29 ALA N N 29 123.372 123.372 120.572 2.800 25510 9234 1 18 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.196 -0.223 25510 9235 1 18 . 1 1 29 29 ALA C C 29 178.340 178.340 178.115 0.225 25510 9236 1 18 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.919 1.403 25510 9237 1 18 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.003 -1.799 25510 9238 1 18 . 1 1 29 29 ALA H H 29 8.840 8.840 7.622 1.218 25510 9239 1 18 . 1 1 30 30 LEU N N 30 117.039 117.039 120.340 -3.301 25510 9240 1 18 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.822 -0.783 25510 9241 1 18 . 1 1 30 30 LEU C C 30 178.373 178.373 176.466 1.907 25510 9242 1 18 . 1 1 30 30 LEU CA C 30 58.344 58.344 54.188 4.156 25510 9243 1 18 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.899 1.028 25510 9244 1 18 . 1 1 30 30 LEU H H 30 7.443 7.443 7.629 -0.186 25510 9245 1 18 . 1 1 31 31 THR N N 31 125.874 125.874 114.145 11.729 25510 9246 1 18 . 1 1 31 31 THR HA H 31 4.228 4.228 4.089 0.139 25510 9247 1 18 . 1 1 31 31 THR C C 31 176.282 176.282 175.374 0.908 25510 9248 1 18 . 1 1 31 31 THR CA C 31 63.328 63.328 63.462 -0.134 25510 9249 1 18 . 1 1 31 31 THR CB C 31 69.170 69.170 69.649 -0.479 25510 9250 1 18 . 1 1 31 31 THR H H 31 7.014 7.014 7.871 -0.857 25510 9251 1 18 . 1 1 32 32 GLU N N 32 120.558 120.558 119.479 1.079 25510 9252 1 18 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.166 -0.014 25510 9253 1 18 . 1 1 32 32 GLU C C 32 175.968 175.968 176.963 -0.995 25510 9254 1 18 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.346 0.435 25510 9255 1 18 . 1 1 32 32 GLU CB C 32 31.061 31.061 28.943 2.118 25510 9256 1 18 . 1 1 32 32 GLU H H 32 7.808 7.808 8.421 -0.613 25510 9257 1 18 . 1 1 33 33 PHE N N 33 114.045 114.045 118.387 -4.342 25510 9258 1 18 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.456 0.014 25510 9259 1 18 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.816 -1.318 25510 9260 1 18 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.929 1.614 25510 9261 1 18 . 1 1 33 33 PHE H H 33 8.390 8.390 7.671 0.719 25510 9262 1 18 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.961 0.309 25510 9263 1 18 . 1 1 34 34 GLN C C 34 174.516 174.516 175.417 -0.901 25510 9264 1 18 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.834 0.320 25510 9265 1 18 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.769 -0.448 25510 9266 1 18 . 1 1 34 34 GLN H H 34 7.968 7.968 8.158 -0.190 25510 9267 1 18 . 1 1 35 35 ILE N N 35 119.653 119.653 119.591 0.062 25510 9268 1 18 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.683 0.688 25510 9269 1 18 . 1 1 35 35 ILE C C 35 173.592 173.592 175.500 -1.908 25510 9270 1 18 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.851 -2.441 25510 9271 1 18 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.923 2.834 25510 9272 1 18 . 1 1 35 35 ILE H H 35 7.455 7.455 8.054 -0.599 25510 9273 1 18 . 1 1 36 36 ALA N N 36 126.668 126.668 128.277 -1.609 25510 9274 1 18 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.482 -0.214 25510 9275 1 18 . 1 1 36 36 ALA C C 36 178.784 178.784 177.464 1.320 25510 9276 1 18 . 1 1 36 36 ALA CA C 36 52.182 52.182 51.578 0.604 25510 9277 1 18 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.544 -0.280 25510 9278 1 18 . 1 1 36 36 ALA H H 36 8.238 8.238 8.417 -0.179 25510 9279 1 18 . 1 1 37 37 ARG N N 37 123.068 123.068 123.888 -0.820 25510 9280 1 18 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.074 -0.258 25510 9281 1 18 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.508 1.331 25510 9282 1 18 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.902 0.030 25510 9283 1 18 . 1 1 37 37 ARG H H 37 8.820 8.820 8.926 -0.106 25510 9284 1 18 . 1 1 38 38 SER N N 38 112.348 112.348 115.145 -2.797 25510 9285 1 18 . 1 1 38 38 SER HA H 38 4.178 4.178 4.364 -0.186 25510 9286 1 18 . 1 1 38 38 SER C C 38 178.315 178.315 176.154 2.161 25510 9287 1 18 . 1 1 38 38 SER CA C 38 60.772 60.772 61.449 -0.677 25510 9288 1 18 . 1 1 38 38 SER CB C 38 62.061 62.061 62.653 -0.591 25510 9289 1 18 . 1 1 38 38 SER H H 38 8.517 8.517 8.480 0.037 25510 9290 1 18 . 1 1 39 39 THR N N 39 117.311 117.311 115.048 2.263 25510 9291 1 18 . 1 1 39 39 THR HA H 39 4.025 4.025 4.160 -0.135 25510 9292 1 18 . 1 1 39 39 THR C C 39 175.203 175.203 175.632 -0.429 25510 9293 1 18 . 1 1 39 39 THR CA C 39 64.904 64.904 63.796 1.108 25510 9294 1 18 . 1 1 39 39 THR CB C 39 68.726 68.726 68.345 0.381 25510 9295 1 18 . 1 1 39 39 THR H H 39 7.231 7.231 8.155 -0.924 25510 9296 1 18 . 1 1 40 40 LEU N N 40 118.713 118.713 121.594 -2.881 25510 9297 1 18 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.899 0.132 25510 9298 1 18 . 1 1 40 40 LEU C C 40 177.743 177.743 178.296 -0.553 25510 9299 1 18 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.246 -1.183 25510 9300 1 18 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.403 0.891 25510 9301 1 18 . 1 1 40 40 LEU H H 40 7.552 7.552 7.296 0.256 25510 9302 1 18 . 1 1 41 41 ASP N N 41 119.468 119.468 119.225 0.243 25510 9303 1 18 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.435 0.062 25510 9304 1 18 . 1 1 41 41 ASP C C 41 177.111 177.111 177.954 -0.843 25510 9305 1 18 . 1 1 41 41 ASP CA C 41 56.594 56.594 57.130 -0.536 25510 9306 1 18 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.266 -1.312 25510 9307 1 18 . 1 1 41 41 ASP H H 41 8.153 8.153 7.675 0.478 25510 9308 1 18 . 1 1 42 42 VAL N N 42 111.960 111.960 114.125 -2.165 25510 9309 1 18 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.599 -0.271 25510 9310 1 18 . 1 1 42 42 VAL C C 42 175.994 175.994 176.239 -0.245 25510 9311 1 18 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.387 -0.645 25510 9312 1 18 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.211 1.530 25510 9313 1 18 . 1 1 42 42 VAL H H 42 7.293 7.293 7.578 -0.285 25510 9314 1 18 . 1 1 43 43 ALA N N 43 124.575 124.575 124.178 0.397 25510 9315 1 18 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.940 0.386 25510 9316 1 18 . 1 1 43 43 ALA C C 43 177.972 177.972 178.916 -0.944 25510 9317 1 18 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.530 -2.452 25510 9318 1 18 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.063 1.388 25510 9319 1 18 . 1 1 43 43 ALA H H 43 7.626 7.626 8.138 -0.512 25510 9320 1 18 . 1 1 44 44 ASP N N 44 119.810 119.810 117.392 2.418 25510 9321 1 18 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.301 -0.241 25510 9322 1 18 . 1 1 44 44 ASP C C 44 179.346 179.346 177.702 1.644 25510 9323 1 18 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.832 1.492 25510 9324 1 18 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.176 -8.244 25510 9325 1 18 . 1 1 44 44 ASP H H 44 8.002 8.002 8.751 -0.749 25510 9326 1 18 . 1 1 45 45 ARG N N 45 123.564 123.564 118.040 5.524 25510 9327 1 18 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.288 -0.519 25510 9328 1 18 . 1 1 45 45 ARG C C 45 177.492 177.492 177.922 -0.430 25510 9329 1 18 . 1 1 45 45 ARG CA C 45 60.809 60.809 57.872 2.937 25510 9330 1 18 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.157 2.857 25510 9331 1 18 . 1 1 45 45 ARG H H 45 8.611 8.611 7.617 0.995 25510 9332 1 18 . 1 1 46 46 THR N N 46 118.315 118.315 112.456 5.859 25510 9333 1 18 . 1 1 46 46 THR HA H 46 4.051 4.051 4.246 -0.195 25510 9334 1 18 . 1 1 46 46 THR C C 46 179.947 179.947 176.190 3.757 25510 9335 1 18 . 1 1 46 46 THR CA C 46 59.605 59.605 64.574 -4.969 25510 9336 1 18 . 1 1 46 46 THR CB C 46 32.375 32.375 69.865 -37.490 25510 9337 1 18 . 1 1 46 46 THR H H 46 8.182 8.182 7.561 0.621 25510 9338 1 18 . 1 1 47 47 GLU N N 47 118.691 118.691 121.525 -2.834 25510 9339 1 18 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.174 -0.152 25510 9340 1 18 . 1 1 47 47 GLU C C 47 179.758 179.758 179.079 0.679 25510 9341 1 18 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.605 -0.406 25510 9342 1 18 . 1 1 47 47 GLU H H 47 8.117 8.117 7.718 0.399 25510 9343 1 18 . 1 1 48 48 LEU N N 48 120.020 120.020 120.299 -0.279 25510 9344 1 18 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.968 -0.209 25510 9345 1 18 . 1 1 48 48 LEU C C 48 177.474 177.474 179.260 -1.786 25510 9346 1 18 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.022 0.553 25510 9347 1 18 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.562 0.040 25510 9348 1 18 . 1 1 48 48 LEU H H 48 8.355 8.355 8.575 -0.220 25510 9349 1 18 . 1 1 49 49 ALA N N 49 120.164 120.164 121.463 -1.299 25510 9350 1 18 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.846 -0.157 25510 9351 1 18 . 1 1 49 49 ALA C C 49 178.552 178.552 179.241 -0.689 25510 9352 1 18 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.261 0.868 25510 9353 1 18 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.919 -0.283 25510 9354 1 18 . 1 1 49 49 ALA H H 49 8.224 8.224 8.116 0.108 25510 9355 1 18 . 1 1 50 50 ASP N N 50 115.824 115.824 117.810 -1.986 25510 9356 1 18 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.358 0.060 25510 9357 1 18 . 1 1 50 50 ASP C C 50 179.108 179.108 178.382 0.726 25510 9358 1 18 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.194 0.727 25510 9359 1 18 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.151 -1.388 25510 9360 1 18 . 1 1 50 50 ASP H H 50 8.041 8.041 7.706 0.335 25510 9361 1 18 . 1 1 51 51 HIS N N 51 117.866 117.866 119.519 -1.653 25510 9362 1 18 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.286 0.179 25510 9363 1 18 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.842 -1.352 25510 9364 1 18 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.836 -2.771 25510 9365 1 18 . 1 1 51 51 HIS H H 51 8.541 8.541 8.120 0.421 25510 9366 1 18 . 1 1 52 52 LEU N N 52 120.279 120.279 117.757 2.522 25510 9367 1 18 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.855 -0.229 25510 9368 1 18 . 1 1 52 52 LEU C C 52 178.488 178.488 178.546 -0.058 25510 9369 1 18 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.724 0.656 25510 9370 1 18 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.376 -1.945 25510 9371 1 18 . 1 1 52 52 LEU H H 52 8.529 8.529 8.366 0.163 25510 9372 1 18 . 1 1 53 53 ILE N N 53 119.478 119.478 119.089 0.389 25510 9373 1 18 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.836 -0.397 25510 9374 1 18 . 1 1 53 53 ILE C C 53 178.798 178.798 178.516 0.282 25510 9375 1 18 . 1 1 53 53 ILE CA C 53 64.985 64.985 62.635 2.350 25510 9376 1 18 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.871 0.782 25510 9377 1 18 . 1 1 53 53 ILE H H 53 8.069 8.069 7.686 0.383 25510 9378 1 18 . 1 1 54 54 GLN N N 54 119.904 119.904 117.825 2.079 25510 9379 1 18 . 1 1 54 54 GLN HA H 54 4.020 4.020 3.961 0.059 25510 9380 1 18 . 1 1 54 54 GLN C C 54 177.668 177.668 177.572 0.096 25510 9381 1 18 . 1 1 54 54 GLN CA C 54 58.660 58.660 58.510 0.150 25510 9382 1 18 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.015 0.474 25510 9383 1 18 . 1 1 54 54 GLN H H 54 8.382 8.382 7.749 0.633 25510 9384 1 18 . 1 1 55 55 SER N N 55 110.647 110.647 116.069 -5.422 25510 9385 1 18 . 1 1 55 55 SER HA H 55 4.353 4.353 4.296 0.057 25510 9386 1 18 . 1 1 55 55 SER C C 55 175.910 175.910 174.885 1.025 25510 9387 1 18 . 1 1 55 55 SER CA C 55 61.019 61.019 60.645 0.374 25510 9388 1 18 . 1 1 55 55 SER CB C 55 63.997 63.997 62.906 1.091 25510 9389 1 18 . 1 1 55 55 SER H H 55 7.623 7.623 7.548 0.075 25510 9390 1 18 . 1 1 56 56 ALA N N 56 118.590 118.590 122.295 -3.705 25510 9391 1 18 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.456 0.269 25510 9392 1 18 . 1 1 56 56 ALA C C 56 178.537 178.537 176.767 1.770 25510 9393 1 18 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.280 0.432 25510 9394 1 18 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.039 0.723 25510 9395 1 18 . 1 1 56 56 ALA H H 56 7.908 7.908 7.484 0.424 25510 9396 1 18 . 1 1 57 57 GLY N N 57 109.060 109.060 105.855 3.205 25510 9397 1 18 . 1 1 57 57 GLY C C 57 174.410 174.410 173.482 0.928 25510 9398 1 18 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.354 -1.123 25510 9399 1 18 . 1 1 57 57 GLY H H 57 7.996 7.996 7.634 0.362 25510 9400 1 18 . 1 1 58 58 ALA N N 58 123.460 123.460 123.554 -0.094 25510 9401 1 18 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.049 -0.043 25510 9402 1 18 . 1 1 58 58 ALA C C 58 177.285 177.285 178.940 -1.655 25510 9403 1 18 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.052 2.029 25510 9404 1 18 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.020 0.186 25510 9405 1 18 . 1 1 58 58 ALA H H 58 8.710 8.710 8.727 -0.017 25510 9406 1 18 . 1 1 59 59 ALA N N 59 118.918 118.918 119.877 -0.959 25510 9407 1 18 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.175 -1.228 25510 9408 1 18 . 1 1 59 59 ALA C C 59 181.017 181.017 179.372 1.645 25510 9409 1 18 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.900 0.493 25510 9410 1 18 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.246 -0.216 25510 9411 1 18 . 1 1 59 59 ALA H H 59 8.272 8.272 8.569 -0.297 25510 9412 1 18 . 1 1 60 60 SER N N 60 112.905 112.905 114.362 -1.457 25510 9413 1 18 . 1 1 60 60 SER HA H 60 4.130 4.130 4.227 -0.097 25510 9414 1 18 . 1 1 60 60 SER C C 60 176.246 176.246 176.508 -0.262 25510 9415 1 18 . 1 1 60 60 SER CA C 60 60.601 60.601 61.149 -0.548 25510 9416 1 18 . 1 1 60 60 SER CB C 60 62.796 62.796 62.873 -0.077 25510 9417 1 18 . 1 1 60 60 SER H H 60 8.218 8.218 8.240 -0.022 25510 9418 1 18 . 1 1 61 61 ALA N N 61 121.207 121.207 124.576 -3.369 25510 9419 1 18 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.116 0.040 25510 9420 1 18 . 1 1 61 61 ALA C C 61 179.639 179.639 179.637 0.002 25510 9421 1 18 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.707 0.948 25510 9422 1 18 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.591 -0.041 25510 9423 1 18 . 1 1 61 61 ALA H H 61 8.583 8.583 7.556 1.027 25510 9424 1 18 . 1 1 62 62 VAL N N 62 116.024 116.024 117.645 -1.621 25510 9425 1 18 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.670 0.003 25510 9426 1 18 . 1 1 62 62 VAL C C 62 177.567 177.567 178.010 -0.443 25510 9427 1 18 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.789 1.114 25510 9428 1 18 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.609 -0.056 25510 9429 1 18 . 1 1 62 62 VAL H H 62 7.517 7.517 8.030 -0.513 25510 9430 1 18 . 1 1 63 63 THR N N 63 117.797 117.797 112.434 5.363 25510 9431 1 18 . 1 1 63 63 THR HA H 63 4.318 4.318 4.226 0.092 25510 9432 1 18 . 1 1 63 63 THR C C 63 176.800 176.800 176.614 0.186 25510 9433 1 18 . 1 1 63 63 THR CA C 63 68.590 68.590 65.386 3.204 25510 9434 1 18 . 1 1 63 63 THR CB C 63 67.818 67.818 68.886 -1.068 25510 9435 1 18 . 1 1 63 63 THR H H 63 8.007 8.007 7.615 0.392 25510 9436 1 18 . 1 1 64 64 LYS N N 64 121.300 121.300 121.697 -0.397 25510 9437 1 18 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.125 -0.228 25510 9438 1 18 . 1 1 64 64 LYS C C 64 178.721 178.721 178.573 0.148 25510 9439 1 18 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.923 1.019 25510 9440 1 18 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.791 2.447 25510 9441 1 18 . 1 1 64 64 LYS H H 64 8.771 8.771 7.599 1.172 25510 9442 1 18 . 1 1 65 65 ALA N N 65 121.115 121.115 122.272 -1.157 25510 9443 1 18 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.235 -0.183 25510 9444 1 18 . 1 1 65 65 ALA C C 65 178.759 178.759 179.555 -0.796 25510 9445 1 18 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.025 1.025 25510 9446 1 18 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.274 -0.030 25510 9447 1 18 . 1 1 65 65 ALA H H 65 8.598 8.598 8.511 0.087 25510 9448 1 18 . 1 1 66 66 ILE N N 66 118.735 118.735 118.055 0.680 25510 9449 1 18 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.761 -0.112 25510 9450 1 18 . 1 1 66 66 ILE C C 66 177.252 177.252 177.565 -0.313 25510 9451 1 18 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.923 4.036 25510 9452 1 18 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.781 1.268 25510 9453 1 18 . 1 1 66 66 ILE H H 66 8.657 8.657 7.545 1.112 25510 9454 1 18 . 1 1 67 67 ASN N N 67 117.463 117.463 118.913 -1.450 25510 9455 1 18 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.464 -0.057 25510 9456 1 18 . 1 1 67 67 ASN C C 67 178.095 178.095 177.864 0.231 25510 9457 1 18 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.741 -0.172 25510 9458 1 18 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.649 -0.268 25510 9459 1 18 . 1 1 67 67 ASN H H 67 7.525 7.525 7.882 -0.357 25510 9460 1 18 . 1 1 68 68 ILE N N 68 120.886 120.886 120.137 0.749 25510 9461 1 18 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.809 -0.563 25510 9462 1 18 . 1 1 68 68 ILE C C 68 177.540 177.540 177.833 -0.293 25510 9463 1 18 . 1 1 68 68 ILE CA C 68 66.216 66.216 64.929 1.287 25510 9464 1 18 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.285 -0.869 25510 9465 1 18 . 1 1 68 68 ILE H H 68 8.170 8.170 7.554 0.616 25510 9466 1 18 . 1 1 69 69 PHE N N 69 117.836 117.836 119.681 -1.845 25510 9467 1 18 . 1 1 69 69 PHE HA H 69 4.398 4.398 3.745 0.653 25510 9468 1 18 . 1 1 69 69 PHE C C 69 178.279 178.279 177.231 1.048 25510 9469 1 18 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.553 1.284 25510 9470 1 18 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.072 -1.079 25510 9471 1 18 . 1 1 69 69 PHE H H 69 8.963 8.963 8.411 0.552 25510 9472 1 18 . 1 1 70 70 GLN N N 70 118.145 118.145 118.501 -0.356 25510 9473 1 18 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.894 0.248 25510 9474 1 18 . 1 1 70 70 GLN C C 70 180.057 180.057 177.853 2.204 25510 9475 1 18 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.568 1.218 25510 9476 1 18 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.432 -0.759 25510 9477 1 18 . 1 1 70 70 GLN H H 70 8.480 8.480 8.301 0.179 25510 9478 1 18 . 1 1 71 71 LYS N N 71 123.368 123.368 118.271 5.097 25510 9479 1 18 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.029 -0.104 25510 9480 1 18 . 1 1 71 71 LYS C C 71 178.755 178.755 177.870 0.885 25510 9481 1 18 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.561 0.941 25510 9482 1 18 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.155 -0.127 25510 9483 1 18 . 1 1 71 71 LYS H H 71 8.099 8.099 7.505 0.594 25510 9484 1 18 . 