data_17991 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17991 _Entry.PDB_ID 2LKG 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 17991 _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 8 8 HIS HA H 8 4.738 4.738 4.784 -0.046 17991 2 1 1 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.619 0.157 17991 3 1 1 . 1 1 8 8 HIS CB C 8 29.344 29.344 28.945 0.399 17991 4 1 1 . 1 1 8 8 HIS H H 8 8.686 8.686 8.381 0.305 17991 5 1 1 . 1 1 9 9 ALA N N 9 124.079 124.079 126.602 -2.523 17991 6 1 1 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.369 0.018 17991 7 1 1 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.688 -0.401 17991 8 1 1 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.708 -0.533 17991 9 1 1 . 1 1 9 9 ALA H H 9 8.457 8.457 8.597 -0.140 17991 10 1 1 . 1 1 10 10 MET N N 10 120.430 120.430 118.974 1.456 17991 11 1 1 . 1 1 10 10 MET HA H 10 4.390 4.390 4.226 0.164 17991 12 1 1 . 1 1 10 10 MET CA C 10 57.753 57.753 58.232 -0.479 17991 13 1 1 . 1 1 10 10 MET CB C 10 32.355 32.355 33.063 -0.708 17991 14 1 1 . 1 1 10 10 MET H H 10 8.545 8.545 8.429 0.116 17991 15 1 1 . 1 1 11 11 VAL N N 11 119.159 119.159 115.883 3.276 17991 16 1 1 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.892 0.124 17991 17 1 1 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.289 1.982 17991 18 1 1 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.381 0.230 17991 19 1 1 . 1 1 11 11 VAL H H 11 8.339 8.339 8.279 0.060 17991 20 1 1 . 1 1 12 12 ILE N N 12 119.461 119.461 119.437 0.024 17991 21 1 1 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.035 -0.082 17991 22 1 1 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.901 1.433 17991 23 1 1 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.470 -0.974 17991 24 1 1 . 1 1 12 12 ILE H H 12 7.705 7.705 7.795 -0.090 17991 25 1 1 . 1 1 13 13 ASP N N 13 119.460 119.460 119.468 -0.008 17991 26 1 1 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.638 -0.254 17991 27 1 1 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.131 1.393 17991 28 1 1 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.111 -1.699 17991 29 1 1 . 1 1 13 13 ASP H H 13 8.172 8.172 7.770 0.402 17991 30 1 1 . 1 1 14 14 HIS N N 14 116.421 116.421 117.725 -1.304 17991 31 1 1 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.471 0.069 17991 32 1 1 . 1 1 14 14 HIS CA C 14 58.748 58.748 57.582 1.166 17991 33 1 1 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.353 -1.701 17991 34 1 1 . 1 1 14 14 HIS H H 14 8.138 8.138 8.043 0.095 17991 35 1 1 . 1 1 15 15 ILE N N 15 119.970 119.970 119.291 0.679 17991 36 1 1 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.849 -0.041 17991 37 1 1 . 1 1 15 15 ILE CA C 15 65.404 65.404 62.707 2.697 17991 38 1 1 . 1 1 15 15 ILE CB C 15 37.787 37.787 36.463 1.324 17991 39 1 1 . 1 1 15 15 ILE H H 15 8.224 8.224 7.735 0.489 17991 40 1 1 . 1 1 16 16 LEU N N 16 118.635 118.635 122.247 -3.612 17991 41 1 1 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.118 1.874 17991 42 1 1 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.602 0.184 17991 43 1 1 . 1 1 16 16 LEU H H 16 8.480 8.480 7.903 0.577 17991 44 1 1 . 1 1 17 17 LYS N N 17 118.257 118.257 117.726 0.531 17991 45 1 1 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.001 0.093 17991 46 1 1 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.962 0.921 17991 47 1 1 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.951 0.265 17991 48 1 1 . 1 1 17 17 LYS H H 17 8.098 8.098 7.817 0.281 17991 49 1 1 . 1 1 18 18 CYS N N 18 117.220 117.220 118.687 -1.467 17991 50 1 1 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.264 0.065 17991 51 1 1 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.540 0.678 17991 52 1 1 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.077 -0.255 17991 53 1 1 . 1 1 18 18 CYS H H 18 7.899 7.899 7.896 0.003 17991 54 1 1 . 1 1 19 19 VAL N N 19 118.929 118.929 120.231 -1.302 17991 55 1 1 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.957 -0.232 17991 56 1 1 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.447 1.633 17991 57 1 1 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.250 -0.193 17991 58 1 1 . 1 1 19 19 VAL H H 19 8.352 8.352 7.580 0.772 17991 59 1 1 . 1 1 20 20 PHE N N 20 120.244 120.244 119.981 0.263 17991 60 1 1 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.366 -0.092 17991 61 1 1 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.498 2.128 17991 62 1 1 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.914 0.166 17991 63 1 1 . 1 1 20 20 PHE H H 20 8.791 8.791 8.825 -0.034 17991 64 1 1 . 1 1 21 21 ASP N N 21 118.761 118.761 119.943 -1.182 17991 65 1 1 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.359 0.004 17991 66 1 1 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.176 0.341 17991 67 1 1 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.889 -0.821 17991 68 1 1 . 1 1 21 21 ASP H H 21 8.705 8.705 7.803 0.902 17991 69 1 1 . 1 1 22 22 LYS N N 22 118.200 118.200 119.685 -1.485 17991 70 1 1 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.058 0.136 17991 71 1 1 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.352 -0.759 17991 72 1 1 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.533 -0.234 17991 73 1 1 . 1 1 22 22 LYS H H 22 7.810 7.810 7.518 0.292 17991 74 1 1 . 1 1 23 23 ILE N N 23 118.534 118.534 119.297 -0.763 17991 75 1 1 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.481 0.300 17991 76 1 1 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.461 0.635 17991 77 1 1 . 1 1 23 23 ILE H H 23 8.351 8.351 7.579 0.772 17991 78 1 1 . 1 1 24 24 CYS N N 24 117.155 117.155 115.651 1.504 17991 79 1 1 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.234 -0.185 17991 80 1 1 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.973 1.526 17991 81 1 1 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.255 -0.629 17991 82 1 1 . 1 1 24 24 CYS H H 24 8.203 8.203 7.835 0.368 17991 83 1 1 . 1 1 25 25 LYS N N 25 119.995 119.995 122.185 -2.190 17991 84 1 1 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.883 -1.121 17991 85 1 1 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.130 0.255 17991 86 1 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.440 0.320 17991 87 1 1 . 1 1 26 26 ILE N N 26 119.168 119.168 117.187 1.981 17991 88 1 1 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.943 0.031 17991 89 1 1 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.099 2.007 17991 90 1 1 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.867 -0.311 17991 91 1 1 . 1 1 26 26 ILE H H 26 8.055 8.055 7.530 0.525 17991 92 1 1 . 1 1 27 27 GLY N N 27 108.257 108.257 107.914 0.343 17991 93 1 1 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.082 -0.093 17991 94 1 1 . 1 1 27 27 GLY H H 27 8.568 8.568 7.692 0.876 17991 95 1 1 . 1 1 28 28 THR N N 28 112.727 112.727 116.488 -3.761 17991 96 1 1 . 1 1 28 28 THR HA H 28 3.912 3.912 4.165 -0.253 17991 97 1 1 . 1 1 28 28 THR CA C 28 64.717 64.717 66.083 -1.366 17991 98 1 1 . 1 1 28 28 THR CB C 28 69.375 69.375 68.673 0.702 17991 99 1 1 . 1 1 28 28 THR H H 28 8.059 8.059 7.914 0.145 17991 100 1 1 . 1 1 29 29 GLU N N 29 120.068 120.068 121.893 -1.825 17991 101 1 1 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.208 -1.604 17991 102 1 1 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.733 0.360 17991 103 1 1 . 1 1 29 29 GLU H H 29 8.113 8.113 7.739 0.374 17991 104 1 1 . 1 1 30 30 SER N N 30 114.882 114.882 115.347 -0.465 17991 105 1 1 . 1 1 30 30 SER HA H 30 4.374 4.374 4.104 0.270 17991 106 1 1 . 1 1 30 30 SER CA C 30 60.353 60.353 61.064 -0.711 17991 107 1 1 . 1 1 30 30 SER H H 30 8.060 8.060 7.540 0.520 17991 108 1 1 . 1 1 31 31 VAL N N 31 122.098 122.098 120.179 1.919 17991 109 1 1 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.743 0.274 17991 110 1 1 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.684 -1.058 17991 111 1 1 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.224 0.762 17991 112 1 1 . 1 1 31 31 VAL H H 31 8.127 8.127 7.352 0.775 17991 113 1 1 . 1 1 32 32 GLU N N 32 120.280 120.280 120.142 0.138 17991 114 1 1 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.133 0.185 17991 115 1 1 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.130 -1.242 17991 116 1 1 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.366 -0.714 17991 117 1 1 . 1 1 32 32 GLU H H 32 8.243 8.243 7.628 0.615 17991 118 1 1 . 1 1 33 33 ALA N N 33 121.715 121.715 121.411 0.304 17991 119 1 1 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.986 0.203 17991 120 1 1 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.255 0.469 17991 121 1 1 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.991 0.737 17991 122 1 1 . 1 1 33 33 ALA H H 33 8.218 8.218 7.660 0.558 17991 123 1 1 . 1 1 34 34 GLY N N 34 104.656 104.656 105.664 -1.008 17991 124 1 1 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.434 0.640 17991 125 1 1 . 1 1 34 34 GLY H H 34 8.308 8.308 8.140 0.168 17991 126 1 1 . 1 1 35 35 ARG N N 35 119.958 119.958 121.696 -1.738 17991 127 1 1 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.162 0.114 17991 128 1 1 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.117 1.908 17991 129 1 1 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.845 0.444 17991 130 1 1 . 1 1 35 35 ARG H H 35 7.975 7.975 7.429 0.546 17991 131 1 1 . 1 1 36 36 LEU N N 36 118.931 118.931 121.131 -2.200 17991 132 1 1 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.076 0.148 17991 133 1 1 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.334 -0.531 17991 134 1 1 . 1 1 36 36 LEU CB C 36 42.193 42.193 42.029 0.164 17991 135 1 1 . 1 1 36 36 LEU H H 36 7.958 7.958 8.608 -0.650 17991 136 1 1 . 1 1 37 37 ILE N N 37 118.087 118.087 118.730 -0.643 17991 137 1 1 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.745 0.185 17991 138 1 1 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.886 -0.027 17991 139 1 1 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.660 0.379 17991 140 1 1 . 1 1 37 37 ILE H H 37 7.904 7.904 7.567 0.337 17991 141 1 1 . 1 1 38 38 GLU N N 38 120.989 120.989 119.841 1.148 17991 142 1 1 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.944 0.287 17991 143 1 1 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.721 -1.276 17991 144 1 1 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.484 -0.473 17991 145 1 1 . 1 1 38 38 GLU H H 38 8.041 8.041 7.480 0.561 17991 146 1 1 . 1 1 39 39 LEU N N 39 120.111 120.111 119.502 0.609 17991 147 1 1 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.110 0.161 17991 148 1 1 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.391 0.020 17991 149 1 1 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.835 1.460 17991 150 1 1 . 1 1 39 39 LEU H H 39 8.173 8.173 7.769 0.404 17991 151 1 1 . 1 1 40 40 SER N N 40 113.806 113.806 113.137 0.669 17991 152 1 1 . 1 1 40 40 SER HA H 40 4.312 4.312 4.215 0.097 17991 153 1 1 . 1 1 40 40 SER CA C 40 60.406 60.406 60.822 -0.416 17991 154 1 1 . 1 1 40 40 SER CB C 40 63.646 63.646 63.189 0.457 17991 155 1 1 . 1 1 40 40 SER H H 40 8.031 8.031 7.570 0.461 17991 156 1 1 . 1 1 41 41 GLN N N 41 120.139 120.139 118.134 2.005 17991 157 1 1 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.272 0.124 17991 158 1 1 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.334 -0.733 17991 159 1 1 . 1 1 41 41 GLN CB C 41 29.385 29.385 30.066 -0.681 17991 160 1 1 . 1 1 41 41 GLN H H 41 7.956 7.956 7.729 0.227 17991 161 1 1 . 1 1 42 42 GLU N N 42 119.728 119.728 115.004 4.724 17991 162 1 1 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.356 0.017 17991 163 1 1 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.917 0.172 17991 164 1 1 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.525 -2.170 17991 165 1 1 . 1 1 42 42 GLU H H 42 8.114 8.114 8.475 -0.361 17991 166 1 1 . 1 1 43 43 GLY N N 43 108.655 108.655 108.508 0.147 17991 167 1 1 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.177 -0.554 17991 168 1 1 . 1 1 43 43 GLY H H 43 8.325 8.325 8.146 0.179 17991 169 1 1 . 1 1 44 44 GLY N N 44 107.872 107.872 106.872 1.000 17991 170 1 1 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.255 1.232 17991 171 1 1 . 1 1 44 44 GLY H H 44 8.105 8.105 7.808 0.297 17991 172 1 1 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.717 1.678 17991 173 1 1 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.538 -0.069 17991 174 1 1 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.271 1.159 17991 175 1 1 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.067 0.254 17991 176 1 1 . 1 1 50 50 LEU N N 50 116.864 116.864 118.346 -1.482 17991 177 1 1 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.244 -0.042 17991 178 1 1 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.134 0.415 17991 179 1 1 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.314 0.385 17991 180 1 1 . 1 1 50 50 LEU H H 50 8.336 8.336 8.035 0.301 17991 181 1 1 . 1 1 51 51 TYR N N 51 118.433 118.433 120.141 -1.708 17991 182 1 1 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.240 -0.075 17991 183 1 1 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.028 1.006 17991 184 1 1 . 1 1 51 51 TYR CB C 51 38.484 38.484 37.909 0.575 17991 185 1 1 . 1 1 51 51 TYR H H 51 7.765 7.765 8.095 -0.330 17991 186 1 1 . 1 1 52 52 PHE N N 52 117.945 117.945 119.966 -2.021 17991 187 1 1 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.753 0.507 17991 188 1 1 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.510 0.741 17991 189 1 1 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.809 -0.491 17991 190 1 1 . 1 1 52 52 PHE H H 52 7.873 7.873 7.461 0.412 17991 191 1 1 . 1 1 53 53 VAL N N 53 117.468 117.468 118.899 -1.431 17991 192 1 1 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.480 0.172 17991 193 1 1 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.480 0.818 17991 194 1 1 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.438 0.372 17991 195 1 1 . 1 1 53 53 VAL H H 53 7.864 7.864 7.487 0.377 17991 196 1 1 . 1 1 54 54 VAL N N 54 116.929 116.929 120.776 -3.847 17991 197 1 1 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.717 -0.015 17991 198 1 1 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.245 -0.178 17991 199 1 1 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.476 0.325 17991 200 1 1 . 1 1 54 54 VAL H H 54 7.958 7.958 8.436 -0.478 17991 201 1 1 . 1 1 55 55 ASN N N 55 115.543 115.543 116.798 -1.255 17991 202 1 1 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.551 0.079 17991 203 1 1 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.456 0.004 17991 204 1 1 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.621 1.308 17991 205 1 1 . 1 1 55 55 ASN H H 55 7.823 7.823 7.616 0.207 17991 206 1 1 . 1 1 56 56 VAL N N 56 116.125 116.125 118.284 -2.159 17991 207 1 1 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.739 0.358 17991 208 1 1 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.710 -0.571 17991 209 1 1 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.952 0.051 17991 210 1 1 . 1 1 56 56 VAL H H 56 7.664 7.664 7.089 0.575 17991 211 1 1 . 1 1 57 57 ILE N N 57 116.872 116.872 118.647 -1.775 17991 212 1 1 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.826 0.183 17991 213 1 1 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.760 0.790 17991 214 1 1 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.714 1.050 17991 215 1 1 . 1 1 57 57 ILE H H 57 7.587 7.587 8.029 -0.442 17991 216 1 1 . 1 1 58 58 GLU N N 58 118.190 118.190 121.837 -3.647 17991 217 1 1 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.074 0.125 17991 218 1 1 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.632 -1.327 17991 219 1 1 . 1 1 58 58 GLU H H 58 8.114 8.114 7.786 0.328 17991 220 1 1 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.369 0.140 17991 221 1 1 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.140 0.422 17991 222 1 1 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.189 0.277 17991 223 1 1 . 1 1 60 60 CYS N N 60 115.035 115.035 117.705 -2.670 17991 224 1 1 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.073 0.195 17991 225 1 1 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.347 -0.234 17991 226 1 1 . 1 1 60 60 CYS CB C 60 26.990 26.990 26.649 0.341 17991 227 1 1 . 1 1 60 60 CYS H H 60 7.913 7.913 7.553 0.360 17991 228 1 1 . 1 1 61 61 LYS N N 61 121.184 121.184 120.519 0.665 17991 229 1 1 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.976 0.296 17991 230 1 1 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.941 -0.852 17991 231 1 1 . 1 1 61 61 LYS CB C 61 32.428 32.428 31.996 0.432 17991 232 1 1 . 1 1 61 61 LYS H H 61 8.197 8.197 8.305 -0.108 17991 233 1 1 . 1 1 62 62 LYS N N 62 118.253 118.253 119.027 -0.774 17991 234 1 1 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.803 -0.959 17991 235 1 1 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.217 -0.126 17991 236 1 1 . 1 1 62 62 LYS H H 62 7.982 7.982 7.813 0.169 17991 237 1 1 . 1 1 63 63 PHE N N 63 118.763 118.763 116.274 2.489 17991 238 1 1 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.474 -0.219 17991 239 1 1 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.762 0.772 17991 240 1 1 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.223 -0.073 17991 241 1 1 . 1 1 63 63 PHE H H 63 8.155 8.155 7.465 0.690 17991 242 1 1 . 1 1 64 64 SER N N 64 114.881 114.881 115.293 -0.412 17991 243 1 1 . 1 1 64 64 SER HA H 64 4.268 4.268 4.291 -0.023 17991 244 1 1 . 1 1 64 64 SER CA C 64 61.588 61.588 62.004 -0.416 17991 245 1 1 . 1 1 64 64 SER CB C 64 63.175 63.175 63.132 0.043 17991 246 1 1 . 1 1 64 64 SER H H 64 8.218 8.218 8.046 0.172 17991 247 1 1 . 1 1 65 65 GLU N N 65 120.937 120.937 118.843 2.094 17991 248 1 1 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.248 0.036 17991 249 1 1 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.237 -0.027 17991 250 1 1 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.982 -1.020 17991 251 1 1 . 1 1 65 65 GLU H H 65 8.067 8.067 7.908 0.159 17991 252 1 1 . 1 1 66 66 LEU N N 66 118.904 118.904 119.601 -0.697 17991 253 1 1 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.023 0.240 17991 254 1 1 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.454 -0.232 17991 255 1 1 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.401 0.924 17991 256 1 1 . 1 1 66 66 LEU H H 66 8.003 8.003 7.374 0.629 17991 257 1 1 . 1 1 67 67 THR N N 67 108.190 108.190 115.282 -7.092 17991 258 1 1 . 1 1 67 67 THR HA H 67 4.043 4.043 4.231 -0.188 17991 259 1 1 . 1 1 67 67 THR CA C 67 64.579 64.579 66.407 -1.828 17991 260 1 1 . 1 1 67 67 THR CB C 67 69.410 69.410 68.269 1.141 17991 261 1 1 . 1 1 67 67 THR H H 67 7.783 7.783 8.298 -0.515 17991 262 1 1 . 1 1 68 68 GLY N N 68 108.141 108.141 107.292 0.849 17991 263 1 1 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.373 0.871 17991 264 1 1 . 1 1 68 68 GLY H H 68 7.964 7.964 7.488 0.476 17991 265 1 1 . 1 1 69 69 LEU N N 69 120.124 120.124 121.142 -1.018 17991 266 1 1 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.607 -0.255 17991 267 1 1 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.920 0.566 17991 268 1 1 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.545 -0.171 17991 269 1 1 . 1 1 69 69 LEU H H 69 7.749 7.749 7.620 0.129 17991 270 1 1 . 1 1 70 70 VAL N N 70 115.546 115.546 117.885 -2.339 17991 271 1 1 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.854 0.081 17991 272 1 1 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.901 -1.272 17991 273 1 1 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.142 0.122 17991 274 1 1 . 1 1 70 70 VAL H H 70 7.607 7.607 7.557 0.050 17991 275 1 1 . 1 1 71 71 PHE N N 71 119.035 119.035 116.942 2.093 17991 276 1 1 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.517 0.041 17991 277 1 1 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.239 -0.692 17991 278 1 1 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.688 -0.389 17991 279 1 1 . 1 1 71 71 PHE H H 71 7.618 7.618 7.962 -0.344 17991 280 1 1 . 1 1 72 72 TYR N N 72 118.365 118.365 118.855 -0.490 17991 281 1 1 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.648 -0.069 17991 282 1 1 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.075 -0.978 17991 283 1 1 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.936 -1.692 17991 284 1 1 . 1 1 72 72 TYR H H 72 7.740 7.740 7.681 0.059 17991 285 1 1 . 1 1 73 73 LEU N N 73 121.184 121.184 122.299 -1.115 17991 286 1 1 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.690 -0.115 17991 287 1 1 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.355 2.193 17991 288 1 1 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.722 -1.641 17991 289 1 1 . 1 1 73 73 LEU H H 73 7.713 7.713 7.945 -0.232 17991 290 1 1 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.536 0.102 17991 291 1 1 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.774 0.430 17991 292 1 1 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.406 -0.725 17991 293 1 1 . 1 1 75 75 THR N N 75 113.231 113.231 115.516 -2.285 17991 294 1 1 . 1 1 75 75 THR HA H 75 4.339 4.339 4.429 -0.090 17991 295 1 1 . 1 1 75 75 THR CA C 75 62.684 62.684 62.807 -0.123 17991 296 1 1 . 1 1 75 75 THR H H 75 8.217 8.217 8.152 0.065 17991 297 1 1 . 1 1 76 76 ASP N N 76 120.892 120.892 117.942 2.950 17991 298 1 1 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.577 0.213 17991 299 1 1 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.704 0.535 17991 300 1 1 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.995 -1.680 17991 301 1 1 . 1 1 76 76 ASP H H 76 8.406 8.406 7.463 0.943 17991 302 1 1 . 1 1 77 77 SER N N 77 115.861 115.861 114.390 1.471 17991 303 1 1 . 1 1 77 77 SER HA H 77 4.345 4.345 4.094 0.251 17991 304 1 1 . 1 1 77 77 SER CA C 77 60.528 60.528 59.745 0.783 17991 305 1 1 . 1 1 77 77 SER CB C 77 63.812 63.812 63.490 0.322 17991 306 1 1 . 1 1 77 77 SER H H 77 8.238 8.238 8.314 -0.076 17991 307 1 1 . 1 1 78 78 GLY N N 78 110.440 110.440 106.190 4.250 17991 308 1 1 . 1 1 78 78 GLY CA C 78 46.653 46.653 44.852 1.801 17991 309 1 1 . 1 1 78 78 GLY H H 78 8.570 8.570 7.821 0.749 17991 310 1 1 . 1 1 79 79 GLU N N 79 121.242 121.242 122.147 -0.905 17991 311 1 1 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.134 0.186 17991 312 1 1 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.317 -1.299 17991 313 1 1 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.541 -0.459 17991 314 1 1 . 1 1 79 79 GLU H H 79 8.237 8.237 8.365 -0.128 17991 315 1 1 . 1 1 80 80 LYS N N 80 119.708 119.708 118.701 1.007 17991 316 1 1 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.024 0.295 17991 317 1 1 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.975 -1.094 17991 318 1 1 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.575 1.171 17991 319 1 1 . 1 1 80 80 LYS H H 80 8.252 8.252 8.608 -0.356 17991 320 1 1 . 1 1 81 81 MET N N 81 119.849 119.849 117.789 2.060 17991 321 1 1 . 1 1 81 81 MET HA H 81 4.367 4.367 4.325 0.042 17991 322 1 1 . 1 1 81 81 MET CA C 81 57.845 57.845 59.078 -1.233 17991 323 1 1 . 1 1 81 81 MET CB C 81 32.658 32.658 32.387 0.271 17991 324 1 1 . 1 1 81 81 MET H H 81 8.419 8.419 7.734 0.685 17991 325 1 1 . 1 1 82 82 THR N N 82 114.947 114.947 114.963 -0.016 17991 326 1 1 . 1 1 82 82 THR HA H 82 4.132 4.132 3.994 0.138 17991 327 1 1 . 1 1 82 82 THR CA C 82 65.377 65.377 66.100 -0.723 17991 328 1 1 . 1 1 82 82 THR CB C 82 69.035 69.035 68.368 0.667 17991 329 1 1 . 1 1 82 82 THR H H 82 8.115 8.115 8.217 -0.102 17991 330 1 1 . 1 1 83 83 GLU N N 83 121.416 121.416 119.141 2.275 17991 331 1 1 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.252 0.121 17991 332 1 1 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.648 -0.584 17991 333 1 1 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.532 -0.591 17991 334 1 1 . 1 1 83 83 GLU H H 83 8.336 8.336 8.230 0.106 17991 335 1 1 . 1 1 84 84 SER N N 84 115.783 115.783 114.185 1.598 17991 336 1 1 . 1 1 84 84 SER HA H 84 4.278 4.278 4.399 -0.121 17991 337 1 1 . 1 1 84 84 SER CA C 84 61.685 61.685 60.103 1.582 17991 338 1 1 . 1 1 84 84 SER H H 84 8.191 8.191 7.677 0.514 17991 339 1 1 . 1 1 85 85 LYS N N 85 121.318 121.318 122.718 -1.400 17991 340 1 1 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.226 -0.141 17991 341 1 1 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.498 0.290 17991 342 1 1 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.194 0.236 17991 343 1 1 . 1 1 85 85 LYS H H 85 8.113 8.113 8.592 -0.479 17991 344 1 1 . 1 1 86 86 SER N N 86 115.042 115.042 113.899 1.143 17991 345 1 1 . 1 1 86 86 SER HA H 86 4.389 4.389 4.295 0.094 17991 346 1 1 . 1 1 86 86 SER CA C 86 61.437 61.437 60.944 0.493 17991 347 1 1 . 1 1 86 86 SER CB C 86 63.116 63.116 62.879 0.237 17991 348 1 1 . 1 1 86 86 SER H H 86 8.066 8.066 7.817 0.249 17991 349 1 1 . 1 1 87 87 VAL N N 87 122.920 122.920 121.109 1.811 17991 350 1 1 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.852 0.528 17991 351 1 1 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.115 1.008 17991 352 1 1 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.812 -0.433 17991 353 1 1 . 1 1 87 87 VAL H H 87 8.103 8.103 7.605 0.498 17991 354 1 1 . 1 1 88 88 LEU N N 88 119.501 119.501 120.691 -1.190 17991 355 1 1 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.023 0.099 17991 356 1 1 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.935 -0.029 17991 357 1 1 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.480 0.464 17991 358 1 1 . 1 1 88 88 LEU H H 88 8.146 8.146 7.741 0.405 17991 359 1 1 . 1 1 89 89 LYS N N 89 120.285 120.285 117.568 2.717 17991 360 1 1 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.105 -0.010 17991 361 1 1 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.342 0.545 17991 362 1 1 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.545 -0.319 17991 363 1 1 . 1 1 89 89 LYS H H 89 8.245 8.245 7.622 0.623 17991 364 1 1 . 1 1 90 90 SER N N 90 115.131 115.131 114.121 1.010 17991 365 1 1 . 1 1 90 90 SER HA H 90 4.362 4.362 4.381 -0.019 17991 366 1 1 . 1 1 90 90 SER CA C 90 61.815 61.815 60.036 1.779 17991 367 1 1 . 1 1 90 90 SER H H 90 8.037 8.037 7.670 0.367 17991 368 1 1 . 1 1 91 91 LEU N N 91 120.855 120.855 121.384 -0.529 17991 369 1 1 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.290 -0.142 17991 370 1 1 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.485 0.928 17991 371 1 1 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.736 0.439 17991 372 1 1 . 1 1 91 91 LEU H H 91 8.445 8.445 7.760 0.685 17991 373 1 1 . 1 1 92 92 THR N N 92 112.933 112.933 115.857 -2.924 17991 374 1 1 . 1 1 92 92 THR HA H 92 3.904 3.904 3.913 -0.009 17991 375 1 1 . 1 1 92 92 THR CA C 92 67.390 67.390 66.439 0.951 17991 376 1 1 . 1 1 92 92 THR CB C 92 69.367 69.367 68.152 1.215 17991 377 1 1 . 1 1 92 92 THR H H 92 8.383 8.383 7.668 0.715 17991 378 1 1 . 1 1 93 93 GLU N N 93 120.387 120.387 120.479 -0.092 17991 379 1 1 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.417 0.070 17991 380 1 1 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.435 -0.290 17991 381 1 1 . 1 1 93 93 GLU H H 93 7.971 7.971 8.356 -0.385 17991 382 1 1 . 1 1 94 94 LYS N N 94 118.470 118.470 117.766 0.704 17991 383 1 1 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.131 0.035 17991 384 1 1 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.352 0.694 17991 385 1 1 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.598 -0.251 17991 386 1 1 . 1 1 94 94 LYS H H 94 7.804 7.804 7.940 -0.136 17991 387 1 1 . 1 1 95 95 LEU N N 95 118.397 118.397 119.289 -0.892 17991 388 1 1 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.247 -0.088 17991 389 1 1 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.936 0.941 17991 390 1 1 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.169 -0.220 17991 391 1 1 . 1 1 95 95 LEU H H 95 8.256 8.256 7.741 0.515 17991 392 1 1 . 1 1 96 96 LYS N N 96 117.747 117.747 119.158 -1.411 17991 393 1 1 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.996 -0.056 17991 394 1 1 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.700 0.582 17991 395 1 1 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.138 0.211 17991 396 1 1 . 1 1 96 96 LYS H H 96 8.105 8.105 8.732 -0.627 17991 397 1 1 . 1 1 97 97 LYS N N 97 116.451 116.451 119.634 -3.183 17991 398 1 1 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.190 -0.023 17991 399 1 1 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.481 1.062 17991 400 1 1 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.136 0.015 17991 401 1 1 . 1 1 97 97 LYS H H 97 7.520 7.520 7.529 -0.009 17991 402 1 1 . 1 1 98 98 ILE N N 98 117.587 117.587 122.259 -4.672 17991 403 1 1 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.783 0.147 17991 404 1 1 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.865 0.434 17991 405 1 1 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.059 -0.310 17991 406 1 1 . 1 1 98 98 ILE H H 98 7.782 7.782 7.627 0.155 17991 407 1 1 . 1 1 99 99 VAL N N 99 116.989 116.989 119.831 -2.842 17991 408 1 1 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.631 0.194 17991 409 1 1 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.530 0.433 17991 410 1 1 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.422 0.060 17991 411 1 1 . 1 1 99 99 VAL H H 99 7.917 7.917 7.509 0.408 17991 412 1 1 . 1 1 100 100 GLU N N 100 116.782 116.782 119.120 -2.338 17991 413 1 1 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.198 0.015 17991 414 1 1 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.298 -0.324 17991 415 1 1 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.510 -1.587 17991 416 1 1 . 1 1 100 100 GLU H H 100 7.702 7.702 8.151 -0.449 17991 417 1 1 . 1 1 101 101 LEU N N 101 118.218 118.218 118.751 -0.533 17991 418 1 1 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.432 -0.277 17991 419 1 1 . 1 1 101 101 LEU CA C 101 55.736 55.736 55.911 -0.175 17991 420 1 1 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.251 -1.212 17991 421 1 1 . 1 1 101 101 LEU H H 101 7.751 7.751 7.799 -0.048 17991 422 1 1 . 1 1 102 102 ILE N N 102 119.412 119.412 117.624 1.788 17991 423 1 1 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.516 -0.789 17991 424 1 1 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.859 2.950 17991 425 1 1 . 1 1 102 102 ILE H H 102 7.559 7.559 8.335 -0.776 17991 426 1 1 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.362 0.225 17991 427 1 1 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.422 -0.133 17991 428 1 1 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.864 0.022 17991 429 1 1 . 1 1 104 104 SER N N 104 112.794 112.794 113.211 -0.417 17991 430 1 1 . 1 1 104 104 SER HA H 104 4.571 4.571 4.268 0.303 17991 431 1 1 . 1 1 104 104 SER CA C 104 59.286 59.286 60.403 -1.117 17991 432 1 1 . 1 1 104 104 SER CB C 104 63.849 63.849 62.758 1.091 17991 433 1 1 . 1 1 104 104 SER H H 104 8.100 8.100 8.376 -0.276 17991 434 1 1 . 1 1 105 105 THR N N 105 114.655 114.655 113.130 1.525 17991 435 1 1 . 1 1 105 105 THR HA H 105 4.318 4.318 4.436 -0.118 17991 436 1 1 . 1 1 105 105 THR CA C 105 64.056 64.056 63.873 0.183 17991 437 1 1 . 1 1 105 105 THR CB C 105 69.861 69.861 69.472 0.389 17991 438 1 1 . 1 1 105 105 THR H H 105 8.186 8.186 7.534 0.652 17991 439 1 1 . 1 1 106 106 SER N N 106 116.165 116.165 118.743 -2.578 17991 440 1 1 . 1 1 106 106 SER HA H 106 4.344 4.344 4.123 0.221 17991 441 1 1 . 1 1 106 106 SER CA C 106 60.864 60.864 61.830 -0.966 17991 442 1 1 . 1 1 106 106 SER CB C 106 63.462 63.462 62.543 0.919 17991 443 1 1 . 1 1 106 106 SER H H 106 8.200 8.200 8.048 0.152 17991 444 1 1 . 1 1 107 107 SER N N 107 116.732 116.732 118.865 -2.133 17991 445 1 1 . 1 1 107 107 SER HA H 107 4.413 4.413 4.260 0.153 17991 446 1 1 . 1 1 107 107 SER CA C 107 60.051 60.051 60.775 -0.724 17991 447 1 1 . 1 1 107 107 SER CB C 107 63.921 63.921 63.076 0.845 17991 448 1 1 . 1 1 107 107 SER H H 107 8.114 8.114 8.089 0.025 17991 449 1 1 . 1 1 108 108 ALA N N 108 122.523 122.523 122.705 -0.182 17991 450 1 1 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.402 0.032 17991 451 1 1 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.609 -0.128 17991 452 1 1 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.839 0.492 17991 453 1 1 . 1 1 108 108 ALA H H 108 8.022 8.022 8.145 -0.123 17991 454 1 1 . 1 1 109 109 VAL N N 109 117.146 117.146 121.191 -4.045 17991 455 1 1 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.782 0.006 17991 456 1 1 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.497 -1.662 17991 457 1 1 . 1 1 109 109 VAL H H 109 7.829 7.829 8.416 -0.587 17991 458 1 1 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.350 0.130 17991 459 1 1 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.021 0.424 17991 460 1 1 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.262 0.116 17991 461 1 1 . 1 1 111 111 LEU N N 111 117.393 117.393 118.749 -1.356 17991 462 1 1 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.331 -0.118 17991 463 1 1 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.896 0.886 17991 464 1 1 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.636 -0.188 17991 465 1 1 . 1 1 111 111 LEU H H 111 7.538 7.538 7.524 0.014 17991 466 1 1 . 1 1 112 112 ILE N N 112 117.001 117.001 119.400 -2.399 17991 467 1 1 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.297 -0.296 17991 468 1 1 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.079 1.547 17991 469 1 1 . 1 1 112 112 ILE H H 112 8.118 8.118 8.786 -0.668 17991 470 1 1 . 1 1 113 113 GLY N N 113 106.840 106.840 108.976 -2.136 17991 471 1 1 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.265 0.507 17991 472 1 1 . 1 1 113 113 GLY H H 113 8.409 8.409 8.587 -0.178 17991 473 1 1 . 1 1 114 114 LYS N N 114 120.736 120.736 121.806 -1.070 17991 474 1 1 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.964 0.156 17991 475 1 1 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.812 0.326 17991 476 1 1 . 1 1 114 114 LYS H H 114 7.847 7.847 7.481 0.366 17991 477 1 1 . 1 1 115 115 TYR N N 115 117.055 117.055 118.506 -1.451 17991 478 1 1 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.672 -0.400 17991 479 1 1 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.705 -0.275 17991 480 1 1 . 1 1 115 115 TYR H H 115 7.891 7.891 8.108 -0.217 17991 481 1 1 . 1 1 116 116 MET H H 116 8.170 8.170 7.664 0.506 17991 482 1 1 . 1 1 117 117 LEU N N 117 117.768 117.768 118.280 -0.512 17991 483 1 1 . 1 1 117 117 LEU HA H 117 3.909 3.909 3.986 -0.077 17991 484 1 1 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.275 1.319 17991 485 1 1 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.620 -0.284 17991 486 1 1 . 1 1 117 117 LEU H H 117 7.781 7.781 7.653 0.128 17991 487 1 1 . 1 1 118 118 PHE N N 118 118.204 118.204 119.533 -1.329 17991 488 1 1 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.105 0.323 17991 489 1 1 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.676 -0.941 17991 490 1 1 . 1 1 118 118 PHE H H 118 8.024 8.024 7.672 0.352 17991 491 1 1 . 1 1 119 119 THR N N 119 114.941 114.941 114.508 0.433 17991 492 1 1 . 1 1 119 119 THR HA H 119 3.972 3.972 4.054 -0.082 17991 493 1 1 . 1 1 119 119 THR CA C 119 67.518 67.518 66.849 0.669 17991 494 1 1 . 1 1 119 119 THR CB C 119 69.194 69.194 68.565 0.629 17991 495 1 1 . 1 1 119 119 THR H H 119 8.171 8.171 7.957 0.214 17991 496 1 1 . 1 1 120 120 LYS N N 120 121.758 121.758 121.561 0.197 17991 497 1 1 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.016 -0.036 17991 498 1 1 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.739 1.071 17991 499 1 1 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.368 0.147 17991 500 1 1 . 1 1 120 120 LYS H H 120 8.359 8.359 7.757 0.602 17991 501 1 1 . 1 1 121 121 GLU N N 121 117.504 117.504 115.841 1.663 17991 502 1 1 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.237 -0.023 17991 503 1 1 . 1 1 121 121 GLU CA C 121 59.240 59.240 57.678 1.562 17991 504 1 1 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.214 -1.831 17991 505 1 1 . 1 1 121 121 GLU H H 121 8.222 8.222 7.810 0.412 17991 506 1 1 . 1 1 122 122 PHE N N 122 121.586 121.586 118.918 2.668 17991 507 1 1 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.480 -0.186 17991 508 1 1 . 1 1 122 122 PHE CA C 122 61.574 61.574 59.804 1.770 17991 509 1 1 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.472 -1.113 17991 510 1 1 . 1 1 122 122 PHE H H 122 8.562 8.562 7.826 0.736 17991 511 1 1 . 1 1 123 123 VAL N N 123 121.558 121.558 121.097 0.461 17991 512 1 1 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.663 -0.147 17991 513 1 1 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.604 1.004 17991 514 1 1 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.902 -0.441 17991 515 1 1 . 1 1 123 123 VAL H H 123 8.784 8.784 8.965 -0.181 17991 516 1 1 . 1 1 124 124 GLU N N 124 118.314 118.314 119.557 -1.243 17991 517 1 1 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.983 0.059 17991 518 1 1 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.184 1.022 17991 519 1 1 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.944 -0.519 17991 520 1 1 . 1 1 124 124 GLU H H 124 8.564 8.564 8.633 -0.069 17991 521 1 1 . 1 1 125 125 SER N N 125 114.779 114.779 115.425 -0.646 17991 522 1 1 . 1 1 125 125 SER HA H 125 4.265 4.265 4.071 0.194 17991 523 1 1 . 1 1 125 125 SER CA C 125 62.342 62.342 61.692 0.650 17991 524 1 1 . 1 1 125 125 SER CB C 125 63.162 63.162 62.661 0.501 17991 525 1 1 . 1 1 125 125 SER H H 125 8.348 8.348 8.155 0.193 17991 526 1 1 . 1 1 126 126 SER N N 126 118.464 118.464 117.930 0.534 17991 527 1 1 . 1 1 126 126 SER HA H 126 4.069 4.069 4.163 -0.094 17991 528 1 1 . 1 1 126 126 SER CA C 126 62.846 62.846 61.869 0.977 17991 529 1 1 . 1 1 126 126 SER H H 126 8.144 8.144 8.014 0.130 17991 530 1 1 . 1 1 127 127 ILE N N 127 124.705 124.705 121.958 2.747 17991 531 1 1 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.156 -0.475 17991 532 1 1 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.060 2.581 17991 533 1 1 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.684 0.350 17991 534 1 1 . 1 1 127 127 ILE H H 127 8.280 8.280 7.717 0.563 17991 535 1 1 . 1 1 128 128 LYS N N 128 119.907 119.907 121.901 -1.994 17991 536 1 1 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.662 0.223 17991 537 1 1 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.321 -0.073 17991 538 1 1 . 1 1 128 128 LYS H H 128 7.741 7.741 7.456 0.285 17991 539 1 1 . 1 1 129 129 ILE N N 129 118.807 118.807 119.569 -0.762 17991 540 1 1 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.715 0.392 17991 541 1 1 . 1 1 129 129 ILE CA C 129 64.392 64.392 65.231 -0.839 17991 542 1 1 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.183 -0.133 17991 543 1 1 . 1 1 129 129 ILE H H 129 8.215 8.215 8.379 -0.164 17991 544 1 1 . 1 1 130 130 THR N N 130 117.328 117.328 113.426 3.902 17991 545 1 1 . 1 1 130 130 THR HA H 130 3.921 3.921 3.841 0.080 17991 546 1 1 . 1 1 130 130 THR CA C 130 68.210 68.210 65.994 2.216 17991 547 1 1 . 1 1 130 130 THR H H 130 7.988 7.988 7.719 0.269 17991 548 1 1 . 1 1 131 131 GLU N N 131 118.968 118.968 121.226 -2.258 17991 549 1 1 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.053 -0.075 17991 550 1 1 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.051 0.549 17991 551 1 1 . 1 1 131 131 GLU H H 131 8.439 8.439 7.605 0.834 17991 552 1 1 . 1 1 132 132 GLU N N 132 118.712 118.712 117.747 0.965 17991 553 1 1 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.259 -0.033 17991 554 1 1 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.469 0.797 17991 555 1 1 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.199 -1.580 17991 556 1 1 . 1 1 132 132 GLU H H 132 7.987 7.987 7.859 0.128 17991 557 1 1 . 1 1 133 133 VAL N N 133 120.060 120.060 120.564 -0.504 17991 558 1 1 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.026 -0.159 17991 559 1 1 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.156 3.174 17991 560 1 1 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.085 0.071 17991 561 1 1 . 1 1 133 133 VAL H H 133 8.341 8.341 7.575 0.766 17991 562 1 1 . 1 1 134 134 ILE N N 134 119.699 119.699 121.916 -2.217 17991 563 1 1 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.703 0.157 17991 564 1 1 . 1 1 134 134 ILE CA C 134 65.184 65.184 64.890 0.294 17991 565 1 1 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.391 0.511 17991 566 1 1 . 1 1 134 134 ILE H H 134 8.331 8.331 8.550 -0.219 17991 567 1 1 . 1 1 135 135 ASN N N 135 117.396 117.396 116.134 1.262 17991 568 1 1 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.405 0.270 17991 569 1 1 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.928 -0.423 17991 570 1 1 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.128 0.999 17991 571 1 1 . 1 1 135 135 ASN H H 135 8.318 8.318 8.373 -0.055 17991 572 1 1 . 1 1 136 136 THR N N 136 111.419 111.419 112.900 -1.481 17991 573 1 1 . 1 1 136 136 THR HA H 136 4.308 4.308 4.364 -0.056 17991 574 1 1 . 1 1 136 136 THR CA C 136 63.872 63.872 65.265 -1.393 17991 575 1 1 . 1 1 136 136 THR CB C 136 69.779 69.779 69.647 0.132 17991 576 1 1 . 1 1 136 136 THR H H 136 8.006 8.006 7.946 0.060 17991 577 1 1 . 1 1 137 137 HIS N N 137 118.612 118.612 121.684 -3.072 17991 578 1 1 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.200 0.503 17991 579 1 1 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.940 -3.480 17991 580 1 1 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.998 -1.286 17991 581 1 1 . 1 1 137 137 HIS H H 137 8.013 8.013 7.904 0.109 17991 582 1 1 . 1 1 138 138 HIS N N 138 118.709 118.709 117.333 1.376 17991 583 1 1 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.321 0.505 17991 584 1 1 . 1 1 138 138 HIS CA C 138 55.514 55.514 59.144 -3.630 17991 585 1 1 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.044 -0.798 17991 586 1 1 . 1 1 138 138 HIS H H 138 8.169 8.169 8.566 -0.397 17991 587 1 1 . 1 1 139 139 ARG N N 139 123.025 123.025 119.202 3.823 17991 588 1 1 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.208 0.358 17991 589 1 1 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.610 -2.216 17991 590 1 1 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.739 0.281 17991 591 1 1 . 1 1 139 139 ARG H H 139 8.419 8.419 8.431 -0.012 17991 592 1 2 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.638 0.100 17991 593 1 2 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.124 -0.348 17991 594 1 2 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.066 0.278 17991 595 1 2 . 1 1 8 8 HIS H H 8 8.686 8.686 8.159 0.527 17991 596 1 2 . 1 1 9 9 ALA N N 9 124.079 124.079 126.103 -2.024 17991 597 1 2 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.495 -0.108 17991 598 1 2 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.039 0.248 17991 599 1 2 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.517 -1.342 17991 600 1 2 . 1 1 9 9 ALA H H 9 8.457 8.457 8.369 0.088 17991 601 1 2 . 1 1 10 10 MET N N 10 120.430 120.430 119.013 1.417 17991 602 1 2 . 1 1 10 10 MET HA H 10 4.390 4.390 4.500 -0.110 17991 603 1 2 . 1 1 10 10 MET CA C 10 57.753 57.753 57.970 -0.217 17991 604 1 2 . 1 1 10 10 MET CB C 10 32.355 32.355 33.071 -0.716 17991 605 1 2 . 1 1 10 10 MET H H 10 8.545 8.545 8.413 0.132 17991 606 1 2 . 1 1 11 11 VAL N N 11 119.159 119.159 116.608 2.551 17991 607 1 2 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.136 -0.120 17991 608 1 2 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.664 1.607 17991 609 1 2 . 1 1 11 11 VAL CB C 11 31.611 31.611 30.972 0.639 17991 610 1 2 . 1 1 11 11 VAL H H 11 8.339 8.339 8.446 -0.107 17991 611 1 2 . 1 1 12 12 ILE N N 12 119.461 119.461 119.525 -0.064 17991 612 1 2 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.072 -0.119 17991 613 1 2 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.467 0.867 17991 614 1 2 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.419 -0.923 17991 615 1 2 . 1 1 12 12 ILE H H 12 7.705 7.705 7.991 -0.286 17991 616 1 2 . 1 1 13 13 ASP N N 13 119.460 119.460 118.953 0.507 17991 617 1 2 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.672 -0.288 17991 618 1 2 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.743 1.781 17991 619 1 2 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.230 -1.818 17991 620 1 2 . 1 1 13 13 ASP H H 13 8.172 8.172 7.859 0.313 17991 621 1 2 . 1 1 14 14 HIS N N 14 116.421 116.421 118.381 -1.960 17991 622 1 2 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.553 -0.013 17991 623 1 2 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.755 -1.007 17991 624 1 2 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.698 -2.046 17991 625 1 2 . 1 1 14 14 HIS H H 14 8.138 8.138 7.749 0.389 17991 626 1 2 . 1 1 15 15 ILE N N 15 119.970 119.970 119.857 0.113 17991 627 1 2 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.841 -0.033 17991 628 1 2 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.586 0.818 17991 629 1 2 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.796 -0.009 17991 630 1 2 . 1 1 15 15 ILE H H 15 8.224 8.224 7.756 0.468 17991 631 1 2 . 1 1 16 16 LEU N N 16 118.635 118.635 121.126 -2.491 17991 632 1 2 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.180 0.812 17991 633 1 2 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.107 0.679 17991 634 1 2 . 1 1 16 16 LEU H H 16 8.480 8.480 7.920 0.560 17991 635 1 2 . 1 1 17 17 LYS N N 17 118.257 118.257 117.797 0.460 17991 636 1 2 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.046 0.048 17991 637 1 2 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.118 0.764 17991 638 1 2 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.867 0.349 17991 639 1 2 . 1 1 17 17 LYS H H 17 8.098 8.098 7.851 0.247 17991 640 1 2 . 1 1 18 18 CYS N N 18 117.220 117.220 118.095 -0.875 17991 641 1 2 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.228 0.101 17991 642 1 2 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.863 0.355 17991 643 1 2 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.705 -0.883 17991 644 1 2 . 1 1 18 18 CYS H H 18 7.899 7.899 8.014 -0.115 17991 645 1 2 . 1 1 19 19 VAL N N 19 118.929 118.929 119.943 -1.014 17991 646 1 2 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.933 -0.208 17991 647 1 2 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.921 1.159 17991 648 1 2 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.262 -0.205 17991 649 1 2 . 1 1 19 19 VAL H H 19 8.352 8.352 7.660 0.692 17991 650 1 2 . 1 1 20 20 PHE N N 20 120.244 120.244 119.194 1.050 17991 651 1 2 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.317 -0.043 17991 652 1 2 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.248 2.378 17991 653 1 2 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.259 -0.179 17991 654 1 2 . 1 1 20 20 PHE H H 20 8.791 8.791 8.786 0.005 17991 655 1 2 . 1 1 21 21 ASP N N 21 118.761 118.761 120.281 -1.520 17991 656 1 2 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.420 -0.057 17991 657 1 2 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.043 0.474 17991 658 1 2 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.893 -0.825 17991 659 1 2 . 1 1 21 21 ASP H H 21 8.705 8.705 7.900 0.805 17991 660 1 2 . 1 1 22 22 LYS N N 22 118.200 118.200 119.762 -1.562 17991 661 1 2 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.092 0.102 17991 662 1 2 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.325 -0.732 17991 663 1 2 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.514 -0.215 17991 664 1 2 . 1 1 22 22 LYS H H 22 7.810 7.810 7.563 0.247 17991 665 1 2 . 1 1 23 23 ILE N N 23 118.534 118.534 119.091 -0.557 17991 666 1 2 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.452 0.329 17991 667 1 2 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.565 0.531 17991 668 1 2 . 1 1 23 23 ILE H H 23 8.351 8.351 7.625 0.726 17991 669 1 2 . 1 1 24 24 CYS N N 24 117.155 117.155 115.979 1.176 17991 670 1 2 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.211 -0.162 17991 671 1 2 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.980 1.519 17991 672 1 2 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.171 -0.545 17991 673 1 2 . 1 1 24 24 CYS H H 24 8.203 8.203 7.689 0.514 17991 674 1 2 . 1 1 25 25 LYS N N 25 119.995 119.995 122.441 -2.446 17991 675 1 2 . 1 1 25 25 LYS CA C 25 58.762 58.762 60.075 -1.313 17991 676 1 2 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.340 0.045 17991 677 1 2 . 1 1 25 25 LYS H H 25 7.760 7.760 7.289 0.471 17991 678 1 2 . 1 1 26 26 ILE N N 26 119.168 119.168 117.577 1.591 17991 679 1 2 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.942 0.032 17991 680 1 2 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.333 1.773 17991 681 1 2 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.926 -0.370 17991 682 1 2 . 1 1 26 26 ILE H H 26 8.055 8.055 7.516 0.539 17991 683 1 2 . 1 1 27 27 GLY N N 27 108.257 108.257 107.832 0.425 17991 684 1 2 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.415 -0.426 17991 685 1 2 . 1 1 27 27 GLY H H 27 8.568 8.568 7.715 0.853 17991 686 1 2 . 1 1 28 28 THR N N 28 112.727 112.727 115.319 -2.592 17991 687 1 2 . 1 1 28 28 THR HA H 28 3.912 3.912 3.956 -0.044 17991 688 1 2 . 1 1 28 28 THR CA C 28 64.717 64.717 66.011 -1.294 17991 689 1 2 . 1 1 28 28 THR CB C 28 69.375 69.375 67.963 1.412 17991 690 1 2 . 1 1 28 28 THR H H 28 8.059 8.059 8.067 -0.008 17991 691 1 2 . 1 1 29 29 GLU N N 29 120.068 120.068 119.767 0.301 17991 692 1 2 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.745 -1.141 17991 693 1 2 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.398 -0.305 17991 694 1 2 . 1 1 29 29 GLU H H 29 8.113 8.113 8.087 0.026 17991 695 1 2 . 1 1 30 30 SER N N 30 114.882 114.882 115.317 -0.435 17991 696 1 2 . 1 1 30 30 SER HA H 30 4.374 4.374 4.264 0.110 17991 697 1 2 . 1 1 30 30 SER CA C 30 60.353 60.353 60.377 -0.024 17991 698 1 2 . 1 1 30 30 SER H H 30 8.060 8.060 7.394 0.666 17991 699 1 2 . 1 1 31 31 VAL N N 31 122.098 122.098 121.582 0.516 17991 700 1 2 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.654 0.363 17991 701 1 2 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.817 -1.190 17991 702 1 2 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.495 0.490 17991 703 1 2 . 1 1 31 31 VAL H H 31 8.127 8.127 8.034 0.093 17991 704 1 2 . 1 1 32 32 GLU N N 32 120.280 120.280 119.850 0.430 17991 705 1 2 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.086 0.232 17991 706 1 2 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.151 -1.264 17991 707 1 2 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.344 -0.691 17991 708 1 2 . 1 1 32 32 GLU H H 32 8.243 8.243 7.437 0.806 17991 709 1 2 . 1 1 33 33 ALA N N 33 121.715 121.715 121.438 0.277 17991 710 1 2 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.956 0.233 17991 711 1 2 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.425 0.299 17991 712 1 2 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.816 0.912 17991 713 1 2 . 1 1 33 33 ALA H H 33 8.218 8.218 7.541 0.677 17991 714 1 2 . 1 1 34 34 GLY N N 34 104.656 104.656 105.465 -0.809 17991 715 1 2 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.446 0.629 17991 716 1 2 . 1 1 34 34 GLY H H 34 8.308 8.308 7.824 0.484 17991 717 1 2 . 1 1 35 35 ARG N N 35 119.958 119.958 121.023 -1.065 17991 718 1 2 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.134 0.142 17991 719 1 2 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.553 2.472 17991 720 1 2 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.364 0.925 17991 721 1 2 . 1 1 35 35 ARG H H 35 7.975 7.975 7.404 0.571 17991 722 1 2 . 1 1 36 36 LEU N N 36 118.931 118.931 121.480 -2.549 17991 723 1 2 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.080 0.144 17991 724 1 2 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.310 -0.507 17991 725 1 2 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.887 0.306 17991 726 1 2 . 1 1 36 36 LEU H H 36 7.958 7.958 8.513 -0.555 17991 727 1 2 . 1 1 37 37 ILE N N 37 118.087 118.087 118.476 -0.389 17991 728 1 2 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.696 0.235 17991 729 1 2 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.333 0.526 17991 730 1 2 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.660 0.379 17991 731 1 2 . 1 1 37 37 ILE H H 37 7.904 7.904 7.687 0.217 17991 732 1 2 . 1 1 38 38 GLU N N 38 120.989 120.989 120.832 0.157 17991 733 1 2 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.989 0.242 17991 734 1 2 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.349 -0.904 17991 735 1 2 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.562 -0.551 17991 736 1 2 . 1 1 38 38 GLU H H 38 8.041 8.041 7.464 0.577 17991 737 1 2 . 1 1 39 39 LEU N N 39 120.111 120.111 120.366 -0.255 17991 738 1 2 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.031 0.240 17991 739 1 2 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.683 -0.272 17991 740 1 2 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.375 0.920 17991 741 1 2 . 1 1 39 39 LEU H H 39 8.173 8.173 7.814 0.359 17991 742 1 2 . 1 1 40 40 SER N N 40 113.806 113.806 113.395 0.411 17991 743 1 2 . 1 1 40 40 SER HA H 40 4.312 4.312 4.094 0.218 17991 744 1 2 . 1 1 40 40 SER CA C 40 60.406 60.406 61.101 -0.695 17991 745 1 2 . 1 1 40 40 SER CB C 40 63.646 63.646 62.977 0.669 17991 746 1 2 . 1 1 40 40 SER H H 40 8.031 8.031 7.727 0.304 17991 747 1 2 . 1 1 41 41 GLN N N 41 120.139 120.139 117.446 2.693 17991 748 1 2 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.136 0.260 17991 749 1 2 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.865 -1.264 17991 750 1 2 . 1 1 41 41 GLN CB C 41 29.385 29.385 28.932 0.453 17991 751 1 2 . 1 1 41 41 GLN H H 41 7.956 7.956 7.857 0.099 17991 752 1 2 . 1 1 42 42 GLU N N 42 119.728 119.728 115.060 4.668 17991 753 1 2 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.318 0.055 17991 754 1 2 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.582 0.507 17991 755 1 2 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.570 -2.215 17991 756 1 2 . 1 1 42 42 GLU H H 42 8.114 8.114 7.811 0.303 17991 757 1 2 . 1 1 43 43 GLY N N 43 108.655 108.655 109.047 -0.392 17991 758 1 2 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.269 -0.646 17991 759 1 2 . 1 1 43 43 GLY H H 43 8.325 8.325 8.009 0.316 17991 760 1 2 . 1 1 44 44 GLY N N 44 107.872 107.872 108.063 -0.191 17991 761 1 2 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.842 0.645 17991 762 1 2 . 1 1 44 44 GLY H H 44 8.105 8.105 8.057 0.048 17991 763 1 2 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.756 1.639 17991 764 1 2 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.518 -0.049 17991 765 1 2 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.045 1.385 17991 766 1 2 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.065 0.256 17991 767 1 2 . 1 1 50 50 LEU N N 50 116.864 116.864 118.525 -1.661 17991 768 1 2 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.418 -0.216 17991 769 1 2 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.420 2.129 17991 770 1 2 . 1 1 50 50 LEU CB C 50 41.699 41.699 39.947 1.752 17991 771 1 2 . 1 1 50 50 LEU H H 50 8.336 8.336 8.200 0.136 17991 772 1 2 . 1 1 51 51 TYR N N 51 118.433 118.433 121.024 -2.591 17991 773 1 2 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.086 0.079 17991 774 1 2 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.268 -0.234 17991 775 1 2 . 1 1 51 51 TYR CB C 51 38.484 38.484 37.421 1.063 17991 776 1 2 . 1 1 51 51 TYR H H 51 7.765 7.765 7.897 -0.132 17991 777 1 2 . 1 1 52 52 PHE N N 52 117.945 117.945 119.471 -1.526 17991 778 1 2 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.381 0.879 17991 779 1 2 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.840 0.411 17991 780 1 2 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.066 0.253 17991 781 1 2 . 1 1 52 52 PHE H H 52 7.873 7.873 7.252 0.621 17991 782 1 2 . 1 1 53 53 VAL N N 53 117.468 117.468 115.967 1.501 17991 783 1 2 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.355 0.297 17991 784 1 2 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.761 0.537 17991 785 1 2 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.364 0.446 17991 786 1 2 . 1 1 53 53 VAL H H 53 7.864 7.864 7.739 0.125 17991 787 1 2 . 1 1 54 54 VAL N N 54 116.929 116.929 121.264 -4.335 17991 788 1 2 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.690 0.012 17991 789 1 2 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.527 -0.460 17991 790 1 2 . 1 1 54 54 VAL CB C 54 31.801 31.801 30.986 0.815 17991 791 1 2 . 1 1 54 54 VAL H H 54 7.958 7.958 8.667 -0.709 17991 792 1 2 . 1 1 55 55 ASN N N 55 115.543 115.543 118.002 -2.459 17991 793 1 2 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.551 0.079 17991 794 1 2 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.566 -0.106 17991 795 1 2 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.149 0.780 17991 796 1 2 . 1 1 55 55 ASN H H 55 7.823 7.823 7.923 -0.100 17991 797 1 2 . 1 1 56 56 VAL N N 56 116.125 116.125 119.993 -3.868 17991 798 1 2 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.722 0.375 17991 799 1 2 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.322 -1.183 17991 800 1 2 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.800 0.203 17991 801 1 2 . 1 1 56 56 VAL H H 56 7.664 7.664 7.745 -0.081 17991 802 1 2 . 1 1 57 57 ILE N N 57 116.872 116.872 118.777 -1.905 17991 803 1 2 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.608 0.401 17991 804 1 2 . 1 1 57 57 ILE CA C 57 63.550 63.550 64.611 -1.061 17991 805 1 2 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.496 0.267 17991 806 1 2 . 1 1 57 57 ILE H H 57 7.587 7.587 8.256 -0.669 17991 807 1 2 . 1 1 58 58 GLU N N 58 118.190 118.190 120.573 -2.383 17991 808 1 2 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.122 0.077 17991 809 1 2 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.881 -1.576 17991 810 1 2 . 1 1 58 58 GLU H H 58 8.114 8.114 7.711 0.403 17991 811 1 2 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.342 0.167 17991 812 1 2 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.041 0.521 17991 813 1 2 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.291 0.175 17991 814 1 2 . 1 1 60 60 CYS N N 60 115.035 115.035 117.625 -2.590 17991 815 1 2 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.163 0.105 17991 816 1 2 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.849 -0.736 17991 817 1 2 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.839 -0.849 17991 818 1 2 . 1 1 60 60 CYS H H 60 7.913 7.913 7.531 0.382 17991 819 1 2 . 1 1 61 61 LYS N N 61 121.184 121.184 120.606 0.578 17991 820 1 2 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.005 0.267 17991 821 1 2 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.986 -0.897 17991 822 1 2 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.106 0.322 17991 823 1 2 . 1 1 61 61 LYS H H 61 8.197 8.197 7.968 0.229 17991 824 1 2 . 1 1 62 62 LYS N N 62 118.253 118.253 117.007 1.246 17991 825 1 2 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.012 -1.168 17991 826 1 2 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.168 -0.078 17991 827 1 2 . 1 1 62 62 LYS H H 62 7.982 7.982 7.804 0.178 17991 828 1 2 . 1 1 63 63 PHE N N 63 118.763 118.763 117.609 1.154 17991 829 1 2 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.576 -0.321 17991 830 1 2 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.648 0.886 17991 831 1 2 . 1 1 63 63 PHE CB C 63 39.150 39.150 40.074 -0.924 17991 832 1 2 . 1 1 63 63 PHE H H 63 8.155 8.155 7.548 0.607 17991 833 1 2 . 1 1 64 64 SER N N 64 114.881 114.881 117.825 -2.944 17991 834 1 2 . 1 1 64 64 SER HA H 64 4.268 4.268 3.778 0.490 17991 835 1 2 . 1 1 64 64 SER CA C 64 61.588 61.588 62.059 -0.471 17991 836 1 2 . 1 1 64 64 SER CB C 64 63.175 63.175 62.846 0.328 17991 837 1 2 . 1 1 64 64 SER H H 64 8.218 8.218 7.950 0.268 17991 838 1 2 . 1 1 65 65 GLU N N 65 120.937 120.937 120.433 0.504 17991 839 1 2 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.012 0.272 17991 840 1 2 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.787 -0.576 17991 841 1 2 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.385 -0.423 17991 842 1 2 . 1 1 65 65 GLU H H 65 8.067 8.067 7.565 0.502 17991 843 1 2 . 1 1 66 66 LEU N N 66 118.904 118.904 118.528 0.376 17991 844 1 2 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.049 0.214 17991 845 1 2 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.371 -0.149 17991 846 1 2 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.680 0.645 17991 847 1 2 . 1 1 66 66 LEU H H 66 8.003 8.003 7.560 0.443 17991 848 1 2 . 1 1 67 67 THR N N 67 108.190 108.190 112.996 -4.806 17991 849 1 2 . 1 1 67 67 THR HA H 67 4.043 4.043 4.014 0.029 17991 850 1 2 . 1 1 67 67 THR CA C 67 64.579 64.579 65.264 -0.685 17991 851 1 2 . 1 1 67 67 THR CB C 67 69.410 69.410 68.372 1.038 17991 852 1 2 . 1 1 67 67 THR H H 67 7.783 7.783 7.102 0.681 17991 853 1 2 . 1 1 68 68 GLY N N 68 108.141 108.141 107.401 0.740 17991 854 1 2 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.246 0.998 17991 855 1 2 . 1 1 68 68 GLY H H 68 7.964 7.964 7.360 0.604 17991 856 1 2 . 1 1 69 69 LEU N N 69 120.124 120.124 121.275 -1.151 17991 857 1 2 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.669 -0.317 17991 858 1 2 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.771 0.715 17991 859 1 2 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.738 -0.364 17991 860 1 2 . 1 1 69 69 LEU H H 69 7.749 7.749 7.522 0.227 17991 861 1 2 . 1 1 70 70 VAL N N 70 115.546 115.546 118.180 -2.634 17991 862 1 2 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.884 0.051 17991 863 1 2 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.611 -0.981 17991 864 1 2 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.139 0.125 17991 865 1 2 . 1 1 70 70 VAL H H 70 7.607 7.607 7.529 0.078 17991 866 1 2 . 1 1 71 71 PHE N N 71 119.035 119.035 115.460 3.575 17991 867 1 2 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.530 0.028 17991 868 1 2 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.920 -0.373 17991 869 1 2 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.230 -0.930 17991 870 1 2 . 1 1 71 71 PHE H H 71 7.618 7.618 7.862 -0.244 17991 871 1 2 . 1 1 72 72 TYR N N 72 118.365 118.365 119.398 -1.033 17991 872 1 2 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.540 0.039 17991 873 1 2 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.594 -1.497 17991 874 1 2 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.016 -1.772 17991 875 1 2 . 1 1 72 72 TYR H H 72 7.740 7.740 7.589 0.151 17991 876 1 2 . 1 1 73 73 LEU N N 73 121.184 121.184 120.524 0.660 17991 877 1 2 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.741 -0.166 17991 878 1 2 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.051 1.498 17991 879 1 2 . 1 1 73 73 LEU CB C 73 42.081 42.081 44.404 -2.323 17991 880 1 2 . 1 1 73 73 LEU H H 73 7.713 7.713 7.662 0.051 17991 881 1 2 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.688 -0.050 17991 882 1 2 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.298 0.905 17991 883 1 2 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.609 -0.928 17991 884 1 2 . 1 1 75 75 THR N N 75 113.231 113.231 116.401 -3.170 17991 885 1 2 . 1 1 75 75 THR HA H 75 4.339 4.339 4.074 0.265 17991 886 1 2 . 1 1 75 75 THR CA C 75 62.684 62.684 64.446 -1.762 17991 887 1 2 . 1 1 75 75 THR H H 75 8.217 8.217 8.579 -0.362 17991 888 1 2 . 1 1 76 76 ASP N N 76 120.892 120.892 116.471 4.421 17991 889 1 2 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.626 0.164 17991 890 1 2 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.081 1.158 17991 891 1 2 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.735 -1.420 17991 892 1 2 . 1 1 76 76 ASP H H 76 8.406 8.406 7.431 0.975 17991 893 1 2 . 1 1 77 77 SER N N 77 115.861 115.861 115.334 0.527 17991 894 1 2 . 1 1 77 77 SER HA H 77 4.345 4.345 4.006 0.339 17991 895 1 2 . 1 1 77 77 SER CA C 77 60.528 60.528 60.035 0.493 17991 896 1 2 . 1 1 77 77 SER CB C 77 63.812 63.812 63.136 0.675 17991 897 1 2 . 1 1 77 77 SER H H 77 8.238 8.238 8.410 -0.172 17991 898 1 2 . 1 1 78 78 GLY N N 78 110.440 110.440 106.493 3.947 17991 899 1 2 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.133 1.520 17991 900 1 2 . 1 1 78 78 GLY H H 78 8.570 8.570 7.711 0.859 17991 901 1 2 . 1 1 79 79 GLU N N 79 121.242 121.242 121.356 -0.114 17991 902 1 2 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.291 0.029 17991 903 1 2 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.796 -0.778 17991 904 1 2 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.698 -0.616 17991 905 1 2 . 1 1 79 79 GLU H H 79 8.237 8.237 8.337 -0.100 17991 906 1 2 . 1 1 80 80 LYS N N 80 119.708 119.708 118.697 1.011 17991 907 1 2 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.153 0.166 17991 908 1 2 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.532 -0.651 17991 909 1 2 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.113 0.633 17991 910 1 2 . 1 1 80 80 LYS H H 80 8.252 8.252 8.300 -0.048 17991 911 1 2 . 1 1 81 81 MET N N 81 119.849 119.849 117.379 2.470 17991 912 1 2 . 1 1 81 81 MET HA H 81 4.367 4.367 4.309 0.058 17991 913 1 2 . 1 1 81 81 MET CA C 81 57.845 57.845 59.465 -1.620 17991 914 1 2 . 1 1 81 81 MET CB C 81 32.658 32.658 32.244 0.414 17991 915 1 2 . 1 1 81 81 MET H H 81 8.419 8.419 7.990 0.429 17991 916 1 2 . 1 1 82 82 THR N N 82 114.947 114.947 113.924 1.023 17991 917 1 2 . 1 1 82 82 THR HA H 82 4.132 4.132 3.897 0.235 17991 918 1 2 . 1 1 82 82 THR CA C 82 65.377 65.377 65.931 -0.554 17991 919 1 2 . 1 1 82 82 THR CB C 82 69.035 69.035 68.386 0.649 17991 920 1 2 . 1 1 82 82 THR H H 82 8.115 8.115 7.687 0.428 17991 921 1 2 . 1 1 83 83 GLU N N 83 121.416 121.416 118.890 2.526 17991 922 1 2 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.270 0.103 17991 923 1 2 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.758 -0.694 17991 924 1 2 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.531 -0.589 17991 925 1 2 . 1 1 83 83 GLU H H 83 8.336 8.336 7.824 0.512 17991 926 1 2 . 1 1 84 84 SER N N 84 115.783 115.783 114.229 1.554 17991 927 1 2 . 1 1 84 84 SER HA H 84 4.278 4.278 4.508 -0.230 17991 928 1 2 . 1 1 84 84 SER CA C 84 61.685 61.685 60.546 1.139 17991 929 1 2 . 1 1 84 84 SER H H 84 8.191 8.191 7.948 0.243 17991 930 1 2 . 1 1 85 85 LYS N N 85 121.318 121.318 122.315 -0.997 17991 931 1 2 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.076 0.009 17991 932 1 2 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.167 0.621 17991 933 1 2 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.452 -0.022 17991 934 1 2 . 1 1 85 85 LYS H H 85 8.113 8.113 8.394 -0.281 17991 935 1 2 . 1 1 86 86 SER N N 86 115.042 115.042 115.410 -0.368 17991 936 1 2 . 1 1 86 86 SER HA H 86 4.389 4.389 4.270 0.119 17991 937 1 2 . 1 1 86 86 SER CA C 86 61.437 61.437 61.046 0.391 17991 938 1 2 . 1 1 86 86 SER CB C 86 63.116 63.116 62.774 0.342 17991 939 1 2 . 1 1 86 86 SER H H 86 8.066 8.066 7.749 0.317 17991 940 1 2 . 1 1 87 87 VAL N N 87 122.920 122.920 121.720 1.200 17991 941 1 2 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.846 0.534 17991 942 1 2 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.162 0.961 17991 943 1 2 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.461 -0.082 17991 944 1 2 . 1 1 87 87 VAL H H 87 8.103 8.103 7.703 0.400 17991 945 1 2 . 1 1 88 88 LEU N N 88 119.501 119.501 119.896 -0.395 17991 946 1 2 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.755 0.367 17991 947 1 2 . 1 1 88 88 LEU CA C 88 57.906 57.906 58.022 -0.116 17991 948 1 2 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.367 0.577 17991 949 1 2 . 1 1 88 88 LEU H H 88 8.146 8.146 7.683 0.463 17991 950 1 2 . 1 1 89 89 LYS N N 89 120.285 120.285 117.964 2.321 17991 951 1 2 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.119 -0.024 17991 952 1 2 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.456 1.431 17991 953 1 2 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.260 -0.034 17991 954 1 2 . 1 1 89 89 LYS H H 89 8.245 8.245 7.794 0.451 17991 955 1 2 . 1 1 90 90 SER N N 90 115.131 115.131 114.298 0.833 17991 956 1 2 . 1 1 90 90 SER HA H 90 4.362 4.362 4.399 -0.037 17991 957 1 2 . 1 1 90 90 SER CA C 90 61.815 61.815 60.057 1.758 17991 958 1 2 . 1 1 90 90 SER H H 90 8.037 8.037 7.522 0.515 17991 959 1 2 . 1 1 91 91 LEU N N 91 120.855 120.855 122.146 -1.291 17991 960 1 2 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.184 -0.036 17991 961 1 2 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.713 0.700 17991 962 1 2 . 1 1 91 91 LEU CB C 91 42.175 42.175 42.172 0.003 17991 963 1 2 . 1 1 91 91 LEU H H 91 8.445 8.445 7.913 0.532 17991 964 1 2 . 1 1 92 92 THR N N 92 112.933 112.933 114.819 -1.886 17991 965 1 2 . 1 1 92 92 THR HA H 92 3.904 3.904 3.900 0.004 17991 966 1 2 . 1 1 92 92 THR CA C 92 67.390 67.390 66.420 0.970 17991 967 1 2 . 1 1 92 92 THR CB C 92 69.367 69.367 68.290 1.077 17991 968 1 2 . 1 1 92 92 THR H H 92 8.383 8.383 7.686 0.697 17991 969 1 2 . 1 1 93 93 GLU N N 93 120.387 120.387 120.957 -0.570 17991 970 1 2 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.728 -0.241 17991 971 1 2 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.390 -0.245 17991 972 1 2 . 1 1 93 93 GLU H H 93 7.971 7.971 7.880 0.091 17991 973 1 2 . 1 1 94 94 LYS N N 94 118.470 118.470 117.885 0.585 17991 974 1 2 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.026 0.140 17991 975 1 2 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.989 0.057 17991 976 1 2 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.350 -0.003 17991 977 1 2 . 1 1 94 94 LYS H H 94 7.804 7.804 7.754 0.050 17991 978 1 2 . 1 1 95 95 LEU N N 95 118.397 118.397 118.210 0.187 17991 979 1 2 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.229 -0.070 17991 980 1 2 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.942 0.935 17991 981 1 2 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.212 -0.263 17991 982 1 2 . 1 1 95 95 LEU H H 95 8.256 8.256 7.727 0.529 17991 983 1 2 . 1 1 96 96 LYS N N 96 117.747 117.747 119.736 -1.989 17991 984 1 2 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.014 -0.074 17991 985 1 2 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.359 0.923 17991 986 1 2 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.021 0.328 17991 987 1 2 . 1 1 96 96 LYS H H 96 8.105 8.105 8.554 -0.449 17991 988 1 2 . 1 1 97 97 LYS N N 97 116.451 116.451 118.713 -2.262 17991 989 1 2 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.202 -0.035 17991 990 1 2 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.014 1.529 17991 991 1 2 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.819 0.332 17991 992 1 2 . 1 1 97 97 LYS H H 97 7.520 7.520 8.155 -0.635 17991 993 1 2 . 1 1 98 98 ILE N N 98 117.587 117.587 122.845 -5.258 17991 994 1 2 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.792 0.138 17991 995 1 2 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.872 0.427 17991 996 1 2 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.046 -0.297 17991 997 1 2 . 1 1 98 98 ILE H H 98 7.782 7.782 7.597 0.185 17991 998 1 2 . 1 1 99 99 VAL N N 99 116.989 116.989 120.108 -3.119 17991 999 1 2 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.700 0.125 17991 1000 1 2 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.209 0.754 17991 1001 1 2 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.811 -0.329 17991 1002 1 2 . 1 1 99 99 VAL H H 99 7.917 7.917 7.560 0.357 17991 1003 1 2 . 1 1 100 100 GLU N N 100 116.782 116.782 119.448 -2.666 17991 1004 1 2 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.193 0.020 17991 1005 1 2 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.048 -0.074 17991 1006 1 2 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.331 -1.408 17991 1007 1 2 . 1 1 100 100 GLU H H 100 7.702 7.702 8.300 -0.598 17991 1008 1 2 . 1 1 101 101 LEU N N 101 118.218 118.218 120.370 -2.152 17991 1009 1 2 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.395 -0.240 17991 1010 1 2 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.454 -0.718 17991 1011 1 2 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.569 -1.530 17991 1012 1 2 . 1 1 101 101 LEU H H 101 7.751 7.751 7.752 -0.001 17991 1013 1 2 . 1 1 102 102 ILE N N 102 119.412 119.412 117.348 2.064 17991 1014 1 2 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.482 -0.755 17991 1015 1 2 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.973 2.836 17991 1016 1 2 . 1 1 102 102 ILE H H 102 7.559 7.559 8.280 -0.721 17991 1017 1 2 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.370 0.217 17991 1018 1 2 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.285 0.004 17991 1019 1 2 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.950 -0.064 17991 1020 1 2 . 1 1 104 104 SER N N 104 112.794 112.794 113.853 -1.059 17991 1021 1 2 . 1 1 104 104 SER HA H 104 4.571 4.571 4.342 0.229 17991 1022 1 2 . 1 1 104 104 SER CA C 104 59.286 59.286 61.163 -1.877 17991 1023 1 2 . 1 1 104 104 SER CB C 104 63.849 63.849 62.955 0.894 17991 1024 1 2 . 1 1 104 104 SER H H 104 8.100 8.100 8.558 -0.458 17991 1025 1 2 . 1 1 105 105 THR N N 105 114.655 114.655 113.969 0.686 17991 1026 1 2 . 1 1 105 105 THR HA H 105 4.318 4.318 4.421 -0.103 17991 1027 1 2 . 1 1 105 105 THR CA C 105 64.056 64.056 63.246 0.810 17991 1028 1 2 . 1 1 105 105 THR CB C 105 69.861 69.861 68.613 1.248 17991 1029 1 2 . 1 1 105 105 THR H H 105 8.186 8.186 7.684 0.502 17991 1030 1 2 . 1 1 106 106 SER N N 106 116.165 116.165 118.109 -1.944 17991 1031 1 2 . 1 1 106 106 SER HA H 106 4.344 4.344 4.109 0.235 17991 1032 1 2 . 1 1 106 106 SER CA C 106 60.864 60.864 61.281 -0.417 17991 1033 1 2 . 1 1 106 106 SER CB C 106 63.462 63.462 62.630 0.832 17991 1034 1 2 . 1 1 106 106 SER H H 106 8.200 8.200 8.013 0.187 17991 1035 1 2 . 1 1 107 107 SER N N 107 116.732 116.732 118.329 -1.597 17991 1036 1 2 . 1 1 107 107 SER HA H 107 4.413 4.413 4.234 0.179 17991 1037 1 2 . 1 1 107 107 SER CA C 107 60.051 60.051 60.908 -0.857 17991 1038 1 2 . 1 1 107 107 SER CB C 107 63.921 63.921 62.874 1.047 17991 1039 1 2 . 1 1 107 107 SER H H 107 8.114 8.114 8.110 0.004 17991 1040 1 2 . 1 1 108 108 ALA N N 108 122.523 122.523 122.244 0.279 17991 1041 1 2 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.325 0.109 17991 1042 1 2 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.337 0.145 17991 1043 1 2 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.877 0.454 17991 1044 1 2 . 1 1 108 108 ALA H H 108 8.022 8.022 8.081 -0.059 17991 1045 1 2 . 1 1 109 109 VAL N N 109 117.146 117.146 121.500 -4.354 17991 1046 1 2 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.820 -0.032 17991 1047 1 2 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.487 -1.652 17991 1048 1 2 . 1 1 109 109 VAL H H 109 7.829 7.829 8.337 -0.508 17991 1049 1 2 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.360 0.120 17991 1050 1 2 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.054 0.391 17991 1051 1 2 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.271 0.108 17991 1052 1 2 . 1 1 111 111 LEU N N 111 117.393 117.393 118.690 -1.297 17991 1053 1 2 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.343 -0.130 17991 1054 1 2 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.945 0.837 17991 1055 1 2 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.670 -0.222 17991 1056 1 2 . 1 1 111 111 LEU H H 111 7.538 7.538 7.526 0.012 17991 1057 1 2 . 1 1 112 112 ILE N N 112 117.001 117.001 119.407 -2.406 17991 1058 1 2 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.237 -0.236 17991 1059 1 2 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.100 1.526 17991 1060 1 2 . 1 1 112 112 ILE H H 112 8.118 8.118 8.870 -0.752 17991 1061 1 2 . 1 1 113 113 GLY N N 113 106.840 106.840 108.731 -1.891 17991 1062 1 2 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.206 0.566 17991 1063 1 2 . 1 1 113 113 GLY H H 113 8.409 8.409 8.576 -0.167 17991 1064 1 2 . 1 1 114 114 LYS N N 114 120.736 120.736 121.785 -1.049 17991 1065 1 2 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.972 0.148 17991 1066 1 2 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.914 0.224 17991 1067 1 2 . 1 1 114 114 LYS H H 114 7.847 7.847 7.525 0.322 17991 1068 1 2 . 1 1 115 115 TYR N N 115 117.055 117.055 117.692 -0.637 17991 1069 1 2 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.630 -0.357 17991 1070 1 2 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.391 0.039 17991 1071 1 2 . 1 1 115 115 TYR H H 115 7.891 7.891 8.131 -0.240 17991 1072 1 2 . 1 1 116 116 MET H H 116 8.170 8.170 7.808 0.362 17991 1073 1 2 . 1 1 117 117 LEU N N 117 117.768 117.768 118.493 -0.725 17991 1074 1 2 . 1 1 117 117 LEU HA H 117 3.909 3.909 3.988 -0.079 17991 1075 1 2 . 1 1 117 117 LEU CA C 117 58.594 58.594 58.045 0.549 17991 1076 1 2 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.639 -0.303 17991 1077 1 2 . 1 1 117 117 LEU H H 117 7.781 7.781 7.673 0.108 17991 1078 1 2 . 1 1 118 118 PHE N N 118 118.204 118.204 117.981 0.223 17991 1079 1 2 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.139 0.289 17991 1080 1 2 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.666 -0.931 17991 1081 1 2 . 1 1 118 118 PHE H H 118 8.024 8.024 7.851 0.172 17991 1082 1 2 . 1 1 119 119 THR N N 119 114.941 114.941 113.301 1.640 17991 1083 1 2 . 1 1 119 119 THR HA H 119 3.972 3.972 4.284 -0.312 17991 1084 1 2 . 1 1 119 119 THR CA C 119 67.518 67.518 66.112 1.406 17991 1085 1 2 . 1 1 119 119 THR CB C 119 69.194 69.194 68.971 0.223 17991 1086 1 2 . 1 1 119 119 THR H H 119 8.171 8.171 7.800 0.371 17991 1087 1 2 . 1 1 120 120 LYS N N 120 121.758 121.758 121.745 0.013 17991 1088 1 2 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.044 -0.064 17991 1089 1 2 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.477 1.333 17991 1090 1 2 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.218 0.297 17991 1091 1 2 . 1 1 120 120 LYS H H 120 8.359 8.359 7.592 0.767 17991 1092 1 2 . 1 1 121 121 GLU N N 121 117.504 117.504 116.101 1.403 17991 1093 1 2 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.245 -0.031 17991 1094 1 2 . 1 1 121 121 GLU CA C 121 59.240 59.240 57.797 1.443 17991 1095 1 2 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.937 -1.554 17991 1096 1 2 . 1 1 121 121 GLU H H 121 8.222 8.222 7.795 0.427 17991 1097 1 2 . 1 1 122 122 PHE N N 122 121.586 121.586 120.301 1.285 17991 1098 1 2 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.427 -0.133 17991 1099 1 2 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.223 1.351 17991 1100 1 2 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.373 -1.014 17991 1101 1 2 . 1 1 122 122 PHE H H 122 8.562 8.562 7.998 0.564 17991 1102 1 2 . 1 1 123 123 VAL N N 123 121.558 121.558 121.365 0.193 17991 1103 1 2 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.763 -0.247 17991 1104 1 2 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.148 1.460 17991 1105 1 2 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.950 -0.489 17991 1106 1 2 . 1 1 123 123 VAL H H 123 8.784 8.784 8.563 0.221 17991 1107 1 2 . 1 1 124 124 GLU N N 124 118.314 118.314 119.775 -1.461 17991 1108 1 2 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.997 0.045 17991 1109 1 2 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.371 0.836 17991 1110 1 2 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.938 -0.513 17991 1111 1 2 . 1 1 124 124 GLU H H 124 8.564 8.564 8.588 -0.024 17991 1112 1 2 . 1 1 125 125 SER N N 125 114.779 114.779 115.590 -0.811 17991 1113 1 2 . 1 1 125 125 SER HA H 125 4.265 4.265 4.179 0.086 17991 1114 1 2 . 1 1 125 125 SER CA C 125 62.342 62.342 61.593 0.749 17991 1115 1 2 . 1 1 125 125 SER CB C 125 63.162 63.162 62.621 0.541 17991 1116 1 2 . 1 1 125 125 SER H H 125 8.348 8.348 8.233 0.115 17991 1117 1 2 . 1 1 126 126 SER N N 126 118.464 118.464 117.575 0.889 17991 1118 1 2 . 1 1 126 126 SER HA H 126 4.069 4.069 4.313 -0.244 17991 1119 1 2 . 1 1 126 126 SER CA C 126 62.846 62.846 62.185 0.661 17991 1120 1 2 . 1 1 126 126 SER H H 126 8.144 8.144 8.029 0.115 17991 1121 1 2 . 1 1 127 127 ILE N N 127 124.705 124.705 117.858 6.847 17991 1122 1 2 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.100 -0.419 17991 1123 1 2 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.497 2.144 17991 1124 1 2 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.443 0.591 17991 1125 1 2 . 1 1 127 127 ILE H H 127 8.280 8.280 7.466 0.814 17991 1126 1 2 . 1 1 128 128 LYS N N 128 119.907 119.907 120.675 -0.768 17991 1127 1 2 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.257 0.628 17991 1128 1 2 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.444 -0.196 17991 1129 1 2 . 1 1 128 128 LYS H H 128 7.741 7.741 7.521 0.220 17991 1130 1 2 . 1 1 129 129 ILE N N 129 118.807 118.807 117.984 0.823 17991 1131 1 2 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.891 0.216 17991 1132 1 2 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.815 -0.423 17991 1133 1 2 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.544 -0.494 17991 1134 1 2 . 1 1 129 129 ILE H H 129 8.215 8.215 7.849 0.366 17991 1135 1 2 . 1 1 130 130 THR N N 130 117.328 117.328 113.722 3.606 17991 1136 1 2 . 1 1 130 130 THR HA H 130 3.921 3.921 3.857 0.064 17991 1137 1 2 . 1 1 130 130 THR CA C 130 68.210 68.210 66.204 2.006 17991 1138 1 2 . 1 1 130 130 THR H H 130 7.988 7.988 8.156 -0.168 17991 1139 1 2 . 1 1 131 131 GLU N N 131 118.968 118.968 121.839 -2.871 17991 1140 1 2 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.078 -0.100 17991 1141 1 2 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.987 0.612 17991 1142 1 2 . 1 1 131 131 GLU H H 131 8.439 8.439 7.836 0.603 17991 1143 1 2 . 1 1 132 132 GLU N N 132 118.712 118.712 118.573 0.139 17991 1144 1 2 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.251 -0.025 17991 1145 1 2 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.084 1.183 17991 1146 1 2 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.365 -1.746 17991 1147 1 2 . 1 1 132 132 GLU H H 132 7.987 7.987 7.846 0.141 17991 1148 1 2 . 