1 1 72 72 LEU N N 72 117.830 117.830 117.983 -0.153 25510 9485 1 18 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.201 -0.209 25510 9486 1 18 . 1 1 72 72 LEU C C 72 175.462 175.462 177.315 -1.853 25510 9487 1 18 . 1 1 72 72 LEU CA C 72 55.069 55.069 55.980 -0.911 25510 9488 1 18 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.348 -0.193 25510 9489 1 18 . 1 1 72 72 LEU H H 72 7.866 7.866 7.439 0.427 25510 9490 1 18 . 1 1 73 73 ASN N N 73 113.996 113.996 114.852 -0.856 25510 9491 1 18 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.451 -0.112 25510 9492 1 18 . 1 1 73 73 ASN C C 73 175.753 175.753 174.723 1.030 25510 9493 1 18 . 1 1 73 73 ASN CA C 73 54.474 54.474 54.012 0.462 25510 9494 1 18 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.111 -3.632 25510 9495 1 18 . 1 1 73 73 ASN H H 73 8.026 8.026 7.401 0.625 25510 9496 1 18 . 1 1 74 74 TYR N N 74 122.244 122.244 118.881 3.363 25510 9497 1 18 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.851 0.426 25510 9498 1 18 . 1 1 74 74 TYR C C 74 177.548 177.548 175.624 1.924 25510 9499 1 18 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.399 -2.340 25510 9500 1 18 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.056 -2.680 25510 9501 1 18 . 1 1 74 74 TYR H H 74 8.613 8.613 7.219 1.394 25510 9502 1 18 . 1 1 75 75 MET N N 75 117.619 117.619 120.060 -2.441 25510 9503 1 18 . 1 1 75 75 MET HA H 75 4.275 4.275 4.014 0.261 25510 9504 1 18 . 1 1 75 75 MET C C 75 178.716 178.716 175.983 2.733 25510 9505 1 18 . 1 1 75 75 MET CA C 75 57.231 57.231 59.221 -1.990 25510 9506 1 18 . 1 1 75 75 MET CB C 75 30.304 30.304 32.135 -1.831 25510 9507 1 18 . 1 1 75 75 MET H H 75 7.722 7.722 7.992 -0.270 25510 9508 1 18 . 1 1 76 76 HIS N N 76 117.559 117.559 118.276 -0.717 25510 9509 1 18 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.495 -0.028 25510 9510 1 18 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.156 -0.159 25510 9511 1 18 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.715 -2.278 25510 9512 1 18 . 1 1 76 76 HIS H H 76 8.865 8.865 8.279 0.586 25510 9513 1 18 . 1 1 77 77 ILE N N 77 119.750 119.750 120.467 -0.717 25510 9514 1 18 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.769 -0.185 25510 9515 1 18 . 1 1 77 77 ILE C C 77 177.168 177.168 178.251 -1.083 25510 9516 1 18 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.094 0.110 25510 9517 1 18 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.723 0.077 25510 9518 1 18 . 1 1 77 77 ILE H H 77 7.356 7.356 7.530 -0.174 25510 9519 1 18 . 1 1 78 78 ALA N N 78 120.662 120.662 121.487 -0.825 25510 9520 1 18 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.904 0.026 25510 9521 1 18 . 1 1 78 78 ALA C C 78 178.936 178.936 178.552 0.384 25510 9522 1 18 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.318 1.103 25510 9523 1 18 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.156 0.831 25510 9524 1 18 . 1 1 78 78 ALA H H 78 8.054 8.054 8.503 -0.449 25510 9525 1 18 . 1 1 79 79 ASN N N 79 114.176 114.176 117.086 -2.910 25510 9526 1 18 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.654 -0.210 25510 9527 1 18 . 1 1 79 79 ASN C C 79 177.625 177.625 177.292 0.333 25510 9528 1 18 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.352 -0.301 25510 9529 1 18 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.464 -0.240 25510 9530 1 18 . 1 1 79 79 ASN H H 79 8.531 8.531 7.963 0.568 25510 9531 1 18 . 1 1 80 80 ALA N N 80 123.670 123.670 120.611 3.059 25510 9532 1 18 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.180 -0.052 25510 9533 1 18 . 1 1 80 80 ALA C C 80 180.727 180.727 178.951 1.776 25510 9534 1 18 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.328 0.834 25510 9535 1 18 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.787 -0.525 25510 9536 1 18 . 1 1 80 80 ALA H H 80 7.822 7.822 7.600 0.222 25510 9537 1 18 . 1 1 81 81 LEU N N 81 120.065 120.065 118.649 1.416 25510 9538 1 18 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.003 -0.011 25510 9539 1 18 . 1 1 81 81 LEU C C 81 177.550 177.550 179.307 -1.757 25510 9540 1 18 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.190 0.683 25510 9541 1 18 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.816 0.523 25510 9542 1 18 . 1 1 81 81 LEU H H 81 8.526 8.526 7.380 1.146 25510 9543 1 18 . 1 1 82 82 GLU N N 82 119.844 119.844 118.608 1.236 25510 9544 1 18 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.962 0.033 25510 9545 1 18 . 1 1 82 82 GLU C C 82 178.510 178.510 178.827 -0.317 25510 9546 1 18 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.048 0.623 25510 9547 1 18 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.588 0.216 25510 9548 1 18 . 1 1 82 82 GLU H H 82 8.429 8.429 8.539 -0.110 25510 9549 1 18 . 1 1 83 83 GLU N N 83 118.585 118.585 120.999 -2.414 25510 9550 1 18 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.077 -0.023 25510 9551 1 18 . 1 1 83 83 GLU C C 83 179.516 179.516 178.563 0.953 25510 9552 1 18 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.724 1.180 25510 9553 1 18 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.450 -0.491 25510 9554 1 18 . 1 1 83 83 GLU H H 83 8.138 8.138 8.094 0.044 25510 9555 1 18 . 1 1 84 84 LYS N N 84 119.135 119.135 119.104 0.031 25510 9556 1 18 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.105 0.015 25510 9557 1 18 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.652 1.056 25510 9558 1 18 . 1 1 84 84 LYS H H 84 8.690 8.690 7.897 0.793 25510 9559 1 18 . 1 1 85 85 LYS N N 85 118.012 118.012 119.468 -1.456 25510 9560 1 18 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.092 0.365 25510 9561 1 18 . 1 1 85 85 LYS H H 85 8.109 8.109 7.772 0.337 25510 9562 1 18 . 1 1 86 86 LYS N N 86 119.839 119.839 118.010 1.829 25510 9563 1 18 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.011 -0.093 25510 9564 1 18 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.876 4.422 25510 9565 1 18 . 1 1 86 86 LYS H H 86 8.577 8.577 7.623 0.954 25510 9566 1 18 . 1 1 87 87 GLU N N 87 119.674 119.674 118.485 1.189 25510 9567 1 18 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.161 -0.170 25510 9568 1 18 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.550 0.689 25510 9569 1 18 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.706 -0.595 25510 9570 1 18 . 1 1 87 87 GLU H H 87 8.402 8.402 7.832 0.570 25510 9571 1 18 . 1 1 88 88 ALA N N 88 121.869 121.869 122.476 -0.607 25510 9572 1 18 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.842 0.240 25510 9573 1 18 . 1 1 88 88 ALA C C 88 179.999 179.999 179.553 0.446 25510 9574 1 18 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.736 0.202 25510 9575 1 18 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.585 0.832 25510 9576 1 18 . 1 1 88 88 ALA H H 88 8.043 8.043 7.486 0.557 25510 9577 1 18 . 1 1 89 89 GLU N N 89 115.931 115.931 117.968 -2.037 25510 9578 1 18 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.887 0.117 25510 9579 1 18 . 1 1 89 89 GLU C C 89 178.454 178.454 179.214 -0.760 25510 9580 1 18 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.450 -1.056 25510 9581 1 18 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.132 0.012 25510 9582 1 18 . 1 1 89 89 GLU H H 89 8.058 8.058 7.892 0.166 25510 9583 1 18 . 1 1 90 90 ARG N N 90 119.607 119.607 117.232 2.375 25510 9584 1 18 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.133 0.050 25510 9585 1 18 . 1 1 90 90 ARG C C 90 177.870 177.870 178.395 -0.525 25510 9586 1 18 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.176 0.089 25510 9587 1 18 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.707 0.542 25510 9588 1 18 . 1 1 90 90 ARG H H 90 7.791 7.791 7.729 0.062 25510 9589 1 18 . 1 1 91 91 LYS N N 91 118.638 118.638 118.713 -0.075 25510 9590 1 18 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.043 0.154 25510 9591 1 18 . 1 1 91 91 LYS C C 91 177.087 177.087 177.662 -0.575 25510 9592 1 18 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.789 -1.183 25510 9593 1 18 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.175 0.445 25510 9594 1 18 . 1 1 91 91 LYS H H 91 7.709 7.709 7.291 0.418 25510 9595 1 18 . 1 1 92 92 LEU N N 92 119.640 119.640 116.888 2.752 25510 9596 1 18 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.317 0.012 25510 9597 1 18 . 1 1 92 92 LEU C C 92 177.464 177.464 177.595 -0.131 25510 9598 1 18 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.257 0.361 25510 9599 1 18 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.534 -0.179 25510 9600 1 18 . 1 1 92 92 LEU H H 92 7.766 7.766 7.565 0.201 25510 9601 1 18 . 1 1 93 93 MET N N 93 119.121 119.121 117.366 1.755 25510 9602 1 18 . 1 1 93 93 MET HA H 93 4.570 4.570 4.591 -0.021 25510 9603 1 18 . 1 1 93 93 MET C C 93 176.224 176.224 176.121 0.103 25510 9604 1 18 . 1 1 93 93 MET CA C 93 55.648 55.648 55.321 0.327 25510 9605 1 18 . 1 1 93 93 MET CB C 93 32.978 32.978 33.480 -0.502 25510 9606 1 18 . 1 1 93 93 MET H H 93 7.973 7.973 7.464 0.509 25510 9607 1 18 . 1 1 94 94 THR N N 94 114.125 114.125 115.657 -1.532 25510 9608 1 18 . 1 1 94 94 THR HA H 94 4.375 4.375 4.255 0.120 25510 9609 1 18 . 1 1 94 94 THR C C 94 173.550 173.550 174.437 -0.887 25510 9610 1 18 . 1 1 94 94 THR CA C 94 61.682 61.682 62.237 -0.555 25510 9611 1 18 . 1 1 94 94 THR CB C 94 70.027 70.027 69.789 0.238 25510 9612 1 18 . 1 1 94 94 THR H H 94 8.025 8.025 7.560 0.465 25510 9613 1 19 . 1 1 2 2 GLU N N 2 119.768 119.768 123.225 -3.457 25510 9614 1 19 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.159 -0.139 25510 9615 1 19 . 1 1 2 2 GLU C C 2 178.535 178.535 177.953 0.582 25510 9616 1 19 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.680 1.069 25510 9617 1 19 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.780 -0.673 25510 9618 1 19 . 1 1 2 2 GLU H H 2 8.426 8.426 8.939 -0.513 25510 9619 1 19 . 1 1 3 3 SER N N 3 113.553 113.553 115.204 -1.651 25510 9620 1 19 . 1 1 3 3 SER HA H 3 4.235 4.235 4.221 0.014 25510 9621 1 19 . 1 1 3 3 SER C C 3 176.578 176.578 176.805 -0.227 25510 9622 1 19 . 1 1 3 3 SER CA C 3 61.448 61.448 61.055 0.393 25510 9623 1 19 . 1 1 3 3 SER CB C 3 62.746 62.746 62.325 0.421 25510 9624 1 19 . 1 1 3 3 SER H H 3 8.151 8.151 8.352 -0.201 25510 9625 1 19 . 1 1 4 4 GLU N N 4 122.599 122.599 121.225 1.374 25510 9626 1 19 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.180 -0.103 25510 9627 1 19 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.627 0.789 25510 9628 1 19 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.270 -1.009 25510 9629 1 19 . 1 1 4 4 GLU H H 4 8.051 8.051 8.455 -0.404 25510 9630 1 19 . 1 1 5 5 TYR N N 5 119.991 119.991 121.200 -1.209 25510 9631 1 19 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.228 0.244 25510 9632 1 19 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.042 -0.129 25510 9633 1 19 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.419 -0.466 25510 9634 1 19 . 1 1 5 5 TYR H H 5 8.339 8.339 7.706 0.633 25510 9635 1 19 . 1 1 6 6 ARG N N 6 120.010 120.010 117.210 2.800 25510 9636 1 19 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.796 -0.037 25510 9637 1 19 . 1 1 6 6 ARG C C 6 177.365 177.365 178.076 -0.711 25510 9638 1 19 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.034 1.627 25510 9639 1 19 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.655 0.683 25510 9640 1 19 . 1 1 6 6 ARG H H 6 8.202 8.202 7.889 0.313 25510 9641 1 19 . 1 1 7 7 GLU N N 7 116.287 116.287 121.570 -5.283 25510 9642 1 19 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.024 0.026 25510 9643 1 19 . 1 1 7 7 GLU C C 7 178.544 178.544 178.755 -0.211 25510 9644 1 19 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.270 0.144 25510 9645 1 19 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.866 -0.843 25510 9646 1 19 . 1 1 7 7 GLU H H 7 8.165 8.165 7.689 0.476 25510 9647 1 19 . 1 1 8 8 MET N N 8 116.181 116.181 117.046 -0.865 25510 9648 1 19 . 1 1 8 8 MET HA H 8 4.411 4.411 4.199 0.212 25510 9649 1 19 . 1 1 8 8 MET C C 8 177.616 177.616 177.923 -0.307 25510 9650 1 19 . 1 1 8 8 MET CA C 8 59.067 59.067 59.104 -0.037 25510 9651 1 19 . 1 1 8 8 MET CB C 8 32.089 32.089 32.595 -0.506 25510 9652 1 19 . 1 1 8 8 MET H H 8 8.168 8.168 8.189 -0.021 25510 9653 1 19 . 1 1 9 9 LEU N N 9 122.056 122.056 121.300 0.756 25510 9654 1 19 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.893 0.088 25510 9655 1 19 . 1 1 9 9 LEU C C 9 177.211 177.211 178.499 -1.288 25510 9656 1 19 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.410 1.091 25510 9657 1 19 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.697 0.601 25510 9658 1 19 . 1 1 9 9 LEU H H 9 7.883 7.883 7.372 0.511 25510 9659 1 19 . 1 1 10 10 LEU N N 10 117.952 117.952 117.742 0.210 25510 9660 1 19 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.773 0.181 25510 9661 1 19 . 1 1 10 10 LEU C C 10 176.132 176.132 178.588 -2.456 25510 9662 1 19 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.207 1.185 25510 9663 1 19 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.899 1.833 25510 9664 1 19 . 1 1 10 10 LEU H H 10 8.011 8.011 7.312 0.699 25510 9665 1 19 . 1 1 11 11 LEU N N 11 116.301 116.301 120.070 -3.769 25510 9666 1 19 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.176 -0.026 25510 9667 1 19 . 1 1 11 11 LEU C C 11 179.384 179.384 178.646 0.738 25510 9668 1 19 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.540 0.400 25510 9669 1 19 . 1 1 11 11 LEU CB C 11 41.667 41.667 41.921 -0.254 25510 9670 1 19 . 1 1 11 11 LEU H H 11 8.916 8.916 7.719 1.197 25510 9671 1 19 . 1 1 12 12 THR N N 12 112.429 112.429 111.216 1.213 25510 9672 1 19 . 1 1 12 12 THR HA H 12 4.148 4.148 4.067 0.081 25510 9673 1 19 . 1 1 12 12 THR C C 12 174.055 174.055 175.159 -1.104 25510 9674 1 19 . 1 1 12 12 THR CA C 12 65.127 65.127 64.193 0.934 25510 9675 1 19 . 1 1 12 12 THR CB C 12 68.421 68.421 68.126 0.295 25510 9676 1 19 . 1 1 12 12 THR H H 12 7.753 7.753 7.988 -0.235 25510 9677 1 19 . 1 1 13 13 GLY N N 13 124.320 124.320 108.666 15.654 25510 9678 1 19 . 1 1 13 13 GLY C C 13 173.259 173.259 175.918 -2.659 25510 9679 1 19 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.063 1.371 25510 9680 1 19 . 1 1 13 13 GLY H H 13 7.019 7.019 7.739 -0.720 25510 9681 1 19 . 1 1 14 14 LEU N N 14 121.922 121.922 122.995 -1.073 25510 9682 1 19 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.114 -0.198 25510 9683 1 19 . 1 1 14 14 LEU C C 14 178.842 178.842 178.735 0.107 25510 9684 1 19 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.934 0.116 25510 9685 1 19 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.309 0.517 25510 9686 1 19 . 1 1 14 14 LEU H H 14 8.941 8.941 8.050 0.891 25510 9687 1 19 . 1 1 15 15 ASP N N 15 115.417 115.417 116.055 -0.638 25510 9688 1 19 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.636 -0.137 25510 9689 1 19 . 1 1 15 15 ASP C C 15 175.905 175.905 176.577 -0.672 25510 9690 1 19 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.751 -0.946 25510 9691 1 19 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.598 -2.772 25510 9692 1 19 . 1 1 15 15 ASP H H 15 9.012 9.012 7.933 1.079 25510 9693 1 19 . 1 1 16 16 HIS N N 16 114.840 114.840 115.802 -0.962 25510 9694 1 19 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.657 0.077 25510 9695 1 19 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.248 -0.676 25510 9696 1 19 . 1 1 16 16 HIS CB C 16 29.222 29.222 31.618 -2.396 25510 9697 1 19 . 1 1 16 16 HIS H H 16 7.807 7.807 7.836 -0.029 25510 9698 1 19 . 1 1 17 17 ILE N N 17 111.347 111.347 117.980 -6.633 25510 9699 1 19 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.677 0.284 25510 9700 1 19 . 1 1 17 17 ILE C C 17 176.154 176.154 175.287 0.867 25510 9701 1 19 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.557 -0.045 25510 9702 1 19 . 1 1 17 17 ILE CB C 17 39.674 39.674 39.114 0.560 25510 9703 1 19 . 1 1 17 17 ILE H H 17 7.041 7.041 7.679 -0.638 25510 9704 1 19 . 1 1 18 18 THR N N 18 114.804 114.804 115.719 -0.915 25510 9705 1 19 . 1 1 18 18 THR HA H 18 4.384 4.384 4.558 -0.174 25510 9706 1 19 . 1 1 18 18 THR C C 18 174.991 174.991 175.893 -0.902 25510 9707 1 19 . 1 1 18 18 THR CA C 18 61.063 61.063 60.875 0.188 25510 9708 1 19 . 1 1 18 18 THR CB C 18 71.227 71.227 70.021 1.206 25510 9709 1 19 . 1 1 18 18 THR H H 18 8.672 8.672 8.239 0.433 25510 9710 1 19 . 1 1 19 19 GLU N N 19 119.385 119.385 123.375 -3.990 25510 9711 1 19 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.914 0.118 25510 9712 1 19 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.385 -0.513 25510 9713 1 19 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.352 -0.401 25510 9714 1 19 . 1 1 19 19 GLU H H 19 8.886 8.886 8.985 -0.099 25510 9715 1 19 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.106 -0.016 25510 9716 1 19 . 1 1 20 20 GLU C C 20 179.664 179.664 178.882 0.782 25510 9717 1 19 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.041 0.554 25510 9718 1 19 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.888 0.155 25510 9719 1 19 . 1 1 21 21 GLU N N 21 120.346 120.346 119.397 0.949 25510 9720 1 19 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.188 0.082 25510 9721 1 19 . 1 1 21 21 GLU C C 21 179.079 179.079 178.928 0.151 25510 9722 1 19 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.060 0.458 25510 9723 1 19 . 1 1 21 21 GLU CB C 21 29.885 29.885 28.953 0.932 25510 9724 1 19 . 1 1 21 21 GLU H H 21 7.611 7.611 7.514 0.097 25510 9725 1 19 . 1 1 22 22 LEU N N 22 122.508 122.508 120.096 2.412 25510 9726 1 19 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.073 0.059 25510 9727 1 19 . 1 1 22 22 LEU C C 22 178.698 178.698 178.872 -0.174 25510 9728 1 19 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.738 -0.877 25510 9729 1 19 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.452 0.269 25510 9730 1 19 . 1 1 22 22 LEU H H 22 9.016 9.016 7.708 1.308 25510 9731 1 19 . 1 1 23 23 LYS N N 23 119.162 119.162 117.566 1.596 25510 9732 1 19 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.110 -0.124 25510 9733 1 19 . 1 1 23 23 LYS C C 23 179.624 179.624 179.257 0.367 25510 9734 1 19 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.616 1.075 25510 9735 1 19 . 1 1 23 23 LYS CB C 23 32.394 32.394 31.699 0.695 25510 9736 1 19 . 1 1 23 23 LYS H H 23 7.777 7.777 8.277 -0.500 25510 9737 1 19 . 