1 1 133 133 VAL N N 133 120.060 120.060 120.730 -0.670 17991 1149 1 2 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.889 -0.022 17991 1150 1 2 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.413 1.917 17991 1151 1 2 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.469 0.687 17991 1152 1 2 . 1 1 133 133 VAL H H 133 8.341 8.341 7.856 0.485 17991 1153 1 2 . 1 1 134 134 ILE N N 134 119.699 119.699 115.806 3.893 17991 1154 1 2 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.839 0.021 17991 1155 1 2 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.841 1.343 17991 1156 1 2 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.119 0.783 17991 1157 1 2 . 1 1 134 134 ILE H H 134 8.331 8.331 7.456 0.875 17991 1158 1 2 . 1 1 135 135 ASN N N 135 117.396 117.396 117.694 -0.298 17991 1159 1 2 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.474 0.201 17991 1160 1 2 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.025 -0.520 17991 1161 1 2 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.342 0.785 17991 1162 1 2 . 1 1 135 135 ASN H H 135 8.318 8.318 7.946 0.372 17991 1163 1 2 . 1 1 136 136 THR N N 136 111.419 111.419 113.588 -2.169 17991 1164 1 2 . 1 1 136 136 THR HA H 136 4.308 4.308 4.347 -0.039 17991 1165 1 2 . 1 1 136 136 THR CA C 136 63.872 63.872 65.944 -2.072 17991 1166 1 2 . 1 1 136 136 THR CB C 136 69.779 69.779 69.435 0.344 17991 1167 1 2 . 1 1 136 136 THR H H 136 8.006 8.006 7.904 0.102 17991 1168 1 2 . 1 1 137 137 HIS N N 137 118.612 118.612 120.360 -1.748 17991 1169 1 2 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.334 0.369 17991 1170 1 2 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.524 -3.064 17991 1171 1 2 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.052 -1.341 17991 1172 1 2 . 1 1 137 137 HIS H H 137 8.013 8.013 7.690 0.323 17991 1173 1 2 . 1 1 138 138 HIS N N 138 118.709 118.709 117.595 1.114 17991 1174 1 2 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.482 0.344 17991 1175 1 2 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.685 -2.171 17991 1176 1 2 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.672 -1.426 17991 1177 1 2 . 1 1 138 138 HIS H H 138 8.169 8.169 8.553 -0.384 17991 1178 1 2 . 1 1 139 139 ARG N N 139 123.025 123.025 119.252 3.773 17991 1179 1 2 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.992 0.574 17991 1180 1 2 . 1 1 139 139 ARG CA C 139 56.394 56.394 57.423 -1.029 17991 1181 1 2 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.751 0.270 17991 1182 1 2 . 1 1 139 139 ARG H H 139 8.419 8.419 8.193 0.226 17991 1183 1 3 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.842 -0.104 17991 1184 1 3 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.547 0.229 17991 1185 1 3 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.105 -0.761 17991 1186 1 3 . 1 1 8 8 HIS H H 8 8.686 8.686 8.341 0.345 17991 1187 1 3 . 1 1 9 9 ALA N N 9 124.079 124.079 126.931 -2.852 17991 1188 1 3 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.273 0.114 17991 1189 1 3 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.312 -0.025 17991 1190 1 3 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.420 -1.245 17991 1191 1 3 . 1 1 9 9 ALA H H 9 8.457 8.457 8.557 -0.100 17991 1192 1 3 . 1 1 10 10 MET N N 10 120.430 120.430 118.729 1.701 17991 1193 1 3 . 1 1 10 10 MET HA H 10 4.390 4.390 4.417 -0.027 17991 1194 1 3 . 1 1 10 10 MET CA C 10 57.753 57.753 57.925 -0.172 17991 1195 1 3 . 1 1 10 10 MET CB C 10 32.355 32.355 32.668 -0.313 17991 1196 1 3 . 1 1 10 10 MET H H 10 8.545 8.545 8.329 0.216 17991 1197 1 3 . 1 1 11 11 VAL N N 11 119.159 119.159 117.265 1.894 17991 1198 1 3 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.047 -0.031 17991 1199 1 3 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.304 1.967 17991 1200 1 3 . 1 1 11 11 VAL CB C 11 31.611 31.611 30.809 0.802 17991 1201 1 3 . 1 1 11 11 VAL H H 11 8.339 8.339 8.034 0.305 17991 1202 1 3 . 1 1 12 12 ILE N N 12 119.461 119.461 119.976 -0.515 17991 1203 1 3 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.067 -0.114 17991 1204 1 3 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.748 0.586 17991 1205 1 3 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.199 -0.703 17991 1206 1 3 . 1 1 12 12 ILE H H 12 7.705 7.705 7.932 -0.227 17991 1207 1 3 . 1 1 13 13 ASP N N 13 119.460 119.460 119.045 0.415 17991 1208 1 3 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.646 -0.262 17991 1209 1 3 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.498 2.026 17991 1210 1 3 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.063 -1.651 17991 1211 1 3 . 1 1 13 13 ASP H H 13 8.172 8.172 7.774 0.398 17991 1212 1 3 . 1 1 14 14 HIS N N 14 116.421 116.421 118.273 -1.852 17991 1213 1 3 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.507 0.033 17991 1214 1 3 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.151 -0.403 17991 1215 1 3 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.925 -2.273 17991 1216 1 3 . 1 1 14 14 HIS H H 14 8.138 8.138 7.708 0.430 17991 1217 1 3 . 1 1 15 15 ILE N N 15 119.970 119.970 119.895 0.075 17991 1218 1 3 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.833 -0.025 17991 1219 1 3 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.365 1.038 17991 1220 1 3 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.097 0.690 17991 1221 1 3 . 1 1 15 15 ILE H H 15 8.224 8.224 7.721 0.503 17991 1222 1 3 . 1 1 16 16 LEU N N 16 118.635 118.635 121.008 -2.373 17991 1223 1 3 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.921 1.071 17991 1224 1 3 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.212 0.574 17991 1225 1 3 . 1 1 16 16 LEU H H 16 8.480 8.480 7.937 0.543 17991 1226 1 3 . 1 1 17 17 LYS N N 17 118.257 118.257 117.572 0.685 17991 1227 1 3 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.955 0.139 17991 1228 1 3 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.113 0.769 17991 1229 1 3 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.714 0.502 17991 1230 1 3 . 1 1 17 17 LYS H H 17 8.098 8.098 7.829 0.269 17991 1231 1 3 . 1 1 18 18 CYS N N 18 117.220 117.220 118.702 -1.482 17991 1232 1 3 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.237 0.092 17991 1233 1 3 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.532 -0.314 17991 1234 1 3 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.914 -1.092 17991 1235 1 3 . 1 1 18 18 CYS H H 18 7.899 7.899 7.914 -0.015 17991 1236 1 3 . 1 1 19 19 VAL N N 19 118.929 118.929 119.725 -0.796 17991 1237 1 3 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.905 -0.180 17991 1238 1 3 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.938 2.142 17991 1239 1 3 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.216 -0.159 17991 1240 1 3 . 1 1 19 19 VAL H H 19 8.352 8.352 7.463 0.889 17991 1241 1 3 . 1 1 20 20 PHE N N 20 120.244 120.244 119.677 0.567 17991 1242 1 3 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.238 0.036 17991 1243 1 3 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.541 1.085 17991 1244 1 3 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.534 -0.454 17991 1245 1 3 . 1 1 20 20 PHE H H 20 8.791 8.791 8.730 0.061 17991 1246 1 3 . 1 1 21 21 ASP N N 21 118.761 118.761 120.369 -1.608 17991 1247 1 3 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.397 -0.034 17991 1248 1 3 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.536 -0.019 17991 1249 1 3 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.949 -0.881 17991 1250 1 3 . 1 1 21 21 ASP H H 21 8.705 8.705 7.911 0.794 17991 1251 1 3 . 1 1 22 22 LYS N N 22 118.200 118.200 119.491 -1.291 17991 1252 1 3 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.127 0.067 17991 1253 1 3 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.148 -0.555 17991 1254 1 3 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.604 -0.305 17991 1255 1 3 . 1 1 22 22 LYS H H 22 7.810 7.810 7.602 0.208 17991 1256 1 3 . 1 1 23 23 ILE N N 23 118.534 118.534 120.010 -1.476 17991 1257 1 3 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.650 0.132 17991 1258 1 3 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.704 0.392 17991 1259 1 3 . 1 1 23 23 ILE H H 23 8.351 8.351 7.663 0.688 17991 1260 1 3 . 1 1 24 24 CYS N N 24 117.155 117.155 115.278 1.877 17991 1261 1 3 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.254 -0.205 17991 1262 1 3 . 1 1 24 24 CYS CA C 24 63.499 63.499 60.555 2.944 17991 1263 1 3 . 1 1 24 24 CYS CB C 24 26.626 26.626 26.641 -0.015 17991 1264 1 3 . 1 1 24 24 CYS H H 24 8.203 8.203 7.752 0.451 17991 1265 1 3 . 1 1 25 25 LYS N N 25 119.995 119.995 121.903 -1.908 17991 1266 1 3 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.115 -0.353 17991 1267 1 3 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.438 -0.053 17991 1268 1 3 . 1 1 25 25 LYS H H 25 7.760 7.760 7.255 0.505 17991 1269 1 3 . 1 1 26 26 ILE N N 26 119.168 119.168 117.516 1.652 17991 1270 1 3 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.730 0.244 17991 1271 1 3 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.322 0.784 17991 1272 1 3 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.787 -0.231 17991 1273 1 3 . 1 1 26 26 ILE H H 26 8.055 8.055 8.413 -0.358 17991 1274 1 3 . 1 1 27 27 GLY N N 27 108.257 108.257 106.483 1.774 17991 1275 1 3 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.783 0.205 17991 1276 1 3 . 1 1 27 27 GLY H H 27 8.568 8.568 7.704 0.864 17991 1277 1 3 . 1 1 28 28 THR N N 28 112.727 112.727 114.682 -1.955 17991 1278 1 3 . 1 1 28 28 THR HA H 28 3.912 3.912 4.292 -0.380 17991 1279 1 3 . 1 1 28 28 THR CA C 28 64.717 64.717 64.565 0.152 17991 1280 1 3 . 1 1 28 28 THR CB C 28 69.375 69.375 69.259 0.116 17991 1281 1 3 . 1 1 28 28 THR H H 28 8.059 8.059 7.423 0.636 17991 1282 1 3 . 1 1 29 29 GLU N N 29 120.068 120.068 120.875 -0.807 17991 1283 1 3 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.800 -1.196 17991 1284 1 3 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.764 -0.671 17991 1285 1 3 . 1 1 29 29 GLU H H 29 8.113 8.113 7.685 0.428 17991 1286 1 3 . 1 1 30 30 SER N N 30 114.882 114.882 116.126 -1.244 17991 1287 1 3 . 1 1 30 30 SER HA H 30 4.374 4.374 4.014 0.360 17991 1288 1 3 . 1 1 30 30 SER CA C 30 60.353 60.353 61.047 -0.694 17991 1289 1 3 . 1 1 30 30 SER H H 30 8.060 8.060 7.531 0.529 17991 1290 1 3 . 1 1 31 31 VAL N N 31 122.098 122.098 120.066 2.032 17991 1291 1 3 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.850 0.167 17991 1292 1 3 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.349 -0.722 17991 1293 1 3 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.273 0.712 17991 1294 1 3 . 1 1 31 31 VAL H H 31 8.127 8.127 7.833 0.294 17991 1295 1 3 . 1 1 32 32 GLU N N 32 120.280 120.280 120.676 -0.396 17991 1296 1 3 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.179 0.139 17991 1297 1 3 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.262 -1.375 17991 1298 1 3 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.467 -0.814 17991 1299 1 3 . 1 1 32 32 GLU H H 32 8.243 8.243 7.995 0.248 17991 1300 1 3 . 1 1 33 33 ALA N N 33 121.715 121.715 121.357 0.358 17991 1301 1 3 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.138 0.051 17991 1302 1 3 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.668 0.056 17991 1303 1 3 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.077 0.651 17991 1304 1 3 . 1 1 33 33 ALA H H 33 8.218 8.218 7.588 0.630 17991 1305 1 3 . 1 1 34 34 GLY N N 34 104.656 104.656 105.887 -1.231 17991 1306 1 3 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.644 0.430 17991 1307 1 3 . 1 1 34 34 GLY H H 34 8.308 8.308 8.065 0.243 17991 1308 1 3 . 1 1 35 35 ARG N N 35 119.958 119.958 121.805 -1.847 17991 1309 1 3 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.333 -0.057 17991 1310 1 3 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.271 1.754 17991 1311 1 3 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.934 0.355 17991 1312 1 3 . 1 1 35 35 ARG H H 35 7.975 7.975 7.568 0.407 17991 1313 1 3 . 1 1 36 36 LEU N N 36 118.931 118.931 121.218 -2.287 17991 1314 1 3 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.130 0.094 17991 1315 1 3 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.147 -0.344 17991 1316 1 3 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.933 0.260 17991 1317 1 3 . 1 1 36 36 LEU H H 36 7.958 7.958 8.706 -0.748 17991 1318 1 3 . 1 1 37 37 ILE N N 37 118.087 118.087 118.807 -0.720 17991 1319 1 3 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.752 0.179 17991 1320 1 3 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.893 -0.034 17991 1321 1 3 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.704 0.335 17991 1322 1 3 . 1 1 37 37 ILE H H 37 7.904 7.904 7.639 0.265 17991 1323 1 3 . 1 1 38 38 GLU N N 38 120.989 120.989 119.838 1.151 17991 1324 1 3 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.972 0.259 17991 1325 1 3 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.631 -1.186 17991 1326 1 3 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.472 -0.461 17991 1327 1 3 . 1 1 38 38 GLU H H 38 8.041 8.041 7.520 0.521 17991 1328 1 3 . 1 1 39 39 LEU N N 39 120.111 120.111 119.279 0.832 17991 1329 1 3 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.104 0.167 17991 1330 1 3 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.297 0.114 17991 1331 1 3 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.030 1.265 17991 1332 1 3 . 1 1 39 39 LEU H H 39 8.173 8.173 7.787 0.386 17991 1333 1 3 . 1 1 40 40 SER N N 40 113.806 113.806 112.490 1.316 17991 1334 1 3 . 1 1 40 40 SER HA H 40 4.312 4.312 4.153 0.159 17991 1335 1 3 . 1 1 40 40 SER CA C 40 60.406 60.406 60.740 -0.334 17991 1336 1 3 . 1 1 40 40 SER CB C 40 63.646 63.646 63.223 0.423 17991 1337 1 3 . 1 1 40 40 SER H H 40 8.031 8.031 7.565 0.466 17991 1338 1 3 . 1 1 41 41 GLN N N 41 120.139 120.139 118.276 1.863 17991 1339 1 3 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.225 0.171 17991 1340 1 3 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.717 -1.116 17991 1341 1 3 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.503 -0.118 17991 1342 1 3 . 1 1 41 41 GLN H H 41 7.956 7.956 7.856 0.100 17991 1343 1 3 . 1 1 42 42 GLU N N 42 119.728 119.728 115.723 4.005 17991 1344 1 3 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.358 0.015 17991 1345 1 3 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.642 0.448 17991 1346 1 3 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.691 -2.336 17991 1347 1 3 . 1 1 42 42 GLU H H 42 8.114 8.114 8.257 -0.143 17991 1348 1 3 . 1 1 43 43 GLY N N 43 108.655 108.655 110.291 -1.636 17991 1349 1 3 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.334 -0.711 17991 1350 1 3 . 1 1 43 43 GLY H H 43 8.325 8.325 7.918 0.407 17991 1351 1 3 . 1 1 44 44 GLY N N 44 107.872 107.872 107.163 0.709 17991 1352 1 3 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.760 1.727 17991 1353 1 3 . 1 1 44 44 GLY H H 44 8.105 8.105 7.668 0.437 17991 1354 1 3 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.544 1.851 17991 1355 1 3 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.526 -0.057 17991 1356 1 3 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.590 0.840 17991 1357 1 3 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.966 0.355 17991 1358 1 3 . 1 1 50 50 LEU N N 50 116.864 116.864 117.911 -1.047 17991 1359 1 3 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.392 -0.190 17991 1360 1 3 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.825 1.724 17991 1361 1 3 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.194 1.504 17991 1362 1 3 . 1 1 50 50 LEU H H 50 8.336 8.336 8.152 0.184 17991 1363 1 3 . 1 1 51 51 TYR N N 51 118.433 118.433 122.168 -3.735 17991 1364 1 3 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.160 0.005 17991 1365 1 3 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.769 -0.735 17991 1366 1 3 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.565 -0.081 17991 1367 1 3 . 1 1 51 51 TYR H H 51 7.765 7.765 7.734 0.031 17991 1368 1 3 . 1 1 52 52 PHE N N 52 117.945 117.945 119.198 -1.253 17991 1369 1 3 . 1 1 52 52 PHE HA H 52 4.260 4.260 4.009 0.251 17991 1370 1 3 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.098 0.153 17991 1371 1 3 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.277 0.042 17991 1372 1 3 . 1 1 52 52 PHE H H 52 7.873 7.873 7.996 -0.123 17991 1373 1 3 . 1 1 53 53 VAL N N 53 117.468 117.468 118.542 -1.074 17991 1374 1 3 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.426 0.226 17991 1375 1 3 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.469 0.829 17991 1376 1 3 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.490 0.320 17991 1377 1 3 . 1 1 53 53 VAL H H 53 7.864 7.864 7.420 0.444 17991 1378 1 3 . 1 1 54 54 VAL N N 54 116.929 116.929 120.925 -3.996 17991 1379 1 3 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.710 -0.008 17991 1380 1 3 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.126 -0.060 17991 1381 1 3 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.660 0.141 17991 1382 1 3 . 1 1 54 54 VAL H H 54 7.958 7.958 8.119 -0.161 17991 1383 1 3 . 1 1 55 55 ASN N N 55 115.543 115.543 116.313 -0.770 17991 1384 1 3 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.708 -0.078 17991 1385 1 3 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.306 0.154 17991 1386 1 3 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.099 0.830 17991 1387 1 3 . 1 1 55 55 ASN H H 55 7.823 7.823 7.913 -0.090 17991 1388 1 3 . 1 1 56 56 VAL N N 56 116.125 116.125 117.551 -1.426 17991 1389 1 3 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.830 0.267 17991 1390 1 3 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.386 0.753 17991 1391 1 3 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.447 -0.444 17991 1392 1 3 . 1 1 56 56 VAL H H 56 7.664 7.664 7.222 0.442 17991 1393 1 3 . 1 1 57 57 ILE N N 57 116.872 116.872 119.022 -2.150 17991 1394 1 3 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.939 0.070 17991 1395 1 3 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.107 1.443 17991 1396 1 3 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.155 0.608 17991 1397 1 3 . 1 1 57 57 ILE H H 57 7.587 7.587 7.623 -0.036 17991 1398 1 3 . 1 1 58 58 GLU N N 58 118.190 118.190 120.877 -2.687 17991 1399 1 3 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.068 0.131 17991 1400 1 3 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.954 -1.649 17991 1401 1 3 . 1 1 58 58 GLU H H 58 8.114 8.114 7.701 0.413 17991 1402 1 3 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.354 0.154 17991 1403 1 3 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.311 0.251 17991 1404 1 3 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.309 0.157 17991 1405 1 3 . 1 1 60 60 CYS N N 60 115.035 115.035 117.529 -2.494 17991 1406 1 3 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.150 0.118 17991 1407 1 3 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.414 -0.301 17991 1408 1 3 . 1 1 60 60 CYS CB C 60 26.990 26.990 26.792 0.198 17991 1409 1 3 . 1 1 60 60 CYS H H 60 7.913 7.913 7.755 0.158 17991 1410 1 3 . 1 1 61 61 LYS N N 61 121.184 121.184 120.546 0.638 17991 1411 1 3 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.904 0.368 17991 1412 1 3 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.314 -1.225 17991 1413 1 3 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.067 0.361 17991 1414 1 3 . 1 1 61 61 LYS H H 61 8.197 8.197 8.271 -0.074 17991 1415 1 3 . 1 1 62 62 LYS N N 62 118.253 118.253 117.640 0.613 17991 1416 1 3 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.188 -1.344 17991 1417 1 3 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.437 -0.347 17991 1418 1 3 . 1 1 62 62 LYS H H 62 7.982 7.982 7.876 0.106 17991 1419 1 3 . 1 1 63 63 PHE N N 63 118.763 118.763 115.787 2.976 17991 1420 1 3 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.428 -0.173 17991 1421 1 3 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.353 1.181 17991 1422 1 3 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.350 -0.200 17991 1423 1 3 . 1 1 63 63 PHE H H 63 8.155 8.155 7.418 0.737 17991 1424 1 3 . 1 1 64 64 SER N N 64 114.881 114.881 116.645 -1.764 17991 1425 1 3 . 1 1 64 64 SER HA H 64 4.268 4.268 3.789 0.479 17991 1426 1 3 . 1 1 64 64 SER CA C 64 61.588 61.588 61.684 -0.097 17991 1427 1 3 . 1 1 64 64 SER CB C 64 63.175 63.175 62.936 0.239 17991 1428 1 3 . 1 1 64 64 SER H H 64 8.218 8.218 7.897 0.321 17991 1429 1 3 . 1 1 65 65 GLU N N 65 120.937 120.937 118.758 2.179 17991 1430 1 3 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.166 0.118 17991 1431 1 3 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.287 -0.076 17991 1432 1 3 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.834 -0.872 17991 1433 1 3 . 1 1 65 65 GLU H H 65 8.067 8.067 7.618 0.449 17991 1434 1 3 . 1 1 66 66 LEU N N 66 118.904 118.904 119.700 -0.796 17991 1435 1 3 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.076 0.187 17991 1436 1 3 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.198 0.024 17991 1437 1 3 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.697 0.628 17991 1438 1 3 . 1 1 66 66 LEU H H 66 8.003 8.003 7.204 0.799 17991 1439 1 3 . 1 1 67 67 THR N N 67 108.190 108.190 112.581 -4.391 17991 1440 1 3 . 1 1 67 67 THR HA H 67 4.043 4.043 4.072 -0.029 17991 1441 1 3 . 1 1 67 67 THR CA C 67 64.579 64.579 65.669 -1.090 17991 1442 1 3 . 1 1 67 67 THR CB C 67 69.410 69.410 68.513 0.898 17991 1443 1 3 . 1 1 67 67 THR H H 67 7.783 7.783 7.435 0.348 17991 1444 1 3 . 1 1 68 68 GLY N N 68 108.141 108.141 107.524 0.617 17991 1445 1 3 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.335 0.909 17991 1446 1 3 . 1 1 68 68 GLY H H 68 7.964 7.964 7.505 0.459 17991 1447 1 3 . 1 1 69 69 LEU N N 69 120.124 120.124 121.278 -1.154 17991 1448 1 3 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.613 -0.261 17991 1449 1 3 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.554 0.932 17991 1450 1 3 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.745 -0.371 17991 1451 1 3 . 1 1 69 69 LEU H H 69 7.749 7.749 7.556 0.193 17991 1452 1 3 . 1 1 70 70 VAL N N 70 115.546 115.546 118.004 -2.458 17991 1453 1 3 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.853 0.082 17991 1454 1 3 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.773 -1.143 17991 1455 1 3 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.453 -0.189 17991 1456 1 3 . 1 1 70 70 VAL H H 70 7.607 7.607 7.488 0.119 17991 1457 1 3 . 1 1 71 71 PHE N N 71 119.035 119.035 115.567 3.468 17991 1458 1 3 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.513 0.045 17991 1459 1 3 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.905 -0.358 17991 1460 1 3 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.000 -0.700 17991 1461 1 3 . 1 1 71 71 PHE H H 71 7.618 7.618 7.886 -0.268 17991 1462 1 3 . 1 1 72 72 TYR N N 72 118.365 118.365 119.625 -1.260 17991 1463 1 3 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.512 0.067 17991 1464 1 3 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.346 -1.250 17991 1465 1 3 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.828 -1.584 17991 1466 1 3 . 1 1 72 72 TYR H H 72 7.740 7.740 7.547 0.193 17991 1467 1 3 . 1 1 73 73 LEU N N 73 121.184 121.184 121.499 -0.315 17991 1468 1 3 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.657 -0.082 17991 1469 1 3 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.748 1.800 17991 1470 1 3 . 1 1 73 73 LEU CB C 73 42.081 42.081 44.657 -2.575 17991 1471 1 3 . 1 1 73 73 LEU H H 73 7.713 7.713 7.579 0.134 17991 1472 1 3 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.701 -0.063 17991 1473 1 3 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.309 0.894 17991 1474 1 3 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.671 -0.990 17991 1475 1 3 . 1 1 75 75 THR N N 75 113.231 113.231 116.001 -2.770 17991 1476 1 3 . 1 1 75 75 THR HA H 75 4.339 4.339 4.030 0.309 17991 1477 1 3 . 1 1 75 75 THR CA C 75 62.684 62.684 64.527 -1.843 17991 1478 1 3 . 1 1 75 75 THR H H 75 8.217 8.217 8.480 -0.263 17991 1479 1 3 . 1 1 76 76 ASP N N 76 120.892 120.892 115.531 5.361 17991 1480 1 3 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.675 0.115 17991 1481 1 3 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.444 0.795 17991 1482 1 3 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.919 -1.603 17991 1483 1 3 . 1 1 76 76 ASP H H 76 8.406 8.406 7.455 0.951 17991 1484 1 3 . 1 1 77 77 SER N N 77 115.861 115.861 114.216 1.645 17991 1485 1 3 . 1 1 77 77 SER HA H 77 4.345 4.345 4.245 0.100 17991 1486 1 3 . 1 1 77 77 SER CA C 77 60.528 60.528 60.170 0.358 17991 1487 1 3 . 1 1 77 77 SER CB C 77 63.812 63.812 63.560 0.252 17991 1488 1 3 . 1 1 77 77 SER H H 77 8.238 8.238 8.525 -0.287 17991 1489 1 3 . 1 1 78 78 GLY N N 78 110.440 110.440 107.183 3.257 17991 1490 1 3 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.254 1.399 17991 1491 1 3 . 1 1 78 78 GLY H H 78 8.570 8.570 7.728 0.842 17991 1492 1 3 . 1 1 79 79 GLU N N 79 121.242 121.242 121.332 -0.090 17991 1493 1 3 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.319 0.001 17991 1494 1 3 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.738 -0.720 17991 1495 1 3 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.722 -0.640 17991 1496 1 3 . 1 1 79 79 GLU H H 79 8.237 8.237 8.386 -0.149 17991 1497 1 3 . 1 1 80 80 LYS N N 80 119.708 119.708 118.829 0.879 17991 1498 1 3 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.265 0.054 17991 1499 1 3 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.321 -0.440 17991 1500 1 3 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.397 0.349 17991 1501 1 3 . 1 1 80 80 LYS H H 80 8.252 8.252 8.273 -0.021 17991 1502 1 3 . 1 1 81 81 MET N N 81 119.849 119.849 117.414 2.435 17991 1503 1 3 . 1 1 81 81 MET HA H 81 4.367 4.367 4.355 0.012 17991 1504 1 3 . 1 1 81 81 MET CA C 81 57.845 57.845 59.513 -1.668 17991 1505 1 3 . 1 1 81 81 MET CB C 81 32.658 32.658 32.311 0.347 17991 1506 1 3 . 1 1 81 81 MET H H 81 8.419 8.419 7.982 0.437 17991 1507 1 3 . 1 1 82 82 THR N N 82 114.947 114.947 114.156 0.791 17991 1508 1 3 . 1 1 82 82 THR HA H 82 4.132 4.132 3.926 0.206 17991 1509 1 3 . 1 1 82 82 THR CA C 82 65.377 65.377 66.440 -1.063 17991 1510 1 3 . 1 1 82 82 THR CB C 82 69.035 69.035 68.307 0.728 17991 1511 1 3 . 1 1 82 82 THR H H 82 8.115 8.115 7.753 0.362 17991 1512 1 3 . 1 1 83 83 GLU N N 83 121.416 121.416 119.269 2.147 17991 1513 1 3 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.229 0.144 17991 1514 1 3 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.832 -0.768 17991 1515 1 3 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.687 -0.745 17991 1516 1 3 . 1 1 83 83 GLU H H 83 8.336 8.336 7.900 0.436 17991 1517 1 3 . 1 1 84 84 SER N N 84 115.783 115.783 113.687 2.096 17991 1518 1 3 . 1 1 84 84 SER HA H 84 4.278 4.278 4.561 -0.283 17991 1519 1 3 . 1 1 84 84 SER CA C 84 61.685 61.685 60.955 0.730 17991 1520 1 3 . 1 1 84 84 SER H H 84 8.191 8.191 7.919 0.272 17991 1521 1 3 . 1 1 85 85 LYS N N 85 121.318 121.318 121.705 -0.387 17991 1522 1 3 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.194 -0.109 17991 1523 1 3 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.144 0.644 17991 1524 1 3 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.566 -0.136 17991 1525 1 3 . 1 1 85 85 LYS H H 85 8.113 8.113 8.174 -0.061 17991 1526 1 3 . 1 1 86 86 SER N N 86 115.042 115.042 115.708 -0.666 17991 1527 1 3 . 1 1 86 86 SER HA H 86 4.389 4.389 4.250 0.139 17991 1528 1 3 . 1 1 86 86 SER CA C 86 61.437 61.437 61.419 0.018 17991 1529 1 3 . 1 1 86 86 SER CB C 86 63.116 63.116 62.656 0.460 17991 1530 1 3 . 1 1 86 86 SER H H 86 8.066 8.066 7.751 0.315 17991 1531 1 3 . 1 1 87 87 VAL N N 87 122.920 122.920 121.528 1.392 17991 1532 1 3 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.923 0.457 17991 1533 1 3 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.257 0.866 17991 1534 1 3 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.439 -0.061 17991 1535 1 3 . 1 1 87 87 VAL H H 87 8.103 8.103 7.791 0.312 17991 1536 1 3 . 1 1 88 88 LEU N N 88 119.501 119.501 119.531 -0.030 17991 1537 1 3 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.958 0.164 17991 1538 1 3 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.302 0.604 17991 1539 1 3 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.588 0.356 17991 1540 1 3 . 1 1 88 88 LEU H H 88 8.146 8.146 7.788 0.358 17991 1541 1 3 . 1 1 89 89 LYS N N 89 120.285 120.285 118.499 1.786 17991 1542 1 3 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.036 0.059 17991 1543 1 3 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.420 0.467 17991 1544 1 3 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.824 -0.598 17991 1545 1 3 . 1 1 89 89 LYS H H 89 8.245 8.245 7.533 0.712 17991 1546 1 3 . 1 1 90 90 SER N N 90 115.131 115.131 114.551 0.580 17991 1547 1 3 . 1 1 90 90 SER HA H 90 4.362 4.362 4.306 0.056 17991 1548 1 3 . 1 1 90 90 SER CA C 90 61.815 61.815 60.458 1.357 17991 1549 1 3 . 1 1 90 90 SER H H 90 8.037 8.037 8.143 -0.106 17991 1550 1 3 . 1 1 91 91 LEU N N 91 120.855 120.855 122.590 -1.735 17991 1551 1 3 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.171 -0.023 17991 1552 1 3 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.289 1.124 17991 1553 1 3 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.643 0.532 17991 1554 1 3 . 1 1 91 91 LEU H H 91 8.445 8.445 7.294 1.151 17991 1555 1 3 . 1 1 92 92 THR N N 92 112.933 112.933 115.045 -2.112 17991 1556 1 3 . 1 1 92 92 THR HA H 92 3.904 3.904 3.891 0.013 17991 1557 1 3 . 1 1 92 92 THR CA C 92 67.390 67.390 66.935 0.455 17991 1558 1 3 . 1 1 92 92 THR CB C 92 69.367 69.367 68.291 1.076 17991 1559 1 3 . 1 1 92 92 THR H H 92 8.383 8.383 7.627 0.756 17991 1560 1 3 . 1 1 93 93 GLU N N 93 120.387 120.387 119.879 0.508 17991 1561 1 3 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.468 0.019 17991 1562 1 3 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.244 -0.099 17991 1563 1 3 . 1 1 93 93 GLU H H 93 7.971 7.971 7.937 0.034 17991 1564 1 3 . 1 1 94 94 LYS N N 94 118.470 118.470 116.943 1.527 17991 1565 1 3 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.245 -0.079 17991 1566 1 3 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.131 1.915 17991 1567 1 3 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.566 -0.219 17991 1568 1 3 . 1 1 94 94 LYS H H 94 7.804 7.804 8.079 -0.275 17991 1569 1 3 . 1 1 95 95 LEU N N 95 118.397 118.397 119.082 -0.685 17991 1570 1 3 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.304 -0.145 17991 1571 1 3 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.819 1.058 17991 1572 1 3 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.441 -0.492 17991 1573 1 3 . 1 1 95 95 LEU H H 95 8.256 8.256 7.833 0.423 17991 1574 1 3 . 1 1 96 96 LYS N N 96 117.747 117.747 119.161 -1.414 17991 1575 1 3 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.015 -0.075 17991 1576 1 3 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.372 0.910 17991 1577 1 3 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.884 0.464 17991 1578 1 3 . 1 1 96 96 LYS H H 96 8.105 8.105 8.664 -0.559 17991 1579 1 3 . 1 1 97 97 LYS N N 97 116.451 116.451 119.742 -3.291 17991 1580 1 3 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.220 -0.053 17991 1581 1 3 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.330 1.213 17991 1582 1 3 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.018 0.133 17991 1583 1 3 . 1 1 97 97 LYS H H 97 7.520 7.520 7.762 -0.242 17991 1584 1 3 . 1 1 98 98 ILE N N 98 117.587 117.587 122.356 -4.769 17991 1585 1 3 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.859 0.071 17991 1586 1 3 . 1 1 98 98 ILE CA C 98 64.299 64.299 64.099 0.200 17991 1587 1 3 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.167 -0.418 17991 1588 1 3 . 1 1 98 98 ILE H H 98 7.782 7.782 8.024 -0.242 17991 1589 1 3 . 1 1 99 99 VAL N N 99 116.989 116.989 119.636 -2.647 17991 1590 1 3 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.689 0.136 17991 1591 1 3 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.508 0.455 17991 1592 1 3 . 1 1 99 99 VAL CB C 99 31.482 31.482 30.882 0.600 17991 1593 1 3 . 1 1 99 99 VAL H H 99 7.917 7.917 7.514 0.403 17991 1594 1 3 . 1 1 100 100 GLU N N 100 116.782 116.782 117.635 -0.853 17991 1595 1 3 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.243 -0.030 17991 1596 1 3 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.185 -0.211 17991 1597 1 3 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.287 -1.364 17991 1598 1 3 . 1 1 100 100 GLU H H 100 7.702 7.702 8.189 -0.487 17991 1599 1 3 . 1 1 101 101 LEU N N 101 118.218 118.218 119.272 -1.054 17991 1600 1 3 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.316 -0.161 17991 1601 1 3 . 1 1 101 101 LEU CA C 101 55.736 55.736 55.993 -0.257 17991 1602 1 3 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.440 -1.401 17991 1603 1 3 . 1 1 101 101 LEU H H 101 7.751 7.751 7.740 0.011 17991 1604 1 3 . 1 1 102 102 ILE N N 102 119.412 119.412 116.021 3.391 17991 1605 1 3 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.478 -0.751 17991 1606 1 3 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.599 3.210 17991 1607 1 3 . 1 1 102 102 ILE H H 102 7.559 7.559 8.238 -0.679 17991 1608 1 3 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.420 0.167 17991 1609 1 3 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.303 -0.014 17991 1610 1 3 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.718 0.168 17991 1611 1 3 . 1 1 104 104 SER N N 104 112.794 112.794 114.539 -1.745 17991 1612 1 3 . 1 1 104 104 SER HA H 104 4.571 4.571 4.312 0.259 17991 1613 1 3 . 1 1 104 104 SER CA C 104 59.286 59.286 60.293 -1.007 17991 1614 1 3 . 1 1 104 104 SER CB C 104 63.849 63.849 62.463 1.386 17991 1615 1 3 . 1 1 104 104 SER H H 104 8.100 8.100 8.350 -0.250 17991 1616 1 3 . 1 1 105 105 THR N N 105 114.655 114.655 114.346 0.309 17991 1617 1 3 . 1 1 105 105 THR HA H 105 4.318 4.318 4.396 -0.078 17991 1618 1 3 . 1 1 105 105 THR CA C 105 64.056 64.056 63.808 0.248 17991 1619 1 3 . 1 1 105 105 THR CB C 105 69.861 69.861 68.836 1.025 17991 1620 1 3 . 1 1 105 105 THR H H 105 8.186 8.186 7.666 0.520 17991 1621 1 3 . 1 1 106 106 SER N N 106 116.165 116.165 117.202 -1.037 17991 1622 1 3 . 1 1 106 106 SER HA H 106 4.344 4.344 4.159 0.185 17991 1623 1 3 . 1 1 106 106 SER CA C 106 60.864 60.864 61.089 -0.225 17991 1624 1 3 . 1 1 106 106 SER CB C 106 63.462 63.462 63.058 0.404 17991 1625 1 3 . 1 1 106 106 SER H H 106 8.200 8.200 7.782 0.418 17991 1626 1 3 . 1 1 107 107 SER N N 107 116.732 116.732 116.422 0.310 17991 1627 1 3 . 1 1 107 107 SER HA H 107 4.413 4.413 4.283 0.130 17991 1628 1 3 . 1 1 107 107 SER CA C 107 60.051 60.051 61.267 -1.216 17991 1629 1 3 . 1 1 107 107 SER CB C 107 63.921 63.921 63.594 0.327 17991 1630 1 3 . 1 1 107 107 SER H H 107 8.114 8.114 7.657 0.457 17991 1631 1 3 . 1 1 108 108 ALA N N 108 122.523 122.523 122.719 -0.196 17991 1632 1 3 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.394 0.040 17991 1633 1 3 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.563 -0.081 17991 1634 1 3 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.776 0.555 17991 1635 1 3 . 1 1 108 108 ALA H H 108 8.022 8.022 7.736 0.286 17991 1636 1 3 . 1 1 109 109 VAL N N 109 117.146 117.146 121.191 -4.045 17991 1637 1 3 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.711 0.077 17991 1638 1 3 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.433 -1.598 17991 1639 1 3 . 1 1 109 109 VAL H H 109 7.829 7.829 8.474 -0.645 17991 1640 1 3 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.303 0.177 17991 1641 1 3 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.069 0.376 17991 1642 1 3 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.151 0.228 17991 1643 1 3 . 1 1 111 111 LEU N N 111 117.393 117.393 118.261 -0.868 17991 1644 1 3 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.215 -0.002 17991 1645 1 3 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.859 0.923 17991 1646 1 3 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.508 -0.060 17991 1647 1 3 . 1 1 111 111 LEU H H 111 7.538 7.538 7.524 0.014 17991 1648 1 3 . 1 1 112 112 ILE N N 112 117.001 117.001 118.577 -1.576 17991 1649 1 3 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.804 0.197 17991 1650 1 3 . 1 1 112 112 ILE CA C 112 64.626 64.626 62.231 2.395 17991 1651 1 3 . 1 1 112 112 ILE H H 112 8.118 8.118 8.683 -0.565 17991 1652 1 3 . 1 1 113 113 GLY N N 113 106.840 106.840 109.342 -2.502 17991 1653 1 3 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.317 0.455 17991 1654 1 3 . 1 1 113 113 GLY H H 113 8.409 8.409 8.562 -0.153 17991 1655 1 3 . 1 1 114 114 LYS N N 114 120.736 120.736 121.099 -0.363 17991 1656 1 3 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.022 0.098 17991 1657 1 3 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.867 0.271 17991 1658 1 3 . 1 1 114 114 LYS H H 114 7.847 7.847 7.679 0.168 17991 1659 1 3 . 1 1 115 115 TYR N N 115 117.055 117.055 117.237 -0.182 17991 1660 1 3 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.602 -0.330 17991 1661 1 3 . 1 1 115 115 TYR CA C 115 60.430 60.430 58.342 2.088 17991 1662 1 3 . 1 1 115 115 TYR H H 115 7.891 7.891 7.610 0.281 17991 1663 1 3 . 1 1 116 116 MET H H 116 8.170 8.170 7.679 0.491 17991 1664 1 3 . 1 1 117 117 LEU N N 117 117.768 117.768 118.415 -0.647 17991 1665 1 3 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.031 -0.122 17991 1666 1 3 . 1 1 117 117 LEU CA C 117 58.594 58.594 58.073 0.521 17991 1667 1 3 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.655 -0.319 17991 1668 1 3 . 1 1 117 117 LEU H H 117 7.781 7.781 7.736 0.045 17991 1669 1 3 . 1 1 118 118 PHE N N 118 118.204 118.204 118.216 -0.012 17991 1670 1 3 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.219 0.209 17991 1671 1 3 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.874 -1.139 17991 1672 1 3 . 1 1 118 118 PHE H H 118 8.024 8.024 8.008 0.016 17991 1673 1 3 . 1 1 119 119 THR N N 119 114.941 114.941 116.146 -1.205 17991 1674 1 3 . 1 1 119 119 THR HA H 119 3.972 3.972 4.100 -0.128 17991 1675 1 3 . 1 1 119 119 THR CA C 119 67.518 67.518 66.777 0.741 17991 1676 1 3 . 1 1 119 119 THR CB C 119 69.194 69.194 68.363 0.831 17991 1677 1 3 . 1 1 119 119 THR H H 119 8.171 8.171 8.037 0.134 17991 1678 1 3 . 1 1 120 120 LYS N N 120 121.758 121.758 121.128 0.630 17991 1679 1 3 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.973 0.007 17991 1680 1 3 . 1 1 120 120 LYS CA C 120 60.810 60.810 60.211 0.599 17991 1681 1 3 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.097 0.418 17991 1682 1 3 . 1 1 120 120 LYS H H 120 8.359 8.359 7.659 0.700 17991 1683 1 3 . 1 1 121 121 GLU N N 121 117.504 117.504 116.408 1.096 17991 1684 1 3 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.212 0.002 17991 1685 1 3 . 1 1 121 121 GLU CA C 121 59.240 59.240 57.547 1.693 17991 1686 1 3 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.901 -1.518 17991 1687 1 3 . 1 1 121 121 GLU H H 121 8.222 8.222 7.740 0.482 17991 1688 1 3 . 1 1 122 122 PHE N N 122 121.586 121.586 120.601 0.985 17991 1689 1 3 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.430 -0.136 17991 1690 1 3 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.856 0.718 17991 1691 1 3 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.536 -1.177 17991 1692 1 3 . 1 1 122 122 PHE H H 122 8.562 8.562 7.740 0.822 17991 1693 1 3 . 1 1 123 123 VAL N N 123 121.558 121.558 121.471 0.087 17991 1694 1 3 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.743 -0.227 17991 1695 1 3 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.793 1.815 17991 1696 1 3 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.800 -0.339 17991 1697 1 3 . 1 1 123 123 VAL H H 123 8.784 8.784 8.932 -0.148 17991 1698 1 3 . 1 1 124 124 GLU N N 124 118.314 118.314 119.829 -1.515 17991 1699 1 3 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.995 0.047 17991 1700 1 3 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.163 1.044 17991 1701 1 3 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.119 -0.694 17991 1702 1 3 . 1 1 124 124 GLU H H 124 8.564 8.564 8.580 -0.016 17991 1703 1 3 . 1 1 125 125 SER N N 125 114.779 114.779 115.742 -0.963 17991 1704 1 3 . 1 1 125 125 SER HA H 125 4.265 4.265 4.067 0.198 17991 1705 1 3 . 1 1 125 125 SER CA C 125 62.342 62.342 61.808 0.534 17991 1706 1 3 . 1 1 125 125 SER CB C 125 63.162 63.162 62.602 0.560 17991 1707 1 3 . 1 1 125 125 SER H H 125 8.348 8.348 8.105 0.243 17991 1708 1 3 . 1 1 126 126 SER N N 126 118.464 118.464 117.571 0.893 17991 1709 1 3 . 1 1 126 126 SER HA H 126 4.069 4.069 4.370 -0.301 17991 1710 1 3 . 1 1 126 126 SER CA C 126 62.846 62.846 61.874 0.972 17991 1711 1 3 . 1 1 126 126 SER H H 126 8.144 8.144 7.860 0.284 17991 1712 1 3 . 1 1 127 127 ILE N N 127 124.705 124.705 121.783 2.922 17991 1713 1 3 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.034 -0.353 17991 1714 1 3 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.384 2.257 17991 1715 1 3 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.148 -0.114 17991 1716 1 3 . 1 1 127 127 ILE H H 127 8.280 8.280 7.408 0.872 17991 1717 1 3 . 1 1 128 128 LYS N N 128 119.907 119.907 121.100 -1.193 17991 1718 1 3 . 1 1 128 128 LYS CA C 128 59.885 59.885 60.022 -0.137 17991 1719 1 3 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.347 -0.099 17991 1720 1 3 . 1 1 128 128 LYS H H 128 7.741 7.741 7.498 0.243 17991 1721 1 3 . 1 1 129 129 ILE N N 129 118.807 118.807 117.535 1.272 17991 1722 1 3 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.802 0.305 17991 1723 1 3 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.956 -0.564 17991 1724 1 3 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.198 -0.148 17991 1725 1 3 . 1 1 129 129 ILE H H 129 8.215 8.215 8.109 0.106 17991 1726 1 3 . 1 1 130 130 THR N N 130 117.328 117.328 113.828 3.500 17991 1727 1 3 . 1 1 130 130 THR HA H 130 3.921 3.921 3.918 0.003 17991 1728 1 3 . 1 1 130 130 THR CA C 130 68.210 68.210 65.353 2.857 17991 1729 1 3 . 1 1 130 130 THR H H 130 7.988 7.988 7.659 0.329 17991 1730 1 3 . 1 1 131 131 GLU N N 131 118.968 118.968 122.383 -3.415 17991 1731 1 3 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.959 0.019 17991 1732 1 3 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.991 0.609 17991 1733 1 3 . 1 1 131 131 GLU H H 131 8.439 8.439 8.058 0.381 17991 1734 1 3 . 1 1 132 132 GLU N N 132 118.712 118.712 118.148 0.564 17991 1735 1 3 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.202 0.024 17991 1736 1 3 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.185 1.082 17991 1737 1 3 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.937 -1.318 17991 1738 1 3 . 1 1 132 132 GLU H H 132 7.987 7.987 7.952 0.035 17991 1739 1 3 . 1 1 133 133 VAL N N 133 120.060 120.060 120.568 -0.508 17991 1740 1 3 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.030 -0.163 17991 1741 1 3 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.019 2.311 17991 1742 1 3 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.356 -0.200 17991 1743 1 3 . 1 1 133 133 VAL H H 133 8.341 8.341 7.958 0.383 17991 1744 1 3 . 1 1 134 134 ILE N N 134 119.699 119.699 120.598 -0.899 17991 1745 1 3 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.953 -0.093 17991 1746 1 3 . 1 1 134 134 ILE CA C 134 65.184 65.184 62.212 2.972 17991 1747 1 3 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.674 0.228 17991 1748 1 3 . 1 1 134 134 ILE H H 134 8.331 8.331 7.756 0.575 17991 1749 1 3 . 1 1 135 135 ASN N N 135 117.396 117.396 116.572 0.824 17991 1750 1 3 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.620 0.055 17991 1751 1 3 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.677 -0.172 17991 1752 1 3 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.189 -0.062 17991 1753 1 3 . 1 1 135 135 ASN H H 135 8.318 8.318 8.035 0.283 17991 1754 1 3 . 1 1 136 136 THR N N 136 111.419 111.419 114.151 -2.732 17991 1755 1 3 . 1 1 136 136 THR HA H 136 4.308 4.308 4.367 -0.059 17991 1756 1 3 . 1 1 136 136 THR CA C 136 63.872 63.872 65.529 -1.657 17991 1757 1 3 . 1 1 136 136 THR CB C 136 69.779 69.779 69.406 0.373 17991 1758 1 3 . 1 1 136 136 THR H H 136 8.006 8.006 7.489 0.517 17991 1759 1 3 . 1 1 137 137 HIS N N 137 118.612 118.612 120.601 -1.989 17991 1760 1 3 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.338 0.365 17991 1761 1 3 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.193 -2.732 17991 1762 1 3 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.689 -0.977 17991 1763 1 3 . 1 1 137 137 HIS H H 137 8.013 8.013 8.218 -0.205 17991 1764 1 3 . 1 1 138 138 HIS N N 138 118.709 118.709 116.981 1.728 17991 1765 1 3 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.401 0.425 17991 1766 1 3 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.353 -2.839 17991 1767 1 3 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.802 -1.556 17991 1768 1 3 . 1 1 138 138 HIS H H 138 8.169 8.169 7.900 0.269 17991 1769 1 3 . 1 1 139 139 ARG N N 139 123.025 123.025 119.077 3.948 17991 1770 1 3 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.050 0.516 17991 1771 1 3 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.148 -1.754 17991 1772 1 3 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.782 0.239 17991 1773 1 3 . 1 1 139 139 ARG H H 139 8.419 8.419 7.949 0.470 17991 1774 1 4 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.325 0.413 17991 1775 1 4 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.012 -0.236 17991 1776 1 4 . 1 1 8 8 HIS CB C 8 29.344 29.344 28.632 0.712 17991 1777 1 4 . 1 1 8 8 HIS H H 8 8.686 8.686 8.717 -0.031 17991 1778 1 4 . 1 1 9 9 ALA N N 9 124.079 124.079 124.959 -0.880 17991 1779 1 4 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.365 0.022 17991 1780 1 4 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.395 0.892 17991 1781 1 4 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.050 -0.875 17991 1782 1 4 . 1 1 9 9 ALA H H 9 8.457 8.457 8.359 0.098 17991 1783 1 4 . 1 1 10 10 MET N N 10 120.430 120.430 119.871 0.559 17991 1784 1 4 . 1 1 10 10 MET HA H 10 4.390 4.390 4.334 0.056 17991 1785 1 4 . 1 1 10 10 MET CA C 10 57.753 57.753 58.313 -0.560 17991 1786 1 4 . 1 1 10 10 MET CB C 10 32.355 32.355 33.164 -0.809 17991 1787 1 4 . 1 1 10 10 MET H H 10 8.545 8.545 8.293 0.252 17991 1788 1 4 . 1 1 11 11 VAL N N 11 119.159 119.159 116.822 2.337 17991 1789 1 4 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.032 -0.016 17991 1790 1 4 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.189 1.083 17991 1791 1 4 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.670 -0.059 17991 1792 1 4 . 1 1 11 11 VAL H H 11 8.339 8.339 7.881 0.458 17991 1793 1 4 . 1 1 12 12 ILE N N 12 119.461 119.461 119.737 -0.276 17991 1794 1 4 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.130 -0.177 17991 1795 1 4 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.510 0.825 17991 1796 1 4 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.349 -0.854 17991 1797 1 4 . 1 1 12 12 ILE H H 12 7.705 7.705 7.950 -0.245 17991 1798 1 4 . 1 1 13 13 ASP N N 13 119.460 119.460 119.496 -0.036 17991 1799 1 4 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.619 -0.235 17991 1800 1 4 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.988 1.536 17991 1801 1 4 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.112 -1.700 17991 1802 1 4 . 1 1 13 13 ASP H H 13 8.172 8.172 7.812 0.360 17991 1803 1 4 . 1 1 14 14 HIS N N 14 116.421 116.421 117.685 -1.264 17991 1804 1 4 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.490 0.050 17991 1805 1 4 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.554 -0.806 17991 1806 1 4 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.475 -1.823 17991 1807 1 4 . 1 1 14 14 HIS H H 14 8.138 8.138 7.958 0.180 17991 1808 1 4 . 1 1 15 15 ILE N N 15 119.970 119.970 119.640 0.330 17991 1809 1 4 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.807 0.001 17991 1810 1 4 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.469 0.935 17991 1811 1 4 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.802 -0.015 17991 1812 1 4 . 1 1 15 15 ILE H H 15 8.224 8.224 7.624 0.600 17991 1813 1 4 . 1 1 16 16 LEU N N 16 118.635 118.635 121.530 -2.895 17991 1814 1 4 . 1 1 16 16 LEU HA H 16 3.992 3.992 2.118 1.874 17991 1815 1 4 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.422 0.364 17991 1816 1 4 . 1 1 16 16 LEU H H 16 8.480 8.480 7.830 0.650 17991 1817 1 4 . 1 1 17 17 LYS N N 17 118.257 118.257 117.477 0.780 17991 1818 1 4 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.996 0.098 17991 1819 1 4 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.193 0.689 17991 1820 1 4 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.721 0.495 17991 1821 1 4 . 1 1 17 17 LYS H H 17 8.098 8.098 7.798 0.300 17991 1822 1 4 . 1 1 18 18 CYS N N 18 117.220 117.220 118.804 -1.584 17991 1823 1 4 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.284 0.045 17991 1824 1 4 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.229 0.989 17991 1825 1 4 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.522 -0.700 17991 1826 1 4 . 1 1 18 18 CYS H H 18 7.899 7.899 7.948 -0.049 17991 1827 1 4 . 1 1 19 19 VAL N N 19 118.929 118.929 120.170 -1.241 17991 1828 1 4 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.952 -0.227 17991 1829 1 4 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.437 1.643 17991 1830 1 4 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.118 -0.061 17991 1831 1 4 . 1 1 19 19 VAL H H 19 8.352 8.352 7.485 0.867 17991 1832 1 4 . 1 1 20 20 PHE N N 20 120.244 120.244 119.671 0.573 17991 1833 1 4 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.425 -0.151 17991 1834 1 4 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.391 2.235 17991 1835 1 4 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.795 0.285 17991 1836 1 4 . 1 1 20 20 PHE H H 20 8.791 8.791 8.850 -0.059 17991 1837 1 4 . 1 1 21 21 ASP N N 21 118.761 118.761 120.573 -1.812 17991 1838 1 4 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.409 -0.046 17991 1839 1 4 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.242 0.275 17991 1840 1 4 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.928 -0.860 17991 1841 1 4 . 1 1 21 21 ASP H H 21 8.705 8.705 7.873 0.832 17991 1842 1 4 . 1 1 22 22 LYS N N 22 118.200 118.200 119.777 -1.577 17991 1843 1 4 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.057 0.137 17991 1844 1 4 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.544 -0.951 17991 1845 1 4 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.578 -0.279 17991 1846 1 4 . 1 1 22 22 LYS H H 22 7.810 7.810 7.554 0.256 17991 1847 1 4 . 1 1 23 23 ILE N N 23 118.534 118.534 119.422 -0.888 17991 1848 1 4 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.681 0.100 17991 1849 1 4 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.969 0.127 17991 1850 1 4 . 1 1 23 23 ILE H H 23 8.351 8.351 7.679 0.672 17991 1851 1 4 . 1 1 24 24 CYS N N 24 117.155 117.155 116.024 1.131 17991 1852 1 4 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.169 -0.120 17991 1853 1 4 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.611 0.888 17991 1854 1 4 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.405 -0.779 17991 1855 1 4 . 1 1 24 24 CYS H H 24 8.203 8.203 7.889 0.314 17991 1856 1 4 . 1 1 25 25 LYS N N 25 119.995 119.995 121.168 -1.173 17991 1857 1 4 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.517 -0.755 17991 1858 1 4 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.574 -0.189 17991 1859 1 4 . 1 1 25 25 LYS H H 25 7.760 7.760 7.311 0.449 17991 1860 1 4 . 1 1 26 26 ILE N N 26 119.168 119.168 116.919 2.249 17991 1861 1 4 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.841 0.133 17991 1862 1 4 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.392 1.714 17991 1863 1 4 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.056 -0.500 17991 1864 1 4 . 1 1 26 26 ILE H H 26 8.055 8.055 7.856 0.199 17991 1865 1 4 . 1 1 27 27 GLY N N 27 108.257 108.257 106.341 1.916 17991 1866 1 4 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.967 0.022 17991 1867 1 4 . 1 1 27 27 GLY H H 27 8.568 8.568 7.902 0.666 17991 1868 1 4 . 1 1 28 28 THR N N 28 112.727 112.727 112.731 -0.004 17991 1869 1 4 . 1 1 28 28 THR HA H 28 3.912 3.912 4.190 -0.278 17991 1870 1 4 . 1 1 28 28 THR CA C 28 64.717 64.717 64.347 0.370 17991 1871 1 4 . 1 1 28 28 THR CB C 28 69.375 69.375 69.281 0.094 17991 1872 1 4 . 1 1 28 28 THR H H 28 8.059 8.059 7.373 0.686 17991 1873 1 4 . 1 1 29 29 GLU N N 29 120.068 120.068 121.183 -1.115 17991 1874 1 4 . 1 1 29 29 GLU CA C 29 57.604 57.604 57.925 -0.321 17991 1875 1 4 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.961 0.132 17991 1876 1 4 . 1 1 29 29 GLU H H 29 8.113 8.113 7.834 0.279 17991 1877 1 4 . 1 1 30 30 SER N N 30 114.882 114.882 115.583 -0.701 17991 1878 1 4 . 1 1 30 30 SER HA H 30 4.374 4.374 3.883 0.491 17991 1879 1 4 . 1 1 30 30 SER CA C 30 60.353 60.353 61.052 -0.699 17991 1880 1 4 . 1 1 30 30 SER H H 30 8.060 8.060 7.571 0.489 17991 1881 1 4 . 1 1 31 31 VAL N N 31 122.098 122.098 119.818 2.280 17991 1882 1 4 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.714 0.303 17991 1883 1 4 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.273 -0.646 17991 1884 1 4 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.498 0.487 17991 1885 1 4 . 1 1 31 31 VAL H H 31 8.127 8.127 7.698 0.429 17991 1886 1 4 . 1 1 32 32 GLU N N 32 120.280 120.280 120.198 0.082 17991 1887 1 4 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.122 0.196 17991 1888 1 4 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.020 -1.133 17991 1889 1 4 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.429 -0.776 17991 1890 1 4 . 1 1 32 32 GLU H H 32 8.243 8.243 7.865 0.378 17991 1891 1 4 . 1 1 33 33 ALA N N 33 121.715 121.715 121.399 0.316 17991 1892 1 4 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.000 0.189 17991 1893 1 4 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.394 0.330 17991 1894 1 4 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.998 0.730 17991 1895 1 4 . 1 1 33 33 ALA H H 33 8.218 8.218 7.457 0.761 17991 1896 1 4 . 1 1 34 34 GLY N N 34 104.656 104.656 105.519 -0.863 17991 1897 1 4 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.524 0.550 17991 1898 1 4 . 1 1 34 34 GLY H H 34 8.308 8.308 7.844 0.464 17991 1899 1 4 . 1 1 35 35 ARG N N 35 119.958 119.958 121.028 -1.070 17991 1900 1 4 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.343 -0.067 17991 1901 1 4 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.889 2.135 17991 1902 1 4 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.391 0.898 17991 1903 1 4 . 1 1 35 35 ARG H H 35 7.975 7.975 7.446 0.529 17991 1904 1 4 . 1 1 36 36 LEU N N 36 118.931 118.931 120.859 -1.928 17991 1905 1 4 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.202 0.022 17991 1906 1 4 . 1 1 36 36 LEU CA C 36 57.803 57.803 56.739 1.064 17991 1907 1 4 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.327 0.866 17991 1908 1 4 . 1 1 36 36 LEU H H 36 7.958 7.958 8.540 -0.582 17991 1909 1 4 . 1 1 37 37 ILE N N 37 118.087 118.087 119.717 -1.630 17991 1910 1 4 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.742 0.189 17991 1911 1 4 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.907 -0.049 17991 1912 1 4 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.649 0.390 17991 1913 1 4 . 1 1 37 37 ILE H H 37 7.904 7.904 7.772 0.132 17991 1914 1 4 . 1 1 38 38 GLU N N 38 120.989 120.989 119.751 1.238 17991 1915 1 4 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.923 0.308 17991 1916 1 4 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.841 -1.396 17991 1917 1 4 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.298 -0.287 17991 1918 1 4 . 1 1 38 38 GLU H H 38 8.041 8.041 7.554 0.487 17991 1919 1 4 . 1 1 39 39 LEU N N 39 120.111 120.111 118.713 1.398 17991 1920 1 4 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.052 0.219 17991 1921 1 4 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.394 0.017 17991 1922 1 4 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.075 1.220 17991 1923 1 4 . 1 1 39 39 LEU H H 39 8.173 8.173 7.678 0.495 17991 1924 1 4 . 1 1 40 40 SER N N 40 113.806 113.806 112.938 0.868 17991 1925 1 4 . 1 1 40 40 SER HA H 40 4.312 4.312 4.193 0.119 17991 1926 1 4 . 1 1 40 40 SER CA C 40 60.406 60.406 60.734 -0.329 17991 1927 1 4 . 1 1 40 40 SER CB C 40 63.646 63.646 63.376 0.270 17991 1928 1 4 . 1 1 40 40 SER H H 40 8.031 8.031 7.496 0.535 17991 1929 1 4 . 1 1 41 41 GLN N N 41 120.139 120.139 118.618 1.521 17991 1930 1 4 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.152 0.244 17991 1931 1 4 . 1 1 41 41 GLN CA C 41 56.601 56.601 58.090 -1.489 17991 1932 1 4 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.558 -0.173 17991 1933 1 4 . 1 1 41 41 GLN H H 41 7.956 7.956 7.860 0.096 17991 1934 1 4 . 1 1 42 42 GLU N N 42 119.728 119.728 115.841 3.887 17991 1935 1 4 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.319 0.054 17991 1936 1 4 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.868 0.221 17991 1937 1 4 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.040 -1.685 17991 1938 1 4 . 1 1 42 42 GLU H H 42 8.114 8.114 8.577 -0.463 17991 1939 1 4 . 1 1 43 43 GLY N N 43 108.655 108.655 109.514 -0.859 17991 1940 1 4 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.068 -0.445 17991 1941 1 4 . 1 1 43 43 GLY H H 43 8.325 8.325 8.121 0.204 17991 1942 1 4 . 1 1 44 44 GLY N N 44 107.872 107.872 105.703 2.169 17991 1943 1 4 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.214 2.273 17991 1944 1 4 . 1 1 44 44 GLY H H 44 8.105 8.105 7.683 0.422 17991 1945 1 4 . 1 1 48 48 GLY CA C 48 45.395 45.395 44.094 1.301 17991 1946 1 4 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.539 -0.070 17991 1947 1 4 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.571 0.859 17991 1948 1 4 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.934 0.387 17991 1949 1 4 . 1 1 50 50 LEU N N 50 116.864 116.864 118.524 -1.660 17991 1950 1 4 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.231 -0.029 17991 1951 1 4 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.250 0.299 17991 1952 1 4 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.353 0.346 17991 1953 1 4 . 1 1 50 50 LEU H H 50 8.336 8.336 8.046 0.290 17991 1954 1 4 . 1 1 51 51 TYR N N 51 118.433 118.433 119.577 -1.144 17991 1955 1 4 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.242 -0.077 17991 1956 1 4 . 1 1 51 51 TYR CA C 51 61.034 61.034 59.754 1.280 17991 1957 1 4 . 1 1 51 51 TYR CB C 51 38.484 38.484 37.673 0.811 17991 1958 1 4 . 1 1 51 51 TYR H H 51 7.765 7.765 8.026 -0.261 17991 1959 1 4 . 1 1 52 52 PHE N N 52 117.945 117.945 120.356 -2.411 17991 1960 1 4 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.652 0.608 17991 1961 1 4 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.708 0.543 17991 1962 1 4 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.697 -0.378 17991 1963 1 4 . 1 1 52 52 PHE H H 52 7.873 7.873 7.455 0.418 17991 1964 1 4 . 1 1 53 53 VAL N N 53 117.468 117.468 117.525 -0.057 17991 1965 1 4 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.547 0.105 17991 1966 1 4 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.339 0.959 17991 1967 1 4 . 1 1 53 53 VAL CB C 53 31.810 31.810 30.546 1.264 17991 1968 1 4 . 1 1 53 53 VAL H H 53 7.864 7.864 7.608 0.256 17991 1969 1 4 . 1 1 54 54 VAL N N 54 116.929 116.929 121.887 -4.958 17991 1970 1 4 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.605 0.097 17991 1971 1 4 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.760 -0.692 17991 1972 1 4 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.506 0.295 17991 1973 1 4 . 1 1 54 54 VAL H H 54 7.958 7.958 8.531 -0.573 17991 1974 1 4 . 1 1 55 55 ASN N N 55 115.543 115.543 117.865 -2.322 17991 1975 1 4 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.533 0.097 17991 1976 1 4 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.502 -0.042 17991 1977 1 4 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.345 1.584 17991 1978 1 4 . 1 1 55 55 ASN H H 55 7.823 7.823 7.628 0.195 17991 1979 1 4 . 1 1 56 56 VAL N N 56 116.125 116.125 119.807 -3.682 17991 1980 1 4 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.659 0.438 17991 1981 1 4 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.661 -1.522 17991 1982 1 4 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.840 0.163 17991 1983 1 4 . 1 1 56 56 VAL H H 56 7.664 7.664 7.549 0.115 17991 1984 1 4 . 1 1 57 57 ILE N N 57 116.872 116.872 118.644 -1.772 17991 1985 1 4 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.789 0.220 17991 1986 1 4 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.625 0.925 17991 1987 1 4 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.590 1.173 17991 1988 1 4 . 1 1 57 57 ILE H H 57 7.587 7.587 8.236 -0.649 17991 1989 1 4 . 1 1 58 58 GLU N N 58 118.190 118.190 120.681 -2.491 17991 1990 1 4 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.073 0.126 17991 1991 1 4 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.897 -1.592 17991 1992 1 4 . 1 1 58 58 GLU H H 58 8.114 8.114 7.710 0.404 17991 1993 1 4 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.358 0.151 17991 1994 1 4 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.286 0.276 17991 1995 1 4 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.381 0.085 17991 1996 1 4 . 1 1 60 60 CYS N N 60 115.035 115.035 117.641 -2.606 17991 1997 1 4 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.189 0.079 17991 1998 1 4 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.292 -0.179 17991 1999 1 4 . 1 1 60 60 CYS CB C 60 26.990 26.990 26.865 0.125 17991 2000 1 4 . 1 1 60 60 CYS H H 60 7.913 7.913 7.576 0.337 17991 2001 1 4 . 1 1 61 61 LYS N N 61 121.184 121.184 120.458 0.726 17991 2002 1 4 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.936 0.336 17991 2003 1 4 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.157 -1.069 17991 2004 1 4 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.022 0.406 17991 2005 1 4 . 1 1 61 61 LYS H H 61 8.197 8.197 8.226 -0.029 17991 2006 1 4 . 1 1 62 62 LYS N N 62 118.253 118.253 117.485 0.768 17991 2007 1 4 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.052 -1.208 17991 2008 1 4 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.435 -0.345 17991 2009 1 4 . 1 1 62 62 LYS H H 62 7.982 7.982 7.628 0.354 17991 2010 1 4 . 1 1 63 63 PHE N N 63 118.763 118.763 117.708 1.055 17991 2011 1 4 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.502 -0.247 17991 2012 1 4 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.625 0.909 17991 2013 1 4 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.426 -0.276 17991 2014 1 4 . 1 1 63 63 PHE H H 63 8.155 8.155 7.592 0.563 17991 2015 1 4 . 1 1 64 64 SER N N 64 114.881 114.881 116.085 -1.204 17991 2016 1 4 . 1 1 64 64 SER HA H 64 4.268 4.268 3.839 0.429 17991 2017 1 4 . 1 1 64 64 SER CA C 64 61.588 61.588 61.447 0.141 17991 2018 1 4 . 1 1 64 64 SER CB C 64 63.175 63.175 63.032 0.143 17991 2019 1 4 . 1 1 64 64 SER H H 64 8.218 8.218 7.899 0.319 17991 2020 1 4 . 1 1 65 65 GLU N N 65 120.937 120.937 118.934 2.003 17991 2021 1 4 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.167 0.117 17991 2022 1 4 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.337 -0.126 17991 2023 1 4 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.927 -0.965 17991 2024 1 4 . 1 1 65 65 GLU H H 65 8.067 8.067 7.670 0.397 17991 2025 1 4 . 1 1 66 66 LEU N N 66 118.904 118.904 119.715 -0.811 17991 2026 1 4 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.072 0.191 17991 2027 1 4 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.169 0.053 17991 2028 1 4 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.735 0.590 17991 2029 1 4 . 1 1 66 66 LEU H H 66 8.003 8.003 7.186 0.817 17991 2030 1 4 . 1 1 67 67 THR N N 67 108.190 108.190 112.971 -4.781 17991 2031 1 4 . 1 1 67 67 THR HA H 67 4.043 4.043 3.955 0.088 17991 2032 1 4 . 1 1 67 67 THR CA C 67 64.579 64.579 65.978 -1.399 17991 2033 1 4 . 1 1 67 67 THR CB C 67 69.410 69.410 68.268 1.142 17991 2034 1 4 . 1 1 67 67 THR H H 67 7.783 7.783 7.400 0.383 17991 2035 1 4 . 1 1 68 68 GLY N N 68 108.141 108.141 107.514 0.627 17991 2036 1 4 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.366 0.878 17991 2037 1 4 . 1 1 68 68 GLY H H 68 7.964 7.964 7.391 0.573 17991 2038 1 4 . 1 1 69 69 LEU N N 69 120.124 120.124 121.031 -0.907 17991 2039 1 4 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.580 -0.228 17991 2040 1 4 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.709 0.777 17991 2041 1 4 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.567 -0.193 17991 2042 1 4 . 1 1 69 69 LEU H H 69 7.749 7.749 7.507 0.242 17991 2043 1 4 . 1 1 70 70 VAL N N 70 115.546 115.546 117.612 -2.066 17991 2044 1 4 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.814 0.121 17991 2045 1 4 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.912 -1.282 17991 2046 1 4 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.297 -0.033 17991 2047 1 4 . 1 1 70 70 VAL H H 70 7.607 7.607 7.504 0.103 17991 2048 1 4 . 1 1 71 71 PHE N N 71 119.035 119.035 116.353 2.682 17991 2049 1 4 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.497 0.061 17991 2050 1 4 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.412 -0.865 17991 2051 1 4 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.825 -0.525 17991 2052 1 4 . 1 1 71 71 PHE H H 71 7.618 7.618 7.837 -0.219 17991 2053 1 4 . 1 1 72 72 TYR N N 72 118.365 118.365 118.073 0.292 17991 2054 1 4 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.635 -0.056 17991 2055 1 4 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.279 -1.181 17991 2056 1 4 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.005 -1.761 17991 2057 1 4 . 1 1 72 72 TYR H H 72 7.740 7.740 8.147 -0.407 17991 2058 1 4 . 1 1 73 73 LEU N N 73 121.184 121.184 120.852 0.332 17991 2059 1 4 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.709 -0.134 17991 2060 1 4 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.217 1.332 17991 2061 1 4 . 1 1 73 73 LEU CB C 73 42.081 42.081 41.799 0.282 17991 2062 1 4 . 1 1 73 73 LEU H H 73 7.713 7.713 8.121 -0.408 17991 2063 1 4 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.547 0.091 17991 2064 1 4 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.939 0.265 17991 2065 1 4 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.256 -0.575 17991 2066 1 4 . 1 1 75 75 THR N N 75 113.231 113.231 112.510 0.721 17991 2067 1 4 . 1 1 75 75 THR HA H 75 4.339 4.339 4.426 -0.087 17991 2068 1 4 . 1 1 75 75 THR CA C 75 62.684 62.684 61.931 0.753 17991 2069 1 4 . 1 1 75 75 THR H H 75 8.217 8.217 8.132 0.085 17991 2070 1 4 . 1 1 76 76 ASP N N 76 120.892 120.892 118.872 2.020 17991 2071 1 4 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.592 0.198 17991 2072 1 4 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.272 0.967 17991 2073 1 4 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.999 -1.684 17991 2074 1 4 . 1 1 76 76 ASP H H 76 8.406 8.406 7.384 1.022 17991 2075 1 4 . 1 1 77 77 SER N N 77 115.861 115.861 113.634 2.227 17991 2076 1 4 . 1 1 77 77 SER HA H 77 4.345 4.345 4.134 0.211 17991 2077 1 4 . 1 1 77 77 SER CA C 77 60.528 60.528 59.550 0.978 17991 2078 1 4 . 1 1 77 77 SER CB C 77 63.812 63.812 63.587 0.225 17991 2079 1 4 . 1 1 77 77 SER H H 77 8.238 8.238 8.365 -0.127 17991 2080 1 4 . 1 1 78 78 GLY N N 78 110.440 110.440 105.652 4.788 17991 2081 1 4 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.072 1.581 17991 2082 1 4 . 1 1 78 78 GLY H H 78 8.570 8.570 7.875 0.695 17991 2083 1 4 . 1 1 79 79 GLU N N 79 121.242 121.242 122.004 -0.762 17991 2084 1 4 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.093 0.227 17991 2085 1 4 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.152 -1.134 17991 2086 1 4 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.651 -0.569 17991 2087 1 4 . 1 1 79 79 GLU H H 79 8.237 8.237 8.239 -0.002 17991 2088 1 4 . 1 1 80 80 LYS N N 80 119.708 119.708 118.252 1.456 17991 2089 1 4 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.218 0.101 17991 2090 1 4 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.094 -0.214 17991 2091 1 4 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.034 0.712 17991 2092 1 4 . 1 1 80 80 LYS H H 80 8.252 8.252 8.363 -0.111 17991 2093 1 4 . 1 1 81 81 MET N N 81 119.849 119.849 116.883 2.966 17991 2094 1 4 . 1 1 81 81 MET HA H 81 4.367 4.367 4.426 -0.059 17991 2095 1 4 . 1 1 81 81 MET CA C 81 57.845 57.845 58.901 -1.056 17991 2096 1 4 . 1 1 81 81 MET CB C 81 32.658 32.658 32.269 0.389 17991 2097 1 4 . 1 1 81 81 MET H H 81 8.419 8.419 7.689 0.730 17991 2098 1 4 . 1 1 82 82 THR N N 82 114.947 114.947 114.361 0.586 17991 2099 1 4 . 1 1 82 82 THR HA H 82 4.132 4.132 3.964 0.168 17991 2100 1 4 . 1 1 82 82 THR CA C 82 65.377 65.377 66.351 -0.974 17991 2101 1 4 . 1 1 82 82 THR CB C 82 69.035 69.035 68.539 0.496 17991 2102 1 4 . 1 1 82 82 THR H H 82 8.115 8.115 7.768 0.347 17991 2103 1 4 . 1 1 83 83 GLU N N 83 121.416 121.416 118.487 2.929 17991 2104 1 4 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.389 -0.016 17991 2105 1 4 . 1 1 83 83 GLU CA C 83 58.064 58.064 57.978 0.086 17991 2106 1 4 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.433 -0.491 17991 2107 1 4 . 1 1 83 83 GLU H H 83 8.336 8.336 8.401 -0.065 17991 2108 1 4 . 1 1 84 84 SER N N 84 115.783 115.783 115.619 0.164 17991 2109 1 4 . 1 1 84 84 SER HA H 84 4.278 4.278 4.464 -0.186 17991 2110 1 4 . 1 1 84 84 SER CA C 84 61.685 61.685 61.197 0.488 17991 2111 1 4 . 1 1 84 84 SER H H 84 8.191 8.191 8.118 0.073 17991 2112 1 4 . 1 1 85 85 LYS N N 85 121.318 121.318 121.245 0.073 17991 2113 1 4 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.192 -0.107 17991 2114 1 4 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.686 1.102 17991 2115 1 4 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.839 -0.409 17991 2116 1 4 . 1 1 85 85 LYS H H 85 8.113 8.113 7.592 0.521 17991 2117 1 4 . 1 1 86 86 SER N N 86 115.042 115.042 116.210 -1.168 17991 2118 1 4 . 1 1 86 86 SER HA H 86 4.389 4.389 4.243 0.146 17991 2119 1 4 . 1 1 86 86 SER CA C 86 61.437 61.437 61.735 -0.298 17991 2120 1 4 . 1 1 86 86 SER CB C 86 63.116 63.116 62.797 0.319 17991 2121 1 4 . 1 1 86 86 SER H H 86 8.066 8.066 7.730 0.336 17991 2122 1 4 . 1 1 87 87 VAL N N 87 122.920 122.920 121.252 1.668 17991 2123 1 4 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.832 0.548 17991 2124 1 4 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.626 0.496 17991 2125 1 4 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.235 0.144 17991 2126 1 4 . 1 1 87 87 VAL H H 87 8.103 8.103 7.666 0.437 17991 2127 1 4 . 1 1 88 88 LEU N N 88 119.501 119.501 118.678 0.823 17991 2128 1 4 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.038 0.084 17991 2129 1 4 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.209 0.697 17991 2130 1 4 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.508 0.436 17991 2131 1 4 . 1 1 88 88 LEU H H 88 8.146 8.146 7.666 0.480 17991 2132 1 4 . 1 1 89 89 LYS N N 89 120.285 120.285 119.057 1.228 17991 2133 1 4 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.092 0.003 17991 2134 1 4 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.329 0.558 17991 2135 1 4 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.494 -0.268 17991 2136 1 4 . 1 1 89 89 LYS H H 89 8.245 8.245 7.695 0.550 17991 2137 1 4 . 1 1 90 90 SER N N 90 115.131 115.131 114.103 1.028 17991 2138 1 4 . 1 1 90 90 SER HA H 90 4.362 4.362 4.316 0.046 17991 2139 1 4 . 1 1 90 90 SER CA C 90 61.815 61.815 60.326 1.489 17991 2140 1 4 . 1 1 90 90 SER H H 90 8.037 8.037 7.992 0.045 17991 2141 1 4 . 1 1 91 91 LEU N N 91 120.855 120.855 121.745 -0.890 17991 2142 1 4 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.205 -0.057 17991 2143 1 4 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.267 1.146 17991 2144 1 4 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.681 0.494 17991 2145 1 4 . 1 1 91 91 LEU H H 91 8.445 8.445 7.215 1.230 17991 2146 1 4 . 1 1 92 92 THR N N 92 112.933 112.933 115.078 -2.145 17991 2147 1 4 . 1 1 92 92 THR HA H 92 3.904 3.904 3.849 0.055 17991 2148 1 4 . 1 1 92 92 THR CA C 92 67.390 67.390 66.767 0.623 17991 2149 1 4 . 1 1 92 92 THR CB C 92 69.367 69.367 68.221 1.146 17991 2150 1 4 . 1 1 92 92 THR H H 92 8.383 8.383 7.602 0.781 17991 2151 1 4 . 1 1 93 93 GLU N N 93 120.387 120.387 120.343 0.044 17991 2152 1 4 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.883 -0.396 17991 2153 1 4 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.468 -0.323 17991 2154 1 4 . 1 1 93 93 GLU H H 93 7.971 7.971 8.213 -0.242 17991 2155 1 4 . 1 1 94 94 LYS N N 94 118.470 118.470 117.867 0.603 17991 2156 1 4 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.203 -0.037 17991 2157 1 4 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.364 1.682 17991 2158 1 4 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.091 0.256 17991 2159 1 4 . 1 1 94 94 LYS H H 94 7.804 7.804 7.920 -0.116 17991 2160 1 4 . 1 1 95 95 LEU N N 95 118.397 118.397 120.408 -2.011 17991 2161 1 4 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.263 -0.104 17991 2162 1 4 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.977 0.900 17991 2163 1 4 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.085 -0.136 17991 2164 1 4 . 1 1 95 95 LEU H H 95 8.256 8.256 7.162 1.094 17991 2165 1 4 . 1 1 96 96 LYS N N 96 117.747 117.747 119.245 -1.498 17991 2166 1 4 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.046 -0.106 17991 2167 1 4 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.637 0.645 17991 2168 1 4 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.210 0.139 17991 2169 1 4 . 1 1 96 96 LYS H H 96 8.105 8.105 8.663 -0.558 17991 2170 1 4 . 1 1 97 97 LYS N N 97 116.451 116.451 119.509 -3.058 17991 2171 1 4 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.192 -0.025 17991 2172 1 4 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.478 1.065 17991 2173 1 4 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.137 0.014 17991 2174 1 4 . 1 1 97 97 LYS H H 97 7.520 7.520 7.538 -0.018 17991 2175 1 4 . 1 1 98 98 ILE N N 98 117.587 117.587 122.896 -5.309 17991 2176 1 4 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.791 0.139 17991 2177 1 4 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.882 0.417 17991 2178 1 4 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.073 -0.324 17991 2179 1 4 . 1 1 98 98 ILE H H 98 7.782 7.782 7.573 0.209 17991 2180 1 4 . 1 1 99 99 VAL N N 99 116.989 116.989 120.052 -3.063 17991 2181 1 4 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.653 0.172 17991 2182 1 4 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.233 0.730 17991 2183 1 4 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.721 -0.239 17991 2184 1 4 . 1 1 99 99 VAL H H 99 7.917 7.917 7.540 0.377 17991 2185 1 4 . 1 1 100 100 GLU N N 100 116.782 116.782 119.105 -2.323 17991 2186 1 4 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.188 0.025 17991 2187 1 4 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.167 -0.193 17991 2188 1 4 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.538 -1.615 17991 2189 1 4 . 1 1 100 100 GLU H H 100 7.702 7.702 8.192 -0.490 17991 2190 1 4 . 1 1 101 101 LEU N N 101 118.218 118.218 119.593 -1.375 17991 2191 1 4 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.362 -0.207 17991 2192 1 4 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.611 -0.875 17991 2193 1 4 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.221 -1.182 17991 2194 1 4 . 1 1 101 101 LEU H H 101 7.751 7.751 7.721 0.030 17991 2195 1 4 . 1 1 102 102 ILE N N 102 119.412 119.412 117.332 2.080 17991 2196 1 4 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.480 -0.753 17991 2197 1 4 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.965 2.844 17991 2198 1 4 . 1 1 102 102 ILE H H 102 7.559 7.559 8.279 -0.720 17991 2199 1 4 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.361 0.226 17991 2200 1 4 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.415 -0.126 17991 2201 1 4 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.880 0.006 17991 2202 1 4 . 1 1 104 104 SER N N 104 112.794 112.794 113.695 -0.901 17991 2203 1 4 . 1 1 104 104 SER HA H 104 4.571 4.571 4.309 0.262 17991 2204 1 4 . 1 1 104 104 SER CA C 104 59.286 59.286 60.531 -1.245 17991 2205 1 4 . 1 1 104 104 SER CB C 104 63.849 63.849 62.779 1.070 17991 2206 1 4 . 1 1 104 104 SER H H 104 8.100 8.100 8.438 -0.338 17991 2207 1 4 . 1 1 105 105 THR N N 105 114.655 114.655 113.833 0.822 17991 2208 1 4 . 1 1 105 105 THR HA H 105 4.318 4.318 4.459 -0.141 17991 2209 1 4 . 1 1 105 105 THR CA C 105 64.056 64.056 63.869 0.187 17991 2210 1 4 . 1 1 105 105 THR CB C 105 69.861 69.861 69.071 0.790 17991 2211 1 4 . 1 1 105 105 THR H H 105 8.186 8.186 7.642 0.544 17991 2212 1 4 . 1 1 106 106 SER N N 106 116.165 116.165 118.441 -2.276 17991 2213 1 4 . 1 1 106 106 SER HA H 106 4.344 4.344 4.181 0.163 17991 2214 1 4 . 1 1 106 106 SER CA C 106 60.864 60.864 62.128 -1.264 17991 2215 1 4 . 1 1 106 106 SER CB C 106 63.462 63.462 62.682 0.780 17991 2216 1 4 . 1 1 106 106 SER H H 106 8.200 8.200 8.016 0.184 17991 2217 1 4 . 1 1 107 107 SER N N 107 116.732 116.732 117.480 -0.748 17991 2218 1 4 . 1 1 107 107 SER HA H 107 4.413 4.413 4.273 0.140 17991 2219 1 4 . 1 1 107 107 SER CA C 107 60.051 60.051 60.752 -0.701 17991 2220 1 4 . 1 1 107 107 SER CB C 107 63.921 63.921 62.919 1.002 17991 2221 1 4 . 1 1 107 107 SER H H 107 8.114 8.114 8.080 0.034 17991 2222 1 4 . 1 1 108 108 ALA N N 108 122.523 122.523 122.316 0.207 17991 2223 1 4 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.425 0.009 17991 2224 1 4 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.588 -0.106 17991 2225 1 4 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.937 0.394 17991 2226 1 4 . 1 1 108 108 ALA H H 108 8.022 8.022 8.099 -0.077 17991 2227 1 4 . 1 1 109 109 VAL N N 109 117.146 117.146 121.046 -3.900 17991 2228 1 4 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.668 0.120 17991 2229 1 4 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.608 -1.773 17991 2230 1 4 . 1 1 109 109 VAL H H 109 7.829 7.829 8.329 -0.500 17991 2231 1 4 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.323 0.157 17991 2232 1 4 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.965 0.480 17991 2233 1 4 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.200 0.179 17991 2234 1 4 . 1 1 111 111 LEU N N 111 117.393 117.393 118.951 -1.558 17991 2235 1 4 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.338 -0.125 17991 2236 1 4 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.561 1.221 17991 2237 1 4 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.224 0.224 17991 2238 1 4 . 1 1 111 111 LEU H H 111 7.538 7.538 7.599 -0.061 17991 2239 1 4 . 1 1 112 112 ILE N N 112 117.001 117.001 119.731 -2.730 17991 2240 1 4 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.279 -0.278 17991 2241 1 4 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.438 1.188 17991 2242 1 4 . 1 1 112 112 ILE H H 112 8.118 8.118 8.836 -0.718 17991 2243 1 4 . 1 1 113 113 GLY N N 113 106.840 106.840 108.781 -1.941 17991 2244 1 4 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.144 0.628 17991 2245 1 4 . 1 1 113 113 GLY H H 113 8.409 8.409 8.547 -0.138 17991 2246 1 4 . 1 1 114 114 LYS N N 114 120.736 120.736 121.665 -0.929 17991 2247 1 4 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.924 0.196 17991 2248 1 4 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.789 0.349 17991 2249 1 4 . 1 1 114 114 LYS H H 114 7.847 7.847 7.364 0.483 17991 2250 1 4 . 1 1 115 115 TYR N N 115 117.055 117.055 117.541 -0.486 17991 2251 1 4 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.560 -0.288 17991 2252 1 4 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.215 0.215 17991 2253 1 4 . 1 1 115 115 TYR H H 115 7.891 7.891 7.867 0.024 17991 2254 1 4 . 1 1 116 116 MET H H 116 8.170 8.170 7.762 0.408 17991 2255 1 4 . 1 1 117 117 LEU N N 117 117.768 117.768 118.286 -0.518 17991 2256 1 4 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.041 -0.132 17991 2257 1 4 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.473 1.121 17991 2258 1 4 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.764 -0.428 17991 2259 1 4 . 1 1 117 117 LEU H H 117 7.781 7.781 7.651 0.130 17991 2260 1 4 . 1 1 118 118 PHE N N 118 118.204 118.204 119.734 -1.530 17991 2261 1 4 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.155 0.273 17991 2262 1 4 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.247 -0.512 17991 2263 1 4 . 1 1 118 118 PHE H H 118 8.024 8.024 7.665 0.359 17991 2264 1 4 . 1 1 119 119 THR N N 119 114.941 114.941 112.911 2.030 17991 2265 1 4 . 1 1 119 119 THR HA H 119 3.972 3.972 4.067 -0.095 17991 2266 1 4 . 1 1 119 119 THR CA C 119 67.518 67.518 65.906 1.612 17991 2267 1 4 . 1 1 119 119 THR CB C 119 69.194 69.194 68.279 0.915 17991 2268 1 4 . 1 1 119 119 THR H H 119 8.171 8.171 8.382 -0.211 17991 2269 1 4 . 1 1 120 120 LYS N N 120 121.758 121.758 121.908 -0.150 17991 2270 1 4 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.978 0.002 17991 2271 1 4 . 1 1 120 120 LYS CA C 120 60.810 60.810 60.117 0.693 17991 2272 1 4 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.263 0.252 17991 2273 1 4 . 1 1 120 120 LYS H H 120 8.359 8.359 7.960 0.399 17991 2274 1 4 . 1 1 121 121 GLU N N 121 117.504 117.504 116.924 0.580 17991 2275 1 4 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.209 0.005 17991 2276 1 4 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.435 0.805 17991 2277 1 4 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.891 -1.508 17991 2278 1 4 . 1 1 121 121 GLU H H 121 8.222 8.222 7.717 0.505 17991 2279 1 4 . 1 1 122 122 PHE N N 122 121.586 121.586 119.569 2.017 17991 2280 1 4 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.539 -0.245 17991 2281 1 4 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.201 1.373 17991 2282 1 4 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.459 -1.100 17991 2283 1 4 . 1 1 122 122 PHE H H 122 8.562 8.562 7.873 0.689 17991 2284 1 4 . 1 1 123 123 VAL N N 123 121.558 121.558 120.306 1.252 17991 2285 1 4 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.582 -0.066 17991 2286 1 4 . 