1 1 24 24 ARG N N 24 119.502 119.502 119.864 -0.362 25510 9738 1 19 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.157 0.044 25510 9739 1 19 . 1 1 24 24 ARG C C 24 178.260 178.260 179.154 -0.894 25510 9740 1 19 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.309 -0.077 25510 9741 1 19 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.210 -0.416 25510 9742 1 19 . 1 1 24 24 ARG H H 24 7.397 7.397 7.502 -0.105 25510 9743 1 19 . 1 1 25 25 PHE N N 25 120.567 120.567 121.722 -1.155 25510 9744 1 19 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.402 -0.534 25510 9745 1 19 . 1 1 25 25 PHE C C 25 177.302 177.302 177.132 0.170 25510 9746 1 19 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.031 1.150 25510 9747 1 19 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.221 0.322 25510 9748 1 19 . 1 1 25 25 PHE H H 25 8.798 8.798 8.125 0.673 25510 9749 1 19 . 1 1 26 26 LYS N N 26 117.901 117.901 119.223 -1.322 25510 9750 1 19 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.793 -0.119 25510 9751 1 19 . 1 1 26 26 LYS C C 26 177.118 177.118 179.119 -2.001 25510 9752 1 19 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.079 1.883 25510 9753 1 19 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.970 1.069 25510 9754 1 19 . 1 1 26 26 LYS H H 26 8.841 8.841 7.995 0.846 25510 9755 1 19 . 1 1 27 27 TYR N N 27 118.480 118.480 120.562 -2.082 25510 9756 1 19 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.260 -0.104 25510 9757 1 19 . 1 1 27 27 TYR C C 27 178.460 178.460 177.344 1.116 25510 9758 1 19 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.178 0.279 25510 9759 1 19 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.716 -0.969 25510 9760 1 19 . 1 1 27 27 TYR H H 27 7.645 7.645 8.271 -0.626 25510 9761 1 19 . 1 1 28 28 PHE N N 28 117.525 117.525 118.737 -1.212 25510 9762 1 19 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.145 0.101 25510 9763 1 19 . 1 1 28 28 PHE C C 28 178.827 178.827 176.213 2.614 25510 9764 1 19 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.288 0.514 25510 9765 1 19 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.684 0.393 25510 9766 1 19 . 1 1 28 28 PHE H H 28 7.741 7.741 7.491 0.250 25510 9767 1 19 . 1 1 29 29 ALA N N 29 123.372 123.372 120.315 3.057 25510 9768 1 19 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.245 -0.272 25510 9769 1 19 . 1 1 29 29 ALA C C 29 178.340 178.340 178.012 0.328 25510 9770 1 19 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.705 1.617 25510 9771 1 19 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.311 -2.107 25510 9772 1 19 . 1 1 29 29 ALA H H 29 8.840 8.840 7.878 0.962 25510 9773 1 19 . 1 1 30 30 LEU N N 30 117.039 117.039 119.400 -2.361 25510 9774 1 19 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.968 -0.929 25510 9775 1 19 . 1 1 30 30 LEU C C 30 178.373 178.373 176.938 1.435 25510 9776 1 19 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.288 5.056 25510 9777 1 19 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.586 2.341 25510 9778 1 19 . 1 1 30 30 LEU H H 30 7.443 7.443 7.714 -0.271 25510 9779 1 19 . 1 1 31 31 THR N N 31 125.874 125.874 114.544 11.330 25510 9780 1 19 . 1 1 31 31 THR HA H 31 4.228 4.228 3.997 0.231 25510 9781 1 19 . 1 1 31 31 THR C C 31 176.282 176.282 175.221 1.061 25510 9782 1 19 . 1 1 31 31 THR CA C 31 63.328 63.328 63.792 -0.464 25510 9783 1 19 . 1 1 31 31 THR CB C 31 69.170 69.170 69.310 -0.140 25510 9784 1 19 . 1 1 31 31 THR H H 31 7.014 7.014 7.854 -0.841 25510 9785 1 19 . 1 1 32 32 GLU N N 32 120.558 120.558 120.370 0.188 25510 9786 1 19 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.117 0.035 25510 9787 1 19 . 1 1 32 32 GLU C C 32 175.968 175.968 176.994 -1.026 25510 9788 1 19 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.742 0.039 25510 9789 1 19 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.081 1.980 25510 9790 1 19 . 1 1 32 32 GLU H H 32 7.808 7.808 8.233 -0.425 25510 9791 1 19 . 1 1 33 33 PHE N N 33 114.045 114.045 116.544 -2.499 25510 9792 1 19 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.482 -0.012 25510 9793 1 19 . 1 1 33 33 PHE CA C 33 57.498 57.498 59.429 -1.931 25510 9794 1 19 . 1 1 33 33 PHE CB C 33 40.543 40.543 38.962 1.581 25510 9795 1 19 . 1 1 33 33 PHE H H 33 8.390 8.390 7.613 0.777 25510 9796 1 19 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.953 0.317 25510 9797 1 19 . 1 1 34 34 GLN C C 34 174.516 174.516 175.364 -0.848 25510 9798 1 19 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.301 -0.147 25510 9799 1 19 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.086 0.235 25510 9800 1 19 . 1 1 34 34 GLN H H 34 7.968 7.968 8.275 -0.307 25510 9801 1 19 . 1 1 35 35 ILE N N 35 119.653 119.653 120.072 -0.419 25510 9802 1 19 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.870 0.501 25510 9803 1 19 . 1 1 35 35 ILE C C 35 173.592 173.592 176.369 -2.777 25510 9804 1 19 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.939 -2.529 25510 9805 1 19 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.280 3.477 25510 9806 1 19 . 1 1 35 35 ILE H H 35 7.455 7.455 8.184 -0.729 25510 9807 1 19 . 1 1 36 36 ALA N N 36 126.668 126.668 130.327 -3.659 25510 9808 1 19 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.292 -0.024 25510 9809 1 19 . 1 1 36 36 ALA C C 36 178.784 178.784 177.593 1.191 25510 9810 1 19 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.461 -0.279 25510 9811 1 19 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.855 -0.590 25510 9812 1 19 . 1 1 36 36 ALA H H 36 8.238 8.238 8.435 -0.197 25510 9813 1 19 . 1 1 37 37 ARG N N 37 123.068 123.068 122.090 0.978 25510 9814 1 19 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.074 -0.258 25510 9815 1 19 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.648 1.190 25510 9816 1 19 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.302 -0.370 25510 9817 1 19 . 1 1 37 37 ARG H H 37 8.820 8.820 8.684 0.136 25510 9818 1 19 . 1 1 38 38 SER N N 38 112.348 112.348 115.572 -3.224 25510 9819 1 19 . 1 1 38 38 SER HA H 38 4.178 4.178 4.362 -0.184 25510 9820 1 19 . 1 1 38 38 SER C C 38 178.315 178.315 176.031 2.284 25510 9821 1 19 . 1 1 38 38 SER CA C 38 60.772 60.772 61.301 -0.529 25510 9822 1 19 . 1 1 38 38 SER CB C 38 62.061 62.061 62.284 -0.223 25510 9823 1 19 . 1 1 38 38 SER H H 38 8.517 8.517 8.520 -0.003 25510 9824 1 19 . 1 1 39 39 THR N N 39 117.311 117.311 115.696 1.615 25510 9825 1 19 . 1 1 39 39 THR HA H 39 4.025 4.025 4.101 -0.076 25510 9826 1 19 . 1 1 39 39 THR C C 39 175.203 175.203 176.117 -0.914 25510 9827 1 19 . 1 1 39 39 THR CA C 39 64.904 64.904 64.680 0.224 25510 9828 1 19 . 1 1 39 39 THR CB C 39 68.726 68.726 68.290 0.436 25510 9829 1 19 . 1 1 39 39 THR H H 39 7.231 7.231 7.676 -0.445 25510 9830 1 19 . 1 1 40 40 LEU N N 40 118.713 118.713 121.035 -2.322 25510 9831 1 19 . 1 1 40 40 LEU HA H 40 4.031 4.031 4.047 -0.016 25510 9832 1 19 . 1 1 40 40 LEU C C 40 177.743 177.743 177.998 -0.255 25510 9833 1 19 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.529 -1.466 25510 9834 1 19 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.084 1.210 25510 9835 1 19 . 1 1 40 40 LEU H H 40 7.552 7.552 7.417 0.135 25510 9836 1 19 . 1 1 41 41 ASP N N 41 119.468 119.468 119.852 -0.384 25510 9837 1 19 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.435 0.062 25510 9838 1 19 . 1 1 41 41 ASP C C 41 177.111 177.111 177.351 -0.240 25510 9839 1 19 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.996 -0.402 25510 9840 1 19 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.652 -1.698 25510 9841 1 19 . 1 1 41 41 ASP H H 41 8.153 8.153 7.875 0.278 25510 9842 1 19 . 1 1 42 42 VAL N N 42 111.960 111.960 111.425 0.535 25510 9843 1 19 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.728 -0.400 25510 9844 1 19 . 1 1 42 42 VAL C C 42 175.994 175.994 175.989 0.005 25510 9845 1 19 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.922 -0.180 25510 9846 1 19 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.811 0.931 25510 9847 1 19 . 1 1 42 42 VAL H H 42 7.293 7.293 7.594 -0.301 25510 9848 1 19 . 1 1 43 43 ALA N N 43 124.575 124.575 124.800 -0.225 25510 9849 1 19 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.925 0.401 25510 9850 1 19 . 1 1 43 43 ALA C C 43 177.972 177.972 178.829 -0.857 25510 9851 1 19 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.702 -2.624 25510 9852 1 19 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.183 1.268 25510 9853 1 19 . 1 1 43 43 ALA H H 43 7.626 7.626 7.969 -0.343 25510 9854 1 19 . 1 1 44 44 ASP N N 44 119.810 119.810 117.364 2.446 25510 9855 1 19 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.298 -0.238 25510 9856 1 19 . 1 1 44 44 ASP C C 44 179.346 179.346 177.791 1.555 25510 9857 1 19 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.760 1.564 25510 9858 1 19 . 1 1 44 44 ASP CB C 44 31.932 31.932 39.906 -7.974 25510 9859 1 19 . 1 1 44 44 ASP H H 44 8.002 8.002 8.816 -0.814 25510 9860 1 19 . 1 1 45 45 ARG N N 45 123.564 123.564 119.427 4.137 25510 9861 1 19 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.332 -0.563 25510 9862 1 19 . 1 1 45 45 ARG C C 45 177.492 177.492 178.286 -0.794 25510 9863 1 19 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.282 2.527 25510 9864 1 19 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.680 2.334 25510 9865 1 19 . 1 1 45 45 ARG H H 45 8.611 8.611 7.582 1.029 25510 9866 1 19 . 1 1 46 46 THR N N 46 118.315 118.315 113.433 4.882 25510 9867 1 19 . 1 1 46 46 THR HA H 46 4.051 4.051 4.320 -0.269 25510 9868 1 19 . 1 1 46 46 THR C C 46 179.947 179.947 175.568 4.379 25510 9869 1 19 . 1 1 46 46 THR CA C 46 59.605 59.605 65.354 -5.749 25510 9870 1 19 . 1 1 46 46 THR CB C 46 32.375 32.375 69.393 -37.018 25510 9871 1 19 . 1 1 46 46 THR H H 46 8.182 8.182 7.597 0.585 25510 9872 1 19 . 1 1 47 47 GLU N N 47 118.691 118.691 121.877 -3.186 25510 9873 1 19 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.157 -0.135 25510 9874 1 19 . 1 1 47 47 GLU C C 47 179.758 179.758 179.082 0.676 25510 9875 1 19 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.572 -0.373 25510 9876 1 19 . 1 1 47 47 GLU H H 47 8.117 8.117 7.849 0.268 25510 9877 1 19 . 1 1 48 48 LEU N N 48 120.020 120.020 120.045 -0.025 25510 9878 1 19 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.966 -0.207 25510 9879 1 19 . 1 1 48 48 LEU C C 48 177.474 177.474 179.193 -1.719 25510 9880 1 19 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.995 0.579 25510 9881 1 19 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.558 0.044 25510 9882 1 19 . 1 1 48 48 LEU H H 48 8.355 8.355 8.537 -0.182 25510 9883 1 19 . 1 1 49 49 ALA N N 49 120.164 120.164 121.720 -1.556 25510 9884 1 19 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.844 -0.155 25510 9885 1 19 . 1 1 49 49 ALA C C 49 178.552 178.552 179.485 -0.933 25510 9886 1 19 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.276 0.853 25510 9887 1 19 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.913 -0.277 25510 9888 1 19 . 1 1 49 49 ALA H H 49 8.224 8.224 8.121 0.103 25510 9889 1 19 . 1 1 50 50 ASP N N 50 115.824 115.824 117.764 -1.940 25510 9890 1 19 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.375 0.043 25510 9891 1 19 . 1 1 50 50 ASP C C 50 179.108 179.108 178.502 0.606 25510 9892 1 19 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.600 0.321 25510 9893 1 19 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.840 -1.077 25510 9894 1 19 . 1 1 50 50 ASP H H 50 8.041 8.041 7.712 0.329 25510 9895 1 19 . 1 1 51 51 HIS N N 51 117.866 117.866 120.499 -2.633 25510 9896 1 19 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.226 0.239 25510 9897 1 19 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.529 -1.039 25510 9898 1 19 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.594 -2.529 25510 9899 1 19 . 1 1 51 51 HIS H H 51 8.541 8.541 7.931 0.610 25510 9900 1 19 . 1 1 52 52 LEU N N 52 120.279 120.279 117.746 2.533 25510 9901 1 19 . 1 1 52 52 LEU HA H 52 3.626 3.626 4.125 -0.499 25510 9902 1 19 . 1 1 52 52 LEU C C 52 178.488 178.488 178.841 -0.353 25510 9903 1 19 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.953 0.427 25510 9904 1 19 . 1 1 52 52 LEU CB C 52 39.431 39.431 41.240 -1.809 25510 9905 1 19 . 1 1 52 52 LEU H H 52 8.529 8.529 8.198 0.331 25510 9906 1 19 . 1 1 53 53 ILE N N 53 119.478 119.478 117.840 1.638 25510 9907 1 19 . 1 1 53 53 ILE HA H 53 3.439 3.439 4.027 -0.588 25510 9908 1 19 . 1 1 53 53 ILE C C 53 178.798 178.798 178.020 0.778 25510 9909 1 19 . 1 1 53 53 ILE CA C 53 64.985 64.985 61.952 3.033 25510 9910 1 19 . 1 1 53 53 ILE CB C 53 37.653 37.653 36.647 1.006 25510 9911 1 19 . 1 1 53 53 ILE H H 53 8.069 8.069 7.531 0.538 25510 9912 1 19 . 1 1 54 54 GLN N N 54 119.904 119.904 116.260 3.644 25510 9913 1 19 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.060 -0.040 25510 9914 1 19 . 1 1 54 54 GLN C C 54 177.668 177.668 177.670 -0.002 25510 9915 1 19 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.144 1.516 25510 9916 1 19 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.009 0.480 25510 9917 1 19 . 1 1 54 54 GLN H H 54 8.382 8.382 7.596 0.786 25510 9918 1 19 . 1 1 55 55 SER N N 55 110.647 110.647 114.987 -4.340 25510 9919 1 19 . 1 1 55 55 SER HA H 55 4.353 4.353 4.163 0.190 25510 9920 1 19 . 1 1 55 55 SER C C 55 175.910 175.910 175.187 0.723 25510 9921 1 19 . 1 1 55 55 SER CA C 55 61.019 61.019 60.590 0.429 25510 9922 1 19 . 1 1 55 55 SER CB C 55 63.997 63.997 63.421 0.576 25510 9923 1 19 . 1 1 55 55 SER H H 55 7.623 7.623 7.471 0.152 25510 9924 1 19 . 1 1 56 56 ALA N N 56 118.590 118.590 119.008 -0.418 25510 9925 1 19 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.521 0.204 25510 9926 1 19 . 1 1 56 56 ALA C C 56 178.537 178.537 176.487 2.050 25510 9927 1 19 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.508 0.204 25510 9928 1 19 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.740 1.022 25510 9929 1 19 . 1 1 56 56 ALA H H 56 7.908 7.908 7.460 0.448 25510 9930 1 19 . 1 1 57 57 GLY N N 57 109.060 109.060 105.328 3.732 25510 9931 1 19 . 1 1 57 57 GLY C C 57 174.410 174.410 173.782 0.628 25510 9932 1 19 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.669 -0.438 25510 9933 1 19 . 1 1 57 57 GLY H H 57 7.996 7.996 7.353 0.643 25510 9934 1 19 . 1 1 58 58 ALA N N 58 123.460 123.460 122.941 0.519 25510 9935 1 19 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.084 -0.078 25510 9936 1 19 . 1 1 58 58 ALA C C 58 177.285 177.285 179.306 -2.021 25510 9937 1 19 . 1 1 58 58 ALA CA C 58 57.081 57.081 55.339 1.742 25510 9938 1 19 . 1 1 58 58 ALA CB C 58 19.206 19.206 19.132 0.074 25510 9939 1 19 . 1 1 58 58 ALA H H 58 8.710 8.710 8.485 0.225 25510 9940 1 19 . 1 1 59 59 ALA N N 59 118.918 118.918 120.631 -1.713 25510 9941 1 19 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.171 -1.224 25510 9942 1 19 . 1 1 59 59 ALA C C 59 181.017 181.017 179.832 1.185 25510 9943 1 19 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.878 0.515 25510 9944 1 19 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.665 0.365 25510 9945 1 19 . 1 1 59 59 ALA H H 59 8.272 8.272 8.611 -0.339 25510 9946 1 19 . 1 1 60 60 SER N N 60 112.905 112.905 114.792 -1.887 25510 9947 1 19 . 1 1 60 60 SER HA H 60 4.130 4.130 4.237 -0.107 25510 9948 1 19 . 1 1 60 60 SER C C 60 176.246 176.246 176.392 -0.146 25510 9949 1 19 . 1 1 60 60 SER CA C 60 60.601 60.601 60.833 -0.232 25510 9950 1 19 . 1 1 60 60 SER CB C 60 62.796 62.796 62.733 0.063 25510 9951 1 19 . 1 1 60 60 SER H H 60 8.218 8.218 7.968 0.250 25510 9952 1 19 . 1 1 61 61 ALA N N 61 121.207 121.207 123.751 -2.544 25510 9953 1 19 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.152 0.004 25510 9954 1 19 . 1 1 61 61 ALA C C 61 179.639 179.639 179.588 0.051 25510 9955 1 19 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.804 0.851 25510 9956 1 19 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.573 -0.024 25510 9957 1 19 . 1 1 61 61 ALA H H 61 8.583 8.583 7.774 0.809 25510 9958 1 19 . 1 1 62 62 VAL N N 62 116.024 116.024 117.163 -1.139 25510 9959 1 19 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.632 0.041 25510 9960 1 19 . 1 1 62 62 VAL C C 62 177.567 177.567 177.938 -0.371 25510 9961 1 19 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.188 1.715 25510 9962 1 19 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.736 -0.183 25510 9963 1 19 . 1 1 62 62 VAL H H 62 7.517 7.517 7.682 -0.165 25510 9964 1 19 . 1 1 63 63 THR N N 63 117.797 117.797 113.694 4.103 25510 9965 1 19 . 1 1 63 63 THR HA H 63 4.318 4.318 4.249 0.069 25510 9966 1 19 . 1 1 63 63 THR C C 63 176.800 176.800 175.974 0.826 25510 9967 1 19 . 1 1 63 63 THR CA C 63 68.590 68.590 65.500 3.090 25510 9968 1 19 . 1 1 63 63 THR CB C 63 67.818 67.818 69.156 -1.338 25510 9969 1 19 . 1 1 63 63 THR H H 63 8.007 8.007 7.742 0.265 25510 9970 1 19 . 1 1 64 64 LYS N N 64 121.300 121.300 121.316 -0.016 25510 9971 1 19 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.203 -0.306 25510 9972 1 19 . 1 1 64 64 LYS C C 64 178.721 178.721 178.520 0.201 25510 9973 1 19 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.673 1.269 25510 9974 1 19 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.643 2.595 25510 9975 1 19 . 1 1 64 64 LYS H H 64 8.771 8.771 7.774 0.997 25510 9976 1 19 . 1 1 65 65 ALA N N 65 121.115 121.115 122.233 -1.118 25510 9977 1 19 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.262 -0.210 25510 9978 1 19 . 1 1 65 65 ALA C C 65 178.759 178.759 179.572 -0.813 25510 9979 1 19 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.045 1.005 25510 9980 1 19 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.229 0.015 25510 9981 1 19 . 1 1 65 65 ALA H H 65 8.598 8.598 8.088 0.510 25510 9982 1 19 . 1 1 66 66 ILE N N 66 118.735 118.735 117.433 1.302 25510 9983 1 19 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.853 -0.204 25510 9984 1 19 . 1 1 66 66 ILE C C 66 177.252 177.252 177.905 -0.653 25510 9985 1 19 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.549 4.410 25510 9986 1 19 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.900 1.149 25510 9987 1 19 . 1 1 66 66 ILE H H 66 8.657 8.657 7.609 1.048 25510 9988 1 19 . 