1 1 123 123 VAL CA C 123 67.608 67.608 67.144 0.464 17991 2287 1 4 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.294 0.167 17991 2288 1 4 . 1 1 123 123 VAL H H 123 8.784 8.784 8.740 0.044 17991 2289 1 4 . 1 1 124 124 GLU N N 124 118.314 118.314 119.899 -1.585 17991 2290 1 4 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.989 0.053 17991 2291 1 4 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.186 1.021 17991 2292 1 4 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.020 -0.595 17991 2293 1 4 . 1 1 124 124 GLU H H 124 8.564 8.564 8.232 0.332 17991 2294 1 4 . 1 1 125 125 SER N N 125 114.779 114.779 116.338 -1.559 17991 2295 1 4 . 1 1 125 125 SER HA H 125 4.265 4.265 3.964 0.301 17991 2296 1 4 . 1 1 125 125 SER CA C 125 62.342 62.342 61.742 0.600 17991 2297 1 4 . 1 1 125 125 SER CB C 125 63.162 63.162 62.582 0.580 17991 2298 1 4 . 1 1 125 125 SER H H 125 8.348 8.348 8.212 0.136 17991 2299 1 4 . 1 1 126 126 SER N N 126 118.464 118.464 117.382 1.082 17991 2300 1 4 . 1 1 126 126 SER HA H 126 4.069 4.069 4.205 -0.136 17991 2301 1 4 . 1 1 126 126 SER CA C 126 62.846 62.846 62.271 0.575 17991 2302 1 4 . 1 1 126 126 SER H H 126 8.144 8.144 7.795 0.349 17991 2303 1 4 . 1 1 127 127 ILE N N 127 124.705 124.705 118.156 6.549 17991 2304 1 4 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.205 -0.524 17991 2305 1 4 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.219 2.422 17991 2306 1 4 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.701 0.333 17991 2307 1 4 . 1 1 127 127 ILE H H 127 8.280 8.280 7.480 0.800 17991 2308 1 4 . 1 1 128 128 LYS N N 128 119.907 119.907 120.923 -1.016 17991 2309 1 4 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.240 0.645 17991 2310 1 4 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.570 -0.322 17991 2311 1 4 . 1 1 128 128 LYS H H 128 7.741 7.741 7.988 -0.247 17991 2312 1 4 . 1 1 129 129 ILE N N 129 118.807 118.807 118.039 0.768 17991 2313 1 4 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.890 0.217 17991 2314 1 4 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.867 -0.475 17991 2315 1 4 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.480 -0.430 17991 2316 1 4 . 1 1 129 129 ILE H H 129 8.215 8.215 8.370 -0.155 17991 2317 1 4 . 1 1 130 130 THR N N 130 117.328 117.328 113.793 3.535 17991 2318 1 4 . 1 1 130 130 THR HA H 130 3.921 3.921 3.915 0.006 17991 2319 1 4 . 1 1 130 130 THR CA C 130 68.210 68.210 65.767 2.443 17991 2320 1 4 . 1 1 130 130 THR H H 130 7.988 7.988 7.847 0.141 17991 2321 1 4 . 1 1 131 131 GLU N N 131 118.968 118.968 121.380 -2.412 17991 2322 1 4 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.059 -0.081 17991 2323 1 4 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.061 0.539 17991 2324 1 4 . 1 1 131 131 GLU H H 131 8.439 8.439 7.742 0.697 17991 2325 1 4 . 1 1 132 132 GLU N N 132 118.712 118.712 118.835 -0.123 17991 2326 1 4 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.262 -0.036 17991 2327 1 4 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.209 1.058 17991 2328 1 4 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.414 -1.795 17991 2329 1 4 . 1 1 132 132 GLU H H 132 7.987 7.987 7.876 0.111 17991 2330 1 4 . 1 1 133 133 VAL N N 133 120.060 120.060 120.943 -0.883 17991 2331 1 4 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.878 -0.011 17991 2332 1 4 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.300 2.030 17991 2333 1 4 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.223 0.933 17991 2334 1 4 . 1 1 133 133 VAL H H 133 8.341 8.341 7.866 0.475 17991 2335 1 4 . 1 1 134 134 ILE N N 134 119.699 119.699 116.011 3.688 17991 2336 1 4 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.053 -0.193 17991 2337 1 4 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.453 1.730 17991 2338 1 4 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.210 0.692 17991 2339 1 4 . 1 1 134 134 ILE H H 134 8.331 8.331 7.384 0.947 17991 2340 1 4 . 1 1 135 135 ASN N N 135 117.396 117.396 117.828 -0.432 17991 2341 1 4 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.457 0.218 17991 2342 1 4 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.109 -0.604 17991 2343 1 4 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.237 0.890 17991 2344 1 4 . 1 1 135 135 ASN H H 135 8.318 8.318 7.947 0.371 17991 2345 1 4 . 1 1 136 136 THR N N 136 111.419 111.419 114.292 -2.873 17991 2346 1 4 . 1 1 136 136 THR HA H 136 4.308 4.308 4.321 -0.013 17991 2347 1 4 . 1 1 136 136 THR CA C 136 63.872 63.872 65.335 -1.463 17991 2348 1 4 . 1 1 136 136 THR CB C 136 69.779 69.779 68.793 0.986 17991 2349 1 4 . 1 1 136 136 THR H H 136 8.006 8.006 7.798 0.208 17991 2350 1 4 . 1 1 137 137 HIS N N 137 118.612 118.612 121.898 -3.286 17991 2351 1 4 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.400 0.303 17991 2352 1 4 . 1 1 137 137 HIS CA C 137 56.460 56.460 60.467 -4.007 17991 2353 1 4 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.690 -0.978 17991 2354 1 4 . 1 1 137 137 HIS H H 137 8.013 8.013 7.609 0.404 17991 2355 1 4 . 1 1 138 138 HIS N N 138 118.709 118.709 117.603 1.106 17991 2356 1 4 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.380 0.446 17991 2357 1 4 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.051 -2.537 17991 2358 1 4 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.392 -1.145 17991 2359 1 4 . 1 1 138 138 HIS H H 138 8.169 8.169 8.543 -0.374 17991 2360 1 4 . 1 1 139 139 ARG N N 139 123.025 123.025 119.081 3.944 17991 2361 1 4 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.893 0.673 17991 2362 1 4 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.687 -2.293 17991 2363 1 4 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.530 0.491 17991 2364 1 4 . 1 1 139 139 ARG H H 139 8.419 8.419 8.066 0.353 17991 2365 1 5 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.539 0.199 17991 2366 1 5 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.037 -0.261 17991 2367 1 5 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.265 0.079 17991 2368 1 5 . 1 1 8 8 HIS H H 8 8.686 8.686 8.355 0.331 17991 2369 1 5 . 1 1 9 9 ALA N N 9 124.079 124.079 126.195 -2.116 17991 2370 1 5 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.490 -0.103 17991 2371 1 5 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.843 0.444 17991 2372 1 5 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.594 -1.419 17991 2373 1 5 . 1 1 9 9 ALA H H 9 8.457 8.457 8.300 0.157 17991 2374 1 5 . 1 1 10 10 MET N N 10 120.430 120.430 118.754 1.676 17991 2375 1 5 . 1 1 10 10 MET HA H 10 4.390 4.390 4.220 0.170 17991 2376 1 5 . 1 1 10 10 MET CA C 10 57.753 57.753 57.782 -0.029 17991 2377 1 5 . 1 1 10 10 MET CB C 10 32.355 32.355 33.145 -0.790 17991 2378 1 5 . 1 1 10 10 MET H H 10 8.545 8.545 8.265 0.280 17991 2379 1 5 . 1 1 11 11 VAL N N 11 119.159 119.159 113.455 5.704 17991 2380 1 5 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.263 -0.247 17991 2381 1 5 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.538 1.732 17991 2382 1 5 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.265 0.346 17991 2383 1 5 . 1 1 11 11 VAL H H 11 8.339 8.339 8.203 0.136 17991 2384 1 5 . 1 1 12 12 ILE N N 12 119.461 119.461 119.356 0.105 17991 2385 1 5 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.114 -0.161 17991 2386 1 5 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.531 0.803 17991 2387 1 5 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.526 -1.030 17991 2388 1 5 . 1 1 12 12 ILE H H 12 7.705 7.705 7.862 -0.157 17991 2389 1 5 . 1 1 13 13 ASP N N 13 119.460 119.460 119.502 -0.042 17991 2390 1 5 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.564 -0.180 17991 2391 1 5 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.217 1.307 17991 2392 1 5 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.084 -1.672 17991 2393 1 5 . 1 1 13 13 ASP H H 13 8.172 8.172 7.789 0.383 17991 2394 1 5 . 1 1 14 14 HIS N N 14 116.421 116.421 118.302 -1.881 17991 2395 1 5 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.513 0.027 17991 2396 1 5 . 1 1 14 14 HIS CA C 14 58.748 58.748 57.533 1.215 17991 2397 1 5 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.575 -1.923 17991 2398 1 5 . 1 1 14 14 HIS H H 14 8.138 8.138 7.557 0.581 17991 2399 1 5 . 1 1 15 15 ILE N N 15 119.970 119.970 120.148 -0.178 17991 2400 1 5 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.668 0.140 17991 2401 1 5 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.710 0.694 17991 2402 1 5 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.749 0.038 17991 2403 1 5 . 1 1 15 15 ILE H H 15 8.224 8.224 7.682 0.542 17991 2404 1 5 . 1 1 16 16 LEU N N 16 118.635 118.635 121.173 -2.538 17991 2405 1 5 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.107 0.885 17991 2406 1 5 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.495 0.291 17991 2407 1 5 . 1 1 16 16 LEU H H 16 8.480 8.480 7.688 0.792 17991 2408 1 5 . 1 1 17 17 LYS N N 17 118.257 118.257 118.178 0.079 17991 2409 1 5 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.028 0.066 17991 2410 1 5 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.262 0.620 17991 2411 1 5 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.989 0.227 17991 2412 1 5 . 1 1 17 17 LYS H H 17 8.098 8.098 7.954 0.144 17991 2413 1 5 . 1 1 18 18 CYS N N 18 117.220 117.220 117.224 -0.004 17991 2414 1 5 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.235 0.094 17991 2415 1 5 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.820 0.398 17991 2416 1 5 . 1 1 18 18 CYS CB C 18 26.822 26.822 26.566 0.256 17991 2417 1 5 . 1 1 18 18 CYS H H 18 7.899 7.899 7.851 0.048 17991 2418 1 5 . 1 1 19 19 VAL N N 19 118.929 118.929 119.920 -0.991 17991 2419 1 5 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.007 -0.282 17991 2420 1 5 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.122 1.958 17991 2421 1 5 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.815 0.242 17991 2422 1 5 . 1 1 19 19 VAL H H 19 8.352 8.352 7.373 0.979 17991 2423 1 5 . 1 1 20 20 PHE N N 20 120.244 120.244 119.922 0.322 17991 2424 1 5 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.348 -0.074 17991 2425 1 5 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.069 2.557 17991 2426 1 5 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.754 0.326 17991 2427 1 5 . 1 1 20 20 PHE H H 20 8.791 8.791 8.707 0.084 17991 2428 1 5 . 1 1 21 21 ASP N N 21 118.761 118.761 120.429 -1.668 17991 2429 1 5 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.402 -0.039 17991 2430 1 5 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.206 0.311 17991 2431 1 5 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.950 -0.882 17991 2432 1 5 . 1 1 21 21 ASP H H 21 8.705 8.705 8.215 0.490 17991 2433 1 5 . 1 1 22 22 LYS N N 22 118.200 118.200 120.518 -2.318 17991 2434 1 5 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.004 0.190 17991 2435 1 5 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.599 -0.006 17991 2436 1 5 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.006 0.293 17991 2437 1 5 . 1 1 22 22 LYS H H 22 7.810 7.810 7.508 0.302 17991 2438 1 5 . 1 1 23 23 ILE N N 23 118.534 118.534 118.832 -0.298 17991 2439 1 5 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.650 0.131 17991 2440 1 5 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.790 0.306 17991 2441 1 5 . 1 1 23 23 ILE H H 23 8.351 8.351 7.615 0.736 17991 2442 1 5 . 1 1 24 24 CYS N N 24 117.155 117.155 116.013 1.142 17991 2443 1 5 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.233 -0.184 17991 2444 1 5 . 1 1 24 24 CYS CA C 24 63.499 63.499 60.535 2.964 17991 2445 1 5 . 1 1 24 24 CYS CB C 24 26.626 26.626 26.531 0.095 17991 2446 1 5 . 1 1 24 24 CYS H H 24 8.203 8.203 8.011 0.192 17991 2447 1 5 . 1 1 25 25 LYS N N 25 119.995 119.995 121.933 -1.938 17991 2448 1 5 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.171 -0.409 17991 2449 1 5 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.392 -0.007 17991 2450 1 5 . 1 1 25 25 LYS H H 25 7.760 7.760 7.693 0.067 17991 2451 1 5 . 1 1 26 26 ILE N N 26 119.168 119.168 117.961 1.207 17991 2452 1 5 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.966 0.008 17991 2453 1 5 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.480 1.626 17991 2454 1 5 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.895 -0.339 17991 2455 1 5 . 1 1 26 26 ILE H H 26 8.055 8.055 7.801 0.254 17991 2456 1 5 . 1 1 27 27 GLY N N 27 108.257 108.257 107.707 0.550 17991 2457 1 5 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.037 -0.048 17991 2458 1 5 . 1 1 27 27 GLY H H 27 8.568 8.568 8.069 0.499 17991 2459 1 5 . 1 1 28 28 THR N N 28 112.727 112.727 116.748 -4.021 17991 2460 1 5 . 1 1 28 28 THR HA H 28 3.912 3.912 4.301 -0.389 17991 2461 1 5 . 1 1 28 28 THR CA C 28 64.717 64.717 65.505 -0.788 17991 2462 1 5 . 1 1 28 28 THR CB C 28 69.375 69.375 69.310 0.065 17991 2463 1 5 . 1 1 28 28 THR H H 28 8.059 8.059 7.463 0.596 17991 2464 1 5 . 1 1 29 29 GLU N N 29 120.068 120.068 122.141 -2.073 17991 2465 1 5 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.345 -1.741 17991 2466 1 5 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.197 -0.104 17991 2467 1 5 . 1 1 29 29 GLU H H 29 8.113 8.113 7.784 0.329 17991 2468 1 5 . 1 1 30 30 SER N N 30 114.882 114.882 114.793 0.089 17991 2469 1 5 . 1 1 30 30 SER HA H 30 4.374 4.374 4.075 0.299 17991 2470 1 5 . 1 1 30 30 SER CA C 30 60.353 60.353 60.468 -0.115 17991 2471 1 5 . 1 1 30 30 SER H H 30 8.060 8.060 7.841 0.219 17991 2472 1 5 . 1 1 31 31 VAL N N 31 122.098 122.098 119.898 2.200 17991 2473 1 5 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.879 0.138 17991 2474 1 5 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.170 -0.543 17991 2475 1 5 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.346 0.639 17991 2476 1 5 . 1 1 31 31 VAL H H 31 8.127 8.127 7.232 0.895 17991 2477 1 5 . 1 1 32 32 GLU N N 32 120.280 120.280 120.536 -0.256 17991 2478 1 5 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.152 0.166 17991 2479 1 5 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.095 -1.208 17991 2480 1 5 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.445 -0.792 17991 2481 1 5 . 1 1 32 32 GLU H H 32 8.243 8.243 7.753 0.490 17991 2482 1 5 . 1 1 33 33 ALA N N 33 121.715 121.715 121.287 0.428 17991 2483 1 5 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.004 0.185 17991 2484 1 5 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.489 0.235 17991 2485 1 5 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.792 0.936 17991 2486 1 5 . 1 1 33 33 ALA H H 33 8.218 8.218 7.490 0.728 17991 2487 1 5 . 1 1 34 34 GLY N N 34 104.656 104.656 105.435 -0.779 17991 2488 1 5 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.449 0.625 17991 2489 1 5 . 1 1 34 34 GLY H H 34 8.308 8.308 7.750 0.558 17991 2490 1 5 . 1 1 35 35 ARG N N 35 119.958 119.958 120.992 -1.034 17991 2491 1 5 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.333 -0.057 17991 2492 1 5 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.875 2.150 17991 2493 1 5 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.384 0.905 17991 2494 1 5 . 1 1 35 35 ARG H H 35 7.975 7.975 7.425 0.550 17991 2495 1 5 . 1 1 36 36 LEU N N 36 118.931 118.931 121.115 -2.184 17991 2496 1 5 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.188 0.036 17991 2497 1 5 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.560 0.243 17991 2498 1 5 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.474 0.719 17991 2499 1 5 . 1 1 36 36 LEU H H 36 7.958 7.958 8.515 -0.557 17991 2500 1 5 . 1 1 37 37 ILE N N 37 118.087 118.087 119.616 -1.529 17991 2501 1 5 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.733 0.198 17991 2502 1 5 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.767 0.092 17991 2503 1 5 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.669 0.370 17991 2504 1 5 . 1 1 37 37 ILE H H 37 7.904 7.904 7.727 0.177 17991 2505 1 5 . 1 1 38 38 GLU N N 38 120.989 120.989 119.485 1.504 17991 2506 1 5 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.917 0.315 17991 2507 1 5 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.739 -1.294 17991 2508 1 5 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.382 -0.371 17991 2509 1 5 . 1 1 38 38 GLU H H 38 8.041 8.041 7.504 0.537 17991 2510 1 5 . 1 1 39 39 LEU N N 39 120.111 120.111 118.905 1.206 17991 2511 1 5 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.061 0.210 17991 2512 1 5 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.232 0.179 17991 2513 1 5 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.932 1.363 17991 2514 1 5 . 1 1 39 39 LEU H H 39 8.173 8.173 7.657 0.516 17991 2515 1 5 . 1 1 40 40 SER N N 40 113.806 113.806 112.983 0.823 17991 2516 1 5 . 1 1 40 40 SER HA H 40 4.312 4.312 4.205 0.107 17991 2517 1 5 . 1 1 40 40 SER CA C 40 60.406 60.406 60.828 -0.422 17991 2518 1 5 . 1 1 40 40 SER CB C 40 63.646 63.646 63.331 0.315 17991 2519 1 5 . 1 1 40 40 SER H H 40 8.031 8.031 7.587 0.444 17991 2520 1 5 . 1 1 41 41 GLN N N 41 120.139 120.139 117.888 2.251 17991 2521 1 5 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.251 0.145 17991 2522 1 5 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.375 -0.774 17991 2523 1 5 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.990 -0.605 17991 2524 1 5 . 1 1 41 41 GLN H H 41 7.956 7.956 7.700 0.256 17991 2525 1 5 . 1 1 42 42 GLU N N 42 119.728 119.728 115.168 4.560 17991 2526 1 5 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.350 0.023 17991 2527 1 5 . 1 1 42 42 GLU CA C 42 57.089 57.089 57.117 -0.028 17991 2528 1 5 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.310 -1.955 17991 2529 1 5 . 1 1 42 42 GLU H H 42 8.114 8.114 8.470 -0.356 17991 2530 1 5 . 1 1 43 43 GLY N N 43 108.655 108.655 109.454 -0.799 17991 2531 1 5 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.085 -0.462 17991 2532 1 5 . 1 1 43 43 GLY H H 43 8.325 8.325 7.886 0.439 17991 2533 1 5 . 1 1 44 44 GLY N N 44 107.872 107.872 107.492 0.380 17991 2534 1 5 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.092 1.395 17991 2535 1 5 . 1 1 44 44 GLY H H 44 8.105 8.105 7.835 0.270 17991 2536 1 5 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.633 1.762 17991 2537 1 5 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.456 0.013 17991 2538 1 5 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.349 1.081 17991 2539 1 5 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.879 0.442 17991 2540 1 5 . 1 1 50 50 LEU N N 50 116.864 116.864 117.925 -1.061 17991 2541 1 5 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.384 -0.182 17991 2542 1 5 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.815 1.734 17991 2543 1 5 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.125 1.574 17991 2544 1 5 . 1 1 50 50 LEU H H 50 8.336 8.336 8.113 0.223 17991 2545 1 5 . 1 1 51 51 TYR N N 51 118.433 118.433 122.118 -3.685 17991 2546 1 5 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.151 0.014 17991 2547 1 5 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.142 -0.107 17991 2548 1 5 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.031 0.453 17991 2549 1 5 . 1 1 51 51 TYR H H 51 7.765 7.765 7.718 0.047 17991 2550 1 5 . 1 1 52 52 PHE N N 52 117.945 117.945 118.828 -0.883 17991 2551 1 5 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.631 0.629 17991 2552 1 5 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.052 0.199 17991 2553 1 5 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.670 0.649 17991 2554 1 5 . 1 1 52 52 PHE H H 52 7.873 7.873 7.986 -0.113 17991 2555 1 5 . 1 1 53 53 VAL N N 53 117.468 117.468 118.392 -0.924 17991 2556 1 5 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.421 0.231 17991 2557 1 5 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.307 0.991 17991 2558 1 5 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.933 -0.123 17991 2559 1 5 . 1 1 53 53 VAL H H 53 7.864 7.864 7.141 0.723 17991 2560 1 5 . 1 1 54 54 VAL N N 54 116.929 116.929 120.791 -3.862 17991 2561 1 5 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.728 -0.026 17991 2562 1 5 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.929 0.138 17991 2563 1 5 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.207 0.594 17991 2564 1 5 . 1 1 54 54 VAL H H 54 7.958 7.958 8.136 -0.178 17991 2565 1 5 . 1 1 55 55 ASN N N 55 115.543 115.543 117.343 -1.800 17991 2566 1 5 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.587 0.043 17991 2567 1 5 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.494 -0.034 17991 2568 1 5 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.718 1.212 17991 2569 1 5 . 1 1 55 55 ASN H H 55 7.823 7.823 8.257 -0.434 17991 2570 1 5 . 1 1 56 56 VAL N N 56 116.125 116.125 117.867 -1.742 17991 2571 1 5 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.924 0.173 17991 2572 1 5 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.059 1.079 17991 2573 1 5 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.612 -0.609 17991 2574 1 5 . 1 1 56 56 VAL H H 56 7.664 7.664 7.250 0.414 17991 2575 1 5 . 1 1 57 57 ILE N N 57 116.872 116.872 118.938 -2.066 17991 2576 1 5 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.977 0.032 17991 2577 1 5 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.807 0.743 17991 2578 1 5 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.148 0.615 17991 2579 1 5 . 1 1 57 57 ILE H H 57 7.587 7.587 7.627 -0.040 17991 2580 1 5 . 1 1 58 58 GLU N N 58 118.190 118.190 120.789 -2.599 17991 2581 1 5 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.137 0.062 17991 2582 1 5 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.951 -1.646 17991 2583 1 5 . 1 1 58 58 GLU H H 58 8.114 8.114 7.697 0.417 17991 2584 1 5 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.387 0.122 17991 2585 1 5 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.253 0.309 17991 2586 1 5 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.320 0.146 17991 2587 1 5 . 1 1 60 60 CYS N N 60 115.035 115.035 117.590 -2.555 17991 2588 1 5 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.128 0.140 17991 2589 1 5 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.610 -1.497 17991 2590 1 5 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.518 -0.528 17991 2591 1 5 . 1 1 60 60 CYS H H 60 7.913 7.913 7.746 0.167 17991 2592 1 5 . 1 1 61 61 LYS N N 61 121.184 121.184 120.664 0.520 17991 2593 1 5 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.937 0.335 17991 2594 1 5 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.175 -1.086 17991 2595 1 5 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.112 0.316 17991 2596 1 5 . 1 1 61 61 LYS H H 61 8.197 8.197 8.190 0.007 17991 2597 1 5 . 1 1 62 62 LYS N N 62 118.253 118.253 117.236 1.017 17991 2598 1 5 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.258 -1.414 17991 2599 1 5 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.274 -0.184 17991 2600 1 5 . 1 1 62 62 LYS H H 62 7.982 7.982 7.814 0.168 17991 2601 1 5 . 1 1 63 63 PHE N N 63 118.763 118.763 117.464 1.299 17991 2602 1 5 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.408 -0.153 17991 2603 1 5 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.647 0.888 17991 2604 1 5 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.269 -0.119 17991 2605 1 5 . 1 1 63 63 PHE H H 63 8.155 8.155 7.630 0.525 17991 2606 1 5 . 1 1 64 64 SER N N 64 114.881 114.881 116.427 -1.546 17991 2607 1 5 . 1 1 64 64 SER HA H 64 4.268 4.268 3.907 0.361 17991 2608 1 5 . 1 1 64 64 SER CA C 64 61.588 61.588 61.641 -0.053 17991 2609 1 5 . 1 1 64 64 SER CB C 64 63.175 63.175 63.242 -0.067 17991 2610 1 5 . 1 1 64 64 SER H H 64 8.218 8.218 7.972 0.246 17991 2611 1 5 . 1 1 65 65 GLU N N 65 120.937 120.937 120.866 0.071 17991 2612 1 5 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.171 0.113 17991 2613 1 5 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.611 -0.400 17991 2614 1 5 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.600 -0.638 17991 2615 1 5 . 1 1 65 65 GLU H H 65 8.067 8.067 7.728 0.339 17991 2616 1 5 . 1 1 66 66 LEU N N 66 118.904 118.904 119.497 -0.593 17991 2617 1 5 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.098 0.165 17991 2618 1 5 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.317 -0.095 17991 2619 1 5 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.428 0.897 17991 2620 1 5 . 1 1 66 66 LEU H H 66 8.003 8.003 7.105 0.898 17991 2621 1 5 . 1 1 67 67 THR N N 67 108.190 108.190 112.224 -4.034 17991 2622 1 5 . 1 1 67 67 THR HA H 67 4.043 4.043 4.005 0.038 17991 2623 1 5 . 1 1 67 67 THR CA C 67 64.579 64.579 65.441 -0.862 17991 2624 1 5 . 1 1 67 67 THR CB C 67 69.410 69.410 67.975 1.435 17991 2625 1 5 . 1 1 67 67 THR H H 67 7.783 7.783 7.382 0.401 17991 2626 1 5 . 1 1 68 68 GLY N N 68 108.141 108.141 107.720 0.421 17991 2627 1 5 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.437 0.807 17991 2628 1 5 . 1 1 68 68 GLY H H 68 7.964 7.964 7.622 0.342 17991 2629 1 5 . 1 1 69 69 LEU N N 69 120.124 120.124 121.064 -0.940 17991 2630 1 5 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.580 -0.228 17991 2631 1 5 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.670 0.816 17991 2632 1 5 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.569 -0.195 17991 2633 1 5 . 1 1 69 69 LEU H H 69 7.749 7.749 7.502 0.247 17991 2634 1 5 . 1 1 70 70 VAL N N 70 115.546 115.546 117.751 -2.205 17991 2635 1 5 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.815 0.120 17991 2636 1 5 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.966 -1.337 17991 2637 1 5 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.315 -0.051 17991 2638 1 5 . 1 1 70 70 VAL H H 70 7.607 7.607 7.521 0.086 17991 2639 1 5 . 1 1 71 71 PHE N N 71 119.035 119.035 116.996 2.039 17991 2640 1 5 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.496 0.062 17991 2641 1 5 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.593 -1.046 17991 2642 1 5 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.511 -0.211 17991 2643 1 5 . 1 1 71 71 PHE H H 71 7.618 7.618 7.978 -0.360 17991 2644 1 5 . 1 1 72 72 TYR N N 72 118.365 118.365 118.206 0.159 17991 2645 1 5 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.622 -0.043 17991 2646 1 5 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.162 -1.065 17991 2647 1 5 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.697 -1.453 17991 2648 1 5 . 1 1 72 72 TYR H H 72 7.740 7.740 7.617 0.123 17991 2649 1 5 . 1 1 73 73 LEU N N 73 121.184 121.184 122.435 -1.251 17991 2650 1 5 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.779 -0.204 17991 2651 1 5 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.071 2.478 17991 2652 1 5 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.748 -0.667 17991 2653 1 5 . 1 1 73 73 LEU H H 73 7.713 7.713 7.965 -0.252 17991 2654 1 5 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.593 0.045 17991 2655 1 5 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.762 0.442 17991 2656 1 5 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.131 -0.450 17991 2657 1 5 . 1 1 75 75 THR N N 75 113.231 113.231 113.027 0.204 17991 2658 1 5 . 1 1 75 75 THR HA H 75 4.339 4.339 4.403 -0.064 17991 2659 1 5 . 1 1 75 75 THR CA C 75 62.684 62.684 62.188 0.496 17991 2660 1 5 . 1 1 75 75 THR H H 75 8.217 8.217 8.202 0.015 17991 2661 1 5 . 1 1 76 76 ASP N N 76 120.892 120.892 119.388 1.504 17991 2662 1 5 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.613 0.177 17991 2663 1 5 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.344 0.895 17991 2664 1 5 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.389 -2.074 17991 2665 1 5 . 1 1 76 76 ASP H H 76 8.406 8.406 7.597 0.809 17991 2666 1 5 . 1 1 77 77 SER N N 77 115.861 115.861 114.495 1.366 17991 2667 1 5 . 1 1 77 77 SER HA H 77 4.345 4.345 4.199 0.146 17991 2668 1 5 . 1 1 77 77 SER CA C 77 60.528 60.528 59.508 1.020 17991 2669 1 5 . 1 1 77 77 SER CB C 77 63.812 63.812 63.608 0.204 17991 2670 1 5 . 1 1 77 77 SER H H 77 8.238 8.238 8.418 -0.180 17991 2671 1 5 . 1 1 78 78 GLY N N 78 110.440 110.440 106.569 3.871 17991 2672 1 5 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.214 1.439 17991 2673 1 5 . 1 1 78 78 GLY H H 78 8.570 8.570 7.705 0.865 17991 2674 1 5 . 1 1 79 79 GLU N N 79 121.242 121.242 122.074 -0.832 17991 2675 1 5 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.083 0.237 17991 2676 1 5 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.040 -1.022 17991 2677 1 5 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.701 -0.619 17991 2678 1 5 . 1 1 79 79 GLU H H 79 8.237 8.237 8.590 -0.353 17991 2679 1 5 . 1 1 80 80 LYS N N 80 119.708 119.708 118.310 1.398 17991 2680 1 5 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.217 0.102 17991 2681 1 5 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.369 -0.488 17991 2682 1 5 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.955 0.791 17991 2683 1 5 . 1 1 80 80 LYS H H 80 8.252 8.252 8.370 -0.118 17991 2684 1 5 . 1 1 81 81 MET N N 81 119.849 119.849 117.728 2.121 17991 2685 1 5 . 1 1 81 81 MET HA H 81 4.367 4.367 4.456 -0.089 17991 2686 1 5 . 1 1 81 81 MET CA C 81 57.845 57.845 59.403 -1.558 17991 2687 1 5 . 1 1 81 81 MET CB C 81 32.658 32.658 32.203 0.455 17991 2688 1 5 . 1 1 81 81 MET H H 81 8.419 8.419 7.628 0.791 17991 2689 1 5 . 1 1 82 82 THR N N 82 114.947 114.947 114.037 0.910 17991 2690 1 5 . 1 1 82 82 THR HA H 82 4.132 4.132 4.008 0.124 17991 2691 1 5 . 1 1 82 82 THR CA C 82 65.377 65.377 66.500 -1.123 17991 2692 1 5 . 1 1 82 82 THR CB C 82 69.035 69.035 68.449 0.586 17991 2693 1 5 . 1 1 82 82 THR H H 82 8.115 8.115 8.243 -0.128 17991 2694 1 5 . 1 1 83 83 GLU N N 83 121.416 121.416 118.323 3.093 17991 2695 1 5 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.416 -0.043 17991 2696 1 5 . 1 1 83 83 GLU CA C 83 58.064 58.064 57.990 0.074 17991 2697 1 5 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.553 -0.611 17991 2698 1 5 . 1 1 83 83 GLU H H 83 8.336 8.336 7.880 0.456 17991 2699 1 5 . 1 1 84 84 SER N N 84 115.783 115.783 114.631 1.152 17991 2700 1 5 . 1 1 84 84 SER HA H 84 4.278 4.278 4.507 -0.229 17991 2701 1 5 . 1 1 84 84 SER CA C 84 61.685 61.685 60.669 1.016 17991 2702 1 5 . 1 1 84 84 SER H H 84 8.191 8.191 8.044 0.147 17991 2703 1 5 . 1 1 85 85 LYS N N 85 121.318 121.318 120.891 0.427 17991 2704 1 5 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.203 -0.118 17991 2705 1 5 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.492 1.296 17991 2706 1 5 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.880 -0.450 17991 2707 1 5 . 1 1 85 85 LYS H H 85 8.113 8.113 7.813 0.300 17991 2708 1 5 . 1 1 86 86 SER N N 86 115.042 115.042 116.256 -1.214 17991 2709 1 5 . 1 1 86 86 SER HA H 86 4.389 4.389 4.253 0.136 17991 2710 1 5 . 1 1 86 86 SER CA C 86 61.437 61.437 61.008 0.429 17991 2711 1 5 . 1 1 86 86 SER CB C 86 63.116 63.116 62.463 0.653 17991 2712 1 5 . 1 1 86 86 SER H H 86 8.066 8.066 7.737 0.329 17991 2713 1 5 . 1 1 87 87 VAL N N 87 122.920 122.920 120.587 2.333 17991 2714 1 5 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.793 0.587 17991 2715 1 5 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.330 0.793 17991 2716 1 5 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.602 -0.223 17991 2717 1 5 . 1 1 87 87 VAL H H 87 8.103 8.103 7.755 0.348 17991 2718 1 5 . 1 1 88 88 LEU N N 88 119.501 119.501 118.843 0.658 17991 2719 1 5 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.121 0.001 17991 2720 1 5 . 1 1 88 88 LEU CA C 88 57.906 57.906 56.776 1.130 17991 2721 1 5 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.766 0.178 17991 2722 1 5 . 1 1 88 88 LEU H H 88 8.146 8.146 7.731 0.415 17991 2723 1 5 . 1 1 89 89 LYS N N 89 120.285 120.285 119.742 0.543 17991 2724 1 5 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.060 0.035 17991 2725 1 5 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.851 1.036 17991 2726 1 5 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.227 -0.000 17991 2727 1 5 . 1 1 89 89 LYS H H 89 8.245 8.245 7.495 0.750 17991 2728 1 5 . 1 1 90 90 SER N N 90 115.131 115.131 114.195 0.936 17991 2729 1 5 . 1 1 90 90 SER HA H 90 4.362 4.362 4.335 0.027 17991 2730 1 5 . 1 1 90 90 SER CA C 90 61.815 61.815 59.822 1.994 17991 2731 1 5 . 1 1 90 90 SER H H 90 8.037 8.037 7.937 0.100 17991 2732 1 5 . 1 1 91 91 LEU N N 91 120.855 120.855 120.876 -0.021 17991 2733 1 5 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.205 -0.057 17991 2734 1 5 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.290 1.123 17991 2735 1 5 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.830 0.345 17991 2736 1 5 . 1 1 91 91 LEU H H 91 8.445 8.445 7.201 1.244 17991 2737 1 5 . 1 1 92 92 THR N N 92 112.933 112.933 115.488 -2.555 17991 2738 1 5 . 1 1 92 92 THR HA H 92 3.904 3.904 3.883 0.021 17991 2739 1 5 . 1 1 92 92 THR CA C 92 67.390 67.390 66.834 0.556 17991 2740 1 5 . 1 1 92 92 THR CB C 92 69.367 69.367 68.290 1.077 17991 2741 1 5 . 1 1 92 92 THR H H 92 8.383 8.383 7.537 0.846 17991 2742 1 5 . 1 1 93 93 GLU N N 93 120.387 120.387 120.403 -0.016 17991 2743 1 5 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.639 -0.152 17991 2744 1 5 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.442 -0.297 17991 2745 1 5 . 1 1 93 93 GLU H H 93 7.971 7.971 8.282 -0.311 17991 2746 1 5 . 1 1 94 94 LYS N N 94 118.470 118.470 117.649 0.821 17991 2747 1 5 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.240 -0.074 17991 2748 1 5 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.553 1.493 17991 2749 1 5 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.558 -0.211 17991 2750 1 5 . 1 1 94 94 LYS H H 94 7.804 7.804 7.999 -0.195 17991 2751 1 5 . 1 1 95 95 LEU N N 95 118.397 118.397 119.088 -0.691 17991 2752 1 5 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.303 -0.144 17991 2753 1 5 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.704 1.173 17991 2754 1 5 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.348 -0.399 17991 2755 1 5 . 1 1 95 95 LEU H H 95 8.256 8.256 7.762 0.494 17991 2756 1 5 . 1 1 96 96 LYS N N 96 117.747 117.747 119.255 -1.508 17991 2757 1 5 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.035 -0.095 17991 2758 1 5 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.394 0.888 17991 2759 1 5 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.031 0.318 17991 2760 1 5 . 1 1 96 96 LYS H H 96 8.105 8.105 8.493 -0.388 17991 2761 1 5 . 1 1 97 97 LYS N N 97 116.451 116.451 119.458 -3.007 17991 2762 1 5 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.196 -0.029 17991 2763 1 5 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.534 1.009 17991 2764 1 5 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.049 0.102 17991 2765 1 5 . 1 1 97 97 LYS H H 97 7.520 7.520 7.550 -0.030 17991 2766 1 5 . 1 1 98 98 ILE N N 98 117.587 117.587 122.852 -5.265 17991 2767 1 5 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.787 0.143 17991 2768 1 5 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.760 0.540 17991 2769 1 5 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.050 -0.301 17991 2770 1 5 . 1 1 98 98 ILE H H 98 7.782 7.782 7.557 0.225 17991 2771 1 5 . 1 1 99 99 VAL N N 99 116.989 116.989 120.383 -3.394 17991 2772 1 5 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.678 0.147 17991 2773 1 5 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.159 0.804 17991 2774 1 5 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.821 -0.339 17991 2775 1 5 . 1 1 99 99 VAL H H 99 7.917 7.917 7.542 0.375 17991 2776 1 5 . 1 1 100 100 GLU N N 100 116.782 116.782 119.526 -2.744 17991 2777 1 5 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.185 0.028 17991 2778 1 5 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.189 -0.215 17991 2779 1 5 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.318 -1.395 17991 2780 1 5 . 1 1 100 100 GLU H H 100 7.702 7.702 8.278 -0.576 17991 2781 1 5 . 1 1 101 101 LEU N N 101 118.218 118.218 119.128 -0.910 17991 2782 1 5 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.379 -0.224 17991 2783 1 5 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.283 -0.547 17991 2784 1 5 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.601 -1.562 17991 2785 1 5 . 1 1 101 101 LEU H H 101 7.751 7.751 7.734 0.017 17991 2786 1 5 . 1 1 102 102 ILE N N 102 119.412 119.412 116.838 2.574 17991 2787 1 5 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.507 -0.780 17991 2788 1 5 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.916 2.893 17991 2789 1 5 . 1 1 102 102 ILE H H 102 7.559 7.559 8.327 -0.768 17991 2790 1 5 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.451 0.136 17991 2791 1 5 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.208 0.081 17991 2792 1 5 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.727 0.159 17991 2793 1 5 . 1 1 104 104 SER N N 104 112.794 112.794 113.183 -0.389 17991 2794 1 5 . 1 1 104 104 SER HA H 104 4.571 4.571 4.304 0.267 17991 2795 1 5 . 1 1 104 104 SER CA C 104 59.286 59.286 60.092 -0.806 17991 2796 1 5 . 1 1 104 104 SER CB C 104 63.849 63.849 62.655 1.194 17991 2797 1 5 . 1 1 104 104 SER H H 104 8.100 8.100 8.445 -0.345 17991 2798 1 5 . 1 1 105 105 THR N N 105 114.655 114.655 114.269 0.386 17991 2799 1 5 . 1 1 105 105 THR HA H 105 4.318 4.318 4.505 -0.187 17991 2800 1 5 . 1 1 105 105 THR CA C 105 64.056 64.056 63.347 0.709 17991 2801 1 5 . 1 1 105 105 THR CB C 105 69.861 69.861 68.858 1.003 17991 2802 1 5 . 1 1 105 105 THR H H 105 8.186 8.186 7.681 0.505 17991 2803 1 5 . 1 1 106 106 SER N N 106 116.165 116.165 118.588 -2.423 17991 2804 1 5 . 1 1 106 106 SER HA H 106 4.344 4.344 4.241 0.103 17991 2805 1 5 . 1 1 106 106 SER CA C 106 60.864 60.864 61.391 -0.527 17991 2806 1 5 . 1 1 106 106 SER CB C 106 63.462 63.462 62.761 0.701 17991 2807 1 5 . 1 1 106 106 SER H H 106 8.200 8.200 7.823 0.377 17991 2808 1 5 . 1 1 107 107 SER N N 107 116.732 116.732 116.797 -0.065 17991 2809 1 5 . 1 1 107 107 SER HA H 107 4.413 4.413 4.318 0.095 17991 2810 1 5 . 1 1 107 107 SER CA C 107 60.051 60.051 61.068 -1.017 17991 2811 1 5 . 1 1 107 107 SER CB C 107 63.921 63.921 63.276 0.645 17991 2812 1 5 . 1 1 107 107 SER H H 107 8.114 8.114 8.037 0.077 17991 2813 1 5 . 1 1 108 108 ALA N N 108 122.523 122.523 122.887 -0.364 17991 2814 1 5 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.380 0.054 17991 2815 1 5 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.489 -0.007 17991 2816 1 5 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.780 0.551 17991 2817 1 5 . 1 1 108 108 ALA H H 108 8.022 8.022 7.626 0.396 17991 2818 1 5 . 1 1 109 109 VAL N N 109 117.146 117.146 121.472 -4.326 17991 2819 1 5 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.779 0.009 17991 2820 1 5 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.460 -1.625 17991 2821 1 5 . 1 1 109 109 VAL H H 109 7.829 7.829 8.373 -0.544 17991 2822 1 5 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.374 0.106 17991 2823 1 5 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.033 0.412 17991 2824 1 5 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.171 0.208 17991 2825 1 5 . 1 1 111 111 LEU N N 111 117.393 117.393 118.740 -1.347 17991 2826 1 5 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.342 -0.129 17991 2827 1 5 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.849 0.933 17991 2828 1 5 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.170 0.278 17991 2829 1 5 . 1 1 111 111 LEU H H 111 7.538 7.538 7.686 -0.148 17991 2830 1 5 . 1 1 112 112 ILE N N 112 117.001 117.001 118.712 -1.711 17991 2831 1 5 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.446 -0.445 17991 2832 1 5 . 1 1 112 112 ILE CA C 112 64.626 64.626 62.465 2.162 17991 2833 1 5 . 1 1 112 112 ILE H H 112 8.118 8.118 8.778 -0.660 17991 2834 1 5 . 1 1 113 113 GLY N N 113 106.840 106.840 109.755 -2.915 17991 2835 1 5 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.520 0.252 17991 2836 1 5 . 1 1 113 113 GLY H H 113 8.409 8.409 8.750 -0.341 17991 2837 1 5 . 1 1 114 114 LYS N N 114 120.736 120.736 121.425 -0.689 17991 2838 1 5 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.981 0.139 17991 2839 1 5 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.706 0.432 17991 2840 1 5 . 1 1 114 114 LYS H H 114 7.847 7.847 7.914 -0.067 17991 2841 1 5 . 1 1 115 115 TYR N N 115 117.055 117.055 118.415 -1.360 17991 2842 1 5 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.623 -0.351 17991 2843 1 5 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.669 -0.239 17991 2844 1 5 . 1 1 115 115 TYR H H 115 7.891 7.891 8.157 -0.266 17991 2845 1 5 . 1 1 116 116 MET H H 116 8.170 8.170 7.583 0.587 17991 2846 1 5 . 1 1 117 117 LEU N N 117 117.768 117.768 118.443 -0.675 17991 2847 1 5 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.040 -0.131 17991 2848 1 5 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.366 1.228 17991 2849 1 5 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.842 -0.506 17991 2850 1 5 . 1 1 117 117 LEU H H 117 7.781 7.781 7.661 0.120 17991 2851 1 5 . 1 1 118 118 PHE N N 118 118.204 118.204 119.881 -1.677 17991 2852 1 5 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.155 0.273 17991 2853 1 5 . 