1 1 67 67 ASN N N 67 117.463 117.463 118.952 -1.489 25510 9989 1 19 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.828 -0.421 25510 9990 1 19 . 1 1 67 67 ASN C C 67 178.095 178.095 178.129 -0.034 25510 9991 1 19 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.433 0.136 25510 9992 1 19 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.633 -0.252 25510 9993 1 19 . 1 1 67 67 ASN H H 67 7.525 7.525 7.805 -0.280 25510 9994 1 19 . 1 1 68 68 ILE N N 68 120.886 120.886 120.241 0.645 25510 9995 1 19 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.757 -0.511 25510 9996 1 19 . 1 1 68 68 ILE C C 68 177.540 177.540 177.656 -0.116 25510 9997 1 19 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.156 1.060 25510 9998 1 19 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.286 -0.870 25510 9999 1 19 . 1 1 68 68 ILE H H 68 8.170 8.170 7.585 0.585 25510 10000 1 19 . 1 1 69 69 PHE N N 69 117.836 117.836 119.568 -1.732 25510 10001 1 19 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.264 0.134 25510 10002 1 19 . 1 1 69 69 PHE C C 69 178.279 178.279 177.072 1.207 25510 10003 1 19 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.069 1.768 25510 10004 1 19 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.487 -1.493 25510 10005 1 19 . 1 1 69 69 PHE H H 69 8.963 8.963 8.515 0.448 25510 10006 1 19 . 1 1 70 70 GLN N N 70 118.145 118.145 118.234 -0.089 25510 10007 1 19 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.933 0.209 25510 10008 1 19 . 1 1 70 70 GLN C C 70 180.057 180.057 177.786 2.271 25510 10009 1 19 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.321 1.466 25510 10010 1 19 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.567 -0.894 25510 10011 1 19 . 1 1 70 70 GLN H H 70 8.480 8.480 8.187 0.293 25510 10012 1 19 . 1 1 71 71 LYS N N 71 123.368 123.368 118.207 5.161 25510 10013 1 19 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.081 -0.156 25510 10014 1 19 . 1 1 71 71 LYS C C 71 178.755 178.755 177.898 0.857 25510 10015 1 19 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.534 0.968 25510 10016 1 19 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.262 -0.234 25510 10017 1 19 . 1 1 71 71 LYS H H 71 8.099 8.099 7.487 0.612 25510 10018 1 19 . 1 1 72 72 LEU N N 72 117.830 117.830 117.513 0.317 25510 10019 1 19 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.203 -0.211 25510 10020 1 19 . 1 1 72 72 LEU C C 72 175.462 175.462 177.063 -1.601 25510 10021 1 19 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.136 -1.067 25510 10022 1 19 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.547 -0.392 25510 10023 1 19 . 1 1 72 72 LEU H H 72 7.866 7.866 7.652 0.214 25510 10024 1 19 . 1 1 73 73 ASN N N 73 113.996 113.996 113.616 0.380 25510 10025 1 19 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.469 -0.130 25510 10026 1 19 . 1 1 73 73 ASN C C 73 175.753 175.753 174.988 0.765 25510 10027 1 19 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.437 1.037 25510 10028 1 19 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.233 -2.753 25510 10029 1 19 . 1 1 73 73 ASN H H 73 8.026 8.026 7.380 0.646 25510 10030 1 19 . 1 1 74 74 TYR N N 74 122.244 122.244 120.117 2.127 25510 10031 1 19 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.904 0.373 25510 10032 1 19 . 1 1 74 74 TYR C C 74 177.548 177.548 175.310 2.238 25510 10033 1 19 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.657 -2.598 25510 10034 1 19 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.408 -3.032 25510 10035 1 19 . 1 1 74 74 TYR H H 74 8.613 8.613 7.215 1.398 25510 10036 1 19 . 1 1 75 75 MET N N 75 117.619 117.619 120.653 -3.034 25510 10037 1 19 . 1 1 75 75 MET HA H 75 4.275 4.275 4.043 0.232 25510 10038 1 19 . 1 1 75 75 MET C C 75 178.716 178.716 175.993 2.723 25510 10039 1 19 . 1 1 75 75 MET CA C 75 57.231 57.231 59.307 -2.076 25510 10040 1 19 . 1 1 75 75 MET CB C 75 30.304 30.304 32.118 -1.815 25510 10041 1 19 . 1 1 75 75 MET H H 75 7.722 7.722 8.045 -0.323 25510 10042 1 19 . 1 1 76 76 HIS N N 76 117.559 117.559 119.800 -2.241 25510 10043 1 19 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.468 -0.001 25510 10044 1 19 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.195 -0.198 25510 10045 1 19 . 1 1 76 76 HIS CB C 76 27.437 27.437 30.178 -2.741 25510 10046 1 19 . 1 1 76 76 HIS H H 76 8.865 8.865 8.206 0.659 25510 10047 1 19 . 1 1 77 77 ILE N N 77 119.750 119.750 120.092 -0.342 25510 10048 1 19 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.571 0.013 25510 10049 1 19 . 1 1 77 77 ILE C C 77 177.168 177.168 178.154 -0.986 25510 10050 1 19 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.964 0.240 25510 10051 1 19 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.772 0.028 25510 10052 1 19 . 1 1 77 77 ILE H H 77 7.356 7.356 7.511 -0.155 25510 10053 1 19 . 1 1 78 78 ALA N N 78 120.662 120.662 121.733 -1.071 25510 10054 1 19 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.861 0.069 25510 10055 1 19 . 1 1 78 78 ALA C C 78 178.936 178.936 178.398 0.538 25510 10056 1 19 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.510 0.911 25510 10057 1 19 . 1 1 78 78 ALA CB C 78 18.987 18.987 17.971 1.016 25510 10058 1 19 . 1 1 78 78 ALA H H 78 8.054 8.054 8.308 -0.254 25510 10059 1 19 . 1 1 79 79 ASN N N 79 114.176 114.176 117.061 -2.885 25510 10060 1 19 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.632 -0.188 25510 10061 1 19 . 1 1 79 79 ASN C C 79 177.625 177.625 177.170 0.455 25510 10062 1 19 . 1 1 79 79 ASN CA C 79 56.051 56.051 55.830 0.221 25510 10063 1 19 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.399 -0.175 25510 10064 1 19 . 1 1 79 79 ASN H H 79 8.531 8.531 7.951 0.580 25510 10065 1 19 . 1 1 80 80 ALA N N 80 123.670 123.670 121.934 1.736 25510 10066 1 19 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.143 -0.015 25510 10067 1 19 . 1 1 80 80 ALA C C 80 180.727 180.727 179.545 1.182 25510 10068 1 19 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.658 0.504 25510 10069 1 19 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.443 -0.181 25510 10070 1 19 . 1 1 80 80 ALA H H 80 7.822 7.822 7.695 0.127 25510 10071 1 19 . 1 1 81 81 LEU N N 81 120.065 120.065 119.019 1.046 25510 10072 1 19 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.054 -0.062 25510 10073 1 19 . 1 1 81 81 LEU C C 81 177.550 177.550 179.454 -1.904 25510 10074 1 19 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.237 0.636 25510 10075 1 19 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.080 1.259 25510 10076 1 19 . 1 1 81 81 LEU H H 81 8.526 8.526 7.451 1.075 25510 10077 1 19 . 1 1 82 82 GLU N N 82 119.844 119.844 118.496 1.348 25510 10078 1 19 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.959 0.036 25510 10079 1 19 . 1 1 82 82 GLU C C 82 178.510 178.510 178.963 -0.453 25510 10080 1 19 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.212 0.460 25510 10081 1 19 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.847 -0.043 25510 10082 1 19 . 1 1 82 82 GLU H H 82 8.429 8.429 8.542 -0.113 25510 10083 1 19 . 1 1 83 83 GLU N N 83 118.585 118.585 119.979 -1.394 25510 10084 1 19 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.116 -0.062 25510 10085 1 19 . 1 1 83 83 GLU C C 83 179.516 179.516 178.622 0.894 25510 10086 1 19 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.438 1.466 25510 10087 1 19 . 1 1 83 83 GLU CB C 83 28.959 28.959 28.837 0.122 25510 10088 1 19 . 1 1 83 83 GLU H H 83 8.138 8.138 8.026 0.112 25510 10089 1 19 . 1 1 84 84 LYS N N 84 119.135 119.135 119.660 -0.525 25510 10090 1 19 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.026 0.094 25510 10091 1 19 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.986 0.722 25510 10092 1 19 . 1 1 84 84 LYS H H 84 8.690 8.690 7.932 0.758 25510 10093 1 19 . 1 1 85 85 LYS N N 85 118.012 118.012 119.166 -1.154 25510 10094 1 19 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.087 0.370 25510 10095 1 19 . 1 1 85 85 LYS H H 85 8.109 8.109 7.611 0.498 25510 10096 1 19 . 1 1 86 86 LYS N N 86 119.839 119.839 116.522 3.317 25510 10097 1 19 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.150 -0.232 25510 10098 1 19 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.053 4.245 25510 10099 1 19 . 1 1 86 86 LYS H H 86 8.577 8.577 7.683 0.894 25510 10100 1 19 . 1 1 87 87 GLU N N 87 119.674 119.674 119.505 0.169 25510 10101 1 19 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.106 -0.115 25510 10102 1 19 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.023 1.216 25510 10103 1 19 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.770 -0.658 25510 10104 1 19 . 1 1 87 87 GLU H H 87 8.402 8.402 7.788 0.614 25510 10105 1 19 . 1 1 88 88 ALA N N 88 121.869 121.869 122.244 -0.375 25510 10106 1 19 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.821 0.261 25510 10107 1 19 . 1 1 88 88 ALA C C 88 179.999 179.999 179.322 0.677 25510 10108 1 19 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.685 0.253 25510 10109 1 19 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.669 0.748 25510 10110 1 19 . 1 1 88 88 ALA H H 88 8.043 8.043 7.511 0.532 25510 10111 1 19 . 1 1 89 89 GLU N N 89 115.931 115.931 118.055 -2.124 25510 10112 1 19 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.856 0.148 25510 10113 1 19 . 1 1 89 89 GLU C C 89 178.454 178.454 179.585 -1.131 25510 10114 1 19 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.375 -0.981 25510 10115 1 19 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.281 -0.137 25510 10116 1 19 . 1 1 89 89 GLU H H 89 8.058 8.058 7.916 0.142 25510 10117 1 19 . 1 1 90 90 ARG N N 90 119.607 119.607 116.797 2.810 25510 10118 1 19 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.156 0.027 25510 10119 1 19 . 1 1 90 90 ARG C C 90 177.870 177.870 177.468 0.402 25510 10120 1 19 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.146 0.119 25510 10121 1 19 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.806 0.443 25510 10122 1 19 . 1 1 90 90 ARG H H 90 7.791 7.791 7.776 0.015 25510 10123 1 19 . 1 1 91 91 LYS N N 91 118.638 118.638 118.064 0.574 25510 10124 1 19 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.154 0.043 25510 10125 1 19 . 1 1 91 91 LYS C C 91 177.087 177.087 177.274 -0.187 25510 10126 1 19 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.263 -0.657 25510 10127 1 19 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.552 0.068 25510 10128 1 19 . 1 1 91 91 LYS H H 91 7.709 7.709 7.231 0.478 25510 10129 1 19 . 1 1 92 92 LEU N N 92 119.640 119.640 117.622 2.018 25510 10130 1 19 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.283 0.046 25510 10131 1 19 . 1 1 92 92 LEU C C 92 177.464 177.464 178.100 -0.636 25510 10132 1 19 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.329 0.289 25510 10133 1 19 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.279 0.076 25510 10134 1 19 . 1 1 92 92 LEU H H 92 7.766 7.766 7.570 0.196 25510 10135 1 19 . 1 1 93 93 MET N N 93 119.121 119.121 119.008 0.113 25510 10136 1 19 . 1 1 93 93 MET HA H 93 4.570 4.570 4.349 0.221 25510 10137 1 19 . 1 1 93 93 MET C C 93 176.224 176.224 176.485 -0.261 25510 10138 1 19 . 1 1 93 93 MET CA C 93 55.648 55.648 57.085 -1.437 25510 10139 1 19 . 1 1 93 93 MET CB C 93 32.978 32.978 33.280 -0.302 25510 10140 1 19 . 1 1 93 93 MET H H 93 7.973 7.973 7.515 0.458 25510 10141 1 19 . 1 1 94 94 THR N N 94 114.125 114.125 112.769 1.356 25510 10142 1 19 . 1 1 94 94 THR HA H 94 4.375 4.375 4.542 -0.167 25510 10143 1 19 . 1 1 94 94 THR C C 94 173.550 173.550 172.981 0.569 25510 10144 1 19 . 1 1 94 94 THR CA C 94 61.682 61.682 60.995 0.687 25510 10145 1 19 . 1 1 94 94 THR CB C 94 70.027 70.027 70.935 -0.908 25510 10146 1 19 . 1 1 94 94 THR H H 94 8.025 8.025 7.648 0.377 25510 10147 1 20 . 1 1 2 2 GLU N N 2 119.768 119.768 121.047 -1.279 25510 10148 1 20 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.087 -0.067 25510 10149 1 20 . 1 1 2 2 GLU C C 2 178.535 178.535 177.675 0.860 25510 10150 1 20 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.391 1.358 25510 10151 1 20 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.255 -0.148 25510 10152 1 20 . 1 1 2 2 GLU H H 2 8.426 8.426 8.817 -0.391 25510 10153 1 20 . 1 1 3 3 SER N N 3 113.553 113.553 115.356 -1.803 25510 10154 1 20 . 1 1 3 3 SER HA H 3 4.235 4.235 4.189 0.046 25510 10155 1 20 . 1 1 3 3 SER C C 3 176.578 176.578 176.645 -0.067 25510 10156 1 20 . 1 1 3 3 SER CA C 3 61.448 61.448 61.296 0.152 25510 10157 1 20 . 1 1 3 3 SER CB C 3 62.746 62.746 62.267 0.479 25510 10158 1 20 . 1 1 3 3 SER H H 3 8.151 8.151 8.520 -0.369 25510 10159 1 20 . 1 1 4 4 GLU N N 4 122.599 122.599 122.346 0.253 25510 10160 1 20 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.116 -0.039 25510 10161 1 20 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.563 0.853 25510 10162 1 20 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.587 -1.326 25510 10163 1 20 . 1 1 4 4 GLU H H 4 8.051 8.051 7.575 0.476 25510 10164 1 20 . 1 1 5 5 TYR N N 5 119.991 119.991 120.824 -0.833 25510 10165 1 20 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.312 0.160 25510 10166 1 20 . 1 1 5 5 TYR CA C 5 60.913 60.913 60.998 -0.085 25510 10167 1 20 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.610 -0.657 25510 10168 1 20 . 1 1 5 5 TYR H H 5 8.339 8.339 7.603 0.736 25510 10169 1 20 . 1 1 6 6 ARG N N 6 120.010 120.010 117.599 2.411 25510 10170 1 20 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.903 -0.144 25510 10171 1 20 . 1 1 6 6 ARG C C 6 177.365 177.365 178.089 -0.724 25510 10172 1 20 . 1 1 6 6 ARG CA C 6 60.661 60.661 58.939 1.722 25510 10173 1 20 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.733 0.605 25510 10174 1 20 . 1 1 6 6 ARG H H 6 8.202 8.202 8.288 -0.086 25510 10175 1 20 . 1 1 7 7 GLU N N 7 116.287 116.287 121.443 -5.156 25510 10176 1 20 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.066 -0.016 25510 10177 1 20 . 1 1 7 7 GLU C C 7 178.544 178.544 178.534 0.010 25510 10178 1 20 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.269 0.145 25510 10179 1 20 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.942 -0.919 25510 10180 1 20 . 1 1 7 7 GLU H H 7 8.165 8.165 7.847 0.318 25510 10181 1 20 . 1 1 8 8 MET N N 8 116.181 116.181 117.067 -0.886 25510 10182 1 20 . 1 1 8 8 MET HA H 8 4.411 4.411 4.204 0.207 25510 10183 1 20 . 1 1 8 8 MET C C 8 177.616 177.616 178.173 -0.557 25510 10184 1 20 . 1 1 8 8 MET CA C 8 59.067 59.067 58.916 0.151 25510 10185 1 20 . 1 1 8 8 MET CB C 8 32.089 32.089 32.508 -0.419 25510 10186 1 20 . 1 1 8 8 MET H H 8 8.168 8.168 7.729 0.439 25510 10187 1 20 . 1 1 9 9 LEU N N 9 122.056 122.056 120.193 1.863 25510 10188 1 20 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.952 0.029 25510 10189 1 20 . 1 1 9 9 LEU C C 9 177.211 177.211 177.801 -0.590 25510 10190 1 20 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.164 1.337 25510 10191 1 20 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.716 0.582 25510 10192 1 20 . 1 1 9 9 LEU H H 9 7.883 7.883 7.263 0.620 25510 10193 1 20 . 1 1 10 10 LEU N N 10 117.952 117.952 116.993 0.959 25510 10194 1 20 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.871 0.083 25510 10195 1 20 . 1 1 10 10 LEU C C 10 176.132 176.132 178.972 -2.840 25510 10196 1 20 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.104 1.288 25510 10197 1 20 . 1 1 10 10 LEU CB C 10 43.732 43.732 42.105 1.627 25510 10198 1 20 . 1 1 10 10 LEU H H 10 8.011 8.011 7.173 0.838 25510 10199 1 20 . 1 1 11 11 LEU N N 11 116.301 116.301 118.236 -1.935 25510 10200 1 20 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.083 0.067 25510 10201 1 20 . 1 1 11 11 LEU C C 11 179.384 179.384 178.940 0.444 25510 10202 1 20 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.679 0.261 25510 10203 1 20 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.601 1.066 25510 10204 1 20 . 1 1 11 11 LEU H H 11 8.916 8.916 7.877 1.039 25510 10205 1 20 . 1 1 12 12 THR N N 12 112.429 112.429 116.082 -3.653 25510 10206 1 20 . 1 1 12 12 THR HA H 12 4.148 4.148 3.882 0.266 25510 10207 1 20 . 1 1 12 12 THR C C 12 174.055 174.055 175.984 -1.929 25510 10208 1 20 . 1 1 12 12 THR CA C 12 65.127 65.127 66.248 -1.121 25510 10209 1 20 . 1 1 12 12 THR CB C 12 68.421 68.421 68.408 0.013 25510 10210 1 20 . 1 1 12 12 THR H H 12 7.753 7.753 7.807 -0.054 25510 10211 1 20 . 1 1 13 13 GLY N N 13 124.320 124.320 108.226 16.094 25510 10212 1 20 . 1 1 13 13 GLY C C 13 173.259 173.259 175.462 -2.203 25510 10213 1 20 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.915 0.519 25510 10214 1 20 . 1 1 13 13 GLY H H 13 7.019 7.019 7.899 -0.880 25510 10215 1 20 . 1 1 14 14 LEU N N 14 121.922 121.922 121.746 0.176 25510 10216 1 20 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.097 -0.181 25510 10217 1 20 . 1 1 14 14 LEU C C 14 178.842 178.842 179.129 -0.287 25510 10218 1 20 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.835 0.215 25510 10219 1 20 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.171 0.655 25510 10220 1 20 . 1 1 14 14 LEU H H 14 8.941 8.941 7.586 1.355 25510 10221 1 20 . 1 1 15 15 ASP N N 15 115.417 115.417 115.351 0.066 25510 10222 1 20 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.610 -0.111 25510 10223 1 20 . 1 1 15 15 ASP C C 15 175.905 175.905 176.549 -0.644 25510 10224 1 20 . 1 1 15 15 ASP CA C 15 54.805 54.805 56.069 -1.264 25510 10225 1 20 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.583 -2.757 25510 10226 1 20 . 1 1 15 15 ASP H H 15 9.012 9.012 7.990 1.022 25510 10227 1 20 . 1 1 16 16 HIS N N 16 114.840 114.840 116.691 -1.851 25510 10228 1 20 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.699 0.035 25510 10229 1 20 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.325 -0.753 25510 10230 1 20 . 1 1 16 16 HIS CB C 16 29.222 29.222 31.608 -2.386 25510 10231 1 20 . 1 1 16 16 HIS H H 16 7.807 7.807 7.682 0.125 25510 10232 1 20 . 1 1 17 17 ILE N N 17 111.347 111.347 115.901 -4.554 25510 10233 1 20 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.531 0.430 25510 10234 1 20 . 1 1 17 17 ILE C C 17 176.154 176.154 175.670 0.484 25510 10235 1 20 . 1 1 17 17 ILE CA C 17 59.512 59.512 60.255 -0.743 25510 10236 1 20 . 1 1 17 17 ILE CB C 17 39.674 39.674 39.714 -0.040 25510 10237 1 20 . 1 1 17 17 ILE H H 17 7.041 7.041 7.958 -0.917 25510 10238 1 20 . 1 1 18 18 THR N N 18 114.804 114.804 116.311 -1.507 25510 10239 1 20 . 