1 1 118 118 PHE CA C 118 60.735 60.735 60.748 -0.013 17991 2854 1 5 . 1 1 118 118 PHE H H 118 8.024 8.024 7.658 0.366 17991 2855 1 5 . 1 1 119 119 THR N N 119 114.941 114.941 114.198 0.743 17991 2856 1 5 . 1 1 119 119 THR HA H 119 3.972 3.972 4.069 -0.097 17991 2857 1 5 . 1 1 119 119 THR CA C 119 67.518 67.518 66.235 1.283 17991 2858 1 5 . 1 1 119 119 THR CB C 119 69.194 69.194 68.256 0.938 17991 2859 1 5 . 1 1 119 119 THR H H 119 8.171 8.171 8.128 0.043 17991 2860 1 5 . 1 1 120 120 LYS N N 120 121.758 121.758 120.759 0.999 17991 2861 1 5 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.065 -0.085 17991 2862 1 5 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.044 1.766 17991 2863 1 5 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.372 0.143 17991 2864 1 5 . 1 1 120 120 LYS H H 120 8.359 8.359 7.532 0.827 17991 2865 1 5 . 1 1 121 121 GLU N N 121 117.504 117.504 118.150 -0.646 17991 2866 1 5 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.237 -0.023 17991 2867 1 5 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.663 0.577 17991 2868 1 5 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.026 -1.643 17991 2869 1 5 . 1 1 121 121 GLU H H 121 8.222 8.222 7.928 0.294 17991 2870 1 5 . 1 1 122 122 PHE N N 122 121.586 121.586 121.583 0.003 17991 2871 1 5 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.383 -0.089 17991 2872 1 5 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.009 0.565 17991 2873 1 5 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.428 -0.069 17991 2874 1 5 . 1 1 122 122 PHE H H 122 8.562 8.562 8.027 0.536 17991 2875 1 5 . 1 1 123 123 VAL N N 123 121.558 121.558 119.796 1.762 17991 2876 1 5 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.762 -0.246 17991 2877 1 5 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.319 1.289 17991 2878 1 5 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.829 0.632 17991 2879 1 5 . 1 1 123 123 VAL H H 123 8.784 8.784 7.874 0.910 17991 2880 1 5 . 1 1 124 124 GLU N N 124 118.314 118.314 120.720 -2.406 17991 2881 1 5 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.048 -0.006 17991 2882 1 5 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.090 1.117 17991 2883 1 5 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.056 -0.631 17991 2884 1 5 . 1 1 124 124 GLU H H 124 8.564 8.564 7.699 0.865 17991 2885 1 5 . 1 1 125 125 SER N N 125 114.779 114.779 115.085 -0.306 17991 2886 1 5 . 1 1 125 125 SER HA H 125 4.265 4.265 4.117 0.148 17991 2887 1 5 . 1 1 125 125 SER CA C 125 62.342 62.342 61.361 0.981 17991 2888 1 5 . 1 1 125 125 SER CB C 125 63.162 63.162 62.834 0.328 17991 2889 1 5 . 1 1 125 125 SER H H 125 8.348 8.348 7.955 0.393 17991 2890 1 5 . 1 1 126 126 SER N N 126 118.464 118.464 117.196 1.268 17991 2891 1 5 . 1 1 126 126 SER HA H 126 4.069 4.069 4.319 -0.250 17991 2892 1 5 . 1 1 126 126 SER CA C 126 62.846 62.846 62.171 0.675 17991 2893 1 5 . 1 1 126 126 SER H H 126 8.144 8.144 7.830 0.314 17991 2894 1 5 . 1 1 127 127 ILE N N 127 124.705 124.705 122.057 2.648 17991 2895 1 5 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.099 -0.418 17991 2896 1 5 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.353 2.288 17991 2897 1 5 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.979 0.055 17991 2898 1 5 . 1 1 127 127 ILE H H 127 8.280 8.280 7.465 0.815 17991 2899 1 5 . 1 1 128 128 LYS N N 128 119.907 119.907 120.789 -0.882 17991 2900 1 5 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.636 0.249 17991 2901 1 5 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.235 0.013 17991 2902 1 5 . 1 1 128 128 LYS H H 128 7.741 7.741 7.958 -0.217 17991 2903 1 5 . 1 1 129 129 ILE N N 129 118.807 118.807 116.640 2.167 17991 2904 1 5 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.917 0.190 17991 2905 1 5 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.855 -0.463 17991 2906 1 5 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.325 -0.275 17991 2907 1 5 . 1 1 129 129 ILE H H 129 8.215 8.215 8.202 0.013 17991 2908 1 5 . 1 1 130 130 THR N N 130 117.328 117.328 113.574 3.754 17991 2909 1 5 . 1 1 130 130 THR HA H 130 3.921 3.921 3.921 -0.000 17991 2910 1 5 . 1 1 130 130 THR CA C 130 68.210 68.210 65.356 2.854 17991 2911 1 5 . 1 1 130 130 THR H H 130 7.988 7.988 7.700 0.288 17991 2912 1 5 . 1 1 131 131 GLU N N 131 118.968 118.968 121.971 -3.003 17991 2913 1 5 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.008 -0.030 17991 2914 1 5 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.105 0.495 17991 2915 1 5 . 1 1 131 131 GLU H H 131 8.439 8.439 8.137 0.302 17991 2916 1 5 . 1 1 132 132 GLU N N 132 118.712 118.712 118.119 0.593 17991 2917 1 5 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.179 0.047 17991 2918 1 5 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.194 1.073 17991 2919 1 5 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.837 -1.218 17991 2920 1 5 . 1 1 132 132 GLU H H 132 7.987 7.987 7.464 0.523 17991 2921 1 5 . 1 1 133 133 VAL N N 133 120.060 120.060 119.990 0.070 17991 2922 1 5 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.841 0.026 17991 2923 1 5 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.818 1.512 17991 2924 1 5 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.334 -0.178 17991 2925 1 5 . 1 1 133 133 VAL H H 133 8.341 8.341 7.819 0.522 17991 2926 1 5 . 1 1 134 134 ILE N N 134 119.699 119.699 120.491 -0.792 17991 2927 1 5 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.902 -0.042 17991 2928 1 5 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.846 3.338 17991 2929 1 5 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.918 -0.016 17991 2930 1 5 . 1 1 134 134 ILE H H 134 8.331 8.331 7.665 0.666 17991 2931 1 5 . 1 1 135 135 ASN N N 135 117.396 117.396 116.300 1.096 17991 2932 1 5 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.622 0.053 17991 2933 1 5 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.310 0.195 17991 2934 1 5 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.072 0.055 17991 2935 1 5 . 1 1 135 135 ASN H H 135 8.318 8.318 7.860 0.458 17991 2936 1 5 . 1 1 136 136 THR N N 136 111.419 111.419 110.657 0.762 17991 2937 1 5 . 1 1 136 136 THR HA H 136 4.308 4.308 4.413 -0.105 17991 2938 1 5 . 1 1 136 136 THR CA C 136 63.872 63.872 64.345 -0.473 17991 2939 1 5 . 1 1 136 136 THR CB C 136 69.779 69.779 69.816 -0.037 17991 2940 1 5 . 1 1 136 136 THR H H 136 8.006 8.006 7.445 0.561 17991 2941 1 5 . 1 1 137 137 HIS N N 137 118.612 118.612 122.437 -3.825 17991 2942 1 5 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.414 0.289 17991 2943 1 5 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.156 -2.696 17991 2944 1 5 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.216 -1.504 17991 2945 1 5 . 1 1 137 137 HIS H H 137 8.013 8.013 8.164 -0.151 17991 2946 1 5 . 1 1 138 138 HIS N N 138 118.709 118.709 116.386 2.323 17991 2947 1 5 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.500 0.327 17991 2948 1 5 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.668 -2.154 17991 2949 1 5 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.258 -1.012 17991 2950 1 5 . 1 1 138 138 HIS H H 138 8.169 8.169 7.667 0.502 17991 2951 1 5 . 1 1 139 139 ARG N N 139 123.025 123.025 118.776 4.249 17991 2952 1 5 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.403 0.163 17991 2953 1 5 . 1 1 139 139 ARG CA C 139 56.394 56.394 56.658 -0.264 17991 2954 1 5 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.785 0.236 17991 2955 1 5 . 1 1 139 139 ARG H H 139 8.419 8.419 8.153 0.266 17991 2956 1 6 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.367 0.371 17991 2957 1 6 . 1 1 8 8 HIS CA C 8 55.776 55.776 57.046 -1.270 17991 2958 1 6 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.395 -0.051 17991 2959 1 6 . 1 1 8 8 HIS H H 8 8.686 8.686 8.235 0.451 17991 2960 1 6 . 1 1 9 9 ALA N N 9 124.079 124.079 125.474 -1.395 17991 2961 1 6 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.464 -0.077 17991 2962 1 6 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.967 0.320 17991 2963 1 6 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.267 -1.092 17991 2964 1 6 . 1 1 9 9 ALA H H 9 8.457 8.457 8.327 0.130 17991 2965 1 6 . 1 1 10 10 MET N N 10 120.430 120.430 119.866 0.564 17991 2966 1 6 . 1 1 10 10 MET HA H 10 4.390 4.390 4.324 0.066 17991 2967 1 6 . 1 1 10 10 MET CA C 10 57.753 57.753 59.170 -1.417 17991 2968 1 6 . 1 1 10 10 MET CB C 10 32.355 32.355 33.789 -1.434 17991 2969 1 6 . 1 1 10 10 MET H H 10 8.545 8.545 8.151 0.394 17991 2970 1 6 . 1 1 11 11 VAL N N 11 119.159 119.159 114.677 4.482 17991 2971 1 6 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.072 -0.056 17991 2972 1 6 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.380 0.891 17991 2973 1 6 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.100 0.511 17991 2974 1 6 . 1 1 11 11 VAL H H 11 8.339 8.339 8.245 0.094 17991 2975 1 6 . 1 1 12 12 ILE N N 12 119.461 119.461 119.403 0.058 17991 2976 1 6 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.025 -0.072 17991 2977 1 6 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.403 0.931 17991 2978 1 6 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.385 -0.889 17991 2979 1 6 . 1 1 12 12 ILE H H 12 7.705 7.705 7.909 -0.204 17991 2980 1 6 . 1 1 13 13 ASP N N 13 119.460 119.460 118.755 0.705 17991 2981 1 6 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.575 -0.192 17991 2982 1 6 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.229 1.295 17991 2983 1 6 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.287 -1.875 17991 2984 1 6 . 1 1 13 13 ASP H H 13 8.172 8.172 7.818 0.354 17991 2985 1 6 . 1 1 14 14 HIS N N 14 116.421 116.421 118.534 -2.113 17991 2986 1 6 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.462 0.078 17991 2987 1 6 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.985 -0.237 17991 2988 1 6 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.206 -1.554 17991 2989 1 6 . 1 1 14 14 HIS H H 14 8.138 8.138 7.620 0.518 17991 2990 1 6 . 1 1 15 15 ILE N N 15 119.970 119.970 119.641 0.329 17991 2991 1 6 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.805 0.003 17991 2992 1 6 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.532 0.871 17991 2993 1 6 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.713 0.074 17991 2994 1 6 . 1 1 15 15 ILE H H 15 8.224 8.224 7.544 0.680 17991 2995 1 6 . 1 1 16 16 LEU N N 16 118.635 118.635 121.334 -2.699 17991 2996 1 6 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.337 0.655 17991 2997 1 6 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.527 0.259 17991 2998 1 6 . 1 1 16 16 LEU H H 16 8.480 8.480 7.898 0.582 17991 2999 1 6 . 1 1 17 17 LYS N N 17 118.257 118.257 118.298 -0.041 17991 3000 1 6 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.113 -0.019 17991 3001 1 6 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.013 0.869 17991 3002 1 6 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.730 0.486 17991 3003 1 6 . 1 1 17 17 LYS H H 17 8.098 8.098 7.902 0.196 17991 3004 1 6 . 1 1 18 18 CYS N N 18 117.220 117.220 117.583 -0.363 17991 3005 1 6 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.291 0.038 17991 3006 1 6 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.008 0.210 17991 3007 1 6 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.883 -1.061 17991 3008 1 6 . 1 1 18 18 CYS H H 18 7.899 7.899 7.931 -0.032 17991 3009 1 6 . 1 1 19 19 VAL N N 19 118.929 118.929 119.741 -0.812 17991 3010 1 6 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.048 -0.323 17991 3011 1 6 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.298 2.782 17991 3012 1 6 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.727 0.330 17991 3013 1 6 . 1 1 19 19 VAL H H 19 8.352 8.352 7.453 0.899 17991 3014 1 6 . 1 1 20 20 PHE N N 20 120.244 120.244 120.018 0.226 17991 3015 1 6 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.413 -0.139 17991 3016 1 6 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.791 1.835 17991 3017 1 6 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.994 0.086 17991 3018 1 6 . 1 1 20 20 PHE H H 20 8.791 8.791 8.895 -0.104 17991 3019 1 6 . 1 1 21 21 ASP N N 21 118.761 118.761 120.614 -1.853 17991 3020 1 6 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.359 0.004 17991 3021 1 6 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.614 -0.097 17991 3022 1 6 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.917 -0.849 17991 3023 1 6 . 1 1 21 21 ASP H H 21 8.705 8.705 7.943 0.762 17991 3024 1 6 . 1 1 22 22 LYS N N 22 118.200 118.200 119.975 -1.775 17991 3025 1 6 . 1 1 22 22 LYS HA H 22 4.194 4.194 3.990 0.204 17991 3026 1 6 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.275 -0.682 17991 3027 1 6 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.412 -0.113 17991 3028 1 6 . 1 1 22 22 LYS H H 22 7.810 7.810 7.533 0.277 17991 3029 1 6 . 1 1 23 23 ILE N N 23 118.534 118.534 119.007 -0.473 17991 3030 1 6 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.703 0.078 17991 3031 1 6 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.814 0.282 17991 3032 1 6 . 1 1 23 23 ILE H H 23 8.351 8.351 7.664 0.687 17991 3033 1 6 . 1 1 24 24 CYS N N 24 117.155 117.155 116.059 1.096 17991 3034 1 6 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.267 -0.218 17991 3035 1 6 . 1 1 24 24 CYS CA C 24 63.499 63.499 60.815 2.684 17991 3036 1 6 . 1 1 24 24 CYS CB C 24 26.626 26.626 26.639 -0.013 17991 3037 1 6 . 1 1 24 24 CYS H H 24 8.203 8.203 7.894 0.309 17991 3038 1 6 . 1 1 25 25 LYS N N 25 119.995 119.995 122.092 -2.097 17991 3039 1 6 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.545 -0.783 17991 3040 1 6 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.487 -0.102 17991 3041 1 6 . 1 1 25 25 LYS H H 25 7.760 7.760 7.349 0.411 17991 3042 1 6 . 1 1 26 26 ILE N N 26 119.168 119.168 113.967 5.201 17991 3043 1 6 . 1 1 26 26 ILE HA H 26 3.974 3.974 4.223 -0.249 17991 3044 1 6 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.320 0.786 17991 3045 1 6 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.855 -0.299 17991 3046 1 6 . 1 1 26 26 ILE H H 26 8.055 8.055 7.888 0.167 17991 3047 1 6 . 1 1 27 27 GLY N N 27 108.257 108.257 108.800 -0.543 17991 3048 1 6 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.190 -0.201 17991 3049 1 6 . 1 1 27 27 GLY H H 27 8.568 8.568 8.055 0.513 17991 3050 1 6 . 1 1 28 28 THR N N 28 112.727 112.727 113.960 -1.233 17991 3051 1 6 . 1 1 28 28 THR HA H 28 3.912 3.912 4.347 -0.435 17991 3052 1 6 . 1 1 28 28 THR CA C 28 64.717 64.717 63.824 0.893 17991 3053 1 6 . 1 1 28 28 THR CB C 28 69.375 69.375 69.130 0.245 17991 3054 1 6 . 1 1 28 28 THR H H 28 8.059 8.059 7.457 0.602 17991 3055 1 6 . 1 1 29 29 GLU N N 29 120.068 120.068 122.156 -2.088 17991 3056 1 6 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.912 -1.308 17991 3057 1 6 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.700 0.393 17991 3058 1 6 . 1 1 29 29 GLU H H 29 8.113 8.113 7.687 0.426 17991 3059 1 6 . 1 1 30 30 SER N N 30 114.882 114.882 114.405 0.477 17991 3060 1 6 . 1 1 30 30 SER HA H 30 4.374 4.374 4.175 0.199 17991 3061 1 6 . 1 1 30 30 SER CA C 30 60.353 60.353 59.686 0.667 17991 3062 1 6 . 1 1 30 30 SER H H 30 8.060 8.060 7.701 0.359 17991 3063 1 6 . 1 1 31 31 VAL N N 31 122.098 122.098 120.509 1.589 17991 3064 1 6 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.658 0.359 17991 3065 1 6 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.421 -0.794 17991 3066 1 6 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.636 0.350 17991 3067 1 6 . 1 1 31 31 VAL H H 31 8.127 8.127 7.430 0.697 17991 3068 1 6 . 1 1 32 32 GLU N N 32 120.280 120.280 120.056 0.224 17991 3069 1 6 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.105 0.213 17991 3070 1 6 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.060 -1.173 17991 3071 1 6 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.361 -0.709 17991 3072 1 6 . 1 1 32 32 GLU H H 32 8.243 8.243 7.444 0.799 17991 3073 1 6 . 1 1 33 33 ALA N N 33 121.715 121.715 121.241 0.474 17991 3074 1 6 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.978 0.211 17991 3075 1 6 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.263 0.461 17991 3076 1 6 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.995 0.733 17991 3077 1 6 . 1 1 33 33 ALA H H 33 8.218 8.218 7.515 0.703 17991 3078 1 6 . 1 1 34 34 GLY N N 34 104.656 104.656 105.628 -0.972 17991 3079 1 6 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.401 0.673 17991 3080 1 6 . 1 1 34 34 GLY H H 34 8.308 8.308 7.883 0.425 17991 3081 1 6 . 1 1 35 35 ARG N N 35 119.958 119.958 121.693 -1.735 17991 3082 1 6 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.332 -0.056 17991 3083 1 6 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.184 1.841 17991 3084 1 6 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.833 0.456 17991 3085 1 6 . 1 1 35 35 ARG H H 35 7.975 7.975 7.445 0.530 17991 3086 1 6 . 1 1 36 36 LEU N N 36 118.931 118.931 121.187 -2.256 17991 3087 1 6 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.106 0.118 17991 3088 1 6 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.059 -0.256 17991 3089 1 6 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.858 0.335 17991 3090 1 6 . 1 1 36 36 LEU H H 36 7.958 7.958 8.629 -0.671 17991 3091 1 6 . 1 1 37 37 ILE N N 37 118.087 118.087 118.754 -0.667 17991 3092 1 6 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.745 0.186 17991 3093 1 6 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.918 -0.059 17991 3094 1 6 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.711 0.328 17991 3095 1 6 . 1 1 37 37 ILE H H 37 7.904 7.904 7.585 0.319 17991 3096 1 6 . 1 1 38 38 GLU N N 38 120.989 120.989 120.003 0.986 17991 3097 1 6 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.928 0.303 17991 3098 1 6 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.761 -1.316 17991 3099 1 6 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.492 -0.482 17991 3100 1 6 . 1 1 38 38 GLU H H 38 8.041 8.041 7.503 0.538 17991 3101 1 6 . 1 1 39 39 LEU N N 39 120.111 120.111 119.409 0.702 17991 3102 1 6 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.121 0.150 17991 3103 1 6 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.501 -0.090 17991 3104 1 6 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.948 1.347 17991 3105 1 6 . 1 1 39 39 LEU H H 39 8.173 8.173 7.795 0.378 17991 3106 1 6 . 1 1 40 40 SER N N 40 113.806 113.806 112.261 1.545 17991 3107 1 6 . 1 1 40 40 SER HA H 40 4.312 4.312 4.204 0.108 17991 3108 1 6 . 1 1 40 40 SER CA C 40 60.406 60.406 60.802 -0.396 17991 3109 1 6 . 1 1 40 40 SER CB C 40 63.646 63.646 63.162 0.484 17991 3110 1 6 . 1 1 40 40 SER H H 40 8.031 8.031 7.574 0.457 17991 3111 1 6 . 1 1 41 41 GLN N N 41 120.139 120.139 117.905 2.234 17991 3112 1 6 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.231 0.165 17991 3113 1 6 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.655 -1.054 17991 3114 1 6 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.762 -0.377 17991 3115 1 6 . 1 1 41 41 GLN H H 41 7.956 7.956 7.803 0.153 17991 3116 1 6 . 1 1 42 42 GLU N N 42 119.728 119.728 116.115 3.613 17991 3117 1 6 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.322 0.051 17991 3118 1 6 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.927 0.162 17991 3119 1 6 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.978 -1.623 17991 3120 1 6 . 1 1 42 42 GLU H H 42 8.114 8.114 8.540 -0.426 17991 3121 1 6 . 1 1 43 43 GLY N N 43 108.655 108.655 109.455 -0.800 17991 3122 1 6 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.167 -0.544 17991 3123 1 6 . 1 1 43 43 GLY H H 43 8.325 8.325 8.094 0.231 17991 3124 1 6 . 1 1 44 44 GLY N N 44 107.872 107.872 106.576 1.296 17991 3125 1 6 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.185 1.302 17991 3126 1 6 . 1 1 44 44 GLY H H 44 8.105 8.105 7.754 0.351 17991 3127 1 6 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.969 1.426 17991 3128 1 6 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.447 0.022 17991 3129 1 6 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.301 1.129 17991 3130 1 6 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.871 0.450 17991 3131 1 6 . 1 1 50 50 LEU N N 50 116.864 116.864 118.153 -1.289 17991 3132 1 6 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.212 -0.010 17991 3133 1 6 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.324 0.225 17991 3134 1 6 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.505 0.195 17991 3135 1 6 . 1 1 50 50 LEU H H 50 8.336 8.336 8.013 0.323 17991 3136 1 6 . 1 1 51 51 TYR N N 51 118.433 118.433 121.017 -2.584 17991 3137 1 6 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.192 -0.027 17991 3138 1 6 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.503 0.531 17991 3139 1 6 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.301 0.183 17991 3140 1 6 . 1 1 51 51 TYR H H 51 7.765 7.765 7.817 -0.052 17991 3141 1 6 . 1 1 52 52 PHE N N 52 117.945 117.945 119.938 -1.993 17991 3142 1 6 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.578 0.682 17991 3143 1 6 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.368 -0.117 17991 3144 1 6 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.855 0.464 17991 3145 1 6 . 1 1 52 52 PHE H H 52 7.873 7.873 7.772 0.101 17991 3146 1 6 . 1 1 53 53 VAL N N 53 117.468 117.468 118.231 -0.763 17991 3147 1 6 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.532 0.120 17991 3148 1 6 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.463 0.835 17991 3149 1 6 . 1 1 53 53 VAL CB C 53 31.810 31.810 32.260 -0.450 17991 3150 1 6 . 1 1 53 53 VAL H H 53 7.864 7.864 7.492 0.372 17991 3151 1 6 . 1 1 54 54 VAL N N 54 116.929 116.929 120.230 -3.301 17991 3152 1 6 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.780 -0.078 17991 3153 1 6 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.737 0.330 17991 3154 1 6 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.475 0.326 17991 3155 1 6 . 1 1 54 54 VAL H H 54 7.958 7.958 7.833 0.125 17991 3156 1 6 . 1 1 55 55 ASN N N 55 115.543 115.543 117.291 -1.748 17991 3157 1 6 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.615 0.015 17991 3158 1 6 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.301 0.159 17991 3159 1 6 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.754 1.175 17991 3160 1 6 . 1 1 55 55 ASN H H 55 7.823 7.823 8.120 -0.297 17991 3161 1 6 . 1 1 56 56 VAL N N 56 116.125 116.125 118.690 -2.565 17991 3162 1 6 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.690 0.407 17991 3163 1 6 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.045 -0.906 17991 3164 1 6 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.877 0.126 17991 3165 1 6 . 1 1 56 56 VAL H H 56 7.664 7.664 7.154 0.510 17991 3166 1 6 . 1 1 57 57 ILE N N 57 116.872 116.872 118.420 -1.548 17991 3167 1 6 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.697 0.312 17991 3168 1 6 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.572 0.978 17991 3169 1 6 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.668 1.095 17991 3170 1 6 . 1 1 57 57 ILE H H 57 7.587 7.587 7.949 -0.362 17991 3171 1 6 . 1 1 58 58 GLU N N 58 118.190 118.190 120.490 -2.300 17991 3172 1 6 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.150 0.049 17991 3173 1 6 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.688 -1.383 17991 3174 1 6 . 1 1 58 58 GLU H H 58 8.114 8.114 7.802 0.312 17991 3175 1 6 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.364 0.145 17991 3176 1 6 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.885 0.677 17991 3177 1 6 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.297 0.169 17991 3178 1 6 . 1 1 60 60 CYS N N 60 115.035 115.035 118.070 -3.035 17991 3179 1 6 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.127 0.141 17991 3180 1 6 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.376 -1.263 17991 3181 1 6 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.746 -0.756 17991 3182 1 6 . 1 1 60 60 CYS H H 60 7.913 7.913 7.595 0.318 17991 3183 1 6 . 1 1 61 61 LYS N N 61 121.184 121.184 120.382 0.802 17991 3184 1 6 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.075 0.197 17991 3185 1 6 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.301 -0.212 17991 3186 1 6 . 1 1 61 61 LYS CB C 61 32.428 32.428 31.886 0.542 17991 3187 1 6 . 1 1 61 61 LYS H H 61 8.197 8.197 7.939 0.258 17991 3188 1 6 . 1 1 62 62 LYS N N 62 118.253 118.253 118.208 0.045 17991 3189 1 6 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.163 -1.319 17991 3190 1 6 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.206 -0.116 17991 3191 1 6 . 1 1 62 62 LYS H H 62 7.982 7.982 7.828 0.154 17991 3192 1 6 . 1 1 63 63 PHE N N 63 118.763 118.763 118.060 0.703 17991 3193 1 6 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.419 -0.164 17991 3194 1 6 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.765 0.769 17991 3195 1 6 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.334 -0.184 17991 3196 1 6 . 1 1 63 63 PHE H H 63 8.155 8.155 7.622 0.533 17991 3197 1 6 . 1 1 64 64 SER N N 64 114.881 114.881 116.545 -1.664 17991 3198 1 6 . 1 1 64 64 SER HA H 64 4.268 4.268 3.897 0.371 17991 3199 1 6 . 1 1 64 64 SER CA C 64 61.588 61.588 61.277 0.311 17991 3200 1 6 . 1 1 64 64 SER CB C 64 63.175 63.175 62.538 0.637 17991 3201 1 6 . 1 1 64 64 SER H H 64 8.218 8.218 7.984 0.234 17991 3202 1 6 . 1 1 65 65 GLU N N 65 120.937 120.937 119.073 1.864 17991 3203 1 6 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.221 0.063 17991 3204 1 6 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.059 0.151 17991 3205 1 6 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.735 -0.773 17991 3206 1 6 . 1 1 65 65 GLU H H 65 8.067 8.067 7.736 0.331 17991 3207 1 6 . 1 1 66 66 LEU N N 66 118.904 118.904 120.847 -1.943 17991 3208 1 6 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.045 0.218 17991 3209 1 6 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.138 0.084 17991 3210 1 6 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.712 0.613 17991 3211 1 6 . 1 1 66 66 LEU H H 66 8.003 8.003 7.527 0.476 17991 3212 1 6 . 1 1 67 67 THR N N 67 108.190 108.190 112.607 -4.417 17991 3213 1 6 . 1 1 67 67 THR HA H 67 4.043 4.043 3.915 0.128 17991 3214 1 6 . 1 1 67 67 THR CA C 67 64.579 64.579 65.622 -1.043 17991 3215 1 6 . 1 1 67 67 THR CB C 67 69.410 69.410 68.181 1.229 17991 3216 1 6 . 1 1 67 67 THR H H 67 7.783 7.783 7.437 0.346 17991 3217 1 6 . 1 1 68 68 GLY N N 68 108.141 108.141 107.531 0.610 17991 3218 1 6 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.344 0.900 17991 3219 1 6 . 1 1 68 68 GLY H H 68 7.964 7.964 7.471 0.493 17991 3220 1 6 . 1 1 69 69 LEU N N 69 120.124 120.124 121.254 -1.130 17991 3221 1 6 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.669 -0.317 17991 3222 1 6 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.811 0.675 17991 3223 1 6 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.742 -0.368 17991 3224 1 6 . 1 1 69 69 LEU H H 69 7.749 7.749 7.484 0.265 17991 3225 1 6 . 1 1 70 70 VAL N N 70 115.546 115.546 118.202 -2.656 17991 3226 1 6 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.921 0.013 17991 3227 1 6 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.643 -1.013 17991 3228 1 6 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.207 0.057 17991 3229 1 6 . 1 1 70 70 VAL H H 70 7.607 7.607 7.555 0.052 17991 3230 1 6 . 1 1 71 71 PHE N N 71 119.035 119.035 116.222 2.813 17991 3231 1 6 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.525 0.033 17991 3232 1 6 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.130 -0.583 17991 3233 1 6 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.900 -0.600 17991 3234 1 6 . 1 1 71 71 PHE H H 71 7.618 7.618 7.879 -0.261 17991 3235 1 6 . 1 1 72 72 TYR N N 72 118.365 118.365 118.132 0.233 17991 3236 1 6 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.622 -0.043 17991 3237 1 6 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.882 -0.785 17991 3238 1 6 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.437 -2.192 17991 3239 1 6 . 1 1 72 72 TYR H H 72 7.740 7.740 7.652 0.088 17991 3240 1 6 . 1 1 73 73 LEU N N 73 121.184 121.184 120.193 0.991 17991 3241 1 6 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.703 -0.128 17991 3242 1 6 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.183 1.366 17991 3243 1 6 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.627 -1.546 17991 3244 1 6 . 1 1 73 73 LEU H H 73 7.713 7.713 7.651 0.062 17991 3245 1 6 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.694 -0.056 17991 3246 1 6 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.310 0.894 17991 3247 1 6 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.341 -0.660 17991 3248 1 6 . 1 1 75 75 THR N N 75 113.231 113.231 115.793 -2.562 17991 3249 1 6 . 1 1 75 75 THR HA H 75 4.339 4.339 4.086 0.253 17991 3250 1 6 . 1 1 75 75 THR CA C 75 62.684 62.684 64.989 -2.305 17991 3251 1 6 . 1 1 75 75 THR H H 75 8.217 8.217 8.481 -0.264 17991 3252 1 6 . 1 1 76 76 ASP N N 76 120.892 120.892 115.295 5.597 17991 3253 1 6 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.579 0.211 17991 3254 1 6 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.453 0.786 17991 3255 1 6 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.711 -1.396 17991 3256 1 6 . 1 1 76 76 ASP H H 76 8.406 8.406 7.400 1.006 17991 3257 1 6 . 1 1 77 77 SER N N 77 115.861 115.861 114.458 1.403 17991 3258 1 6 . 1 1 77 77 SER HA H 77 4.345 4.345 4.239 0.106 17991 3259 1 6 . 1 1 77 77 SER CA C 77 60.528 60.528 59.962 0.566 17991 3260 1 6 . 1 1 77 77 SER CB C 77 63.812 63.812 63.524 0.288 17991 3261 1 6 . 1 1 77 77 SER H H 77 8.238 8.238 8.460 -0.222 17991 3262 1 6 . 1 1 78 78 GLY N N 78 110.440 110.440 106.434 4.006 17991 3263 1 6 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.216 1.437 17991 3264 1 6 . 1 1 78 78 GLY H H 78 8.570 8.570 7.747 0.823 17991 3265 1 6 . 1 1 79 79 GLU N N 79 121.242 121.242 121.346 -0.104 17991 3266 1 6 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.313 0.007 17991 3267 1 6 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.794 -0.776 17991 3268 1 6 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.718 -0.636 17991 3269 1 6 . 1 1 79 79 GLU H H 79 8.237 8.237 8.378 -0.141 17991 3270 1 6 . 1 1 80 80 LYS N N 80 119.708 119.708 118.599 1.109 17991 3271 1 6 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.191 0.128 17991 3272 1 6 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.420 -0.539 17991 3273 1 6 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.173 0.573 17991 3274 1 6 . 1 1 80 80 LYS H H 80 8.252 8.252 8.330 -0.078 17991 3275 1 6 . 1 1 81 81 MET N N 81 119.849 119.849 117.071 2.778 17991 3276 1 6 . 1 1 81 81 MET HA H 81 4.367 4.367 4.365 0.002 17991 3277 1 6 . 1 1 81 81 MET CA C 81 57.845 57.845 59.581 -1.736 17991 3278 1 6 . 1 1 81 81 MET CB C 81 32.658 32.658 32.036 0.622 17991 3279 1 6 . 1 1 81 81 MET H H 81 8.419 8.419 8.017 0.402 17991 3280 1 6 . 1 1 82 82 THR N N 82 114.947 114.947 114.113 0.834 17991 3281 1 6 . 1 1 82 82 THR HA H 82 4.132 4.132 3.958 0.174 17991 3282 1 6 . 1 1 82 82 THR CA C 82 65.377 65.377 66.983 -1.606 17991 3283 1 6 . 1 1 82 82 THR CB C 82 69.035 69.035 68.615 0.420 17991 3284 1 6 . 1 1 82 82 THR H H 82 8.115 8.115 7.778 0.337 17991 3285 1 6 . 1 1 83 83 GLU N N 83 121.416 121.416 118.580 2.836 17991 3286 1 6 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.323 0.050 17991 3287 1 6 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.491 -0.427 17991 3288 1 6 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.483 -0.541 17991 3289 1 6 . 1 1 83 83 GLU H H 83 8.336 8.336 7.911 0.425 17991 3290 1 6 . 1 1 84 84 SER N N 84 115.783 115.783 114.269 1.514 17991 3291 1 6 . 1 1 84 84 SER HA H 84 4.278 4.278 4.538 -0.260 17991 3292 1 6 . 1 1 84 84 SER CA C 84 61.685 61.685 60.661 1.024 17991 3293 1 6 . 1 1 84 84 SER H H 84 8.191 8.191 8.002 0.189 17991 3294 1 6 . 1 1 85 85 LYS N N 85 121.318 121.318 121.184 0.134 17991 3295 1 6 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.219 -0.134 17991 3296 1 6 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.623 1.165 17991 3297 1 6 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.943 -0.513 17991 3298 1 6 . 1 1 85 85 LYS H H 85 8.113 8.113 8.381 -0.268 17991 3299 1 6 . 1 1 86 86 SER N N 86 115.042 115.042 116.582 -1.540 17991 3300 1 6 . 1 1 86 86 SER HA H 86 4.389 4.389 4.213 0.176 17991 3301 1 6 . 1 1 86 86 SER CA C 86 61.437 61.437 61.532 -0.095 17991 3302 1 6 . 1 1 86 86 SER CB C 86 63.116 63.116 62.780 0.336 17991 3303 1 6 . 1 1 86 86 SER H H 86 8.066 8.066 7.769 0.297 17991 3304 1 6 . 1 1 87 87 VAL N N 87 122.920 122.920 120.789 2.131 17991 3305 1 6 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.803 0.577 17991 3306 1 6 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.649 0.474 17991 3307 1 6 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.678 -0.299 17991 3308 1 6 . 1 1 87 87 VAL H H 87 8.103 8.103 7.833 0.270 17991 3309 1 6 . 1 1 88 88 LEU N N 88 119.501 119.501 118.669 0.832 17991 3310 1 6 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.022 0.100 17991 3311 1 6 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.227 0.679 17991 3312 1 6 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.555 0.389 17991 3313 1 6 . 1 1 88 88 LEU H H 88 8.146 8.146 7.662 0.484 17991 3314 1 6 . 1 1 89 89 LYS N N 89 120.285 120.285 119.143 1.142 17991 3315 1 6 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.071 0.024 17991 3316 1 6 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.406 0.481 17991 3317 1 6 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.584 -0.358 17991 3318 1 6 . 1 1 89 89 LYS H H 89 8.245 8.245 7.584 0.661 17991 3319 1 6 . 1 1 90 90 SER N N 90 115.131 115.131 114.609 0.522 17991 3320 1 6 . 1 1 90 90 SER HA H 90 4.362 4.362 4.332 0.030 17991 3321 1 6 . 1 1 90 90 SER CA C 90 61.815 61.815 60.398 1.417 17991 3322 1 6 . 1 1 90 90 SER H H 90 8.037 8.037 8.173 -0.136 17991 3323 1 6 . 1 1 91 91 LEU N N 91 120.855 120.855 121.238 -0.383 17991 3324 1 6 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.298 -0.150 17991 3325 1 6 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.401 1.012 17991 3326 1 6 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.705 0.470 17991 3327 1 6 . 1 1 91 91 LEU H H 91 8.445 8.445 7.109 1.336 17991 3328 1 6 . 1 1 92 92 THR N N 92 112.933 112.933 115.607 -2.674 17991 3329 1 6 . 1 1 92 92 THR HA H 92 3.904 3.904 3.921 -0.017 17991 3330 1 6 . 1 1 92 92 THR CA C 92 67.390 67.390 66.520 0.870 17991 3331 1 6 . 1 1 92 92 THR CB C 92 69.367 69.367 68.083 1.284 17991 3332 1 6 . 1 1 92 92 THR H H 92 8.383 8.383 7.596 0.787 17991 3333 1 6 . 1 1 93 93 GLU N N 93 120.387 120.387 120.247 0.140 17991 3334 1 6 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.720 -0.233 17991 3335 1 6 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.406 -0.261 17991 3336 1 6 . 1 1 93 93 GLU H H 93 7.971 7.971 8.181 -0.210 17991 3337 1 6 . 1 1 94 94 LYS N N 94 118.470 118.470 117.628 0.842 17991 3338 1 6 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.221 -0.055 17991 3339 1 6 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.486 1.560 17991 3340 1 6 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.479 -0.132 17991 3341 1 6 . 1 1 94 94 LYS H H 94 7.804 7.804 7.994 -0.190 17991 3342 1 6 . 1 1 95 95 LEU N N 95 118.397 118.397 121.316 -2.919 17991 3343 1 6 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.421 -0.262 17991 3344 1 6 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.179 0.698 17991 3345 1 6 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.296 -0.347 17991 3346 1 6 . 1 1 95 95 LEU H H 95 8.256 8.256 7.687 0.569 17991 3347 1 6 . 1 1 96 96 LYS N N 96 117.747 117.747 118.916 -1.169 17991 3348 1 6 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.006 -0.066 17991 3349 1 6 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.731 0.551 17991 3350 1 6 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.049 0.300 17991 3351 1 6 . 1 1 96 96 LYS H H 96 8.105 8.105 8.701 -0.596 17991 3352 1 6 . 1 1 97 97 LYS N N 97 116.451 116.451 119.711 -3.260 17991 3353 1 6 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.192 -0.025 17991 3354 1 6 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.514 1.029 17991 3355 1 6 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.138 0.013 17991 3356 1 6 . 1 1 97 97 LYS H H 97 7.520 7.520 7.586 -0.066 17991 3357 1 6 . 1 1 98 98 ILE N N 98 117.587 117.587 122.519 -4.932 17991 3358 1 6 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.808 0.122 17991 3359 1 6 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.886 0.413 17991 3360 1 6 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.993 -0.244 17991 3361 1 6 . 1 1 98 98 ILE H H 98 7.782 7.782 8.151 -0.369 17991 3362 1 6 . 1 1 99 99 VAL N N 99 116.989 116.989 120.259 -3.270 17991 3363 1 6 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.728 0.097 17991 3364 1 6 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.699 0.264 17991 3365 1 6 . 1 1 99 99 VAL CB C 99 31.482 31.482 32.100 -0.618 17991 3366 1 6 . 1 1 99 99 VAL H H 99 7.917 7.917 7.588 0.329 17991 3367 1 6 . 1 1 100 100 GLU N N 100 116.782 116.782 118.974 -2.192 17991 3368 1 6 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.193 0.020 17991 3369 1 6 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.074 -0.100 17991 3370 1 6 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.314 -1.391 17991 3371 1 6 . 1 1 100 100 GLU H H 100 7.702 7.702 8.311 -0.609 17991 3372 1 6 . 1 1 101 101 LEU N N 101 118.218 118.218 120.355 -2.137 17991 3373 1 6 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.385 -0.230 17991 3374 1 6 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.450 -0.714 17991 3375 1 6 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.548 -1.510 17991 3376 1 6 . 1 1 101 101 LEU H H 101 7.751 7.751 7.748 0.003 17991 3377 1 6 . 1 1 102 102 ILE N N 102 119.412 119.412 117.336 2.076 17991 3378 1 6 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.497 -0.770 17991 3379 1 6 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.986 2.823 17991 3380 1 6 . 1 1 102 102 ILE H H 102 7.559 7.559 8.282 -0.723 17991 3381 1 6 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.371 0.216 17991 3382 1 6 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.405 -0.116 17991 3383 1 6 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.050 -0.164 17991 3384 1 6 . 1 1 104 104 SER N N 104 112.794 112.794 112.761 0.033 17991 3385 1 6 . 1 1 104 104 SER HA H 104 4.571 4.571 4.274 0.297 17991 3386 1 6 . 1 1 104 104 SER CA C 104 59.286 59.286 60.713 -1.427 17991 3387 1 6 . 1 1 104 104 SER CB C 104 63.849 63.849 62.931 0.918 17991 3388 1 6 . 1 1 104 104 SER H H 104 8.100 8.100 8.402 -0.302 17991 3389 1 6 . 1 1 105 105 THR N N 105 114.655 114.655 113.168 1.487 17991 3390 1 6 . 1 1 105 105 THR HA H 105 4.318 4.318 4.365 -0.047 17991 3391 1 6 . 1 1 105 105 THR CA C 105 64.056 64.056 63.929 0.127 17991 3392 1 6 . 1 1 105 105 THR CB C 105 69.861 69.861 68.992 0.869 17991 3393 1 6 . 1 1 105 105 THR H H 105 8.186 8.186 7.624 0.562 17991 3394 1 6 . 1 1 106 106 SER N N 106 116.165 116.165 118.899 -2.734 17991 3395 1 6 . 1 1 106 106 SER HA H 106 4.344 4.344 4.127 0.217 17991 3396 1 6 . 1 1 106 106 SER CA C 106 60.864 60.864 61.245 -0.381 17991 3397 1 6 . 1 1 106 106 SER CB C 106 63.462 63.462 62.667 0.795 17991 3398 1 6 . 1 1 106 106 SER H H 106 8.200 8.200 8.136 0.064 17991 3399 1 6 . 1 1 107 107 SER N N 107 116.732 116.732 118.031 -1.299 17991 3400 1 6 . 1 1 107 107 SER HA H 107 4.413 4.413 4.212 0.201 17991 3401 1 6 . 1 1 107 107 SER CA C 107 60.051 60.051 61.106 -1.055 17991 3402 1 6 . 1 1 107 107 SER CB C 107 63.921 63.921 63.052 0.869 17991 3403 1 6 . 1 1 107 107 SER H H 107 8.114 8.114 8.010 0.104 17991 3404 1 6 . 1 1 108 108 ALA N N 108 122.523 122.523 122.563 -0.040 17991 3405 1 6 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.287 0.147 17991 3406 1 6 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.543 -0.061 17991 3407 1 6 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.750 0.581 17991 3408 1 6 . 1 1 108 108 ALA H H 108 8.022 8.022 8.030 -0.008 17991 3409 1 6 . 1 1 109 109 VAL N N 109 117.146 117.146 121.158 -4.012 17991 3410 1 6 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.774 0.014 17991 3411 1 6 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.489 -1.654 17991 3412 1 6 . 1 1 109 109 VAL H H 109 7.829 7.829 8.406 -0.577 17991 3413 1 6 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.377 0.103 17991 3414 1 6 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.950 0.495 17991 3415 1 6 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.241 0.139 17991 3416 1 6 . 1 1 111 111 LEU N N 111 117.393 117.393 118.846 -1.453 17991 3417 1 6 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.363 -0.150 17991 3418 1 6 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.731 1.051 17991 3419 1 6 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.245 0.203 17991 3420 1 6 . 1 1 111 111 LEU H H 111 7.538 7.538 7.619 -0.081 17991 3421 1 6 . 1 1 112 112 ILE N N 112 117.001 117.001 119.521 -2.520 17991 3422 1 6 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.248 -0.247 17991 3423 1 6 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.358 1.268 17991 3424 1 6 . 1 1 112 112 ILE H H 112 8.118 8.118 8.875 -0.757 17991 3425 1 6 . 1 1 113 113 GLY N N 113 106.840 106.840 108.815 -1.975 17991 3426 1 6 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.206 0.566 17991 3427 1 6 . 1 1 113 113 GLY H H 113 8.409 8.409 8.592 -0.183 17991 3428 1 6 . 1 1 114 114 LYS N N 114 120.736 120.736 121.772 -1.036 17991 3429 1 6 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.970 0.150 17991 3430 1 6 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.815 0.323 17991 3431 1 6 . 1 1 114 114 LYS H H 114 7.847 7.847 7.486 0.361 17991 3432 1 6 . 1 1 115 115 TYR N N 115 117.055 117.055 117.416 -0.361 17991 3433 1 6 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.541 -0.269 17991 3434 1 6 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.592 -0.162 17991 3435 1 6 . 1 1 115 115 TYR H H 115 7.891 7.891 8.099 -0.208 17991 3436 1 6 . 1 1 116 116 MET H H 116 8.170 8.170 7.697 0.473 17991 3437 1 6 . 1 1 117 117 LEU N N 117 117.768 117.768 118.309 -0.541 17991 3438 1 6 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.010 -0.101 17991 3439 1 6 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.569 1.025 17991 3440 1 6 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.641 -0.305 17991 3441 1 6 . 1 1 117 117 LEU H H 117 7.781 7.781 7.706 0.075 17991 3442 1 6 . 1 1 118 118 PHE N N 118 118.204 118.204 119.663 -1.459 17991 3443 1 6 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.090 0.338 17991 3444 1 6 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.928 -1.193 17991 3445 1 6 . 1 1 118 118 PHE H H 118 8.024 8.024 7.667 0.357 17991 3446 1 6 . 1 1 119 119 THR N N 119 114.941 114.941 114.702 0.239 17991 3447 1 6 . 1 1 119 119 THR HA H 119 3.972 3.972 4.073 -0.101 17991 3448 1 6 . 1 1 119 119 THR CA C 119 67.518 67.518 66.930 0.588 17991 3449 1 6 . 1 1 119 119 THR CB C 119 69.194 69.194 68.664 0.530 17991 3450 1 6 . 1 1 119 119 THR H H 119 8.171 8.171 8.031 0.140 17991 3451 1 6 . 1 1 120 120 LYS N N 120 121.758 121.758 121.515 0.243 17991 3452 1 6 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.969 0.011 17991 3453 1 6 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.907 0.902 17991 3454 1 6 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.341 0.174 17991 3455 1 6 . 1 1 120 120 LYS H H 120 8.359 8.359 8.000 0.359 17991 3456 1 6 . 1 1 121 121 GLU N N 121 117.504 117.504 116.751 0.753 17991 3457 1 6 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.225 -0.011 17991 3458 1 6 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.197 1.043 17991 3459 1 6 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.823 -1.440 17991 3460 1 6 . 1 1 121 121 GLU H H 121 8.222 8.222 7.655 0.567 17991 3461 1 6 . 1 1 122 122 PHE N N 122 121.586 121.586 120.316 1.270 17991 3462 1 6 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.500 -0.206 17991 3463 1 6 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.422 1.152 17991 3464 1 6 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.258 -0.899 17991 3465 1 6 . 1 1 122 122 PHE H H 122 8.562 8.562 7.906 0.656 17991 3466 1 6 . 1 1 123 123 VAL N N 123 121.558 121.558 119.725 1.833 17991 3467 1 6 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.607 -0.091 17991 3468 1 6 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.670 0.938 17991 3469 1 6 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.283 0.178 17991 3470 1 6 . 1 1 123 123 VAL H H 123 8.784 8.784 8.716 0.068 17991 3471 1 6 . 1 1 124 124 GLU N N 124 118.314 118.314 119.957 -1.643 17991 3472 1 6 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.008 0.034 17991 3473 1 6 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.010 1.197 17991 3474 1 6 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.076 -0.651 17991 3475 1 6 . 1 1 124 124 GLU H H 124 8.564 8.564 8.074 0.490 17991 3476 1 6 . 1 1 125 125 SER N N 125 114.779 114.779 114.494 0.285 17991 3477 1 6 . 1 1 125 125 SER HA H 125 4.265 4.265 4.106 0.159 17991 3478 1 6 . 1 1 125 125 SER CA C 125 62.342 62.342 61.277 1.065 17991 3479 1 6 . 1 1 125 125 SER CB C 125 63.162 63.162 62.898 0.265 17991 3480 1 6 . 1 1 125 125 SER H H 125 8.348 8.348 8.114 0.234 17991 3481 1 6 . 1 1 126 126 SER N N 126 118.464 118.464 117.195 1.269 17991 3482 1 6 . 1 1 126 126 SER HA H 126 4.069 4.069 4.497 -0.428 17991 3483 1 6 . 1 1 126 126 SER CA C 126 62.846 62.846 61.590 1.256 17991 3484 1 6 . 1 1 126 126 SER H H 126 8.144 8.144 7.806 0.338 17991 3485 1 6 . 1 1 127 127 ILE N N 127 124.705 124.705 116.340 8.365 17991 3486 1 6 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.424 -0.743 17991 3487 1 6 . 1 1 127 127 ILE CA C 127 65.641 65.641 62.768 2.873 17991 3488 1 6 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.852 0.182 17991 3489 1 6 . 1 1 127 127 ILE H H 127 8.280 8.280 7.138 1.142 17991 3490 1 6 . 1 1 128 128 LYS N N 128 119.907 119.907 120.393 -0.486 17991 3491 1 6 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.080 0.805 17991 3492 1 6 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.389 -0.141 17991 3493 1 6 . 1 1 128 128 LYS H H 128 7.741 7.741 8.273 -0.532 17991 3494 1 6 . 1 1 129 129 ILE N N 129 118.807 118.807 117.086 1.721 17991 3495 1 6 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.982 0.125 17991 3496 1 6 . 1 1 129 129 ILE CA C 129 64.392 64.392 63.725 0.667 17991 3497 1 6 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.947 -0.897 17991 3498 1 6 . 1 1 129 129 ILE H H 129 8.215 8.215 7.464 0.751 17991 3499 1 6 . 1 1 130 130 THR N N 130 117.328 117.328 112.931 4.397 17991 3500 1 6 . 1 1 130 130 THR HA H 130 3.921 3.921 3.958 -0.037 17991 3501 1 6 . 1 1 130 130 THR CA C 130 68.210 68.210 65.153 3.057 17991 3502 1 6 . 1 1 130 130 THR H H 130 7.988 7.988 7.557 0.431 17991 3503 1 6 . 1 1 131 131 GLU N N 131 118.968 118.968 121.592 -2.624 17991 3504 1 6 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.090 -0.112 17991 3505 1 6 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.889 0.711 17991 3506 1 6 . 1 1 131 131 GLU H H 131 8.439 8.439 7.892 0.547 17991 3507 1 6 . 1 1 132 132 GLU N N 132 118.712 118.712 118.769 -0.057 17991 3508 1 6 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.243 -0.017 17991 3509 1 6 . 1 1 132 132 GLU CA C 132 59.267 59.267 57.910 1.357 17991 3510 1 6 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.256 -1.637 17991 3511 1 6 . 1 1 132 132 GLU H H 132 7.987 7.987 7.539 0.448 17991 3512 1 6 . 1 1 133 133 VAL N N 133 120.060 120.060 120.913 -0.853 17991 3513 1 6 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.763 0.104 17991 3514 1 6 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.250 2.080 17991 3515 1 6 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.012 1.145 17991 3516 1 6 . 1 1 133 133 VAL H H 133 8.341 8.341 7.795 0.546 17991 3517 1 6 . 1 1 134 134 ILE N N 134 119.699 119.699 115.606 4.093 17991 3518 1 6 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.960 -0.100 17991 3519 1 6 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.638 1.546 17991 3520 1 6 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.229 0.673 17991 3521 1 6 . 1 1 134 134 ILE H H 134 8.331 8.331 7.398 0.933 17991 3522 1 6 . 1 1 135 135 ASN N N 135 117.396 117.396 118.239 -0.843 17991 3523 1 6 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.422 0.253 17991 3524 1 6 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.277 -0.772 17991 3525 1 6 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.145 0.982 17991 3526 1 6 . 1 1 135 135 ASN H H 135 8.318 8.318 8.076 0.242 17991 3527 1 6 . 1 1 136 136 THR N N 136 111.419 111.419 113.585 -2.166 17991 3528 1 6 . 1 1 136 136 THR HA H 136 4.308 4.308 4.349 -0.041 17991 3529 1 6 . 1 1 136 136 THR CA C 136 63.872 63.872 65.852 -1.980 17991 3530 1 6 . 1 1 136 136 THR CB C 136 69.779 69.779 68.887 0.892 17991 3531 1 6 . 1 1 136 136 THR H H 136 8.006 8.006 7.739 0.267 17991 3532 1 6 . 1 1 137 137 HIS N N 137 118.612 118.612 123.131 -4.519 17991 3533 1 6 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.243 0.460 17991 3534 1 6 . 1 1 137 137 HIS CA C 137 56.460 56.460 60.320 -3.860 17991 3535 1 6 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.171 -1.458 17991 3536 1 6 . 1 1 137 137 HIS H H 137 8.013 8.013 7.601 0.412 17991 3537 1 6 . 1 1 138 138 HIS N N 138 118.709 118.709 117.375 1.334 17991 3538 1 6 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.381 0.445 17991 3539 1 6 . 1 1 138 138 HIS CA C 138 55.514 55.514 59.067 -3.553 17991 3540 1 6 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.081 -0.835 17991 3541 1 6 . 1 1 138 138 HIS H H 138 8.169 8.169 8.413 -0.244 17991 3542 1 6 . 1 1 139 139 ARG N N 139 123.025 123.025 118.199 4.826 17991 3543 1 6 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.309 0.257 17991 3544 1 6 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.252 -1.858 17991 3545 1 6 . 1 1 139 139 ARG CB C 139 31.021 31.021 31.232 -0.211 17991 3546 1 6 . 1 1 139 139 ARG H H 139 8.419 8.419 8.334 0.085 17991 3547 1 7 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.240 0.498 17991 3548 1 7 . 1 1 8 8 HIS CA C 8 55.776 55.776 57.526 -1.750 17991 3549 1 7 . 1 1 8 8 HIS CB C 8 29.344 29.344 28.684 0.660 17991 3550 1 7 . 1 1 8 8 HIS H H 8 8.686 8.686 8.254 0.432 17991 3551 1 7 . 1 1 9 9 ALA N N 9 124.079 124.079 123.959 0.120 17991 3552 1 7 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.323 0.064 17991 3553 1 7 . 1 1 9 9 ALA CA C 9 53.287 53.287 53.133 0.154 17991 3554 1 7 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.261 -0.086 17991 3555 1 7 . 1 1 9 9 ALA H H 9 8.457 8.457 8.075 0.382 17991 3556 1 7 . 1 1 10 10 MET N N 10 120.430 120.430 119.384 1.046 17991 3557 1 7 . 1 1 10 10 MET HA H 10 4.390 4.390 4.304 0.086 17991 3558 1 7 . 1 1 10 10 MET CA C 10 57.753 57.753 57.990 -0.237 17991 3559 1 7 . 1 1 10 10 MET CB C 10 32.355 32.355 32.269 0.086 17991 3560 1 7 . 1 1 10 10 MET H H 10 8.545 8.545 8.159 0.386 17991 3561 1 7 . 1 1 11 11 VAL N N 11 119.159 119.159 113.476 5.683 17991 3562 1 7 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.921 0.095 17991 3563 1 7 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.744 1.527 17991 3564 1 7 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.494 0.117 17991 3565 1 7 . 1 1 11 11 VAL H H 11 8.339 8.339 7.580 0.759 17991 3566 1 7 . 1 1 12 12 ILE N N 12 119.461 119.461 120.341 -0.880 17991 3567 1 7 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.077 -0.124 17991 3568 1 7 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.576 0.758 17991 3569 1 7 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.154 -0.658 17991 3570 1 7 . 1 1 12 12 ILE H H 12 7.705 7.705 7.889 -0.184 17991 3571 1 7 . 1 1 13 13 ASP N N 13 119.460 119.460 119.477 -0.017 17991 3572 1 7 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.673 -0.289 17991 3573 1 7 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.898 1.626 17991 3574 1 7 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.099 -1.687 17991 3575 1 7 . 1 1 13 13 ASP H H 13 8.172 8.172 7.829 0.343 17991 3576 1 7 . 1 1 14 14 HIS N N 14 116.421 116.421 118.401 -1.980 17991 3577 1 7 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.472 0.068 17991 3578 1 7 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.567 0.181 17991 3579 1 7 . 1 1 14 14 HIS CB C 14 28.652 28.652 29.895 -1.243 17991 3580 1 7 . 1 1 14 14 HIS H H 14 8.138 8.138 7.803 0.335 17991 3581 1 7 . 1 1 15 15 ILE N N 15 119.970 119.970 119.907 0.063 17991 3582 1 7 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.777 0.031 17991 3583 1 7 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.575 0.829 17991 3584 1 7 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.695 0.092 17991 3585 1 7 . 1 1 15 15 ILE H H 15 8.224 8.224 7.574 0.650 17991 3586 1 7 . 1 1 16 16 LEU N N 16 118.635 118.635 122.132 -3.497 17991 3587 1 7 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.254 0.738 17991 3588 1 7 . 1 1 16 16 LEU CA C 16 58.786 58.786 59.048 -0.263 17991 3589 1 7 . 1 1 16 16 LEU H H 16 8.480 8.480 8.046 0.434 17991 3590 1 7 . 1 1 17 17 LYS N N 17 118.257 118.257 117.806 0.451 17991 3591 1 7 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.009 0.085 17991 3592 1 7 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.030 0.852 17991 3593 1 7 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.938 0.278 17991 3594 1 7 . 1 1 17 17 LYS H H 17 8.098 8.098 7.924 0.174 17991 3595 1 7 . 1 1 18 18 CYS N N 18 117.220 117.220 118.305 -1.085 17991 3596 1 7 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.283 0.046 17991 3597 1 7 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.292 0.926 17991 3598 1 7 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.026 -0.204 17991 3599 1 7 . 1 1 18 18 CYS H H 18 7.899 7.899 7.959 -0.060 17991 3600 1 7 . 1 1 19 19 VAL N N 19 118.929 118.929 120.386 -1.457 17991 3601 1 7 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.950 -0.225 17991 3602 1 7 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.692 1.388 17991 3603 1 7 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.213 -0.156 17991 3604 1 7 . 1 1 19 19 VAL H H 19 8.352 8.352 7.720 0.632 17991 3605 1 7 . 1 1 20 20 PHE N N 20 120.244 120.244 119.535 0.709 17991 3606 1 7 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.378 -0.104 17991 3607 1 7 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.380 2.246 17991 3608 1 7 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.869 0.211 17991 3609 1 7 . 1 1 20 20 PHE H H 20 8.791 8.791 8.826 -0.035 17991 3610 1 7 . 1 1 21 21 ASP N N 21 118.761 118.761 120.460 -1.699 17991 3611 1 7 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.393 -0.030 17991 3612 1 7 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.169 0.348 17991 3613 1 7 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.897 -0.829 17991 3614 1 7 . 1 1 21 21 ASP H H 21 8.705 8.705 7.854 0.851 17991 3615 1 7 . 1 1 22 22 LYS N N 22 118.200 118.200 119.724 -1.524 17991 3616 1 7 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.111 0.083 17991 3617 1 7 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.173 -0.580 17991 3618 1 7 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.526 -0.227 17991 3619 1 7 . 1 1 22 22 LYS H H 22 7.810 7.810 7.521 0.289 17991 3620 1 7 . 1 1 23 23 ILE N N 23 118.534 118.534 119.625 -1.091 17991 3621 1 7 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.659 0.122 17991 3622 1 7 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.528 0.568 17991 3623 1 7 . 1 1 23 23 ILE H H 23 8.351 8.351 7.665 0.686 17991 3624 1 7 . 1 1 24 24 CYS N N 24 117.155 117.155 115.929 1.226 17991 3625 1 7 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.215 -0.166 17991 3626 1 7 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.759 0.740 17991 3627 1 7 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.584 -0.958 17991 3628 1 7 . 1 1 24 24 CYS H H 24 8.203 8.203 7.685 0.518 17991 3629 1 7 . 1 1 25 25 LYS N N 25 119.995 119.995 122.051 -2.056 17991 3630 1 7 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.571 -0.809 17991 3631 1 7 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.367 0.018 17991 3632 1 7 . 1 1 25 25 LYS H H 25 7.760 7.760 7.286 0.474 17991 3633 1 7 . 1 1 26 26 ILE N N 26 119.168 119.168 118.196 0.972 17991 3634 1 7 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.607 0.367 17991 3635 1 7 . 1 1 26 26 ILE CA C 26 64.106 64.106 64.190 -0.084 17991 3636 1 7 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.509 0.047 17991 3637 1 7 . 1 1 26 26 ILE H H 26 8.055 8.055 8.431 -0.376 17991 3638 1 7 . 1 1 27 27 GLY N N 27 108.257 108.257 105.971 2.286 17991 3639 1 7 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.822 0.167 17991 3640 1 7 . 1 1 27 27 GLY H H 27 8.568 8.568 7.475 1.093 17991 3641 1 7 . 1 1 28 28 THR N N 28 112.727 112.727 115.730 -3.003 17991 3642 1 7 . 1 1 28 28 THR HA H 28 3.912 3.912 3.836 0.076 17991 3643 1 7 . 1 1 28 28 THR CA C 28 64.717 64.717 65.918 -1.201 17991 3644 1 7 . 1 1 28 28 THR CB C 28 69.375 69.375 68.604 0.771 17991 3645 1 7 . 1 1 28 28 THR H H 28 8.059 8.059 7.818 0.241 17991 3646 1 7 . 1 1 29 29 GLU N N 29 120.068 120.068 120.650 -0.582 17991 3647 1 7 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.114 -1.510 17991 3648 1 7 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.299 -0.205 17991 3649 1 7 . 1 1 29 29 GLU H H 29 8.113 8.113 7.979 0.134 17991 3650 1 7 . 1 1 30 30 SER N N 30 114.882 114.882 114.982 -0.100 17991 3651 1 7 . 1 1 30 30 SER HA H 30 4.374 4.374 4.111 0.263 17991 3652 1 7 . 1 1 30 30 SER CA C 30 60.353 60.353 60.428 -0.075 17991 3653 1 7 . 1 1 30 30 SER H H 30 8.060 8.060 7.673 0.387 17991 3654 1 7 . 1 1 31 31 VAL N N 31 122.098 122.098 121.192 0.906 17991 3655 1 7 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.729 0.288 17991 3656 1 7 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.938 -1.311 17991 3657 1 7 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.598 0.387 17991 3658 1 7 . 1 1 31 31 VAL H H 31 8.127 8.127 8.135 -0.008 17991 3659 1 7 . 1 1 32 32 GLU N N 32 120.280 120.280 120.128 0.152 17991 3660 1 7 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.141 0.177 17991 3661 1 7 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.423 -1.536 17991 3662 1 7 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.320 -0.667 17991 3663 1 7 . 1 1 32 32 GLU H H 32 8.243 8.243 7.499 0.744 17991 3664 1 7 . 1 1 33 33 ALA N N 33 121.715 121.715 121.309 0.406 17991 3665 1 7 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.156 0.033 17991 3666 1 7 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.643 0.081 17991 3667 1 7 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.152 0.576 17991 3668 1 7 . 1 1 33 33 ALA H H 33 8.218 8.218 7.587 0.631 17991 3669 1 7 . 1 1 34 34 GLY N N 34 104.656 104.656 105.852 -1.196 17991 3670 1 7 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.605 0.469 17991 3671 1 7 . 1 1 34 34 GLY H H 34 8.308 8.308 8.048 0.260 17991 3672 1 7 . 1 1 35 35 ARG N N 35 119.958 119.958 121.864 -1.906 17991 3673 1 7 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.331 -0.055 17991 3674 1 7 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.267 1.758 17991 3675 1 7 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.934 0.355 17991 3676 1 7 . 1 1 35 35 ARG H H 35 7.975 7.975 7.553 0.422 17991 3677 1 7 . 1 1 36 36 LEU N N 36 118.931 118.931 121.200 -2.269 17991 3678 1 7 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.114 0.110 17991 3679 1 7 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.369 -0.566 17991 3680 1 7 . 1 1 36 36 LEU CB C 36 42.193 42.193 42.031 0.162 17991 3681 1 7 . 1 1 36 36 LEU H H 36 7.958 7.958 8.712 -0.754 17991 3682 1 7 . 1 1 37 37 ILE N N 37 118.087 118.087 118.744 -0.657 17991 3683 1 7 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.746 0.185 17991 3684 1 7 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.982 -0.123 17991 3685 1 7 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.682 0.357 17991 3686 1 7 . 1 1 37 37 ILE H H 37 7.904 7.904 7.605 0.299 17991 3687 1 7 . 1 1 38 38 GLU N N 38 120.989 120.989 119.738 1.251 17991 3688 1 7 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.988 0.243 17991 3689 1 7 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.516 -1.071 17991 3690 1 7 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.522 -0.511 17991 3691 1 7 . 1 1 38 38 GLU H H 38 8.041 8.041 7.573 0.468 17991 3692 1 7 . 1 1 39 39 LEU N N 39 120.111 120.111 119.833 0.278 17991 3693 1 7 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.122 0.149 17991 3694 1 7 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.387 0.024 17991 3695 1 7 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.416 0.879 17991 3696 1 7 . 1 1 39 39 LEU H H 39 8.173 8.173 7.813 0.360 17991 3697 1 7 . 1 1 40 40 SER N N 40 113.806 113.806 112.607 1.199 17991 3698 1 7 . 1 1 40 40 SER HA H 40 4.312 4.312 4.171 0.141 17991 3699 1 7 . 1 1 40 40 SER CA C 40 60.406 60.406 60.815 -0.409 17991 3700 1 7 . 1 1 40 40 SER CB C 40 63.646 63.646 63.184 0.462 17991 3701 1 7 . 1 1 40 40 SER H H 40 8.031 8.031 7.748 0.283 17991 3702 1 7 . 1 1 41 41 GLN N N 41 120.139 120.139 117.942 2.197 17991 3703 1 7 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.155 0.241 17991 3704 1 7 . 1 1 41 41 GLN CA C 41 56.601 56.601 58.049 -1.448 17991 3705 1 7 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.044 0.341 17991 3706 1 7 . 1 1 41 41 GLN H H 41 7.956 7.956 7.897 0.059 17991 3707 1 7 . 1 1 42 42 GLU N N 42 119.728 119.728 113.781 5.947 17991 3708 1 7 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.300 0.073 17991 3709 1 7 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.588 0.501 17991 3710 1 7 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.733 -1.379 17991 3711 1 7 . 1 1 42 42 GLU H H 42 8.114 8.114 7.477 0.637 17991 3712 1 7 . 1 1 43 43 GLY N N 43 108.655 108.655 109.624 -0.969 17991 3713 1 7 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.179 -0.556 17991 3714 1 7 . 1 1 43 43 GLY H H 43 8.325 8.325 8.018 0.307 17991 3715 1 7 . 1 1 44 44 GLY N N 44 107.872 107.872 106.174 1.698 17991 3716 1 7 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.552 1.935 17991 3717 1 7 . 1 1 44 44 GLY H H 44 8.105 8.105 7.759 0.346 17991 3718 1 7 . 1 1 48 48 GLY CA C 48 45.395 45.395 44.015 1.380 17991 3719 1 7 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.475 -0.006 17991 3720 1 7 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.405 1.025 17991 3721 1 7 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.913 0.408 17991 3722 1 7 . 1 1 50 50 LEU N N 50 116.864 116.864 118.148 -1.284 17991 3723 1 7 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.228 -0.026 17991 3724 1 7 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.404 0.145 17991 3725 1 7 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.556 0.143 17991 3726 1 7 . 1 1 50 50 LEU H H 50 8.336 8.336 8.029 0.307 17991 3727 1 7 . 1 1 51 51 TYR N N 51 118.433 118.433 120.930 -2.497 17991 3728 1 7 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.226 -0.061 17991 3729 1 7 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.594 0.440 17991 3730 1 7 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.598 -0.114 17991 3731 1 7 . 1 1 51 51 TYR H H 51 7.765 7.765 7.813 -0.048 17991 3732 1 7 . 1 1 52 52 PHE N N 52 117.945 117.945 120.050 -2.105 17991 3733 1 7 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.769 0.491 17991 3734 1 7 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.227 0.024 17991 3735 1 7 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.012 0.307 17991 3736 1 7 . 1 1 52 52 PHE H H 52 7.873 7.873 7.682 0.191 17991 3737 1 7 . 1 1 53 53 VAL N N 53 117.468 117.468 118.814 -1.346 17991 3738 1 7 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.369 0.283 17991 3739 1 7 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.194 1.104 17991 3740 1 7 . 1 1 53 53 VAL CB C 53 31.810 31.810 32.255 -0.445 17991 3741 1 7 . 1 1 53 53 VAL H H 53 7.864 7.864 7.499 0.365 17991 3742 1 7 . 1 1 54 54 VAL N N 54 116.929 116.929 120.542 -3.613 17991 3743 1 7 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.634 0.068 17991 3744 1 7 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.373 -0.306 17991 3745 1 7 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.717 0.084 17991 3746 1 7 . 1 1 54 54 VAL H H 54 7.958 7.958 7.738 0.220 17991 3747 1 7 . 1 1 55 55 ASN N N 55 115.543 115.543 116.496 -0.953 17991 3748 1 7 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.552 0.078 17991 3749 1 7 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.173 0.287 17991 3750 1 7 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.675 1.254 17991 3751 1 7 . 1 1 55 55 ASN H H 55 7.823 7.823 7.838 -0.015 17991 3752 1 7 . 1 1 56 56 VAL N N 56 116.125 116.125 117.604 -1.479 17991 3753 1 7 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.701 0.396 17991 3754 1 7 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.479 -0.340 17991 3755 1 7 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.242 -0.239 17991 3756 1 7 . 1 1 56 56 VAL H H 56 7.664 7.664 7.090 0.574 17991 3757 1 7 . 1 1 57 57 ILE N N 57 116.872 116.872 118.431 -1.559 17991 3758 1 7 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.789 0.220 17991 3759 1 7 . 1 1 57 57 ILE CA C 57 63.550 63.550 63.071 0.479 17991 3760 1 7 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.620 1.143 17991 3761 1 7 . 1 1 57 57 ILE H H 57 7.587 7.587 7.840 -0.253 17991 3762 1 7 . 1 1 58 58 GLU N N 58 118.190 118.190 120.435 -2.245 17991 3763 1 7 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.125 0.074 17991 3764 1 7 . 1 1 58 58 GLU CA C 58 60.305 60.305 62.024 -1.719 17991 3765 1 7 . 1 1 58 58 GLU H H 58 8.114 8.114 7.771 0.343 17991 3766 1 7 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.351 0.158 17991 3767 1 7 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.886 0.675 17991 3768 1 7 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.271 0.195 17991 3769 1 7 . 1 1 60 60 CYS N N 60 115.035 115.035 118.055 -3.020 17991 3770 1 7 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.091 0.177 17991 3771 1 7 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.379 -1.266 17991 3772 1 7 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.818 -0.828 17991 3773 1 7 . 1 1 60 60 CYS H H 60 7.913 7.913 7.586 0.327 17991 3774 1 7 . 1 1 61 61 LYS N N 61 121.184 121.184 120.311 0.873 17991 3775 1 7 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.003 0.269 17991 3776 1 7 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.711 -0.622 17991 3777 1 7 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.034 0.394 17991 3778 1 7 . 1 1 61 61 LYS H H 61 8.197 8.197 7.983 0.214 17991 3779 1 7 . 1 1 62 62 LYS N N 62 118.253 118.253 118.367 -0.114 17991 3780 1 7 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.977 -1.133 17991 3781 1 7 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.221 -0.131 17991 3782 1 7 . 1 1 62 62 LYS H H 62 7.982 7.982 7.944 0.038 17991 3783 1 7 . 1 1 63 63 PHE N N 63 118.763 118.763 116.720 2.043 17991 3784 1 7 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.468 -0.213 17991 3785 1 7 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.423 1.111 17991 3786 1 7 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.306 -0.156 17991 3787 1 7 . 1 1 63 63 PHE H H 63 8.155 8.155 7.623 0.532 17991 3788 1 7 . 1 1 64 64 SER N N 64 114.881 114.881 117.458 -2.577 17991 3789 1 7 . 1 1 64 64 SER HA H 64 4.268 4.268 3.838 0.430 17991 3790 1 7 . 1 1 64 64 SER CA C 64 61.588 61.588 61.331 0.257 17991 3791 1 7 . 1 1 64 64 SER CB C 64 63.175 63.175 62.825 0.350 17991 3792 1 7 . 1 1 64 64 SER H H 64 8.218 8.218 8.057 0.161 17991 3793 1 7 . 1 1 65 65 GLU N N 65 120.937 120.937 120.739 0.198 17991 3794 1 7 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.043 0.241 17991 3795 1 7 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.723 -0.512 17991 3796 1 7 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.556 -0.594 17991 3797 1 7 . 1 1 65 65 GLU H H 65 8.067 8.067 7.759 0.308 17991 3798 1 7 . 1 1 66 66 LEU N N 66 118.904 118.904 118.396 0.508 17991 3799 1 7 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.071 0.193 17991 3800 1 7 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.023 0.199 17991 3801 1 7 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.612 0.713 17991 3802 1 7 . 1 1 66 66 LEU H H 66 8.003 8.003 7.762 0.241 17991 3803 1 7 . 1 1 67 67 THR N N 67 108.190 108.190 112.885 -4.695 17991 3804 1 7 . 1 1 67 67 THR HA H 67 4.043 4.043 3.956 0.087 17991 3805 1 7 . 1 1 67 67 THR CA C 67 64.579 64.579 65.377 -0.798 17991 3806 1 7 . 1 1 67 67 THR CB C 67 69.410 69.410 68.348 1.062 17991 3807 1 7 . 1 1 67 67 THR H H 67 7.783 7.783 7.252 0.531 17991 3808 1 7 . 1 1 68 68 GLY N N 68 108.141 108.141 107.547 0.594 17991 3809 1 7 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.364 0.880 17991 3810 1 7 . 1 1 68 68 GLY H H 68 7.964 7.964 7.483 0.481 17991 3811 1 7 . 1 1 69 69 LEU N N 69 120.124 120.124 121.085 -0.961 17991 3812 1 7 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.650 -0.298 17991 3813 1 7 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.885 0.601 17991 3814 1 7 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.715 -0.341 17991 3815 1 7 . 1 1 69 69 LEU H H 69 7.749 7.749 7.530 0.219 17991 3816 1 7 . 1 1 70 70 VAL N N 70 115.546 115.546 118.309 -2.763 17991 3817 1 7 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.933 0.002 17991 3818 1 7 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.745 -1.115 17991 3819 1 7 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.284 -0.020 17991 3820 1 7 . 1 1 70 70 VAL H H 70 7.607 7.607 7.566 0.041 17991 3821 1 7 . 1 1 71 71 PHE N N 71 119.035 119.035 115.834 3.201 17991 3822 1 7 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.493 0.065 17991 3823 1 7 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.955 -0.408 17991 3824 1 7 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.080 -0.780 17991 3825 1 7 . 1 1 71 71 PHE H H 71 7.618 7.618 7.866 -0.248 17991 3826 1 7 . 1 1 72 72 TYR N N 72 118.365 118.365 119.152 -0.787 17991 3827 1 7 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.557 0.022 17991 3828 1 7 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.216 -1.119 17991 3829 1 7 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.184 -1.940 17991 3830 1 7 . 1 1 72 72 TYR H H 72 7.740 7.740 7.565 0.175 17991 3831 1 7 . 1 1 73 73 LEU N N 73 121.184 121.184 121.940 -0.756 17991 3832 1 7 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.716 -0.141 17991 3833 1 7 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.767 1.782 17991 3834 1 7 . 1 1 73 73 LEU CB C 73 42.081 42.081 44.302 -2.221 17991 3835 1 7 . 1 1 73 73 LEU H H 73 7.713 7.713 7.609 0.104 17991 3836 1 7 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.702 -0.064 17991 3837 1 7 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.333 0.871 17991 3838 1 7 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.539 -0.858 17991 3839 1 7 . 1 1 75 75 THR N N 75 113.231 113.231 115.987 -2.756 17991 3840 1 7 . 1 1 75 75 THR HA H 75 4.339 4.339 4.060 0.279 17991 3841 1 7 . 1 1 75 75 THR CA C 75 62.684 62.684 64.471 -1.787 17991 3842 1 7 . 1 1 75 75 THR H H 75 8.217 8.217 8.482 -0.265 17991 3843 1 7 . 1 1 76 76 ASP N N 76 120.892 120.892 115.885 5.007 17991 3844 1 7 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.671 0.119 17991 3845 1 7 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.432 0.807 17991 3846 1 7 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.631 -1.316 17991 3847 1 7 . 1 1 76 76 ASP H H 76 8.406 8.406 7.519 0.886 17991 3848 1 7 . 1 1 77 77 SER N N 77 115.861 115.861 114.201 1.660 17991 3849 1 7 . 1 1 77 77 SER HA H 77 4.345 4.345 4.236 0.109 17991 3850 1 7 . 1 1 77 77 SER CA C 77 60.528 60.528 60.311 0.217 17991 3851 1 7 . 1 1 77 77 SER CB C 77 63.812 63.812 63.633 0.179 17991 3852 1 7 . 1 1 77 77 SER H H 77 8.238 8.238 8.564 -0.326 17991 3853 1 7 . 1 1 78 78 GLY N N 78 110.440 110.440 106.872 3.568 17991 3854 1 7 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.163 1.490 17991 3855 1 7 . 1 1 78 78 GLY H H 78 8.570 8.570 7.748 0.822 17991 3856 1 7 . 1 1 79 79 GLU N N 79 121.242 121.242 121.370 -0.128 17991 3857 1 7 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.324 -0.004 17991 3858 1 7 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.751 -0.732 17991 3859 1 7 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.718 -0.636 17991 3860 1 7 . 1 1 79 79 GLU H H 79 8.237 8.237 8.399 -0.162 17991 3861 1 7 . 1 1 80 80 LYS N N 80 119.708 119.708 118.725 0.983 17991 3862 1 7 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.199 0.120 17991 3863 1 7 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.401 -0.520 17991 3864 1 7 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.182 0.564 17991 3865 1 7 . 1 1 80 80 LYS H H 80 8.252 8.252 8.332 -0.080 17991 3866 1 7 . 1 1 81 81 MET N N 81 119.849 119.849 117.081 2.768 17991 3867 1 7 . 1 1 81 81 MET HA H 81 4.367 4.367 4.361 0.006 17991 3868 1 7 . 1 1 81 81 MET CA C 81 57.845 57.845 59.399 -1.554 17991 3869 1 7 . 1 1 81 81 MET CB C 81 32.658 32.658 32.260 0.398 17991 3870 1 7 . 1 1 81 81 MET H H 81 8.419 8.419 8.016 0.403 17991 3871 1 7 . 1 1 82 82 THR N N 82 114.947 114.947 113.903 1.044 17991 3872 1 7 . 1 1 82 82 THR HA H 82 4.132 4.132 3.948 0.184 17991 3873 1 7 . 1 1 82 82 THR CA C 82 65.377 65.377 66.727 -1.350 17991 3874 1 7 . 1 1 82 82 THR CB C 82 69.035 69.035 68.456 0.579 17991 3875 1 7 . 1 1 82 82 THR H H 82 8.115 8.115 7.775 0.340 17991 3876 1 7 . 1 1 83 83 GLU N N 83 121.416 121.416 119.053 2.363 17991 3877 1 7 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.271 0.102 17991 3878 1 7 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.556 -0.492 17991 3879 1 7 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.790 -0.848 17991 3880 1 7 . 1 1 83 83 GLU H H 83 8.336 8.336 7.931 0.405 17991 3881 1 7 . 1 1 84 84 SER N N 84 115.783 115.783 114.277 1.506 17991 3882 1 7 . 1 1 84 84 SER HA H 84 4.278 4.278 4.615 -0.337 17991 3883 1 7 . 1 1 84 84 SER CA C 84 61.685 61.685 60.847 0.838 17991 3884 1 7 . 1 1 84 84 SER H H 84 8.191 8.191 7.928 0.263 17991 3885 1 7 . 1 1 85 85 LYS N N 85 121.318 121.318 121.476 -0.158 17991 3886 1 7 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.261 -0.176 17991 3887 1 7 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.600 1.188 17991 3888 1 7 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.870 -0.440 17991 3889 1 7 . 1 1 85 85 LYS H H 85 8.113 8.113 8.448 -0.335 17991 3890 1 7 . 1 1 86 86 SER N N 86 115.042 115.042 115.456 -0.414 17991 3891 1 7 . 1 1 86 86 SER HA H 86 4.389 4.389 4.221 0.168 17991 3892 1 7 . 1 1 86 86 SER CA C 86 61.437 61.437 61.623 -0.186 17991 3893 1 7 . 1 1 86 86 SER CB C 86 63.116 63.116 63.041 0.075 17991 3894 1 7 . 1 1 86 86 SER H H 86 8.066 8.066 7.793 0.273 17991 3895 1 7 . 1 1 87 87 VAL N N 87 122.920 122.920 120.198 2.722 17991 3896 1 7 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.812 0.568 17991 3897 1 7 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.820 1.303 17991 3898 1 7 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.770 -0.391 17991 3899 1 7 . 1 1 87 87 VAL H H 87 8.103 8.103 7.784 0.319 17991 3900 1 7 . 1 1 88 88 LEU N N 88 119.501 119.501 120.289 -0.788 17991 3901 1 7 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.859 0.263 17991 3902 1 7 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.703 0.203 17991 3903 1 7 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.047 0.897 17991 3904 1 7 . 1 1 88 88 LEU H H 88 8.146 8.146 7.619 0.527 17991 3905 1 7 . 1 1 89 89 LYS N N 89 120.285 120.285 118.081 2.204 17991 3906 1 7 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.130 -0.035 17991 3907 1 7 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.552 1.335 17991 3908 1 7 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.117 0.109 17991 3909 1 7 . 1 1 89 89 LYS H H 89 8.245 8.245 7.547 0.698 17991 3910 1 7 . 1 1 90 90 SER N N 90 115.131 115.131 113.854 1.277 17991 3911 1 7 . 1 1 90 90 SER HA H 90 4.362 4.362 4.346 0.016 17991 3912 1 7 . 1 1 90 90 SER CA C 90 61.815 61.815 60.398 1.417 17991 3913 1 7 . 1 1 90 90 SER H H 90 8.037 8.037 7.533 0.504 17991 3914 1 7 . 1 1 91 91 LEU N N 91 120.855 120.855 122.030 -1.175 17991 3915 1 7 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.136 0.012 17991 3916 1 7 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.584 0.829 17991 3917 1 7 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.699 0.476 17991 3918 1 7 . 1 1 91 91 LEU H H 91 8.445 8.445 7.698 0.747 17991 3919 1 7 . 1 1 92 92 THR N N 92 112.933 112.933 115.239 -2.306 17991 3920 1 7 . 1 1 92 92 THR HA H 92 3.904 3.904 3.855 0.049 17991 3921 1 7 . 1 1 92 92 THR CA C 92 67.390 67.390 66.718 0.672 17991 3922 1 7 . 1 1 92 92 THR CB C 92 69.367 69.367 68.175 1.192 17991 3923 1 7 . 1 1 92 92 THR H H 92 8.383 8.383 7.578 0.805 17991 3924 1 7 . 1 1 93 93 GLU N N 93 120.387 120.387 120.266 0.121 17991 3925 1 7 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.437 0.050 17991 3926 1 7 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.454 -0.309 17991 3927 1 7 . 1 1 93 93 GLU H H 93 7.971 7.971 8.296 -0.325 17991 3928 1 7 . 1 1 94 94 LYS N N 94 118.470 118.470 118.951 -0.481 17991 3929 1 7 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.208 -0.042 17991 3930 1 7 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.978 1.068 17991 3931 1 7 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.423 -0.076 17991 3932 1 7 . 1 1 94 94 LYS H H 94 7.804 7.804 7.967 -0.163 17991 3933 1 7 . 1 1 95 95 LEU N N 95 118.397 118.397 120.546 -2.149 17991 3934 1 7 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.234 -0.075 17991 3935 1 7 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.090 0.787 17991 3936 1 7 . 1 1 95 95 LEU CB C 95 41.949 41.949 41.898 0.051 17991 3937 1 7 . 1 1 95 95 LEU H H 95 8.256 8.256 8.053 0.203 17991 3938 1 7 . 1 1 96 96 LYS N N 96 117.747 117.747 118.848 -1.101 17991 3939 1 7 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.971 -0.031 17991 3940 1 7 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.561 0.721 17991 3941 1 7 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.752 0.597 17991 3942 1 7 . 1 1 96 96 LYS H H 96 8.105 8.105 8.385 -0.280 17991 3943 1 7 . 1 1 97 97 LYS N N 97 116.451 116.451 119.254 -2.803 17991 3944 1 7 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.222 -0.055 17991 3945 1 7 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.052 1.491 17991 3946 1 7 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.819 0.332 17991 3947 1 7 . 1 1 97 97 LYS H H 97 7.520 7.520 7.749 -0.229 17991 3948 1 7 . 1 1 98 98 ILE N N 98 117.587 117.587 123.115 -5.528 17991 3949 1 7 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.872 0.058 17991 3950 1 7 . 1 1 98 98 ILE CA C 98 64.299 64.299 64.248 0.051 17991 3951 1 7 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.185 -0.436 17991 3952 1 7 . 1 1 98 98 ILE H H 98 7.782 7.782 8.535 -0.753 17991 3953 1 7 . 1 1 99 99 VAL N N 99 116.989 116.989 120.309 -3.320 17991 3954 1 7 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.675 0.150 17991 3955 1 7 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.205 0.758 17991 3956 1 7 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.742 -0.260 17991 3957 1 7 . 1 1 99 99 VAL H H 99 7.917 7.917 7.542 0.375 17991 3958 1 7 . 1 1 100 100 GLU N N 100 116.782 116.782 119.408 -2.626 17991 3959 1 7 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.190 0.023 17991 3960 1 7 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.095 -0.121 17991 3961 1 7 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.384 -1.462 17991 3962 1 7 . 1 1 100 100 GLU H H 100 7.702 7.702 8.255 -0.553 17991 3963 1 7 . 1 1 101 101 LEU N N 101 118.218 118.218 118.803 -0.585 17991 3964 1 7 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.375 -0.220 17991 3965 1 7 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.355 -0.619 17991 3966 1 7 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.531 -1.492 17991 3967 1 7 . 1 1 101 101 LEU H H 101 7.751 7.751 7.724 0.027 17991 3968 1 7 . 1 1 102 102 ILE N N 102 119.412 119.412 116.921 2.491 17991 3969 1 7 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.428 -0.701 17991 3970 1 7 . 1 1 102 102 ILE CA C 102 61.809 61.809 59.088 2.721 17991 3971 1 7 . 1 1 102 102 ILE H H 102 7.559 7.559 8.434 -0.875 17991 3972 1 7 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.487 0.100 17991 3973 1 7 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.350 -0.061 17991 3974 1 7 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.915 -0.029 17991 3975 1 7 . 1 1 104 104 SER N N 104 112.794 112.794 113.675 -0.881 17991 3976 1 7 . 1 1 104 104 SER HA H 104 4.571 4.571 4.269 0.302 17991 3977 1 7 . 1 1 104 104 SER CA C 104 59.286 59.286 59.911 -0.625 17991 3978 1 7 . 1 1 104 104 SER CB C 104 63.849 63.849 62.605 1.244 17991 3979 1 7 . 1 1 104 104 SER H H 104 8.100 8.100 8.500 -0.400 17991 3980 1 7 . 1 1 105 105 THR N N 105 114.655 114.655 113.065 1.590 17991 3981 1 7 . 1 1 105 105 THR HA H 105 4.318 4.318 4.210 0.108 17991 3982 1 7 . 1 1 105 105 THR CA C 105 64.056 64.056 64.250 -0.194 17991 3983 1 7 . 1 1 105 105 THR CB C 105 69.861 69.861 68.424 1.437 17991 3984 1 7 . 1 1 105 105 THR H H 105 8.186 8.186 7.620 0.566 17991 3985 1 7 . 1 1 106 106 SER N N 106 116.165 116.165 116.985 -0.820 17991 3986 1 7 . 1 1 106 106 SER HA H 106 4.344 4.344 4.203 0.141 17991 3987 1 7 . 1 1 106 106 SER CA C 106 60.864 60.864 60.939 -0.075 17991 3988 1 7 . 1 1 106 106 SER CB C 106 63.462 63.462 63.009 0.453 17991 3989 1 7 . 