1 1 18 18 THR HA H 18 4.384 4.384 4.618 -0.234 25510 10240 1 20 . 1 1 18 18 THR C C 18 174.991 174.991 176.078 -1.087 25510 10241 1 20 . 1 1 18 18 THR CA C 18 61.063 61.063 61.380 -0.317 25510 10242 1 20 . 1 1 18 18 THR CB C 18 71.227 71.227 70.323 0.904 25510 10243 1 20 . 1 1 18 18 THR H H 18 8.672 8.672 8.323 0.349 25510 10244 1 20 . 1 1 19 19 GLU N N 19 119.385 119.385 124.604 -5.219 25510 10245 1 20 . 1 1 19 19 GLU HA H 19 4.032 4.032 3.932 0.100 25510 10246 1 20 . 1 1 19 19 GLU CA C 19 59.872 59.872 59.852 0.020 25510 10247 1 20 . 1 1 19 19 GLU CB C 19 28.951 28.951 28.761 0.191 25510 10248 1 20 . 1 1 19 19 GLU H H 19 8.886 8.886 8.920 -0.034 25510 10249 1 20 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.061 0.029 25510 10250 1 20 . 1 1 20 20 GLU C C 20 179.664 179.664 178.951 0.713 25510 10251 1 20 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.024 0.571 25510 10252 1 20 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.817 0.226 25510 10253 1 20 . 1 1 21 21 GLU N N 21 120.346 120.346 119.344 1.002 25510 10254 1 20 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.207 0.063 25510 10255 1 20 . 1 1 21 21 GLU C C 21 179.079 179.079 179.006 0.073 25510 10256 1 20 . 1 1 21 21 GLU CA C 21 58.518 58.518 58.141 0.377 25510 10257 1 20 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.462 0.423 25510 10258 1 20 . 1 1 21 21 GLU H H 21 7.611 7.611 7.626 -0.015 25510 10259 1 20 . 1 1 22 22 LEU N N 22 122.508 122.508 121.276 1.232 25510 10260 1 20 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.189 -0.057 25510 10261 1 20 . 1 1 22 22 LEU C C 22 178.698 178.698 178.111 0.587 25510 10262 1 20 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.133 -0.272 25510 10263 1 20 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.819 -0.099 25510 10264 1 20 . 1 1 22 22 LEU H H 22 9.016 9.016 7.934 1.082 25510 10265 1 20 . 1 1 23 23 LYS N N 23 119.162 119.162 118.428 0.734 25510 10266 1 20 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.041 -0.055 25510 10267 1 20 . 1 1 23 23 LYS C C 23 179.624 179.624 179.088 0.536 25510 10268 1 20 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.974 0.717 25510 10269 1 20 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.164 0.230 25510 10270 1 20 . 1 1 23 23 LYS H H 23 7.777 7.777 7.666 0.111 25510 10271 1 20 . 1 1 24 24 ARG N N 24 119.502 119.502 118.883 0.619 25510 10272 1 20 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.087 0.114 25510 10273 1 20 . 1 1 24 24 ARG C C 24 178.260 178.260 178.778 -0.518 25510 10274 1 20 . 1 1 24 24 ARG CA C 24 59.232 59.232 58.794 0.438 25510 10275 1 20 . 1 1 24 24 ARG CB C 24 29.794 29.794 29.758 0.036 25510 10276 1 20 . 1 1 24 24 ARG H H 24 7.397 7.397 7.570 -0.173 25510 10277 1 20 . 1 1 25 25 PHE N N 25 120.567 120.567 122.430 -1.863 25510 10278 1 20 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.482 -0.614 25510 10279 1 20 . 1 1 25 25 PHE C C 25 177.302 177.302 177.063 0.239 25510 10280 1 20 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.292 0.889 25510 10281 1 20 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.410 0.133 25510 10282 1 20 . 1 1 25 25 PHE H H 25 8.798 8.798 8.371 0.427 25510 10283 1 20 . 1 1 26 26 LYS N N 26 117.901 117.901 118.032 -0.131 25510 10284 1 20 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.743 -0.069 25510 10285 1 20 . 1 1 26 26 LYS C C 26 177.118 177.118 179.257 -2.139 25510 10286 1 20 . 1 1 26 26 LYS CA C 26 60.962 60.962 58.657 2.305 25510 10287 1 20 . 1 1 26 26 LYS CB C 26 33.039 33.039 31.704 1.335 25510 10288 1 20 . 1 1 26 26 LYS H H 26 8.841 8.841 7.963 0.878 25510 10289 1 20 . 1 1 27 27 TYR N N 27 118.480 118.480 120.534 -2.054 25510 10290 1 20 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.159 -0.003 25510 10291 1 20 . 1 1 27 27 TYR C C 27 178.460 178.460 176.979 1.481 25510 10292 1 20 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.379 0.078 25510 10293 1 20 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.291 -0.544 25510 10294 1 20 . 1 1 27 27 TYR H H 27 7.645 7.645 7.541 0.104 25510 10295 1 20 . 1 1 28 28 PHE N N 28 117.525 117.525 117.355 0.170 25510 10296 1 20 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.066 0.180 25510 10297 1 20 . 1 1 28 28 PHE C C 28 178.827 178.827 176.911 1.916 25510 10298 1 20 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.624 0.178 25510 10299 1 20 . 1 1 28 28 PHE CB C 28 40.077 40.077 38.983 1.094 25510 10300 1 20 . 1 1 28 28 PHE H H 28 7.741 7.741 7.565 0.176 25510 10301 1 20 . 1 1 29 29 ALA N N 29 123.372 123.372 120.198 3.174 25510 10302 1 20 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.145 -0.172 25510 10303 1 20 . 1 1 29 29 ALA C C 29 178.340 178.340 178.096 0.244 25510 10304 1 20 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.804 1.518 25510 10305 1 20 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.083 -1.879 25510 10306 1 20 . 1 1 29 29 ALA H H 29 8.840 8.840 7.760 1.080 25510 10307 1 20 . 1 1 30 30 LEU N N 30 117.039 117.039 120.085 -3.046 25510 10308 1 20 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.918 -0.879 25510 10309 1 20 . 1 1 30 30 LEU C C 30 178.373 178.373 176.897 1.476 25510 10310 1 20 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.530 4.814 25510 10311 1 20 . 1 1 30 30 LEU CB C 30 41.927 41.927 39.695 2.232 25510 10312 1 20 . 1 1 30 30 LEU H H 30 7.443 7.443 7.580 -0.137 25510 10313 1 20 . 1 1 31 31 THR N N 31 125.874 125.874 115.189 10.685 25510 10314 1 20 . 1 1 31 31 THR HA H 31 4.228 4.228 4.082 0.146 25510 10315 1 20 . 1 1 31 31 THR C C 31 176.282 176.282 175.356 0.926 25510 10316 1 20 . 1 1 31 31 THR CA C 31 63.328 63.328 63.544 -0.216 25510 10317 1 20 . 1 1 31 31 THR CB C 31 69.170 69.170 69.527 -0.357 25510 10318 1 20 . 1 1 31 31 THR H H 31 7.014 7.014 7.915 -0.901 25510 10319 1 20 . 1 1 32 32 GLU N N 32 120.558 120.558 120.081 0.477 25510 10320 1 20 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.212 -0.060 25510 10321 1 20 . 1 1 32 32 GLU C C 32 175.968 175.968 176.423 -0.455 25510 10322 1 20 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.425 0.356 25510 10323 1 20 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.052 2.009 25510 10324 1 20 . 1 1 32 32 GLU H H 32 7.808 7.808 8.508 -0.700 25510 10325 1 20 . 1 1 33 33 PHE N N 33 114.045 114.045 117.752 -3.707 25510 10326 1 20 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.485 -0.015 25510 10327 1 20 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.649 -1.151 25510 10328 1 20 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.237 1.306 25510 10329 1 20 . 1 1 33 33 PHE H H 33 8.390 8.390 7.563 0.827 25510 10330 1 20 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.958 0.312 25510 10331 1 20 . 1 1 34 34 GLN C C 34 174.516 174.516 175.146 -0.630 25510 10332 1 20 . 1 1 34 34 GLN CA C 34 56.154 56.154 55.742 0.412 25510 10333 1 20 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.567 -0.246 25510 10334 1 20 . 1 1 34 34 GLN H H 34 7.968 7.968 8.098 -0.130 25510 10335 1 20 . 1 1 35 35 ILE N N 35 119.653 119.653 119.212 0.441 25510 10336 1 20 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.786 0.585 25510 10337 1 20 . 1 1 35 35 ILE C C 35 173.592 173.592 176.018 -2.426 25510 10338 1 20 . 1 1 35 35 ILE CA C 35 59.410 59.410 62.103 -2.693 25510 10339 1 20 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.817 2.940 25510 10340 1 20 . 1 1 35 35 ILE H H 35 7.455 7.455 8.161 -0.706 25510 10341 1 20 . 1 1 36 36 ALA N N 36 126.668 126.668 129.214 -2.546 25510 10342 1 20 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.374 -0.106 25510 10343 1 20 . 1 1 36 36 ALA C C 36 178.784 178.784 177.578 1.206 25510 10344 1 20 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.000 0.182 25510 10345 1 20 . 1 1 36 36 ALA CB C 36 19.265 19.265 20.120 -0.855 25510 10346 1 20 . 1 1 36 36 ALA H H 36 8.238 8.238 8.300 -0.062 25510 10347 1 20 . 1 1 37 37 ARG N N 37 123.068 123.068 122.470 0.598 25510 10348 1 20 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.073 -0.257 25510 10349 1 20 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.788 1.050 25510 10350 1 20 . 1 1 37 37 ARG CB C 37 29.932 29.932 29.978 -0.046 25510 10351 1 20 . 1 1 37 37 ARG H H 37 8.820 8.820 8.900 -0.080 25510 10352 1 20 . 1 1 38 38 SER N N 38 112.348 112.348 114.230 -1.882 25510 10353 1 20 . 1 1 38 38 SER HA H 38 4.178 4.178 4.239 -0.061 25510 10354 1 20 . 1 1 38 38 SER C C 38 178.315 178.315 175.932 2.383 25510 10355 1 20 . 1 1 38 38 SER CA C 38 60.772 60.772 61.289 -0.517 25510 10356 1 20 . 1 1 38 38 SER CB C 38 62.061 62.061 62.227 -0.166 25510 10357 1 20 . 1 1 38 38 SER H H 38 8.517 8.517 8.461 0.056 25510 10358 1 20 . 1 1 39 39 THR N N 39 117.311 117.311 119.233 -1.922 25510 10359 1 20 . 1 1 39 39 THR HA H 39 4.025 4.025 4.106 -0.081 25510 10360 1 20 . 1 1 39 39 THR C C 39 175.203 175.203 175.497 -0.294 25510 10361 1 20 . 1 1 39 39 THR CA C 39 64.904 64.904 65.293 -0.390 25510 10362 1 20 . 1 1 39 39 THR CB C 39 68.726 68.726 68.360 0.366 25510 10363 1 20 . 1 1 39 39 THR H H 39 7.231 7.231 8.128 -0.897 25510 10364 1 20 . 1 1 40 40 LEU N N 40 118.713 118.713 119.858 -1.145 25510 10365 1 20 . 1 1 40 40 LEU HA H 40 4.031 4.031 4.072 -0.041 25510 10366 1 20 . 1 1 40 40 LEU C C 40 177.743 177.743 177.660 0.083 25510 10367 1 20 . 1 1 40 40 LEU CA C 40 56.063 56.063 56.584 -0.521 25510 10368 1 20 . 1 1 40 40 LEU CB C 40 42.294 42.294 40.997 1.297 25510 10369 1 20 . 1 1 40 40 LEU H H 40 7.552 7.552 7.600 -0.048 25510 10370 1 20 . 1 1 41 41 ASP N N 41 119.468 119.468 119.817 -0.349 25510 10371 1 20 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.480 0.017 25510 10372 1 20 . 1 1 41 41 ASP C C 41 177.111 177.111 177.629 -0.518 25510 10373 1 20 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.913 -0.318 25510 10374 1 20 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.525 -1.571 25510 10375 1 20 . 1 1 41 41 ASP H H 41 8.153 8.153 7.936 0.217 25510 10376 1 20 . 1 1 42 42 VAL N N 42 111.960 111.960 112.955 -0.995 25510 10377 1 20 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.737 -0.409 25510 10378 1 20 . 1 1 42 42 VAL C C 42 175.994 175.994 176.281 -0.287 25510 10379 1 20 . 1 1 42 42 VAL CA C 42 60.742 60.742 61.306 -0.564 25510 10380 1 20 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.906 0.835 25510 10381 1 20 . 1 1 42 42 VAL H H 42 7.293 7.293 7.578 -0.285 25510 10382 1 20 . 1 1 43 43 ALA N N 43 124.575 124.575 124.329 0.246 25510 10383 1 20 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.868 0.458 25510 10384 1 20 . 1 1 43 43 ALA C C 43 177.972 177.972 178.963 -0.991 25510 10385 1 20 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.902 -2.824 25510 10386 1 20 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.185 1.266 25510 10387 1 20 . 1 1 43 43 ALA H H 43 7.626 7.626 7.915 -0.289 25510 10388 1 20 . 1 1 44 44 ASP N N 44 119.810 119.810 117.537 2.273 25510 10389 1 20 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.262 -0.202 25510 10390 1 20 . 1 1 44 44 ASP C C 44 179.346 179.346 177.819 1.527 25510 10391 1 20 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.742 1.582 25510 10392 1 20 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.133 -8.201 25510 10393 1 20 . 1 1 44 44 ASP H H 44 8.002 8.002 8.760 -0.758 25510 10394 1 20 . 1 1 45 45 ARG N N 45 123.564 123.564 118.402 5.162 25510 10395 1 20 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.276 -0.507 25510 10396 1 20 . 1 1 45 45 ARG C C 45 177.492 177.492 177.814 -0.322 25510 10397 1 20 . 1 1 45 45 ARG CA C 45 60.809 60.809 57.991 2.818 25510 10398 1 20 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.248 2.766 25510 10399 1 20 . 1 1 45 45 ARG H H 45 8.611 8.611 7.552 1.059 25510 10400 1 20 . 1 1 46 46 THR N N 46 118.315 118.315 113.612 4.703 25510 10401 1 20 . 1 1 46 46 THR HA H 46 4.051 4.051 4.380 -0.329 25510 10402 1 20 . 1 1 46 46 THR C C 46 179.947 179.947 175.674 4.273 25510 10403 1 20 . 1 1 46 46 THR CA C 46 59.605 59.605 65.008 -5.403 25510 10404 1 20 . 1 1 46 46 THR CB C 46 32.375 32.375 69.644 -37.269 25510 10405 1 20 . 1 1 46 46 THR H H 46 8.182 8.182 7.565 0.617 25510 10406 1 20 . 1 1 47 47 GLU N N 47 118.691 118.691 121.403 -2.712 25510 10407 1 20 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.206 -0.184 25510 10408 1 20 . 1 1 47 47 GLU C C 47 179.758 179.758 178.864 0.894 25510 10409 1 20 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.564 -0.365 25510 10410 1 20 . 1 1 47 47 GLU H H 47 8.117 8.117 7.846 0.271 25510 10411 1 20 . 1 1 48 48 LEU N N 48 120.020 120.020 121.001 -0.981 25510 10412 1 20 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.947 -0.188 25510 10413 1 20 . 1 1 48 48 LEU C C 48 177.474 177.474 178.903 -1.429 25510 10414 1 20 . 1 1 48 48 LEU CA C 48 58.574 58.574 57.854 0.720 25510 10415 1 20 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.697 -0.095 25510 10416 1 20 . 1 1 48 48 LEU H H 48 8.355 8.355 8.467 -0.112 25510 10417 1 20 . 1 1 49 49 ALA N N 49 120.164 120.164 121.114 -0.950 25510 10418 1 20 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.933 -0.244 25510 10419 1 20 . 1 1 49 49 ALA C C 49 178.552 178.552 179.393 -0.841 25510 10420 1 20 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.088 1.041 25510 10421 1 20 . 1 1 49 49 ALA CB C 49 17.636 17.636 18.182 -0.546 25510 10422 1 20 . 1 1 49 49 ALA H H 49 8.224 8.224 7.967 0.257 25510 10423 1 20 . 1 1 50 50 ASP N N 50 115.824 115.824 117.823 -1.999 25510 10424 1 20 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.352 0.066 25510 10425 1 20 . 1 1 50 50 ASP C C 50 179.108 179.108 178.467 0.641 25510 10426 1 20 . 1 1 50 50 ASP CA C 50 57.921 57.921 58.143 -0.222 25510 10427 1 20 . 1 1 50 50 ASP CB C 50 39.763 39.763 40.889 -1.126 25510 10428 1 20 . 1 1 50 50 ASP H H 50 8.041 8.041 7.657 0.384 25510 10429 1 20 . 1 1 51 51 HIS N N 51 117.866 117.866 119.961 -2.095 25510 10430 1 20 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.244 0.221 25510 10431 1 20 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.670 -1.180 25510 10432 1 20 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.381 -2.316 25510 10433 1 20 . 1 1 51 51 HIS H H 51 8.541 8.541 8.331 0.210 25510 10434 1 20 . 1 1 52 52 LEU N N 52 120.279 120.279 118.170 2.109 25510 10435 1 20 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.960 -0.334 25510 10436 1 20 . 1 1 52 52 LEU C C 52 178.488 178.488 178.415 0.073 25510 10437 1 20 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.955 0.426 25510 10438 1 20 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.802 -1.371 25510 10439 1 20 . 1 1 52 52 LEU H H 52 8.529 8.529 7.687 0.842 25510 10440 1 20 . 1 1 53 53 ILE N N 53 119.478 119.478 118.634 0.844 25510 10441 1 20 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.792 -0.353 25510 10442 1 20 . 1 1 53 53 ILE C C 53 178.798 178.798 178.624 0.174 25510 10443 1 20 . 1 1 53 53 ILE CA C 53 64.985 64.985 64.499 0.486 25510 10444 1 20 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.293 0.360 25510 10445 1 20 . 1 1 53 53 ILE H H 53 8.069 8.069 7.453 0.616 25510 10446 1 20 . 1 1 54 54 GLN N N 54 119.904 119.904 116.506 3.398 25510 10447 1 20 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.008 0.012 25510 10448 1 20 . 1 1 54 54 GLN C C 54 177.668 177.668 177.299 0.369 25510 10449 1 20 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.666 0.994 25510 10450 1 20 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.286 0.203 25510 10451 1 20 . 1 1 54 54 GLN H H 54 8.382 8.382 7.731 0.651 25510 10452 1 20 . 1 1 55 55 SER N N 55 110.647 110.647 114.648 -4.001 25510 10453 1 20 . 1 1 55 55 SER HA H 55 4.353 4.353 4.240 0.113 25510 10454 1 20 . 1 1 55 55 SER C C 55 175.910 175.910 175.013 0.897 25510 10455 1 20 . 1 1 55 55 SER CA C 55 61.019 61.019 60.239 0.780 25510 10456 1 20 . 1 1 55 55 SER CB C 55 63.997 63.997 63.367 0.630 25510 10457 1 20 . 1 1 55 55 SER H H 55 7.623 7.623 7.606 0.017 25510 10458 1 20 . 1 1 56 56 ALA N N 56 118.590 118.590 119.548 -0.958 25510 10459 1 20 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.516 0.209 25510 10460 1 20 . 1 1 56 56 ALA C C 56 178.537 178.537 176.379 2.158 25510 10461 1 20 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.333 0.379 25510 10462 1 20 . 1 1 56 56 ALA CB C 56 21.762 21.762 21.284 0.478 25510 10463 1 20 . 1 1 56 56 ALA H H 56 7.908 7.908 7.437 0.471 25510 10464 1 20 . 1 1 57 57 GLY N N 57 109.060 109.060 106.471 2.589 25510 10465 1 20 . 1 1 57 57 GLY C C 57 174.410 174.410 174.132 0.278 25510 10466 1 20 . 1 1 57 57 GLY CA C 57 44.231 44.231 45.146 -0.915 25510 10467 1 20 . 1 1 57 57 GLY H H 57 7.996 7.996 7.364 0.632 25510 10468 1 20 . 1 1 58 58 ALA N N 58 123.460 123.460 123.261 0.199 25510 10469 1 20 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.150 -0.144 25510 10470 1 20 . 1 1 58 58 ALA C C 58 177.285 177.285 179.324 -2.039 25510 10471 1 20 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.621 2.460 25510 10472 1 20 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.959 0.247 25510 10473 1 20 . 1 1 58 58 ALA H H 58 8.710 8.710 8.470 0.240 25510 10474 1 20 . 1 1 59 59 ALA N N 59 118.918 118.918 120.130 -1.212 25510 10475 1 20 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.178 -1.231 25510 10476 1 20 . 1 1 59 59 ALA C C 59 181.017 181.017 179.643 1.374 25510 10477 1 20 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.718 0.675 25510 10478 1 20 . 1 1 59 59 ALA CB C 59 18.030 18.030 17.948 0.082 25510 10479 1 20 . 1 1 59 59 ALA H H 59 8.272 8.272 8.565 -0.293 25510 10480 1 20 . 1 1 60 60 SER N N 60 112.905 112.905 114.647 -1.742 25510 10481 1 20 . 1 1 60 60 SER HA H 60 4.130 4.130 4.246 -0.116 25510 10482 1 20 . 1 1 60 60 SER C C 60 176.246 176.246 176.718 -0.472 25510 10483 1 20 . 1 1 60 60 SER CA C 60 60.601 60.601 61.756 -1.155 25510 10484 1 20 . 1 1 60 60 SER CB C 60 62.796 62.796 62.783 0.013 25510 10485 1 20 . 1 1 60 60 SER H H 60 8.218 8.218 8.371 -0.153 25510 10486 1 20 . 1 1 61 61 ALA N N 61 121.207 121.207 123.982 -2.775 25510 10487 1 20 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.115 0.041 25510 10488 1 20 . 1 1 61 61 ALA C C 61 179.639 179.639 179.269 0.370 25510 10489 1 20 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.813 0.842 25510 10490 1 20 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.260 0.290 25510 10491 1 20 . 1 1 61 61 ALA H H 61 8.583 8.583 7.374 1.209 25510 10492 1 20 . 1 1 62 62 VAL N N 62 116.024 116.024 117.338 -1.314 25510 10493 1 20 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.656 0.017 25510 10494 1 20 . 1 1 62 62 VAL C C 62 177.567 177.567 177.889 -0.322 25510 10495 1 20 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.830 1.073 25510 10496 1 20 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.448 0.105 25510 10497 1 20 . 1 1 62 62 VAL H H 62 7.517 7.517 7.927 -0.410 25510 10498 1 20 . 1 1 63 63 THR N N 63 117.797 117.797 112.219 5.578 25510 10499 1 20 . 1 1 63 63 THR HA H 63 4.318 4.318 4.190 0.128 25510 10500 1 20 . 1 1 63 63 THR C C 63 176.800 176.800 176.235 0.565 25510 10501 1 20 . 1 1 63 63 THR CA C 63 68.590 68.590 65.519 3.071 25510 10502 1 20 . 1 1 63 63 THR CB C 63 67.818 67.818 69.079 -1.261 25510 10503 1 20 . 1 1 63 63 THR H H 63 8.007 8.007 7.621 0.386 25510 10504 1 20 . 1 1 64 64 LYS N N 64 121.300 121.300 121.680 -0.380 25510 10505 1 20 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.474 -0.577 25510 10506 1 20 . 1 1 64 64 LYS C C 64 178.721 178.721 178.958 -0.237 25510 10507 1 20 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.896 1.046 25510 10508 1 20 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.841 2.397 25510 10509 1 20 . 1 1 64 64 LYS H H 64 8.771 8.771 7.743 1.028 25510 10510 1 20 . 1 1 65 65 ALA N N 65 121.115 121.115 122.271 -1.156 25510 10511 1 20 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.224 -0.172 25510 10512 1 20 . 1 1 65 65 ALA C C 65 178.759 178.759 179.604 -0.845 25510 10513 1 20 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.033 1.017 25510 10514 1 20 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.243 0.001 25510 10515 1 20 . 1 1 65 65 ALA H H 65 8.598 8.598 8.516 0.082 25510 10516 1 20 . 1 1 66 66 ILE N N 66 118.735 118.735 117.299 1.436 25510 10517 1 20 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.854 -0.205 25510 10518 1 20 . 1 1 66 66 ILE C C 66 177.252 177.252 177.971 -0.719 25510 10519 1 20 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.831 4.128 25510 10520 1 20 . 1 1 66 66 ILE CB C 66 38.049 38.049 37.156 0.894 25510 10521 1 20 . 1 1 66 66 ILE H H 66 8.657 8.657 7.620 1.037 25510 10522 1 20 . 1 1 67 67 ASN N N 67 117.463 117.463 118.913 -1.450 25510 10523 1 20 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.900 -0.493 25510 10524 1 20 . 1 1 67 67 ASN C C 67 178.095 178.095 178.191 -0.096 25510 10525 1 20 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.620 -0.051 25510 10526 1 20 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.515 -0.134 25510 10527 1 20 . 1 1 67 67 ASN H H 67 7.525 7.525 7.913 -0.388 25510 10528 1 20 . 1 1 68 68 ILE N N 68 120.886 120.886 121.017 -0.131 25510 10529 1 20 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.757 -0.511 25510 10530 1 20 . 1 1 68 68 ILE C C 68 177.540 177.540 177.620 -0.080 25510 10531 1 20 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.206 1.011 25510 10532 1 20 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.280 -0.864 25510 10533 1 20 . 1 1 68 68 ILE H H 68 8.170 8.170 7.712 0.458 25510 10534 1 20 . 1 1 69 69 PHE N N 69 117.836 117.836 119.756 -1.920 25510 10535 1 20 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.182 0.216 25510 10536 1 20 . 1 1 69 69 PHE C C 69 178.279 178.279 177.212 1.067 25510 10537 1 20 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.782 1.055 25510 10538 1 20 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.333 -1.339 25510 10539 1 20 . 1 1 69 69 PHE H H 69 8.963 8.963 8.657 0.306 25510 10540 1 20 . 1 1 70 70 GLN N N 70 118.145 118.145 118.445 -0.300 25510 10541 1 20 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.838 0.304 25510 10542 1 20 . 1 1 70 70 GLN C C 70 180.057 180.057 177.694 2.363 25510 10543 1 20 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.573 1.213 25510 10544 1 20 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.328 -0.655 25510 10545 1 20 . 1 1 70 70 GLN H H 70 8.480 8.480 8.135 0.345 25510 10546 1 20 . 1 1 71 71 LYS N N 71 123.368 123.368 118.614 4.754 25510 10547 1 20 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.086 -0.161 25510 10548 1 20 . 1 1 71 71 LYS C C 71 178.755 178.755 177.769 0.986 25510 10549 1 20 . 1 1 71 71 LYS CA C 71 59.502 59.502 57.898 1.604 25510 10550 1 20 . 1 1 71 71 LYS CB C 71 32.028 32.028 31.936 0.091 25510 10551 1 20 . 1 1 71 71 LYS H H 71 8.099 8.099 7.515 0.584 25510 10552 1 20 . 1 1 72 72 LEU N N 72 117.830 117.830 118.597 -0.767 25510 10553 1 20 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.295 -0.303 25510 10554 1 20 . 1 1 72 72 LEU C C 72 175.462 175.462 177.838 -2.376 25510 10555 1 20 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.221 -1.152 25510 10556 1 20 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.848 -0.693 25510 10557 1 20 . 1 1 72 72 LEU H H 72 7.866 7.866 7.488 0.378 25510 10558 1 20 . 1 1 73 73 ASN N N 73 113.996 113.996 116.150 -2.154 25510 10559 1 20 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.408 -0.069 25510 10560 1 20 . 1 1 73 73 ASN C C 73 175.753 175.753 174.391 1.362 25510 10561 1 20 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.809 0.665 25510 10562 1 20 . 1 1 73 73 ASN CB C 73 37.479 37.479 40.839 -3.360 25510 10563 1 20 . 1 1 73 73 ASN H H 73 8.026 8.026 7.630 0.396 25510 10564 1 20 . 1 1 74 74 TYR N N 74 122.244 122.244 119.133 3.111 25510 10565 1 20 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.791 0.486 25510 10566 1 20 . 1 1 74 74 TYR C C 74 177.548 177.548 175.004 2.544 25510 10567 1 20 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.579 -2.520 25510 10568 1 20 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.139 -2.763 25510 10569 1 20 . 1 1 74 74 TYR H H 74 8.613 8.613 7.250 1.363 25510 10570 1 20 . 1 1 75 75 MET N N 75 117.619 117.619 122.440 -4.821 25510 10571 1 20 . 1 1 75 75 MET HA H 75 4.275 4.275 3.985 0.290 25510 10572 1 20 . 1 1 75 75 MET C C 75 178.716 178.716 176.305 2.411 25510 10573 1 20 . 1 1 75 75 MET CA C 75 57.231 57.231 59.379 -2.148 25510 10574 1 20 . 1 1 75 75 MET CB C 75 30.304 30.304 32.463 -2.159 25510 10575 1 20 . 1 1 75 75 MET H H 75 7.722 7.722 8.117 -0.395 25510 10576 1 20 . 1 1 76 76 HIS N N 76 117.559 117.559 118.316 -0.757 25510 10577 1 20 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.456 0.011 25510 10578 1 20 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.618 -0.621 25510 10579 1 20 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.867 -2.430 25510 10580 1 20 . 1 1 76 76 HIS H H 76 8.865 8.865 8.319 0.546 25510 10581 1 20 . 1 1 77 77 ILE N N 77 119.750 119.750 119.503 0.247 25510 10582 1 20 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.721 -0.137 25510 10583 1 20 . 1 1 77 77 ILE C C 77 177.168 177.168 178.086 -0.918 25510 10584 1 20 . 1 1 77 77 ILE CA C 77 64.204 64.204 64.090 0.114 25510 10585 1 20 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.802 -0.002 25510 10586 1 20 . 1 1 77 77 ILE H H 77 7.356 7.356 7.539 -0.183 25510 10587 1 20 . 1 1 78 78 ALA N N 78 120.662 120.662 121.833 -1.171 25510 10588 1 20 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.908 0.022 25510 10589 1 20 . 1 1 78 78 ALA C C 78 178.936 178.936 178.491 0.445 25510 10590 1 20 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.596 0.825 25510 10591 1 20 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.040 0.948 25510 10592 1 20 . 1 1 78 78 ALA H H 78 8.054 8.054 8.554 -0.500 25510 10593 1 20 . 1 1 79 79 ASN N N 79 114.176 114.176 117.353 -3.177 25510 10594 1 20 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.652 -0.208 25510 10595 1 20 . 1 1 79 79 ASN C C 79 177.625 177.625 177.105 0.520 25510 10596 1 20 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.145 -0.094 25510 10597 1 20 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.336 -0.112 25510 10598 1 20 . 1 1 79 79 ASN H H 79 8.531 8.531 8.017 0.514 25510 10599 1 20 . 1 1 80 80 ALA N N 80 123.670 123.670 121.448 2.222 25510 10600 1 20 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.135 -0.007 25510 10601 1 20 . 1 1 80 80 ALA C C 80 180.727 180.727 179.620 1.107 25510 10602 1 20 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.600 0.562 25510 10603 1 20 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.520 -0.259 25510 10604 1 20 . 1 1 80 80 ALA H H 80 7.822 7.822 7.721 0.101 25510 10605 1 20 . 1 1 81 81 LEU N N 81 120.065 120.065 119.470 0.595 25510 10606 1 20 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.006 -0.014 25510 10607 1 20 . 1 1 81 81 LEU C C 81 177.550 177.550 179.176 -1.626 25510 10608 1 20 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.894 -0.021 25510 10609 1 20 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.831 0.508 25510 10610 1 20 . 1 1 81 81 LEU H H 81 8.526 8.526 7.588 0.938 25510 10611 1 20 . 1 1 82 82 GLU N N 82 119.844 119.844 118.650 1.194 25510 10612 1 20 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.987 0.008 25510 10613 1 20 . 1 1 82 82 GLU C C 82 178.510 178.510 178.638 -0.128 25510 10614 1 20 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.146 0.525 25510 10615 1 20 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.817 -0.013 25510 10616 1 20 . 1 1 82 82 GLU H H 82 8.429 8.429 8.317 0.112 25510 10617 1 20 . 1 1 83 83 GLU N N 83 118.585 118.585 119.532 -0.947 25510 10618 1 20 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.184 -0.130 25510 10619 1 20 . 1 1 83 83 GLU C C 83 179.516 179.516 178.462 1.054 25510 10620 1 20 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.248 1.656 25510 10621 1 20 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.096 -0.137 25510 10622 1 20 . 1 1 83 83 GLU H H 83 8.138 8.138 8.014 0.124 25510 10623 1 20 . 1 1 84 84 LYS N N 84 119.135 119.135 119.692 -0.557 25510 10624 1 20 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.071 0.049 25510 10625 1 20 . 1 1 84 84 LYS CA C 84 59.708 59.708 59.033 0.675 25510 10626 1 20 . 1 1 84 84 LYS H H 84 8.690 8.690 7.919 0.771 25510 10627 1 20 . 1 1 85 85 LYS N N 85 118.012 118.012 119.465 -1.453 25510 10628 1 20 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.078 0.379 25510 10629 1 20 . 1 1 85 85 LYS H H 85 8.109 8.109 7.534 0.575 25510 10630 1 20 . 1 1 86 86 LYS N N 86 119.839 119.839 116.171 3.668 25510 10631 1 20 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.114 -0.196 25510 10632 1 20 . 1 1 86 86 LYS CA C 86 63.298 63.298 58.925 4.372 25510 10633 1 20 . 1 1 86 86 LYS H H 86 8.577 8.577 7.639 0.938 25510 10634 1 20 . 1 1 87 87 GLU N N 87 119.674 119.674 119.157 0.517 25510 10635 1 20 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.162 -0.171 25510 10636 1 20 . 1 1 87 87 GLU CA C 87 59.239 59.239 57.847 1.392 25510 10637 1 20 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.578 -0.466 25510 10638 1 20 . 1 1 87 87 GLU H H 87 8.402 8.402 7.693 0.709 25510 10639 1 20 . 1 1 88 88 ALA N N 88 121.869 121.869 122.433 -0.564 25510 10640 1 20 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.803 0.279 25510 10641 1 20 . 1 1 88 88 ALA C C 88 179.999 179.999 179.231 0.768 25510 10642 1 20 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.615 0.323 25510 10643 1 20 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.737 0.680 25510 10644 1 20 . 1 1 88 88 ALA H H 88 8.043 8.043 7.479 0.564 25510 10645 1 20 . 1 1 89 89 GLU N N 89 115.931 115.931 117.924 -1.993 25510 10646 1 20 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.861 0.143 25510 10647 1 20 . 1 1 89 89 GLU C C 89 178.454 178.454 179.578 -1.124 25510 10648 1 20 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.307 -0.913 25510 10649 1 20 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.310 -0.166 25510 10650 1 20 . 1 1 89 89 GLU H H 89 8.058 8.058 7.859 0.199 25510 10651 1 20 . 1 1 90 90 ARG N N 90 119.607 119.607 117.132 2.475 25510 10652 1 20 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.192 -0.009 25510 10653 1 20 . 1 1 90 90 ARG C C 90 177.870 177.870 178.553 -0.683 25510 10654 1 20 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.230 0.035 25510 10655 1 20 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.794 0.455 25510 10656 1 20 . 1 1 90 90 ARG H H 90 7.791 7.791 7.820 -0.029 25510 10657 1 20 . 1 1 91 91 LYS N N 91 118.638 118.638 118.671 -0.033 25510 10658 1 20 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.156 0.041 25510 10659 1 20 . 1 1 91 91 LYS C C 91 177.087 177.087 176.583 0.504 25510 10660 1 20 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.061 -0.455 25510 10661 1 20 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.376 0.244 25510 10662 1 20 . 1 1 91 91 LYS H H 91 7.709 7.709 7.645 0.064 25510 10663 1 20 . 1 1 92 92 LEU N N 92 119.640 119.640 117.815 1.825 25510 10664 1 20 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.430 -0.101 25510 10665 1 20 . 1 1 92 92 LEU C C 92 177.464 177.464 177.172 0.292 25510 10666 1 20 . 1 1 92 92 LEU CA C 92 55.618 55.618 54.267 1.351 25510 10667 1 20 . 1 1 92 92 LEU CB C 92 42.355 42.355 41.703 0.652 25510 10668 1 20 . 1 1 92 92 LEU H H 92 7.766 7.766 7.300 0.466 25510 10669 1 20 . 1 1 93 93 MET N N 93 119.121 119.121 117.866 1.255 25510 10670 1 20 . 1 1 93 93 MET HA H 93 4.570 4.570 4.504 0.066 25510 10671 1 20 . 1 1 93 93 MET C C 93 176.224 176.224 176.581 -0.357 25510 10672 1 20 . 1 1 93 93 MET CA C 93 55.648 55.648 55.686 -0.038 25510 10673 1 20 . 1 1 93 93 MET CB C 93 32.978 32.978 33.157 -0.179 25510 10674 1 20 . 1 1 93 93 MET H H 93 7.973 7.973 7.459 0.514 25510 10675 1 20 . 1 1 94 94 THR N N 94 114.125 114.125 114.071 0.054 25510 10676 1 20 . 1 1 94 94 THR HA H 94 4.375 4.375 4.545 -0.170 25510 10677 1 20 . 1 1 94 94 THR C C 94 173.550 173.550 173.590 -0.040 25510 10678 1 20 . 1 1 94 94 THR CA C 94 61.682 61.682 60.722 0.960 25510 10679 1 20 . 1 1 94 94 THR CB C 94 70.027 70.027 70.353 -0.326 25510 10680 1 20 . 1 1 94 94 THR H H 94 8.025 8.025 7.319 0.706 25510 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 91 3.139 -0.074 3.155 25510 2 1 1 "Average Difference" HA 95 0.270 0.037 0.269 25510 3 1 1 "Average Difference" C 81 1.228 -0.063 1.234 25510 4 1 1 "Average Difference" CA 91 1.405 -0.431 1.344 25510 5 1 1 "Average Difference" CB 88 4.268 0.554 4.256 25510 6 1 1 "Average Difference" HN 92 0.593 -0.261 0.535 25510 7 1 2 "Average Difference" N 91 3.145 -0.097 3.161 25510 8 1 2 "Average Difference" HA 95 0.263 0.033 0.262 25510 9 1 2 "Average Difference" C 81 1.175 -0.098 1.178 25510 10 1 2 "Average Difference" CA 91 1.449 -0.362 1.410 25510 11 1 2 "Average Difference" CB 88 4.185 0.575 4.169 25510 12 1 2 "Average Difference" HN 92 0.578 -0.249 0.524 25510 13 1 3 "Average Difference" N 91 3.052 -0.019 3.069 25510 14 1 3 "Average Difference" HA 95 0.281 0.035 0.280 25510 15 1 3 "Average Difference" C 81 1.210 -0.085 1.215 25510 16 1 3 "Average Difference" CA 91 1.473 -0.452 1.409 25510 17 1 3 "Average Difference" CB 88 4.197 0.579 4.180 25510 18 1 3 "Average Difference" HN 92 0.598 -0.281 0.531 25510 19 1 4 "Average Difference" N 91 3.034 -0.108 3.049 25510 20 1 4 "Average Difference" HA 95 0.286 0.031 0.286 25510 21 1 4 "Average Difference" C 81 1.227 -0.070 1.232 25510 22 1 4 "Average Difference" CA 91 1.525 -0.389 1.483 25510 23 1 4 "Average Difference" CB 88 4.204 0.564 4.189 25510 24 1 4 "Average Difference" HN 92 0.567 -0.256 0.509 25510 25 1 5 "Average Difference" N 91 2.935 0.105 2.949 25510 26 1 5 "Average Difference" HA 95 0.264 0.040 0.262 25510 27 1 5 "Average Difference" C 81 1.247 -0.044 1.254 25510 28 1 5 "Average Difference" CA 91 1.427 -0.333 1.395 25510 29 1 5 "Average Difference" CB 88 4.181 0.553 4.168 25510 30 1 5 "Average Difference" HN 92 0.556 -0.230 0.509 25510 31 1 6 "Average Difference" N 91 3.172 -0.100 3.188 25510 32 1 6 "Average Difference" HA 95 0.283 0.038 0.282 25510 33 1 6 "Average Difference" C 81 1.230 -0.092 1.235 25510 34 1 6 "Average Difference" CA 91 1.460 -0.394 1.414 25510 35 1 6 "Average Difference" CB 88 4.272 0.567 4.259 25510 36 1 6 "Average Difference" HN 92 0.597 -0.267 0.537 25510 37 1 7 "Average Difference" N 91 3.116 -0.169 3.129 25510 38 1 7 "Average Difference" HA 95 0.282 0.042 0.280 25510 39 1 7 "Average Difference" C 81 1.215 -0.117 1.217 25510 40 1 7 "Average Difference" CA 91 1.524 -0.418 1.474 25510 41 1 7 "Average Difference" CB 88 4.201 0.544 4.190 25510 42 1 7 "Average Difference" HN 92 0.611 -0.263 0.554 25510 43 1 8 "Average Difference" N 91 2.933 -0.162 2.945 25510 44 1 8 "Average Difference" HA 95 0.275 0.031 0.275 25510 45 1 8 "Average Difference" C 81 1.217 -0.138 1.217 25510 46 1 8 "Average Difference" CA 91 1.446 -0.374 1.404 25510 47 1 8 "Average Difference" CB 88 4.143 0.614 4.120 25510 48 1 8 "Average Difference" HN 92 0.616 -0.278 0.552 25510 49 1 9 "Average Difference" N 91 3.103 -0.126 3.117 25510 50 1 9 "Average Difference" HA 95 0.272 0.034 0.271 25510 51 1 9 "Average Difference" C 81 1.237 -0.100 1.240 25510 52 1 9 "Average Difference" CA 91 1.438 -0.409 1.386 25510 53 1 9 "Average Difference" CB 88 4.226 0.590 4.209 25510 54 1 9 "Average Difference" HN 92 0.574 -0.246 0.521 25510 55 1 10 "Average Difference" N 91 2.891 0.027 2.907 25510 56 1 10 "Average Difference" HA 95 0.272 0.039 0.270 25510 57 1 10 "Average Difference" C 81 1.190 -0.093 1.194 25510 58 1 10 "Average Difference" CA 91 1.439 -0.403 1.389 25510 59 1 10 "Average Difference" CB 88 4.166 0.568 4.151 25510 60 1 10 "Average Difference" HN 92 0.592 -0.251 0.539 25510 61 1 11 "Average Difference" N 91 2.960 -0.108 2.974 25510 62 1 11 "Average Difference" HA 95 0.278 0.033 0.278 25510 63 1 11 "Average Difference" C 81 1.219 -0.136 1.219 25510 64 1 11 "Average Difference" CA 91 1.444 -0.443 1.382 25510 65 1 11 "Average Difference" CB 88 4.238 0.578 4.222 25510 66 1 11 "Average Difference" HN 92 0.559 -0.241 0.507 25510 67 1 12 "Average Difference" N 91 3.105 -0.092 3.121 25510 68 1 12 "Average Difference" HA 95 0.282 0.014 0.283 25510 69 1 12 "Average Difference" C 81 1.177 -0.100 1.180 25510 70 1 12 "Average Difference" CA 91 1.404 -0.331 1.372 25510 71 1 12 "Average Difference" CB 88 4.193 0.540 4.181 25510 72 1 12 "Average Difference" HN 92 0.593 -0.279 0.526 25510 73 1 13 "Average Difference" N 91 2.996 -0.007 3.012 25510 74 1 13 "Average Difference" HA 95 0.277 0.023 0.278 25510 75 1 13 "Average Difference" C 81 1.220 -0.069 1.226 25510 76 1 13 "Average Difference" CA 91 1.502 -0.382 1.461 25510 77 1 13 "Average Difference" CB 88 4.200 0.552 4.187 25510 78 1 13 "Average Difference" HN 92 0.575 -0.242 0.524 25510 79 1 14 "Average Difference" N 91 3.090 -0.041 3.107 25510 80 1 14 "Average Difference" HA 95 0.262 0.036 0.261 25510 81 1 14 "Average Difference" C 81 1.178 -0.105 1.181 25510 82 1 14 "Average Difference" CA 91 1.426 -0.348 1.391 25510 83 1 14 "Average Difference" CB 88 4.185 0.558 4.172 25510 84 1 14 "Average Difference" HN 92 0.577 -0.260 0.518 25510 85 1 15 "Average Difference" N 91 3.124 -0.039 3.141 25510 86 1 15 "Average Difference" HA 95 0.273 0.034 0.273 25510 87 1 15 "Average Difference" C 81 1.205 -0.120 1.207 25510 88 1 15 "Average Difference" CA 91 1.428 -0.456 1.361 25510 89 1 15 "Average Difference" CB 88 4.248 0.565 4.235 25510 90 1 15 "Average Difference" HN 92 0.610 -0.232 0.568 25510 91 1 16 "Average Difference" N 91 3.231 -0.179 3.244 25510 92 1 16 "Average Difference" HA 95 0.272 0.030 0.272 25510 93 1 16 "Average Difference" C 81 1.236 -0.073 1.242 25510 94 1 16 "Average Difference" CA 91 1.428 -0.394 1.380 25510 95 1 16 "Average Difference" CB 88 4.244 0.612 4.224 25510 96 1 16 "Average Difference" HN 92 0.577 -0.233 0.531 25510 97 1 17 "Average Difference" N 91 2.921 -0.045 2.937 25510 98 1 17 "Average Difference" HA 95 0.279 0.034 0.279 25510 99 1 17 "Average Difference" C 81 1.196 0.002 1.203 25510 100 1 17 "Average Difference" CA 91 1.467 -0.363 1.429 25510 101 1 17 "Average Difference" CB 88 4.173 0.531 4.163 25510 102 1 17 "Average Difference" HN 92 0.550 -0.255 0.491 25510 103 1 18 "Average Difference" N 91 3.127 -0.077 3.144 25510 104 1 18 "Average Difference" HA 95 0.276 0.022 0.277 25510 105 1 18 "Average Difference" C 81 1.218 -0.084 1.223 25510 106 1 18 "Average Difference" CA 91 1.446 -0.417 1.393 25510 107 1 18 "Average Difference" CB 88 4.254 0.595 4.237 25510 108 1 18 "Average Difference" HN 92 0.586 -0.231 0.541 25510 109 1 19 "Average Difference" N 91 3.039 -0.045 3.055 25510 110 1 19 "Average Difference" HA 95 0.284 0.046 0.282 25510 111 1 19 "Average Difference" C 81 1.256 -0.081 1.261 25510 112 1 19 "Average Difference" CA 91 1.529 -0.412 1.480 25510 113 1 19 "Average Difference" CB 88 4.213 0.550 4.201 25510 114 1 19 "Average Difference" HN 92 0.571 -0.247 0.518 25510 115 1 20 "Average Difference" N 91 3.014 0.015 3.031 25510 116 1 20 "Average Difference" HA 95 0.290 0.049 0.287 25510 117 1 20 "Average Difference" C 81 1.246 -0.109 1.249 25510 118 1 20 "Average Difference" CA 91 1.476 -0.364 1.438 25510 119 1 20 "Average Difference" CB 88 4.230 0.558 4.217 25510 120 1 20 "Average Difference" HN 92 0.593 -0.256 0.538 25510 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 25510 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 119.768 119.768 122.262 -2.494 25510 2 1 . 1 1 2 2 GLU HA H 2 4.020 4.020 4.133 -0.113 25510 3 1 . 1 1 2 2 GLU C C 2 178.535 178.535 177.771 0.764 25510 4 1 . 1 1 2 2 GLU CA C 2 60.749 60.749 59.374 1.375 25510 5 1 . 1 1 2 2 GLU CB C 2 29.107 29.107 29.354 -0.247 25510 6 1 . 1 1 2 2 GLU H H 2 8.426 8.426 8.912 -0.486 25510 7 1 . 1 1 3 3 SER N N 3 113.553 113.553 115.401 -1.848 25510 8 1 . 1 1 3 3 SER HA H 3 4.235 4.235 4.216 0.019 25510 9 1 . 1 1 3 3 SER C C 3 176.578 176.578 176.556 0.022 25510 10 1 . 1 1 3 3 SER CA C 3 61.448 61.448 61.435 0.013 25510 11 1 . 1 1 3 3 SER CB C 3 62.746 62.746 62.522 0.224 25510 12 1 . 1 1 3 3 SER H H 3 8.151 8.151 8.428 -0.277 25510 13 1 . 1 1 4 4 GLU N N 4 122.599 122.599 121.788 0.811 25510 14 1 . 1 1 4 4 GLU HA H 4 4.077 4.077 4.137 -0.060 25510 15 1 . 1 1 4 4 GLU CA C 4 59.416 59.416 58.792 0.624 25510 16 1 . 1 1 4 4 GLU CB C 4 28.261 28.261 29.420 -1.159 25510 17 1 . 1 1 4 4 GLU H H 4 8.051 8.051 7.897 0.154 25510 18 1 . 1 1 5 5 TYR N N 5 119.991 119.991 120.415 -0.424 25510 19 1 . 1 1 5 5 TYR HA H 5 4.472 4.472 4.250 0.222 25510 20 1 . 1 1 5 5 TYR CA C 5 60.913 60.913 61.082 -0.169 25510 21 1 . 1 1 5 5 TYR CB C 5 37.953 37.953 38.618 -0.665 25510 22 1 . 1 1 5 5 TYR H H 5 8.339 8.339 7.639 0.700 25510 23 1 . 1 1 6 6 ARG N N 6 120.010 120.010 118.133 1.877 25510 24 1 . 1 1 6 6 ARG HA H 6 3.759 3.759 3.840 -0.081 25510 25 1 . 1 1 6 6 ARG C C 6 177.365 177.365 178.069 -0.704 25510 26 1 . 1 1 6 6 ARG CA C 6 60.661 60.661 59.065 1.596 25510 27 1 . 1 1 6 6 ARG CB C 6 30.338 30.338 29.728 0.610 25510 28 1 . 1 1 6 6 ARG H H 6 8.202 8.202 8.021 0.181 25510 29 1 . 1 1 7 7 GLU N N 7 116.287 116.287 120.832 -4.545 25510 30 1 . 1 1 7 7 GLU HA H 7 4.050 4.050 4.007 0.043 25510 31 1 . 1 1 7 7 GLU C C 7 178.544 178.544 178.505 0.039 25510 32 1 . 1 1 7 7 GLU CA C 7 59.414 59.414 59.228 0.186 25510 33 1 . 1 1 7 7 GLU CB C 7 29.023 29.023 29.683 -0.660 25510 34 1 . 1 1 7 7 GLU H H 7 8.165 8.165 7.968 0.197 25510 35 1 . 1 1 8 8 MET N N 8 116.181 116.181 118.601 -2.420 25510 36 1 . 1 1 8 8 MET HA H 8 4.411 4.411 4.156 0.255 25510 37 1 . 1 1 8 8 MET C C 8 177.616 177.616 177.975 -0.359 25510 38 1 . 1 1 8 8 MET CA C 8 59.067 59.067 58.181 0.886 25510 39 1 . 1 1 8 8 MET CB C 8 32.089 32.089 32.376 -0.287 25510 40 1 . 1 1 8 8 MET H H 8 8.168 8.168 7.769 0.399 25510 41 1 . 1 1 9 9 LEU N N 9 122.056 122.056 119.159 2.897 25510 42 1 . 1 1 9 9 LEU HA H 9 3.981 3.981 3.904 0.077 25510 43 1 . 1 1 9 9 LEU C C 9 177.211 177.211 178.042 -0.831 25510 44 1 . 1 1 9 9 LEU CA C 9 58.501 58.501 57.317 1.184 25510 45 1 . 1 1 9 9 LEU CB C 9 42.298 42.298 41.502 0.795 25510 46 1 . 1 1 9 9 LEU H H 9 7.883 7.883 7.322 0.561 25510 47 1 . 1 1 10 10 LEU N N 10 117.952 117.952 117.319 0.633 25510 48 1 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.886 0.068 25510 49 1 . 1 1 10 10 LEU C C 10 176.132 176.132 179.109 -2.977 25510 50 1 . 1 1 10 10 LEU CA C 10 58.392 58.392 57.163 1.229 25510 51 1 . 1 1 10 10 LEU CB C 10 43.732 43.732 41.940 1.792 25510 52 1 . 1 1 10 10 LEU H H 10 8.011 8.011 7.348 0.663 25510 53 1 . 1 1 11 11 LEU N N 11 116.301 116.301 117.887 -1.586 25510 54 1 . 1 1 11 11 LEU HA H 11 4.150 4.150 4.015 0.135 25510 55 1 . 1 1 11 11 LEU C C 11 179.384 179.384 178.644 0.740 25510 56 1 . 1 1 11 11 LEU CA C 11 57.940 57.940 57.931 0.009 25510 57 1 . 1 1 11 11 LEU CB C 11 41.667 41.667 40.833 0.834 25510 58 1 . 1 1 11 11 LEU H H 11 8.916 8.916 8.026 0.890 25510 59 1 . 1 1 12 12 THR N N 12 112.429 112.429 113.585 -1.156 25510 60 1 . 1 1 12 12 THR HA H 12 4.148 4.148 3.980 0.168 25510 61 1 . 1 1 12 12 THR C C 12 174.055 174.055 175.595 -1.540 25510 62 1 . 1 1 12 12 THR CA C 12 65.127 65.127 65.286 -0.159 25510 63 1 . 1 1 12 12 THR CB C 12 68.421 68.421 68.227 0.194 25510 64 1 . 1 1 12 12 THR H H 12 7.753 7.753 7.861 -0.108 25510 65 1 . 1 1 13 13 GLY N N 13 124.320 124.320 108.368 15.952 25510 66 1 . 1 1 13 13 GLY C C 13 173.259 173.259 175.717 -2.458 25510 67 1 . 1 1 13 13 GLY CA C 13 46.434 46.434 45.239 1.195 25510 68 1 . 1 1 13 13 GLY H H 13 7.019 7.019 7.768 -0.749 25510 69 1 . 1 1 14 14 LEU N N 14 121.922 121.922 122.194 -0.272 25510 70 1 . 1 1 14 14 LEU HA H 14 3.916 3.916 4.111 -0.195 25510 71 1 . 1 1 14 14 LEU C C 14 178.842 178.842 178.574 0.268 25510 72 1 . 1 1 14 14 LEU CA C 14 58.050 58.050 57.577 0.473 25510 73 1 . 1 1 14 14 LEU CB C 14 41.826 41.826 41.216 0.610 25510 74 1 . 1 1 14 14 LEU H H 14 8.941 8.941 7.545 1.396 25510 75 1 . 1 1 15 15 ASP N N 15 115.417 115.417 116.275 -0.858 25510 76 1 . 1 1 15 15 ASP HA H 15 4.499 4.499 4.569 -0.070 25510 77 1 . 1 1 15 15 ASP C C 15 175.905 175.905 176.496 -0.591 25510 78 1 . 1 1 15 15 ASP CA C 15 54.805 54.805 55.467 -0.662 25510 79 1 . 1 1 15 15 ASP CB C 15 37.826 37.826 40.831 -3.005 25510 80 1 . 1 1 15 15 ASP H H 15 9.012 9.012 7.894 1.118 25510 81 1 . 1 1 16 16 HIS N N 16 114.840 114.840 116.689 -1.849 25510 82 1 . 1 1 16 16 HIS HA H 16 4.734 4.734 4.680 0.054 25510 83 1 . 1 1 16 16 HIS CA C 16 55.572 55.572 56.003 -0.431 25510 84 1 . 1 1 16 16 HIS CB C 16 29.222 29.222 30.820 -1.598 25510 85 1 . 1 1 16 16 HIS H H 16 7.807 7.807 7.877 -0.070 25510 86 1 . 1 1 17 17 ILE N N 17 111.347 111.347 115.165 -3.818 25510 87 1 . 1 1 17 17 ILE HA H 17 4.961 4.961 4.679 0.282 25510 88 1 . 1 1 17 17 ILE C C 17 176.154 176.154 175.185 0.969 25510 89 1 . 1 1 17 17 ILE CA C 17 59.512 59.512 59.289 0.223 25510 90 1 . 1 1 17 17 ILE CB C 17 39.674 39.674 40.572 -0.898 25510 91 1 . 1 1 17 17 ILE H H 17 7.041 7.041 7.483 -0.442 25510 92 1 . 1 1 18 18 THR N N 18 114.804 114.804 113.035 1.769 25510 93 1 . 1 1 18 18 THR HA H 18 4.384 4.384 4.492 -0.108 25510 94 1 . 1 1 18 18 THR C C 18 174.991 174.991 175.793 -0.802 25510 95 1 . 1 1 18 18 THR CA C 18 61.063 61.063 60.782 0.281 25510 96 1 . 1 1 18 18 THR CB C 18 71.227 71.227 70.459 0.768 25510 97 1 . 1 1 18 18 THR H H 18 8.672 8.672 8.433 0.239 25510 98 1 . 1 1 19 19 GLU N N 19 119.385 119.385 121.734 -2.349 25510 99 1 . 1 1 19 19 GLU HA H 19 4.032 4.032 4.003 0.029 25510 100 1 . 1 1 19 19 GLU CA C 19 59.872 59.872 60.005 -0.133 25510 101 1 . 1 1 19 19 GLU CB C 19 28.951 28.951 29.101 -0.150 25510 102 1 . 1 1 19 19 GLU H H 19 8.886 8.886 8.899 -0.014 25510 103 1 . 1 1 20 20 GLU HA H 20 4.090 4.090 4.073 0.017 25510 104 1 . 1 1 20 20 GLU C C 20 179.664 179.664 179.018 0.646 25510 105 1 . 1 1 20 20 GLU CA C 20 59.595 59.595 59.081 0.514 25510 106 1 . 1 1 20 20 GLU CB C 20 29.043 29.043 28.966 0.077 25510 107 1 . 1 1 21 21 GLU N N 21 120.346 120.346 119.329 1.017 25510 108 1 . 1 1 21 21 GLU HA H 21 4.270 4.270 4.211 0.059 25510 109 1 . 1 1 21 21 GLU C C 21 179.079 179.079 178.873 0.206 25510 110 1 . 1 1 21 21 GLU CA C 21 58.518 58.518 57.987 0.531 25510 111 1 . 1 1 21 21 GLU CB C 21 29.885 29.885 29.404 0.481 25510 112 1 . 1 1 21 21 GLU H H 21 7.611 7.611 7.692 -0.081 25510 113 1 . 1 1 22 22 LEU N N 22 122.508 122.508 121.228 1.280 25510 114 1 . 1 1 22 22 LEU HA H 22 4.132 4.132 4.120 0.012 25510 115 1 . 1 1 22 22 LEU C C 22 178.698 178.698 178.529 0.169 25510 116 1 . 1 1 22 22 LEU CA C 22 57.861 57.861 58.249 -0.388 25510 117 1 . 1 1 22 22 LEU CB C 22 41.720 41.720 41.865 -0.145 25510 118 1 . 1 1 22 22 LEU H H 22 9.016 9.016 7.904 1.112 25510 119 1 . 1 1 23 23 LYS N N 23 119.162 119.162 117.711 1.451 25510 120 1 . 1 1 23 23 LYS HA H 23 3.986 3.986 4.086 -0.100 25510 121 1 . 1 1 23 23 LYS C C 23 179.624 179.624 179.165 0.459 25510 122 1 . 1 1 23 23 LYS CA C 23 60.691 60.691 59.539 1.152 25510 123 1 . 1 1 23 23 LYS CB C 23 32.394 32.394 32.045 0.349 25510 124 1 . 1 1 23 23 LYS H H 23 7.777 7.777 7.791 -0.014 25510 125 1 . 1 1 24 24 ARG N N 24 119.502 119.502 119.908 -0.406 25510 126 1 . 1 1 24 24 ARG HA H 24 4.201 4.201 4.164 0.037 25510 127 1 . 1 1 24 24 ARG C C 24 178.260 178.260 178.793 -0.534 25510 128 1 . 1 1 24 24 ARG CA C 24 59.232 59.232 59.231 0.001 25510 129 1 . 1 1 24 24 ARG CB C 24 29.794 29.794 30.176 -0.382 25510 130 1 . 1 1 24 24 ARG H H 24 7.397 7.397 7.530 -0.133 25510 131 1 . 1 1 25 25 PHE N N 25 120.567 120.567 121.079 -0.512 25510 132 1 . 1 1 25 25 PHE HA H 25 3.868 3.868 4.351 -0.483 25510 133 1 . 1 1 25 25 PHE C C 25 177.302 177.302 177.121 0.181 25510 134 1 . 1 1 25 25 PHE CA C 25 62.181 62.181 61.333 0.848 25510 135 1 . 1 1 25 25 PHE CB C 25 39.543 39.543 39.205 0.338 25510 136 1 . 1 1 25 25 PHE H H 25 8.798 8.798 8.275 0.523 25510 137 1 . 1 1 26 26 LYS N N 26 117.901 117.901 118.761 -0.860 25510 138 1 . 1 1 26 26 LYS HA H 26 3.674 3.674 3.784 -0.110 25510 139 1 . 1 1 26 26 LYS C C 26 177.118 177.118 179.076 -1.958 25510 140 1 . 1 1 26 26 LYS CA C 26 60.962 60.962 59.265 1.697 25510 141 1 . 1 1 26 26 LYS CB C 26 33.039 33.039 32.097 0.942 25510 142 1 . 1 1 26 26 LYS H H 26 8.841 8.841 7.970 0.871 25510 143 1 . 1 1 27 27 TYR N N 27 118.480 118.480 120.997 -2.517 25510 144 1 . 1 1 27 27 TYR HA H 27 4.156 4.156 4.234 -0.078 25510 145 1 . 1 1 27 27 TYR C C 27 178.460 178.460 177.204 1.256 25510 146 1 . 1 1 27 27 TYR CA C 27 61.457 61.457 61.230 0.227 25510 147 1 . 1 1 27 27 TYR CB C 27 37.747 37.747 38.651 -0.903 25510 148 1 . 1 1 27 27 TYR H H 27 7.645 7.645 7.849 -0.204 25510 149 1 . 1 1 28 28 PHE N N 28 117.525 117.525 118.161 -0.636 25510 150 1 . 1 1 28 28 PHE HA H 28 4.246 4.246 4.075 0.171 25510 151 1 . 1 1 28 28 PHE C C 28 178.827 178.827 176.668 2.159 25510 152 1 . 1 1 28 28 PHE CA C 28 60.802 60.802 60.770 0.032 25510 153 1 . 1 1 28 28 PHE CB C 28 40.077 40.077 39.399 0.678 25510 154 1 . 1 1 28 28 PHE H H 28 7.741 7.741 7.803 -0.062 25510 155 1 . 1 1 29 29 ALA N N 29 123.372 123.372 120.312 3.060 25510 156 1 . 1 1 29 29 ALA HA H 29 3.973 3.973 4.177 -0.204 25510 157 1 . 1 1 29 29 ALA C C 29 178.340 178.340 178.073 0.267 25510 158 1 . 1 1 29 29 ALA CA C 29 55.322 55.322 53.803 1.519 25510 159 1 . 1 1 29 29 ALA CB C 29 17.204 17.204 19.087 -1.883 25510 160 1 . 1 1 29 29 ALA H H 29 8.840 8.840 7.829 1.011 25510 161 1 . 1 1 30 30 LEU N N 30 117.039 117.039 119.823 -2.784 25510 162 1 . 1 1 30 30 LEU HA H 30 4.039 4.039 4.846 -0.807 25510 163 1 . 1 1 30 30 LEU C C 30 178.373 178.373 176.693 1.680 25510 164 1 . 1 1 30 30 LEU CA C 30 58.344 58.344 53.780 4.564 25510 165 1 . 1 1 30 30 LEU CB C 30 41.927 41.927 40.114 1.813 25510 166 1 . 1 1 30 30 LEU H H 30 7.443 7.443 7.634 -0.191 25510 167 1 . 1 1 31 31 THR N N 31 125.874 125.874 114.527 11.347 25510 168 1 . 1 1 31 31 THR HA H 31 4.228 4.228 4.057 0.171 25510 169 1 . 1 1 31 31 THR C C 31 176.282 176.282 175.411 0.871 25510 170 1 . 1 1 31 31 THR CA C 31 63.328 63.328 63.404 -0.076 25510 171 1 . 1 1 31 31 THR CB C 31 69.170 69.170 69.541 -0.371 25510 172 1 . 1 1 31 31 THR H H 31 7.014 7.014 7.864 -0.850 25510 173 1 . 1 1 32 32 GLU N N 32 120.558 120.558 119.871 0.687 25510 174 1 . 1 1 32 32 GLU HA H 32 4.152 4.152 4.164 -0.012 25510 175 1 . 1 1 32 32 GLU C C 32 175.968 175.968 176.681 -0.713 25510 176 1 . 1 1 32 32 GLU CA C 32 57.781 57.781 57.381 0.400 25510 177 1 . 1 1 32 32 GLU CB C 32 31.061 31.061 29.029 2.032 25510 178 1 . 1 1 32 32 GLU H H 32 7.808 7.808 8.416 -0.608 25510 179 1 . 1 1 33 33 PHE N N 33 114.045 114.045 117.780 -3.735 25510 180 1 . 1 1 33 33 PHE HA H 33 4.470 4.470 4.496 -0.026 25510 181 1 . 1 1 33 33 PHE CA C 33 57.498 57.498 58.711 -1.213 25510 182 1 . 1 1 33 33 PHE CB C 33 40.543 40.543 39.030 1.513 25510 183 1 . 1 1 33 33 PHE H H 33 8.390 8.390 7.546 0.844 25510 184 1 . 1 1 34 34 GLN HA H 34 4.270 4.270 3.949 0.321 25510 185 1 . 1 1 34 34 GLN C C 34 174.516 174.516 175.066 -0.550 25510 186 1 . 1 1 34 34 GLN CA C 34 56.154 56.154 56.039 0.115 25510 187 1 . 1 1 34 34 GLN CB C 34 26.321 26.321 26.662 -0.341 25510 188 1 . 1 1 34 34 GLN H H 34 7.968 7.968 8.155 -0.187 25510 189 1 . 1 1 35 35 ILE N N 35 119.653 119.653 120.223 -0.570 25510 190 1 . 1 1 35 35 ILE HA H 35 4.371 4.371 3.898 0.473 25510 191 1 . 1 1 35 35 ILE C C 35 173.592 173.592 175.971 -2.379 25510 192 1 . 1 1 35 35 ILE CA C 35 59.410 59.410 61.564 -2.154 25510 193 1 . 1 1 35 35 ILE CB C 35 41.757 41.757 38.586 3.171 25510 194 1 . 1 1 35 35 ILE H H 35 7.455 7.455 8.114 -0.659 25510 195 1 . 1 1 36 36 ALA N N 36 126.668 126.668 129.560 -2.892 25510 196 1 . 1 1 36 36 ALA HA H 36 4.268 4.268 4.333 -0.065 25510 197 1 . 1 1 36 36 ALA C C 36 178.784 178.784 178.032 0.752 25510 198 1 . 1 1 36 36 ALA CA C 36 52.182 52.182 52.362 -0.180 25510 199 1 . 1 1 36 36 ALA CB C 36 19.265 19.265 19.683 -0.418 25510 200 1 . 1 1 36 36 ALA H H 36 8.238 8.238 8.364 -0.126 25510 201 1 . 1 1 37 37 ARG N N 37 123.068 123.068 123.273 -0.205 25510 202 1 . 1 1 37 37 ARG HA H 37 3.816 3.816 4.055 -0.239 25510 203 1 . 1 1 37 37 ARG CA C 37 59.838 59.838 58.634 1.205 25510 204 1 . 1 1 37 37 ARG CB C 37 29.932 29.932 30.039 -0.107 25510 205 1 . 1 1 37 37 ARG H H 37 8.820 8.820 8.847 -0.027 25510 206 1 . 1 1 38 38 SER N N 38 112.348 112.348 114.926 -2.578 25510 207 1 . 1 1 38 38 SER HA H 38 4.178 4.178 4.325 -0.147 25510 208 1 . 1 1 38 38 SER C C 38 178.315 178.315 176.096 2.219 25510 209 1 . 1 1 38 38 SER CA C 38 60.772 60.772 61.178 -0.406 25510 210 1 . 1 1 38 38 SER CB C 38 62.061 62.061 62.399 -0.338 25510 211 1 . 1 1 38 38 SER H H 38 8.517 8.517 8.449 0.068 25510 212 1 . 1 1 39 39 THR N N 39 117.311 117.311 115.753 1.558 25510 213 1 . 1 1 39 39 THR HA H 39 4.025 4.025 4.137 -0.112 25510 214 1 . 1 1 39 39 THR C C 39 175.203 175.203 175.780 -0.577 25510 215 1 . 1 1 39 39 THR CA C 39 64.904 64.904 64.443 0.461 25510 216 1 . 1 1 39 39 THR CB C 39 68.726 68.726 68.405 0.321 25510 217 1 . 1 1 39 39 THR H H 39 7.231 7.231 7.717 -0.486 25510 218 1 . 1 1 40 40 LEU N N 40 118.713 118.713 120.987 -2.274 25510 219 1 . 1 1 40 40 LEU HA H 40 4.031 4.031 3.984 0.047 25510 220 1 . 1 1 40 40 LEU C C 40 177.743 177.743 178.076 -0.333 25510 221 1 . 1 1 40 40 LEU CA C 40 56.063 56.063 57.174 -1.111 25510 222 1 . 1 1 40 40 LEU CB C 40 42.294 42.294 41.294 1.000 25510 223 1 . 1 1 40 40 LEU H H 40 7.552 7.552 7.531 0.021 25510 224 1 . 1 1 41 41 ASP N N 41 119.468 119.468 119.308 0.160 25510 225 1 . 1 1 41 41 ASP HA H 41 4.497 4.497 4.432 0.065 25510 226 1 . 1 1 41 41 ASP C C 41 177.111 177.111 177.588 -0.477 25510 227 1 . 1 1 41 41 ASP CA C 41 56.594 56.594 56.940 -0.346 25510 228 1 . 1 1 41 41 ASP CB C 41 39.954 39.954 41.456 -1.502 25510 229 1 . 1 1 41 41 ASP H H 41 8.153 8.153 7.761 0.392 25510 230 1 . 1 1 42 42 VAL N N 42 111.960 111.960 111.811 0.149 25510 231 1 . 1 1 42 42 VAL HA H 42 4.328 4.328 4.653 -0.325 25510 232 1 . 1 1 42 42 VAL C C 42 175.994 175.994 175.997 -0.003 25510 233 1 . 1 1 42 42 VAL CA C 42 60.742 60.742 60.943 -0.201 25510 234 1 . 1 1 42 42 VAL CB C 42 32.741 32.741 31.927 0.814 25510 235 1 . 1 1 42 42 VAL H H 42 7.293 7.293 7.657 -0.364 25510 236 1 . 1 1 43 43 ALA N N 43 124.575 124.575 124.812 -0.237 25510 237 1 . 1 1 43 43 ALA HA H 43 4.326 4.326 3.936 0.390 25510 238 1 . 1 1 43 43 ALA C C 43 177.972 177.972 178.946 -0.974 25510 239 1 . 1 1 43 43 ALA CA C 43 53.078 53.078 55.816 -2.738 25510 240 1 . 1 1 43 43 ALA CB C 43 19.451 19.451 18.305 1.146 25510 241 1 . 1 1 43 43 ALA H H 43 7.626 7.626 8.034 -0.408 25510 242 1 . 1 1 44 44 ASP N N 44 119.810 119.810 117.317 2.493 25510 243 1 . 1 1 44 44 ASP HA H 44 4.060 4.060 4.282 -0.222 25510 244 1 . 1 1 44 44 ASP C C 44 179.346 179.346 177.857 1.489 25510 245 1 . 1 1 44 44 ASP CA C 44 58.324 58.324 56.807 1.517 25510 246 1 . 1 1 44 44 ASP CB C 44 31.932 31.932 40.074 -8.142 25510 247 1 . 1 1 44 44 ASP H H 44 8.002 8.002 8.814 -0.812 25510 248 1 . 1 1 45 45 ARG N N 45 123.564 123.564 118.641 4.923 25510 249 1 . 1 1 45 45 ARG HA H 45 3.769 3.769 4.295 -0.526 25510 250 1 . 1 1 45 45 ARG C C 45 177.492 177.492 178.275 -0.783 25510 251 1 . 1 1 45 45 ARG CA C 45 60.809 60.809 58.121 2.688 25510 252 1 . 1 1 45 45 ARG CB C 45 33.014 33.014 30.327 2.687 25510 253 1 . 1 1 45 45 ARG H H 45 8.611 8.611 7.563 1.048 25510 254 1 . 1 1 46 46 THR N N 46 118.315 118.315 112.505 5.810 25510 255 1 . 1 1 46 46 THR HA H 46 4.051 4.051 4.307 -0.256 25510 256 1 . 1 1 46 46 THR C C 46 179.947 179.947 176.255 3.692 25510 257 1 . 1 1 46 46 THR CA C 46 59.605 59.605 64.871 -5.266 25510 258 1 . 1 1 46 46 THR CB C 46 32.375 32.375 69.404 -37.029 25510 259 1 . 1 1 46 46 THR H H 46 8.182 8.182 7.683 0.499 25510 260 1 . 1 1 47 47 GLU N N 47 118.691 118.691 121.836 -3.145 25510 261 1 . 1 1 47 47 GLU HA H 47 4.022 4.022 4.205 -0.183 25510 262 1 . 1 1 47 47 GLU C C 47 179.758 179.758 178.989 0.769 25510 263 1 . 1 1 47 47 GLU CB C 47 29.199 29.199 29.442 -0.243 25510 264 1 . 1 1 47 47 GLU H H 47 8.117 8.117 7.705 0.412 25510 265 1 . 1 1 48 48 LEU N N 48 120.020 120.020 120.882 -0.862 25510 266 1 . 1 1 48 48 LEU HA H 48 3.759 3.759 3.949 -0.190 25510 267 1 . 1 1 48 48 LEU C C 48 177.474 177.474 178.922 -1.448 25510 268 1 . 1 1 48 48 LEU CA C 48 58.574 58.574 58.054 0.520 25510 269 1 . 1 1 48 48 LEU CB C 48 41.602 41.602 41.697 -0.095 25510 270 1 . 1 1 48 48 LEU H H 48 8.355 8.355 8.419 -0.064 25510 271 1 . 1 1 49 49 ALA N N 49 120.164 120.164 121.074 -0.910 25510 272 1 . 1 1 49 49 ALA HA H 49 3.689 3.689 3.862 -0.173 25510 273 1 . 1 1 49 49 ALA C C 49 178.552 178.552 179.270 -0.718 25510 274 1 . 1 1 49 49 ALA CA C 49 56.129 56.129 55.305 0.824 25510 275 1 . 1 1 49 49 ALA CB C 49 17.636 17.636 17.907 -0.271 25510 276 1 . 1 1 49 49 ALA H H 49 8.224 8.224 7.930 0.294 25510 277 1 . 1 1 50 50 ASP N N 50 115.824 115.824 118.064 -2.240 25510 278 1 . 1 1 50 50 ASP HA H 50 4.418 4.418 4.351 0.067 25510 279 1 . 1 1 50 50 ASP C C 50 179.108 179.108 178.278 0.830 25510 280 1 . 1 1 50 50 ASP CA C 50 57.921 57.921 57.314 0.607 25510 281 1 . 1 1 50 50 ASP CB C 50 39.763 39.763 41.008 -1.245 25510 282 1 . 1 1 50 50 ASP H H 50 8.041 8.041 7.679 0.362 25510 283 1 . 1 1 51 51 HIS N N 51 117.866 117.866 119.828 -1.962 25510 284 1 . 1 1 51 51 HIS HA H 51 4.465 4.465 4.261 0.204 25510 285 1 . 1 1 51 51 HIS CA C 51 58.490 58.490 59.650 -1.160 25510 286 1 . 1 1 51 51 HIS CB C 51 28.065 28.065 30.356 -2.291 25510 287 1 . 1 1 51 51 HIS H H 51 8.541 8.541 8.117 0.424 25510 288 1 . 1 1 52 52 LEU N N 52 120.279 120.279 117.960 2.319 25510 289 1 . 1 1 52 52 LEU HA H 52 3.626 3.626 3.940 -0.314 25510 290 1 . 1 1 52 52 LEU C C 52 178.488 178.488 178.613 -0.125 25510 291 1 . 1 1 52 52 LEU CA C 52 58.380 58.380 57.902 0.478 25510 292 1 . 1 1 52 52 LEU CB C 52 39.431 39.431 40.974 -1.543 25510 293 1 . 1 1 52 52 LEU H H 52 8.529 8.529 8.099 0.430 25510 294 1 . 1 1 53 53 ILE N N 53 119.478 119.478 118.406 1.072 25510 295 1 . 1 1 53 53 ILE HA H 53 3.439 3.439 3.865 -0.426 25510 296 1 . 1 1 53 53 ILE C C 53 178.798 178.798 178.407 0.391 25510 297 1 . 1 1 53 53 ILE CA C 53 64.985 64.985 63.529 1.456 25510 298 1 . 1 1 53 53 ILE CB C 53 37.653 37.653 37.052 0.601 25510 299 1 . 1 1 53 53 ILE H H 53 8.069 8.069 7.505 0.565 25510 300 1 . 1 1 54 54 GLN N N 54 119.904 119.904 117.396 2.508 25510 301 1 . 1 1 54 54 GLN HA H 54 4.020 4.020 4.008 0.012 25510 302 1 . 1 1 54 54 GLN C C 54 177.668 177.668 177.512 0.156 25510 303 1 . 1 1 54 54 GLN CA C 54 58.660 58.660 57.966 0.694 25510 304 1 . 1 1 54 54 GLN CB C 54 28.489 28.489 28.181 0.308 25510 305 1 . 1 1 54 54 GLN H H 54 8.382 8.382 7.748 0.634 25510 306 1 . 1 1 55 55 SER N N 55 110.647 110.647 114.788 -4.141 25510 307 1 . 1 1 55 55 SER HA H 55 4.353 4.353 4.232 0.121 25510 308 1 . 1 1 55 55 SER C C 55 175.910 175.910 175.109 0.801 25510 309 1 . 1 1 55 55 SER CA C 55 61.019 61.019 60.489 0.531 25510 310 1 . 1 1 55 55 SER CB C 55 63.997 63.997 63.371 0.626 25510 311 1 . 1 1 55 55 SER H H 55 7.623 7.623 7.508 0.115 25510 312 1 . 1 1 56 56 ALA N N 56 118.590 118.590 120.014 -1.424 25510 313 1 . 1 1 56 56 ALA HA H 56 4.725 4.725 4.513 0.212 25510 314 1 . 1 1 56 56 ALA C C 56 178.537 178.537 176.601 1.936 25510 315 1 . 1 1 56 56 ALA CA C 56 52.712 52.712 52.271 0.441 25510 316 1 . 1 1 56 56 ALA CB C 56 21.762 21.762 20.980 0.782 25510 317 1 . 1 1 56 56 ALA H H 56 7.908 7.908 7.588 0.320 25510 318 1 . 1 1 57 57 GLY N N 57 109.060 109.060 106.215 2.845 25510 319 1 . 1 1 57 57 GLY C C 57 174.410 174.410 173.740 0.670 25510 320 1 . 1 1 57 57 GLY CA C 57 44.231 44.231 44.968 -0.737 25510 321 1 . 1 1 57 57 GLY H H 57 7.996 7.996 7.500 0.496 25510 322 1 . 1 1 58 58 ALA N N 58 123.460 123.460 123.242 0.218 25510 323 1 . 1 1 58 58 ALA HA H 58 4.006 4.006 4.116 -0.110 25510 324 1 . 1 1 58 58 ALA C C 58 177.285 177.285 179.239 -1.954 25510 325 1 . 1 1 58 58 ALA CA C 58 57.081 57.081 54.846 2.235 25510 326 1 . 1 1 58 58 ALA CB C 58 19.206 19.206 18.996 0.210 25510 327 1 . 1 1 58 58 ALA H H 58 8.710 8.710 8.517 0.193 25510 328 1 . 1 1 59 59 ALA N N 59 118.918 118.918 120.268 -1.350 25510 329 1 . 1 1 59 59 ALA HA H 59 2.947 2.947 4.204 -1.257 25510 330 1 . 1 1 59 59 ALA C C 59 181.017 181.017 179.729 1.288 25510 331 1 . 1 1 59 59 ALA CA C 59 55.393 55.393 54.819 0.574 25510 332 1 . 1 1 59 59 ALA CB C 59 18.030 18.030 18.051 -0.021 25510 333 1 . 1 1 59 59 ALA H H 59 8.272 8.272 8.566 -0.294 25510 334 1 . 1 1 60 60 SER N N 60 112.905 112.905 114.639 -1.734 25510 335 1 . 1 1 60 60 SER HA H 60 4.130 4.130 4.205 -0.075 25510 336 1 . 1 1 60 60 SER C C 60 176.246 176.246 176.558 -0.312 25510 337 1 . 1 1 60 60 SER CA C 60 60.601 60.601 61.611 -1.010 25510 338 1 . 1 1 60 60 SER CB C 60 62.796 62.796 62.754 0.042 25510 339 1 . 1 1 60 60 SER H H 60 8.218 8.218 8.280 -0.062 25510 340 1 . 1 1 61 61 ALA N N 61 121.207 121.207 123.993 -2.785 25510 341 1 . 1 1 61 61 ALA HA H 61 4.156 4.156 4.133 0.023 25510 342 1 . 1 1 61 61 ALA C C 61 179.639 179.639 179.581 0.058 25510 343 1 . 1 1 61 61 ALA CA C 61 55.655 55.655 54.866 0.789 25510 344 1 . 1 1 61 61 ALA CB C 61 18.550 18.550 18.403 0.146 25510 345 1 . 1 1 61 61 ALA H H 61 8.583 8.583 7.518 1.065 25510 346 1 . 1 1 62 62 VAL N N 62 116.024 116.024 117.294 -1.270 25510 347 1 . 1 1 62 62 VAL HA H 62 3.673 3.673 3.621 0.052 25510 348 1 . 1 1 62 62 VAL C C 62 177.567 177.567 178.043 -0.476 25510 349 1 . 1 1 62 62 VAL CA C 62 67.903 67.903 66.442 1.461 25510 350 1 . 1 1 62 62 VAL CB C 62 31.553 31.553 31.411 0.142 25510 351 1 . 1 1 62 62 VAL H H 62 7.517 7.517 7.883 -0.366 25510 352 1 . 1 1 63 63 THR N N 63 117.797 117.797 113.890 3.907 25510 353 1 . 1 1 63 63 THR HA H 63 4.318 4.318 4.207 0.111 25510 354 1 . 1 1 63 63 THR C C 63 176.800 176.800 176.600 0.200 25510 355 1 . 1 1 63 63 THR CA C 63 68.590 68.590 65.900 2.690 25510 356 1 . 1 1 63 63 THR CB C 63 67.818 67.818 68.945 -1.127 25510 357 1 . 1 1 63 63 THR H H 63 8.007 8.007 7.730 0.277 25510 358 1 . 1 1 64 64 LYS N N 64 121.300 121.300 121.734 -0.434 25510 359 1 . 1 1 64 64 LYS HA H 64 3.897 3.897 4.200 -0.303 25510 360 1 . 1 1 64 64 LYS C C 64 178.721 178.721 178.530 0.191 25510 361 1 . 1 1 64 64 LYS CA C 64 59.942 59.942 58.851 1.091 25510 362 1 . 1 1 64 64 LYS CB C 64 34.238 34.238 31.576 2.662 25510 363 1 . 1 1 64 64 LYS H H 64 8.771 8.771 7.770 1.001 25510 364 1 . 1 1 65 65 ALA N N 65 121.115 121.115 122.441 -1.326 25510 365 1 . 1 1 65 65 ALA HA H 65 4.052 4.052 4.258 -0.205 25510 366 1 . 1 1 65 65 ALA C C 65 178.759 178.759 179.622 -0.863 25510 367 1 . 1 1 65 65 ALA CA C 65 56.050 56.050 55.032 1.018 25510 368 1 . 1 1 65 65 ALA CB C 65 18.244 18.244 18.254 -0.010 25510 369 1 . 1 1 65 65 ALA H H 65 8.598 8.598 8.311 0.287 25510 370 1 . 1 1 66 66 ILE N N 66 118.735 118.735 117.862 0.873 25510 371 1 . 1 1 66 66 ILE HA H 66 3.649 3.649 3.836 -0.187 25510 372 1 . 1 1 66 66 ILE C C 66 177.252 177.252 177.781 -0.529 25510 373 1 . 1 1 66 66 ILE CA C 66 67.959 67.959 63.766 4.193 25510 374 1 . 1 1 66 66 ILE CB C 66 38.049 38.049 36.961 1.088 25510 375 1 . 1 1 66 66 ILE H H 66 8.657 8.657 7.684 0.973 25510 376 1 . 1 1 67 67 ASN N N 67 117.463 117.463 118.932 -1.469 25510 377 1 . 1 1 67 67 ASN HA H 67 4.407 4.407 4.674 -0.267 25510 378 1 . 1 1 67 67 ASN C C 67 178.095 178.095 178.071 0.024 25510 379 1 . 1 1 67 67 ASN CA C 67 56.569 56.569 56.542 0.027 25510 380 1 . 1 1 67 67 ASN CB C 67 38.381 38.381 38.459 -0.078 25510 381 1 . 1 1 67 67 ASN H H 67 7.525 7.525 7.751 -0.226 25510 382 1 . 1 1 68 68 ILE N N 68 120.886 120.886 120.315 0.571 25510 383 1 . 1 1 68 68 ILE HA H 68 3.246 3.246 3.768 -0.522 25510 384 1 . 1 1 68 68 ILE C C 68 177.540 177.540 177.711 -0.171 25510 385 1 . 1 1 68 68 ILE CA C 68 66.216 66.216 65.025 1.191 25510 386 1 . 1 1 68 68 ILE CB C 68 37.416 37.416 38.240 -0.824 25510 387 1 . 1 1 68 68 ILE H H 68 8.170 8.170 7.732 0.438 25510 388 1 . 1 1 69 69 PHE N N 69 117.836 117.836 119.791 -1.955 25510 389 1 . 1 1 69 69 PHE HA H 69 4.398 4.398 4.189 0.209 25510 390 1 . 1 1 69 69 PHE C C 69 178.279 178.279 177.159 1.120 25510 391 1 . 1 1 69 69 PHE CA C 69 62.837 62.837 61.505 1.332 25510 392 1 . 1 1 69 69 PHE CB C 69 37.994 37.994 39.410 -1.416 25510 393 1 . 1 1 69 69 PHE H H 69 8.963 8.963 8.353 0.610 25510 394 1 . 1 1 70 70 GLN N N 70 118.145 118.145 118.733 -0.588 25510 395 1 . 1 1 70 70 GLN HA H 70 4.142 4.142 3.822 0.320 25510 396 1 . 1 1 70 70 GLN C C 70 180.057 180.057 177.894 2.163 25510 397 1 . 1 1 70 70 GLN CA C 70 59.786 59.786 58.625 1.161 25510 398 1 . 1 1 70 70 GLN CB C 70 27.673 27.673 28.330 -0.657 25510 399 1 . 1 1 70 70 GLN H H 70 8.480 8.480 8.372 0.108 25510 400 1 . 1 1 71 71 LYS N N 71 123.368 123.368 118.262 5.106 25510 401 1 . 1 1 71 71 LYS HA H 71 3.925 3.925 4.064 -0.139 25510 402 1 . 1 1 71 71 LYS C C 71 178.755 178.755 177.516 1.239 25510 403 1 . 1 1 71 71 LYS CA C 71 59.502 59.502 58.205 1.297 25510 404 1 . 1 1 71 71 LYS CB C 71 32.028 32.028 32.195 -0.167 25510 405 1 . 1 1 71 71 LYS H H 71 8.099 8.099 7.522 0.577 25510 406 1 . 1 1 72 72 LEU N N 72 117.830 117.830 117.768 0.062 25510 407 1 . 1 1 72 72 LEU HA H 72 3.992 3.992 4.182 -0.190 25510 408 1 . 1 1 72 72 LEU C C 72 175.462 175.462 177.422 -1.960 25510 409 1 . 1 1 72 72 LEU CA C 72 55.069 55.069 56.098 -1.029 25510 410 1 . 1 1 72 72 LEU CB C 72 42.155 42.155 42.690 -0.535 25510 411 1 . 1 1 72 72 LEU H H 72 7.866 7.866 7.315 0.551 25510 412 1 . 1 1 73 73 ASN N N 73 113.996 113.996 114.433 -0.437 25510 413 1 . 1 1 73 73 ASN HA H 73 4.339 4.339 4.514 -0.175 25510 414 1 . 1 1 73 73 ASN C C 73 175.753 175.753 174.743 1.010 25510 415 1 . 1 1 73 73 ASN CA C 73 54.474 54.474 53.663 0.811 25510 416 1 . 1 1 73 73 ASN CB C 73 37.479 37.479 41.044 -3.565 25510 417 1 . 1 1 73 73 ASN H H 73 8.026 8.026 7.669 0.357 25510 418 1 . 1 1 74 74 TYR N N 74 122.244 122.244 119.054 3.190 25510 419 1 . 1 1 74 74 TYR HA H 74 5.277 5.277 4.854 0.423 25510 420 1 . 1 1 74 74 TYR C C 74 177.548 177.548 175.283 2.265 25510 421 1 . 1 1 74 74 TYR CA C 74 54.059 54.059 56.694 -2.635 25510 422 1 . 1 1 74 74 TYR CB C 74 35.376 35.376 38.182 -2.806 25510 423 1 . 1 1 74 74 TYR H H 74 8.613 8.613 7.174 1.439 25510 424 1 . 1 1 75 75 MET N N 75 117.619 117.619 120.702 -3.083 25510 425 1 . 1 1 75 75 MET HA H 75 4.275 4.275 4.016 0.259 25510 426 1 . 1 1 75 75 MET C C 75 178.716 178.716 176.087 2.629 25510 427 1 . 1 1 75 75 MET CA C 75 57.231 57.231 59.170 -1.939 25510 428 1 . 1 1 75 75 MET CB C 75 30.304 30.304 32.156 -1.852 25510 429 1 . 1 1 75 75 MET H H 75 7.722 7.722 7.984 -0.262 25510 430 1 . 1 1 76 76 HIS N N 76 117.559 117.559 118.646 -1.087 25510 431 1 . 1 1 76 76 HIS HA H 76 4.467 4.467 4.484 -0.017 25510 432 1 . 1 1 76 76 HIS CA C 76 58.997 58.997 59.103 -0.106 25510 433 1 . 1 1 76 76 HIS CB C 76 27.437 27.437 29.819 -2.382 25510 434 1 . 1 1 76 76 HIS H H 76 8.865 8.865 8.151 0.714 25510 435 1 . 1 1 77 77 ILE N N 77 119.750 119.750 120.087 -0.337 25510 436 1 . 1 1 77 77 ILE HA H 77 3.584 3.584 3.729 -0.145 25510 437 1 . 1 1 77 77 ILE C C 77 177.168 177.168 177.813 -0.645 25510 438 1 . 1 1 77 77 ILE CA C 77 64.204 64.204 63.849 0.355 25510 439 1 . 1 1 77 77 ILE CB C 77 37.800 37.800 37.817 -0.017 25510 440 1 . 1 1 77 77 ILE H H 77 7.356 7.356 7.628 -0.272 25510 441 1 . 1 1 78 78 ALA N N 78 120.662 120.662 121.891 -1.229 25510 442 1 . 1 1 78 78 ALA HA H 78 3.930 3.930 3.909 0.021 25510 443 1 . 1 1 78 78 ALA C C 78 178.936 178.936 178.605 0.331 25510 444 1 . 1 1 78 78 ALA CA C 78 56.421 56.421 55.556 0.865 25510 445 1 . 1 1 78 78 ALA CB C 78 18.987 18.987 18.137 0.850 25510 446 1 . 1 1 78 78 ALA H H 78 8.054 8.054 8.360 -0.306 25510 447 1 . 1 1 79 79 ASN N N 79 114.176 114.176 117.005 -2.829 25510 448 1 . 1 1 79 79 ASN HA H 79 4.444 4.444 4.641 -0.197 25510 449 1 . 1 1 79 79 ASN C C 79 177.625 177.625 177.294 0.331 25510 450 1 . 1 1 79 79 ASN CA C 79 56.051 56.051 56.055 -0.004 25510 451 1 . 1 1 79 79 ASN CB C 79 38.224 38.224 38.159 0.065 25510 452 1 . 1 1 79 79 ASN H H 79 8.531 8.531 7.861 0.670 25510 453 1 . 1 1 80 80 ALA N N 80 123.670 123.670 121.575 2.095 25510 454 1 . 1 1 80 80 ALA HA H 80 4.128 4.128 4.243 -0.115 25510 455 1 . 1 1 80 80 ALA C C 80 180.727 180.727 179.466 1.261 25510 456 1 . 1 1 80 80 ALA CA C 80 55.162 55.162 54.409 0.753 25510 457 1 . 1 1 80 80 ALA CB C 80 18.262 18.262 18.608 -0.346 25510 458 1 . 1 1 80 80 ALA H H 80 7.822 7.822 7.596 0.226 25510 459 1 . 1 1 81 81 LEU N N 81 120.065 120.065 119.233 0.832 25510 460 1 . 1 1 81 81 LEU HA H 81 3.992 3.992 4.014 -0.022 25510 461 1 . 1 1 81 81 LEU C C 81 177.550 177.550 179.131 -1.581 25510 462 1 . 1 1 81 81 LEU CA C 81 57.873 57.873 57.407 0.466 25510 463 1 . 1 1 81 81 LEU CB C 81 42.339 42.339 41.668 0.671 25510 464 1 . 1 1 81 81 LEU H H 81 8.526 8.526 7.455 1.071 25510 465 1 . 1 1 82 82 GLU N N 82 119.844 119.844 118.711 1.133 25510 466 1 . 1 1 82 82 GLU HA H 82 3.995 3.995 3.969 0.026 25510 467 1 . 1 1 82 82 GLU C C 82 178.510 178.510 178.709 -0.199 25510 468 1 . 1 1 82 82 GLU CA C 82 59.671 59.671 59.180 0.491 25510 469 1 . 1 1 82 82 GLU CB C 82 28.804 28.804 28.769 0.035 25510 470 1 . 1 1 82 82 GLU H H 82 8.429 8.429 8.531 -0.102 25510 471 1 . 1 1 83 83 GLU N N 83 118.585 118.585 120.326 -1.741 25510 472 1 . 1 1 83 83 GLU HA H 83 4.054 4.054 4.093 -0.040 25510 473 1 . 1 1 83 83 GLU C C 83 179.516 179.516 178.669 0.847 25510 474 1 . 1 1 83 83 GLU CA C 83 59.904 59.904 58.637 1.267 25510 475 1 . 1 1 83 83 GLU CB C 83 28.959 28.959 29.223 -0.264 25510 476 1 . 1 1 83 83 GLU H H 83 8.138 8.138 7.933 0.205 25510 477 1 . 1 1 84 84 LYS N N 84 119.135 119.135 119.688 -0.553 25510 478 1 . 1 1 84 84 LYS HA H 84 4.120 4.120 4.070 0.050 25510 479 1 . 1 1 84 84 LYS CA C 84 59.708 59.708 58.779 0.929 25510 480 1 . 1 1 84 84 LYS H H 84 8.690 8.690 7.890 0.800 25510 481 1 . 1 1 85 85 LYS N N 85 118.012 118.012 118.949 -0.937 25510 482 1 . 1 1 85 85 LYS HA H 85 4.457 4.457 4.055 0.402 25510 483 1 . 1 1 85 85 LYS H H 85 8.109 8.109 7.706 0.403 25510 484 1 . 1 1 86 86 LYS N N 86 119.839 119.839 117.515 2.324 25510 485 1 . 1 1 86 86 LYS HA H 86 3.918 3.918 4.056 -0.138 25510 486 1 . 1 1 86 86 LYS CA C 86 63.298 63.298 59.151 4.147 25510 487 1 . 1 1 86 86 LYS H H 86 8.577 8.577 7.655 0.922 25510 488 1 . 1 1 87 87 GLU N N 87 119.674 119.674 118.896 0.778 25510 489 1 . 1 1 87 87 GLU HA H 87 3.991 3.991 4.143 -0.152 25510 490 1 . 1 1 87 87 GLU CA C 87 59.239 59.239 58.334 0.905 25510 491 1 . 1 1 87 87 GLU CB C 87 29.112 29.112 29.660 -0.548 25510 492 1 . 1 1 87 87 GLU H H 87 8.402 8.402 7.736 0.666 25510 493 1 . 1 1 88 88 ALA N N 88 121.869 121.869 122.280 -0.411 25510 494 1 . 1 1 88 88 ALA HA H 88 4.082 4.082 3.815 0.267 25510 495 1 . 1 1 88 88 ALA C C 88 179.999 179.999 179.325 0.674 25510 496 1 . 1 1 88 88 ALA CA C 88 54.938 54.938 54.755 0.183 25510 497 1 . 1 1 88 88 ALA CB C 88 18.417 18.417 17.559 0.858 25510 498 1 . 1 1 88 88 ALA H H 88 8.043 8.043 7.621 0.422 25510 499 1 . 1 1 89 89 GLU N N 89 115.931 115.931 117.982 -2.051 25510 500 1 . 1 1 89 89 GLU HA H 89 4.004 4.004 3.880 0.124 25510 501 1 . 1 1 89 89 GLU C C 89 178.454 178.454 179.289 -0.835 25510 502 1 . 1 1 89 89 GLU CA C 89 58.394 58.394 59.331 -0.937 25510 503 1 . 1 1 89 89 GLU CB C 89 29.144 29.144 29.201 -0.057 25510 504 1 . 1 1 89 89 GLU H H 89 8.058 8.058 7.846 0.212 25510 505 1 . 1 1 90 90 ARG N N 90 119.607 119.607 116.885 2.722 25510 506 1 . 1 1 90 90 ARG HA H 90 4.183 4.183 4.175 0.008 25510 507 1 . 1 1 90 90 ARG C C 90 177.870 177.870 178.202 -0.332 25510 508 1 . 1 1 90 90 ARG CA C 90 58.265 58.265 58.240 0.025 25510 509 1 . 1 1 90 90 ARG CB C 90 30.249 30.249 29.792 0.457 25510 510 1 . 1 1 90 90 ARG H H 90 7.791 7.791 7.748 0.043 25510 511 1 . 1 1 91 91 LYS N N 91 118.638 118.638 119.174 -0.536 25510 512 1 . 1 1 91 91 LYS HA H 91 4.197 4.197 4.131 0.066 25510 513 1 . 1 1 91 91 LYS C C 91 177.087 177.087 177.726 -0.639 25510 514 1 . 1 1 91 91 LYS CA C 91 57.606 57.606 58.552 -0.946 25510 515 1 . 1 1 91 91 LYS CB C 91 32.620 32.620 32.280 0.340 25510 516 1 . 1 1 91 91 LYS H H 91 7.709 7.709 7.345 0.364 25510 517 1 . 1 1 92 92 LEU N N 92 119.640 119.640 117.956 1.684 25510 518 1 . 1 1 92 92 LEU HA H 92 4.329 4.329 4.302 0.027 25510 519 1 . 1 1 92 92 LEU C C 92 177.464 177.464 177.551 -0.087 25510 520 1 . 1 1 92 92 LEU CA C 92 55.618 55.618 55.532 0.086 25510 521 1 . 1 1 92 92 LEU CB C 92 42.355 42.355 42.163 0.192 25510 522 1 . 1 1 92 92 LEU H H 92 7.766 7.766 7.584 0.182 25510 523 1 . 1 1 93 93 MET N N 93 119.121 119.121 117.576 1.545 25510 524 1 . 1 1 93 93 MET HA H 93 4.570 4.570 4.473 0.097 25510 525 1 . 1 1 93 93 MET C C 93 176.224 176.224 176.486 -0.262 25510 526 1 . 1 1 93 93 MET CA C 93 55.648 55.648 56.099 -0.451 25510 527 1 . 1 1 93 93 MET CB C 93 32.978 32.978 33.485 -0.507 25510 528 1 . 1 1 93 93 MET H H 93 7.973 7.973 7.504 0.469 25510 529 1 . 1 1 94 94 THR N N 94 114.125 114.125 115.027 -0.902 25510 530 1 . 1 1 94 94 THR HA H 94 4.375 4.375 4.389 -0.014 25510 531 1 . 1 1 94 94 THR C C 94 173.550 173.550 173.705 -0.155 25510 532 1 . 1 1 94 94 THR CA C 94 61.682 61.682 61.894 -0.212 25510 533 1 . 1 1 94 94 THR CB C 94 70.027 70.027 70.119 -0.092 25510 534 1 . 1 1 94 94 THR H H 94 8.025 8.025 7.618 0.407 25510 stop_ save_