1 1 106 106 SER H H 106 8.200 8.200 7.859 0.341 17991 3990 1 7 . 1 1 107 107 SER N N 107 116.732 116.732 116.718 0.014 17991 3991 1 7 . 1 1 107 107 SER HA H 107 4.413 4.413 4.318 0.095 17991 3992 1 7 . 1 1 107 107 SER CA C 107 60.051 60.051 60.958 -0.907 17991 3993 1 7 . 1 1 107 107 SER CB C 107 63.921 63.921 63.471 0.450 17991 3994 1 7 . 1 1 107 107 SER H H 107 8.114 8.114 7.675 0.439 17991 3995 1 7 . 1 1 108 108 ALA N N 108 122.523 122.523 123.079 -0.556 17991 3996 1 7 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.390 0.044 17991 3997 1 7 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.487 -0.005 17991 3998 1 7 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.829 0.502 17991 3999 1 7 . 1 1 108 108 ALA H H 108 8.022 8.022 7.659 0.363 17991 4000 1 7 . 1 1 109 109 VAL N N 109 117.146 117.146 121.362 -4.216 17991 4001 1 7 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.728 0.060 17991 4002 1 7 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.535 -1.700 17991 4003 1 7 . 1 1 109 109 VAL H H 109 7.829 7.829 8.383 -0.554 17991 4004 1 7 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.332 0.148 17991 4005 1 7 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.994 0.451 17991 4006 1 7 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.148 0.230 17991 4007 1 7 . 1 1 111 111 LEU N N 111 117.393 117.393 118.677 -1.284 17991 4008 1 7 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.244 -0.031 17991 4009 1 7 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.612 1.170 17991 4010 1 7 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.036 0.412 17991 4011 1 7 . 1 1 111 111 LEU H H 111 7.538 7.538 7.602 -0.064 17991 4012 1 7 . 1 1 112 112 ILE N N 112 117.001 117.001 118.912 -1.911 17991 4013 1 7 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.840 0.161 17991 4014 1 7 . 1 1 112 112 ILE CA C 112 64.626 64.626 62.375 2.251 17991 4015 1 7 . 1 1 112 112 ILE H H 112 8.118 8.118 8.662 -0.544 17991 4016 1 7 . 1 1 113 113 GLY N N 113 106.840 106.840 109.038 -2.198 17991 4017 1 7 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.383 0.390 17991 4018 1 7 . 1 1 113 113 GLY H H 113 8.409 8.409 8.536 -0.127 17991 4019 1 7 . 1 1 114 114 LYS N N 114 120.736 120.736 121.184 -0.448 17991 4020 1 7 . 1 1 114 114 LYS HA H 114 4.120 4.120 4.029 0.091 17991 4021 1 7 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.971 0.167 17991 4022 1 7 . 1 1 114 114 LYS H H 114 7.847 7.847 7.703 0.144 17991 4023 1 7 . 1 1 115 115 TYR N N 115 117.055 117.055 117.637 -0.582 17991 4024 1 7 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.599 -0.327 17991 4025 1 7 . 1 1 115 115 TYR CA C 115 60.430 60.430 58.385 2.045 17991 4026 1 7 . 1 1 115 115 TYR H H 115 7.891 7.891 7.598 0.293 17991 4027 1 7 . 1 1 116 116 MET H H 116 8.170 8.170 7.930 0.240 17991 4028 1 7 . 1 1 117 117 LEU N N 117 117.768 117.768 118.036 -0.268 17991 4029 1 7 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.010 -0.101 17991 4030 1 7 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.189 1.405 17991 4031 1 7 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.696 -0.360 17991 4032 1 7 . 1 1 117 117 LEU H H 117 7.781 7.781 7.662 0.119 17991 4033 1 7 . 1 1 118 118 PHE N N 118 118.204 118.204 120.042 -1.838 17991 4034 1 7 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.240 0.188 17991 4035 1 7 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.676 -0.941 17991 4036 1 7 . 1 1 118 118 PHE H H 118 8.024 8.024 7.793 0.231 17991 4037 1 7 . 1 1 119 119 THR N N 119 114.941 114.941 115.745 -0.804 17991 4038 1 7 . 1 1 119 119 THR HA H 119 3.972 3.972 3.962 0.010 17991 4039 1 7 . 1 1 119 119 THR CA C 119 67.518 67.518 67.485 0.033 17991 4040 1 7 . 1 1 119 119 THR CB C 119 69.194 69.194 68.540 0.654 17991 4041 1 7 . 1 1 119 119 THR H H 119 8.171 8.171 7.989 0.182 17991 4042 1 7 . 1 1 120 120 LYS N N 120 121.758 121.758 120.776 0.982 17991 4043 1 7 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.003 -0.023 17991 4044 1 7 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.653 1.157 17991 4045 1 7 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.132 0.383 17991 4046 1 7 . 1 1 120 120 LYS H H 120 8.359 8.359 7.582 0.777 17991 4047 1 7 . 1 1 121 121 GLU N N 121 117.504 117.504 119.564 -2.060 17991 4048 1 7 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.095 0.119 17991 4049 1 7 . 1 1 121 121 GLU CA C 121 59.240 59.240 59.059 0.182 17991 4050 1 7 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.874 -1.491 17991 4051 1 7 . 1 1 121 121 GLU H H 121 8.222 8.222 8.114 0.108 17991 4052 1 7 . 1 1 122 122 PHE N N 122 121.586 121.586 121.644 -0.058 17991 4053 1 7 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.289 0.005 17991 4054 1 7 . 1 1 122 122 PHE CA C 122 61.574 61.574 61.202 0.372 17991 4055 1 7 . 1 1 122 122 PHE CB C 122 39.359 39.359 39.324 0.035 17991 4056 1 7 . 1 1 122 122 PHE H H 122 8.562 8.562 8.719 -0.157 17991 4057 1 7 . 1 1 123 123 VAL N N 123 121.558 121.558 120.039 1.519 17991 4058 1 7 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.697 -0.181 17991 4059 1 7 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.277 1.331 17991 4060 1 7 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.619 0.842 17991 4061 1 7 . 1 1 123 123 VAL H H 123 8.784 8.784 7.890 0.894 17991 4062 1 7 . 1 1 124 124 GLU N N 124 118.314 118.314 120.845 -2.531 17991 4063 1 7 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.990 0.052 17991 4064 1 7 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.237 0.970 17991 4065 1 7 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.263 -0.838 17991 4066 1 7 . 1 1 124 124 GLU H H 124 8.564 8.564 8.160 0.404 17991 4067 1 7 . 1 1 125 125 SER N N 125 114.779 114.779 114.991 -0.212 17991 4068 1 7 . 1 1 125 125 SER HA H 125 4.265 4.265 3.987 0.278 17991 4069 1 7 . 1 1 125 125 SER CA C 125 62.342 62.342 61.314 1.028 17991 4070 1 7 . 1 1 125 125 SER CB C 125 63.162 63.162 62.566 0.596 17991 4071 1 7 . 1 1 125 125 SER H H 125 8.348 8.348 8.058 0.290 17991 4072 1 7 . 1 1 126 126 SER N N 126 118.464 118.464 118.320 0.144 17991 4073 1 7 . 1 1 126 126 SER HA H 126 4.069 4.069 4.330 -0.261 17991 4074 1 7 . 1 1 126 126 SER CA C 126 62.846 62.846 61.817 1.029 17991 4075 1 7 . 1 1 126 126 SER H H 126 8.144 8.144 7.758 0.386 17991 4076 1 7 . 1 1 127 127 ILE N N 127 124.705 124.705 118.410 6.295 17991 4077 1 7 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.076 -0.395 17991 4078 1 7 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.848 1.793 17991 4079 1 7 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.600 0.434 17991 4080 1 7 . 1 1 127 127 ILE H H 127 8.280 8.280 7.663 0.617 17991 4081 1 7 . 1 1 128 128 LYS N N 128 119.907 119.907 120.593 -0.686 17991 4082 1 7 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.346 0.539 17991 4083 1 7 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.597 -0.349 17991 4084 1 7 . 1 1 128 128 LYS H H 128 7.741 7.741 7.956 -0.215 17991 4085 1 7 . 1 1 129 129 ILE N N 129 118.807 118.807 118.101 0.706 17991 4086 1 7 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.788 0.319 17991 4087 1 7 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.453 -0.061 17991 4088 1 7 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.367 -0.317 17991 4089 1 7 . 1 1 129 129 ILE H H 129 8.215 8.215 7.890 0.325 17991 4090 1 7 . 1 1 130 130 THR N N 130 117.328 117.328 112.999 4.329 17991 4091 1 7 . 1 1 130 130 THR HA H 130 3.921 3.921 3.888 0.033 17991 4092 1 7 . 1 1 130 130 THR CA C 130 68.210 68.210 65.949 2.261 17991 4093 1 7 . 1 1 130 130 THR H H 130 7.988 7.988 8.095 -0.107 17991 4094 1 7 . 1 1 131 131 GLU N N 131 118.968 118.968 121.486 -2.518 17991 4095 1 7 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.002 -0.024 17991 4096 1 7 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.915 0.685 17991 4097 1 7 . 1 1 131 131 GLU H H 131 8.439 8.439 7.774 0.665 17991 4098 1 7 . 1 1 132 132 GLU N N 132 118.712 118.712 117.471 1.241 17991 4099 1 7 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.211 0.015 17991 4100 1 7 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.014 1.253 17991 4101 1 7 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.857 -1.238 17991 4102 1 7 . 1 1 132 132 GLU H H 132 7.987 7.987 7.584 0.403 17991 4103 1 7 . 1 1 133 133 VAL N N 133 120.060 120.060 120.286 -0.226 17991 4104 1 7 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.875 -0.008 17991 4105 1 7 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.591 1.739 17991 4106 1 7 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.407 -0.251 17991 4107 1 7 . 1 1 133 133 VAL H H 133 8.341 8.341 7.859 0.482 17991 4108 1 7 . 1 1 134 134 ILE N N 134 119.699 119.699 120.384 -0.685 17991 4109 1 7 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.026 -0.166 17991 4110 1 7 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.645 3.539 17991 4111 1 7 . 1 1 134 134 ILE CB C 134 37.902 37.902 38.021 -0.119 17991 4112 1 7 . 1 1 134 134 ILE H H 134 8.331 8.331 7.662 0.669 17991 4113 1 7 . 1 1 135 135 ASN N N 135 117.396 117.396 118.294 -0.898 17991 4114 1 7 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.662 0.013 17991 4115 1 7 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.622 -0.117 17991 4116 1 7 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.678 0.449 17991 4117 1 7 . 1 1 135 135 ASN H H 135 8.318 8.318 8.206 0.112 17991 4118 1 7 . 1 1 136 136 THR N N 136 111.419 111.419 113.501 -2.082 17991 4119 1 7 . 1 1 136 136 THR HA H 136 4.308 4.308 4.383 -0.075 17991 4120 1 7 . 1 1 136 136 THR CA C 136 63.872 63.872 64.946 -1.074 17991 4121 1 7 . 1 1 136 136 THR CB C 136 69.779 69.779 68.998 0.781 17991 4122 1 7 . 1 1 136 136 THR H H 136 8.006 8.006 7.697 0.309 17991 4123 1 7 . 1 1 137 137 HIS N N 137 118.612 118.612 123.961 -5.349 17991 4124 1 7 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.464 0.239 17991 4125 1 7 . 1 1 137 137 HIS CA C 137 56.460 56.460 60.125 -3.665 17991 4126 1 7 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.154 -1.442 17991 4127 1 7 . 1 1 137 137 HIS H H 137 8.013 8.013 8.197 -0.184 17991 4128 1 7 . 1 1 138 138 HIS N N 138 118.709 118.709 117.333 1.376 17991 4129 1 7 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.389 0.437 17991 4130 1 7 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.372 -2.858 17991 4131 1 7 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.293 -1.047 17991 4132 1 7 . 1 1 138 138 HIS H H 138 8.169 8.169 7.596 0.573 17991 4133 1 7 . 1 1 139 139 ARG N N 139 123.025 123.025 118.997 4.028 17991 4134 1 7 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.394 0.172 17991 4135 1 7 . 1 1 139 139 ARG CA C 139 56.394 56.394 56.411 -0.017 17991 4136 1 7 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.862 0.159 17991 4137 1 7 . 1 1 139 139 ARG H H 139 8.419 8.419 8.015 0.404 17991 4138 1 8 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.174 0.564 17991 4139 1 8 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.477 -0.701 17991 4140 1 8 . 1 1 8 8 HIS CB C 8 29.344 29.344 28.383 0.961 17991 4141 1 8 . 1 1 8 8 HIS H H 8 8.686 8.686 8.147 0.539 17991 4142 1 8 . 1 1 9 9 ALA N N 9 124.079 124.079 122.179 1.900 17991 4143 1 8 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.173 0.214 17991 4144 1 8 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.665 0.622 17991 4145 1 8 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.758 -0.583 17991 4146 1 8 . 1 1 9 9 ALA H H 9 8.457 8.457 7.975 0.482 17991 4147 1 8 . 1 1 10 10 MET N N 10 120.430 120.430 118.981 1.449 17991 4148 1 8 . 1 1 10 10 MET HA H 10 4.390 4.390 4.234 0.156 17991 4149 1 8 . 1 1 10 10 MET CA C 10 57.753 57.753 58.275 -0.522 17991 4150 1 8 . 1 1 10 10 MET CB C 10 32.355 32.355 32.902 -0.547 17991 4151 1 8 . 1 1 10 10 MET H H 10 8.545 8.545 8.358 0.187 17991 4152 1 8 . 1 1 11 11 VAL N N 11 119.159 119.159 113.372 5.787 17991 4153 1 8 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.924 0.092 17991 4154 1 8 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.913 0.358 17991 4155 1 8 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.411 0.200 17991 4156 1 8 . 1 1 11 11 VAL H H 11 8.339 8.339 7.972 0.367 17991 4157 1 8 . 1 1 12 12 ILE N N 12 119.461 119.461 119.788 -0.327 17991 4158 1 8 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.993 -0.040 17991 4159 1 8 . 1 1 12 12 ILE CA C 12 64.334 64.334 62.783 1.551 17991 4160 1 8 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.182 -0.686 17991 4161 1 8 . 1 1 12 12 ILE H H 12 7.705 7.705 7.636 0.069 17991 4162 1 8 . 1 1 13 13 ASP N N 13 119.460 119.460 119.885 -0.425 17991 4163 1 8 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.565 -0.181 17991 4164 1 8 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.149 1.375 17991 4165 1 8 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.006 -1.594 17991 4166 1 8 . 1 1 13 13 ASP H H 13 8.172 8.172 7.806 0.366 17991 4167 1 8 . 1 1 14 14 HIS N N 14 116.421 116.421 118.071 -1.650 17991 4168 1 8 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.512 0.028 17991 4169 1 8 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.577 -0.829 17991 4170 1 8 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.264 -1.612 17991 4171 1 8 . 1 1 14 14 HIS H H 14 8.138 8.138 7.995 0.143 17991 4172 1 8 . 1 1 15 15 ILE N N 15 119.970 119.970 120.391 -0.421 17991 4173 1 8 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.757 0.051 17991 4174 1 8 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.767 0.637 17991 4175 1 8 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.763 0.024 17991 4176 1 8 . 1 1 15 15 ILE H H 15 8.224 8.224 7.625 0.600 17991 4177 1 8 . 1 1 16 16 LEU N N 16 118.635 118.635 121.540 -2.905 17991 4178 1 8 . 1 1 16 16 LEU HA H 16 3.992 3.992 4.170 -0.178 17991 4179 1 8 . 1 1 16 16 LEU CA C 16 58.786 58.786 59.132 -0.346 17991 4180 1 8 . 1 1 16 16 LEU H H 16 8.480 8.480 7.726 0.754 17991 4181 1 8 . 1 1 17 17 LYS N N 17 118.257 118.257 117.305 0.952 17991 4182 1 8 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.970 0.124 17991 4183 1 8 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.202 0.680 17991 4184 1 8 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.771 0.445 17991 4185 1 8 . 1 1 17 17 LYS H H 17 8.098 8.098 7.961 0.137 17991 4186 1 8 . 1 1 18 18 CYS N N 18 117.220 117.220 118.755 -1.535 17991 4187 1 8 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.219 0.110 17991 4188 1 8 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.436 0.782 17991 4189 1 8 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.604 -0.782 17991 4190 1 8 . 1 1 18 18 CYS H H 18 7.899 7.899 7.975 -0.076 17991 4191 1 8 . 1 1 19 19 VAL N N 19 118.929 118.929 119.738 -0.809 17991 4192 1 8 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.975 -0.250 17991 4193 1 8 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.023 2.057 17991 4194 1 8 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.227 -0.170 17991 4195 1 8 . 1 1 19 19 VAL H H 19 8.352 8.352 7.575 0.777 17991 4196 1 8 . 1 1 20 20 PHE N N 20 120.244 120.244 119.321 0.923 17991 4197 1 8 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.378 -0.104 17991 4198 1 8 . 1 1 20 20 PHE CA C 20 61.626 61.626 58.857 2.769 17991 4199 1 8 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.086 -0.006 17991 4200 1 8 . 1 1 20 20 PHE H H 20 8.791 8.791 8.822 -0.031 17991 4201 1 8 . 1 1 21 21 ASP N N 21 118.761 118.761 120.109 -1.348 17991 4202 1 8 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.382 -0.019 17991 4203 1 8 . 1 1 21 21 ASP CA C 21 57.517 57.517 56.910 0.607 17991 4204 1 8 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.697 -0.629 17991 4205 1 8 . 1 1 21 21 ASP H H 21 8.705 8.705 7.835 0.870 17991 4206 1 8 . 1 1 22 22 LYS N N 22 118.200 118.200 119.008 -0.808 17991 4207 1 8 . 1 1 22 22 LYS HA H 22 4.194 4.194 3.909 0.284 17991 4208 1 8 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.205 -0.612 17991 4209 1 8 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.017 0.282 17991 4210 1 8 . 1 1 22 22 LYS H H 22 7.810 7.810 7.641 0.169 17991 4211 1 8 . 1 1 23 23 ILE N N 23 118.534 118.534 118.740 -0.206 17991 4212 1 8 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.746 0.035 17991 4213 1 8 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.939 0.157 17991 4214 1 8 . 1 1 23 23 ILE H H 23 8.351 8.351 7.930 0.421 17991 4215 1 8 . 1 1 24 24 CYS N N 24 117.155 117.155 115.134 2.021 17991 4216 1 8 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.172 -0.123 17991 4217 1 8 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.994 1.505 17991 4218 1 8 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.591 -0.965 17991 4219 1 8 . 1 1 24 24 CYS H H 24 8.203 8.203 7.789 0.414 17991 4220 1 8 . 1 1 25 25 LYS N N 25 119.995 119.995 121.676 -1.681 17991 4221 1 8 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.506 -0.744 17991 4222 1 8 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.250 0.135 17991 4223 1 8 . 1 1 25 25 LYS H H 25 7.760 7.760 7.418 0.342 17991 4224 1 8 . 1 1 26 26 ILE N N 26 119.168 119.168 117.768 1.400 17991 4225 1 8 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.958 0.016 17991 4226 1 8 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.204 1.902 17991 4227 1 8 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.041 -0.485 17991 4228 1 8 . 1 1 26 26 ILE H H 26 8.055 8.055 7.719 0.336 17991 4229 1 8 . 1 1 27 27 GLY N N 27 108.257 108.257 107.266 0.991 17991 4230 1 8 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.916 0.073 17991 4231 1 8 . 1 1 27 27 GLY H H 27 8.568 8.568 7.830 0.738 17991 4232 1 8 . 1 1 28 28 THR N N 28 112.727 112.727 116.419 -3.692 17991 4233 1 8 . 1 1 28 28 THR HA H 28 3.912 3.912 4.094 -0.182 17991 4234 1 8 . 1 1 28 28 THR CA C 28 64.717 64.717 66.228 -1.512 17991 4235 1 8 . 1 1 28 28 THR CB C 28 69.375 69.375 68.932 0.443 17991 4236 1 8 . 1 1 28 28 THR H H 28 8.059 8.059 7.386 0.673 17991 4237 1 8 . 1 1 29 29 GLU N N 29 120.068 120.068 121.304 -1.236 17991 4238 1 8 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.912 -1.308 17991 4239 1 8 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.226 -0.133 17991 4240 1 8 . 1 1 29 29 GLU H H 29 8.113 8.113 8.223 -0.110 17991 4241 1 8 . 1 1 30 30 SER N N 30 114.882 114.882 114.235 0.647 17991 4242 1 8 . 1 1 30 30 SER HA H 30 4.374 4.374 4.026 0.348 17991 4243 1 8 . 1 1 30 30 SER CA C 30 60.353 60.353 60.843 -0.490 17991 4244 1 8 . 1 1 30 30 SER H H 30 8.060 8.060 7.508 0.552 17991 4245 1 8 . 1 1 31 31 VAL N N 31 122.098 122.098 121.169 0.929 17991 4246 1 8 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.755 0.262 17991 4247 1 8 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.530 -0.903 17991 4248 1 8 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.295 0.690 17991 4249 1 8 . 1 1 31 31 VAL H H 31 8.127 8.127 7.438 0.689 17991 4250 1 8 . 1 1 32 32 GLU N N 32 120.280 120.280 120.481 -0.201 17991 4251 1 8 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.127 0.191 17991 4252 1 8 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.169 -1.282 17991 4253 1 8 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.411 -0.758 17991 4254 1 8 . 1 1 32 32 GLU H H 32 8.243 8.243 7.398 0.845 17991 4255 1 8 . 1 1 33 33 ALA N N 33 121.715 121.715 121.208 0.507 17991 4256 1 8 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.026 0.163 17991 4257 1 8 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.482 0.242 17991 4258 1 8 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.701 1.026 17991 4259 1 8 . 1 1 33 33 ALA H H 33 8.218 8.218 7.445 0.773 17991 4260 1 8 . 1 1 34 34 GLY N N 34 104.656 104.656 105.711 -1.055 17991 4261 1 8 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.537 0.537 17991 4262 1 8 . 1 1 34 34 GLY H H 34 8.308 8.308 7.879 0.429 17991 4263 1 8 . 1 1 35 35 ARG N N 35 119.958 119.958 121.732 -1.774 17991 4264 1 8 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.409 -0.133 17991 4265 1 8 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.244 1.781 17991 4266 1 8 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.883 0.406 17991 4267 1 8 . 1 1 35 35 ARG H H 35 7.975 7.975 7.517 0.458 17991 4268 1 8 . 1 1 36 36 LEU N N 36 118.931 118.931 121.205 -2.274 17991 4269 1 8 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.136 0.088 17991 4270 1 8 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.932 -0.129 17991 4271 1 8 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.847 0.346 17991 4272 1 8 . 1 1 36 36 LEU H H 36 7.958 7.958 8.612 -0.654 17991 4273 1 8 . 1 1 37 37 ILE N N 37 118.087 118.087 118.812 -0.725 17991 4274 1 8 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.768 0.163 17991 4275 1 8 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.880 -0.021 17991 4276 1 8 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.758 0.281 17991 4277 1 8 . 1 1 37 37 ILE H H 37 7.904 7.904 7.640 0.264 17991 4278 1 8 . 1 1 38 38 GLU N N 38 120.989 120.989 120.116 0.873 17991 4279 1 8 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.966 0.265 17991 4280 1 8 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.734 -1.289 17991 4281 1 8 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.502 -0.491 17991 4282 1 8 . 1 1 38 38 GLU H H 38 8.041 8.041 7.552 0.489 17991 4283 1 8 . 1 1 39 39 LEU N N 39 120.111 120.111 118.835 1.276 17991 4284 1 8 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.141 0.130 17991 4285 1 8 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.379 0.032 17991 4286 1 8 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.937 1.359 17991 4287 1 8 . 1 1 39 39 LEU H H 39 8.173 8.173 7.786 0.387 17991 4288 1 8 . 1 1 40 40 SER N N 40 113.806 113.806 113.030 0.776 17991 4289 1 8 . 1 1 40 40 SER HA H 40 4.312 4.312 4.217 0.095 17991 4290 1 8 . 1 1 40 40 SER CA C 40 60.406 60.406 60.698 -0.292 17991 4291 1 8 . 1 1 40 40 SER CB C 40 63.646 63.646 63.342 0.304 17991 4292 1 8 . 1 1 40 40 SER H H 40 8.031 8.031 7.607 0.424 17991 4293 1 8 . 1 1 41 41 GLN N N 41 120.139 120.139 119.045 1.094 17991 4294 1 8 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.217 0.179 17991 4295 1 8 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.704 -1.103 17991 4296 1 8 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.627 -0.242 17991 4297 1 8 . 1 1 41 41 GLN H H 41 7.956 7.956 7.649 0.307 17991 4298 1 8 . 1 1 42 42 GLU N N 42 119.728 119.728 116.847 2.881 17991 4299 1 8 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.445 -0.072 17991 4300 1 8 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.654 0.435 17991 4301 1 8 . 1 1 42 42 GLU CB C 42 29.355 29.355 29.854 -0.499 17991 4302 1 8 . 1 1 42 42 GLU H H 42 8.114 8.114 8.468 -0.354 17991 4303 1 8 . 1 1 43 43 GLY N N 43 108.655 108.655 106.904 1.751 17991 4304 1 8 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.382 0.242 17991 4305 1 8 . 1 1 43 43 GLY H H 43 8.325 8.325 7.569 0.756 17991 4306 1 8 . 1 1 44 44 GLY N N 44 107.872 107.872 109.175 -1.303 17991 4307 1 8 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.218 1.269 17991 4308 1 8 . 1 1 44 44 GLY H H 44 8.105 8.105 8.012 0.093 17991 4309 1 8 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.624 1.771 17991 4310 1 8 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.528 -0.059 17991 4311 1 8 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.578 0.852 17991 4312 1 8 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.964 0.357 17991 4313 1 8 . 1 1 50 50 LEU N N 50 116.864 116.864 117.912 -1.048 17991 4314 1 8 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.390 -0.188 17991 4315 1 8 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.711 1.838 17991 4316 1 8 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.166 1.533 17991 4317 1 8 . 1 1 50 50 LEU H H 50 8.336 8.336 8.162 0.174 17991 4318 1 8 . 1 1 51 51 TYR N N 51 118.433 118.433 122.135 -3.702 17991 4319 1 8 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.122 0.043 17991 4320 1 8 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.822 -0.788 17991 4321 1 8 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.324 0.160 17991 4322 1 8 . 1 1 51 51 TYR H H 51 7.765 7.765 7.745 0.020 17991 4323 1 8 . 1 1 52 52 PHE N N 52 117.945 117.945 119.768 -1.823 17991 4324 1 8 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.828 0.432 17991 4325 1 8 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.142 0.109 17991 4326 1 8 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.029 0.290 17991 4327 1 8 . 1 1 52 52 PHE H H 52 7.873 7.873 7.959 -0.086 17991 4328 1 8 . 1 1 53 53 VAL N N 53 117.468 117.468 118.429 -0.961 17991 4329 1 8 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.062 0.590 17991 4330 1 8 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.906 0.392 17991 4331 1 8 . 1 1 53 53 VAL CB C 53 31.810 31.810 30.888 0.922 17991 4332 1 8 . 1 1 53 53 VAL H H 53 7.864 7.864 7.408 0.456 17991 4333 1 8 . 1 1 54 54 VAL N N 54 116.929 116.929 120.882 -3.953 17991 4334 1 8 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.638 0.064 17991 4335 1 8 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.363 -0.296 17991 4336 1 8 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.537 0.265 17991 4337 1 8 . 1 1 54 54 VAL H H 54 7.958 7.958 8.159 -0.201 17991 4338 1 8 . 1 1 55 55 ASN N N 55 115.543 115.543 118.009 -2.466 17991 4339 1 8 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.440 0.190 17991 4340 1 8 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.579 -0.119 17991 4341 1 8 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.816 1.113 17991 4342 1 8 . 1 1 55 55 ASN H H 55 7.823 7.823 7.899 -0.076 17991 4343 1 8 . 1 1 56 56 VAL N N 56 116.125 116.125 119.810 -3.685 17991 4344 1 8 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.758 0.339 17991 4345 1 8 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.869 -0.730 17991 4346 1 8 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.875 0.127 17991 4347 1 8 . 1 1 56 56 VAL H H 56 7.664 7.664 7.532 0.132 17991 4348 1 8 . 1 1 57 57 ILE N N 57 116.872 116.872 118.615 -1.743 17991 4349 1 8 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.771 0.238 17991 4350 1 8 . 1 1 57 57 ILE CA C 57 63.550 63.550 63.229 0.321 17991 4351 1 8 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.615 1.148 17991 4352 1 8 . 1 1 57 57 ILE H H 57 7.587 7.587 8.059 -0.472 17991 4353 1 8 . 1 1 58 58 GLU N N 58 118.190 118.190 120.427 -2.237 17991 4354 1 8 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.115 0.084 17991 4355 1 8 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.545 -1.240 17991 4356 1 8 . 1 1 58 58 GLU H H 58 8.114 8.114 7.608 0.506 17991 4357 1 8 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.348 0.161 17991 4358 1 8 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.824 0.738 17991 4359 1 8 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.247 0.219 17991 4360 1 8 . 1 1 60 60 CYS N N 60 115.035 115.035 117.936 -2.901 17991 4361 1 8 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.142 0.126 17991 4362 1 8 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.144 -1.031 17991 4363 1 8 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.875 -0.885 17991 4364 1 8 . 1 1 60 60 CYS H H 60 7.913 7.913 7.543 0.370 17991 4365 1 8 . 1 1 61 61 LYS N N 61 121.184 121.184 120.470 0.714 17991 4366 1 8 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.981 0.291 17991 4367 1 8 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.635 -0.546 17991 4368 1 8 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.243 0.185 17991 4369 1 8 . 1 1 61 61 LYS H H 61 8.197 8.197 7.923 0.274 17991 4370 1 8 . 1 1 62 62 LYS N N 62 118.253 118.253 118.531 -0.278 17991 4371 1 8 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.018 -1.174 17991 4372 1 8 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.336 -0.246 17991 4373 1 8 . 1 1 62 62 LYS H H 62 7.982 7.982 7.987 -0.005 17991 4374 1 8 . 1 1 63 63 PHE N N 63 118.763 118.763 118.765 -0.002 17991 4375 1 8 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.486 -0.231 17991 4376 1 8 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.505 1.029 17991 4377 1 8 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.344 -0.194 17991 4378 1 8 . 1 1 63 63 PHE H H 63 8.155 8.155 7.627 0.528 17991 4379 1 8 . 1 1 64 64 SER N N 64 114.881 114.881 116.893 -2.012 17991 4380 1 8 . 1 1 64 64 SER HA H 64 4.268 4.268 3.765 0.503 17991 4381 1 8 . 1 1 64 64 SER CA C 64 61.588 61.588 61.373 0.215 17991 4382 1 8 . 1 1 64 64 SER CB C 64 63.175 63.175 62.790 0.385 17991 4383 1 8 . 1 1 64 64 SER H H 64 8.218 8.218 8.075 0.143 17991 4384 1 8 . 1 1 65 65 GLU N N 65 120.937 120.937 120.707 0.230 17991 4385 1 8 . 1 1 65 65 GLU HA H 65 4.284 4.284 3.956 0.328 17991 4386 1 8 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.646 -0.435 17991 4387 1 8 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.315 -0.353 17991 4388 1 8 . 1 1 65 65 GLU H H 65 8.067 8.067 7.731 0.336 17991 4389 1 8 . 1 1 66 66 LEU N N 66 118.904 118.904 118.080 0.824 17991 4390 1 8 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.094 0.169 17991 4391 1 8 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.947 -0.724 17991 4392 1 8 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.389 0.936 17991 4393 1 8 . 1 1 66 66 LEU H H 66 8.003 8.003 8.039 -0.036 17991 4394 1 8 . 1 1 67 67 THR N N 67 108.190 108.190 109.872 -1.682 17991 4395 1 8 . 1 1 67 67 THR HA H 67 4.043 4.043 4.166 -0.123 17991 4396 1 8 . 1 1 67 67 THR CA C 67 64.579 64.579 65.040 -0.461 17991 4397 1 8 . 1 1 67 67 THR CB C 67 69.410 69.410 67.929 1.481 17991 4398 1 8 . 1 1 67 67 THR H H 67 7.783 7.783 7.190 0.593 17991 4399 1 8 . 1 1 68 68 GLY N N 68 108.141 108.141 109.028 -0.887 17991 4400 1 8 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.238 1.006 17991 4401 1 8 . 1 1 68 68 GLY H H 68 7.964 7.964 7.531 0.433 17991 4402 1 8 . 1 1 69 69 LEU N N 69 120.124 120.124 121.052 -0.928 17991 4403 1 8 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.726 -0.374 17991 4404 1 8 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.925 0.561 17991 4405 1 8 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.507 -0.133 17991 4406 1 8 . 1 1 69 69 LEU H H 69 7.749 7.749 7.532 0.217 17991 4407 1 8 . 1 1 70 70 VAL N N 70 115.546 115.546 118.458 -2.912 17991 4408 1 8 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.945 -0.010 17991 4409 1 8 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.897 -1.267 17991 4410 1 8 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.217 0.047 17991 4411 1 8 . 1 1 70 70 VAL H H 70 7.607 7.607 7.665 -0.058 17991 4412 1 8 . 1 1 71 71 PHE N N 71 119.035 119.035 115.812 3.223 17991 4413 1 8 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.478 0.080 17991 4414 1 8 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.201 -0.654 17991 4415 1 8 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.651 -0.351 17991 4416 1 8 . 1 1 71 71 PHE H H 71 7.618 7.618 7.766 -0.148 17991 4417 1 8 . 1 1 72 72 TYR N N 72 118.365 118.365 118.912 -0.547 17991 4418 1 8 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.540 0.039 17991 4419 1 8 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.737 -0.640 17991 4420 1 8 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.892 -1.648 17991 4421 1 8 . 1 1 72 72 TYR H H 72 7.740 7.740 7.975 -0.235 17991 4422 1 8 . 1 1 73 73 LEU N N 73 121.184 121.184 119.482 1.702 17991 4423 1 8 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.747 -0.172 17991 4424 1 8 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.948 1.601 17991 4425 1 8 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.419 -1.337 17991 4426 1 8 . 1 1 73 73 LEU H H 73 7.713 7.713 7.505 0.208 17991 4427 1 8 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.625 0.013 17991 4428 1 8 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.711 0.493 17991 4429 1 8 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.344 -0.663 17991 4430 1 8 . 1 1 75 75 THR N N 75 113.231 113.231 115.965 -2.734 17991 4431 1 8 . 1 1 75 75 THR HA H 75 4.339 4.339 4.696 -0.357 17991 4432 1 8 . 1 1 75 75 THR CA C 75 62.684 62.684 62.079 0.605 17991 4433 1 8 . 1 1 75 75 THR H H 75 8.217 8.217 8.216 0.001 17991 4434 1 8 . 1 1 76 76 ASP N N 76 120.892 120.892 119.795 1.097 17991 4435 1 8 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.634 0.156 17991 4436 1 8 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.717 0.522 17991 4437 1 8 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.874 -2.559 17991 4438 1 8 . 1 1 76 76 ASP H H 76 8.406 8.406 7.641 0.765 17991 4439 1 8 . 1 1 77 77 SER N N 77 115.861 115.861 115.257 0.604 17991 4440 1 8 . 1 1 77 77 SER HA H 77 4.345 4.345 4.220 0.125 17991 4441 1 8 . 1 1 77 77 SER CA C 77 60.528 60.528 59.098 1.430 17991 4442 1 8 . 1 1 77 77 SER CB C 77 63.812 63.812 63.429 0.383 17991 4443 1 8 . 1 1 77 77 SER H H 77 8.238 8.238 8.552 -0.314 17991 4444 1 8 . 1 1 78 78 GLY N N 78 110.440 110.440 105.907 4.533 17991 4445 1 8 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.044 1.609 17991 4446 1 8 . 1 1 78 78 GLY H H 78 8.570 8.570 7.706 0.864 17991 4447 1 8 . 1 1 79 79 GLU N N 79 121.242 121.242 121.670 -0.428 17991 4448 1 8 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.069 0.251 17991 4449 1 8 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.810 -1.792 17991 4450 1 8 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.756 -0.673 17991 4451 1 8 . 1 1 79 79 GLU H H 79 8.237 8.237 8.538 -0.301 17991 4452 1 8 . 1 1 80 80 LYS N N 80 119.708 119.708 118.734 0.974 17991 4453 1 8 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.286 0.033 17991 4454 1 8 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.126 -0.245 17991 4455 1 8 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.815 0.931 17991 4456 1 8 . 1 1 80 80 LYS H H 80 8.252 8.252 8.518 -0.266 17991 4457 1 8 . 1 1 81 81 MET N N 81 119.849 119.849 118.299 1.550 17991 4458 1 8 . 1 1 81 81 MET HA H 81 4.367 4.367 4.284 0.083 17991 4459 1 8 . 1 1 81 81 MET CA C 81 57.845 57.845 59.254 -1.409 17991 4460 1 8 . 1 1 81 81 MET CB C 81 32.658 32.658 32.179 0.479 17991 4461 1 8 . 1 1 81 81 MET H H 81 8.419 8.419 7.785 0.634 17991 4462 1 8 . 1 1 82 82 THR N N 82 114.947 114.947 113.794 1.153 17991 4463 1 8 . 1 1 82 82 THR HA H 82 4.132 4.132 3.943 0.189 17991 4464 1 8 . 1 1 82 82 THR CA C 82 65.377 65.377 66.779 -1.402 17991 4465 1 8 . 1 1 82 82 THR CB C 82 69.035 69.035 68.672 0.363 17991 4466 1 8 . 1 1 82 82 THR H H 82 8.115 8.115 8.325 -0.210 17991 4467 1 8 . 1 1 83 83 GLU N N 83 121.416 121.416 118.128 3.288 17991 4468 1 8 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.382 -0.009 17991 4469 1 8 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.220 -0.156 17991 4470 1 8 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.657 -0.715 17991 4471 1 8 . 1 1 83 83 GLU H H 83 8.336 8.336 7.962 0.374 17991 4472 1 8 . 1 1 84 84 SER N N 84 115.783 115.783 114.899 0.884 17991 4473 1 8 . 1 1 84 84 SER HA H 84 4.278 4.278 4.689 -0.411 17991 4474 1 8 . 1 1 84 84 SER CA C 84 61.685 61.685 60.367 1.318 17991 4475 1 8 . 1 1 84 84 SER H H 84 8.191 8.191 8.015 0.176 17991 4476 1 8 . 1 1 85 85 LYS N N 85 121.318 121.318 122.463 -1.145 17991 4477 1 8 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.169 -0.084 17991 4478 1 8 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.413 0.375 17991 4479 1 8 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.547 -0.117 17991 4480 1 8 . 1 1 85 85 LYS H H 85 8.113 8.113 8.138 -0.025 17991 4481 1 8 . 1 1 86 86 SER N N 86 115.042 115.042 116.027 -0.985 17991 4482 1 8 . 1 1 86 86 SER HA H 86 4.389 4.389 4.239 0.150 17991 4483 1 8 . 1 1 86 86 SER CA C 86 61.437 61.437 60.965 0.472 17991 4484 1 8 . 1 1 86 86 SER CB C 86 63.116 63.116 63.023 0.093 17991 4485 1 8 . 1 1 86 86 SER H H 86 8.066 8.066 7.704 0.362 17991 4486 1 8 . 1 1 87 87 VAL N N 87 122.920 122.920 121.688 1.232 17991 4487 1 8 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.782 0.598 17991 4488 1 8 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.528 0.595 17991 4489 1 8 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.701 -0.322 17991 4490 1 8 . 1 1 87 87 VAL H H 87 8.103 8.103 7.568 0.535 17991 4491 1 8 . 1 1 88 88 LEU N N 88 119.501 119.501 119.963 -0.462 17991 4492 1 8 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.757 0.365 17991 4493 1 8 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.614 0.292 17991 4494 1 8 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.350 0.594 17991 4495 1 8 . 1 1 88 88 LEU H H 88 8.146 8.146 7.587 0.559 17991 4496 1 8 . 1 1 89 89 LYS N N 89 120.285 120.285 117.636 2.649 17991 4497 1 8 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.124 -0.029 17991 4498 1 8 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.910 0.978 17991 4499 1 8 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.480 -0.254 17991 4500 1 8 . 1 1 89 89 LYS H H 89 8.245 8.245 7.567 0.678 17991 4501 1 8 . 1 1 90 90 SER N N 90 115.131 115.131 113.718 1.413 17991 4502 1 8 . 1 1 90 90 SER HA H 90 4.362 4.362 4.398 -0.036 17991 4503 1 8 . 1 1 90 90 SER CA C 90 61.815 61.815 59.910 1.905 17991 4504 1 8 . 1 1 90 90 SER H H 90 8.037 8.037 7.577 0.460 17991 4505 1 8 . 1 1 91 91 LEU N N 91 120.855 120.855 121.992 -1.137 17991 4506 1 8 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.119 0.029 17991 4507 1 8 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.518 0.895 17991 4508 1 8 . 1 1 91 91 LEU CB C 91 42.175 42.175 42.073 0.102 17991 4509 1 8 . 1 1 91 91 LEU H H 91 8.445 8.445 7.889 0.556 17991 4510 1 8 . 1 1 92 92 THR N N 92 112.933 112.933 115.080 -2.147 17991 4511 1 8 . 1 1 92 92 THR HA H 92 3.904 3.904 3.910 -0.006 17991 4512 1 8 . 1 1 92 92 THR CA C 92 67.390 67.390 66.317 1.073 17991 4513 1 8 . 1 1 92 92 THR CB C 92 69.367 69.367 68.204 1.163 17991 4514 1 8 . 1 1 92 92 THR H H 92 8.383 8.383 7.592 0.791 17991 4515 1 8 . 1 1 93 93 GLU N N 93 120.387 120.387 121.268 -0.881 17991 4516 1 8 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.726 -0.239 17991 4517 1 8 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.400 -0.255 17991 4518 1 8 . 1 1 93 93 GLU H H 93 7.971 7.971 8.396 -0.425 17991 4519 1 8 . 1 1 94 94 LYS N N 94 118.470 118.470 117.925 0.545 17991 4520 1 8 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.029 0.137 17991 4521 1 8 . 1 1 94 94 LYS CA C 94 59.046 59.046 59.200 -0.154 17991 4522 1 8 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.198 0.149 17991 4523 1 8 . 1 1 94 94 LYS H H 94 7.804 7.804 7.742 0.062 17991 4524 1 8 . 1 1 95 95 LEU N N 95 118.397 118.397 119.406 -1.009 17991 4525 1 8 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.340 -0.181 17991 4526 1 8 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.291 0.586 17991 4527 1 8 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.282 -0.333 17991 4528 1 8 . 1 1 95 95 LEU H H 95 8.256 8.256 7.840 0.416 17991 4529 1 8 . 1 1 96 96 LYS N N 96 117.747 117.747 119.384 -1.637 17991 4530 1 8 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.959 -0.019 17991 4531 1 8 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.735 0.547 17991 4532 1 8 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.997 0.352 17991 4533 1 8 . 1 1 96 96 LYS H H 96 8.105 8.105 8.458 -0.353 17991 4534 1 8 . 1 1 97 97 LYS N N 97 116.451 116.451 119.034 -2.583 17991 4535 1 8 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.194 -0.027 17991 4536 1 8 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.119 1.424 17991 4537 1 8 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.933 0.218 17991 4538 1 8 . 1 1 97 97 LYS H H 97 7.520 7.520 7.925 -0.405 17991 4539 1 8 . 1 1 98 98 ILE N N 98 117.587 117.587 122.753 -5.166 17991 4540 1 8 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.862 0.068 17991 4541 1 8 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.913 0.386 17991 4542 1 8 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.992 -0.242 17991 4543 1 8 . 1 1 98 98 ILE H H 98 7.782 7.782 8.466 -0.684 17991 4544 1 8 . 1 1 99 99 VAL N N 99 116.989 116.989 120.332 -3.343 17991 4545 1 8 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.723 0.102 17991 4546 1 8 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.830 0.133 17991 4547 1 8 . 1 1 99 99 VAL CB C 99 31.482 31.482 32.088 -0.606 17991 4548 1 8 . 1 1 99 99 VAL H H 99 7.917 7.917 7.594 0.323 17991 4549 1 8 . 1 1 100 100 GLU N N 100 116.782 116.782 119.026 -2.244 17991 4550 1 8 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.197 0.016 17991 4551 1 8 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.133 -0.159 17991 4552 1 8 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.312 -1.389 17991 4553 1 8 . 1 1 100 100 GLU H H 100 7.702 7.702 8.306 -0.604 17991 4554 1 8 . 1 1 101 101 LEU N N 101 118.218 118.218 120.376 -2.158 17991 4555 1 8 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.396 -0.241 17991 4556 1 8 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.480 -0.744 17991 4557 1 8 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.575 -1.536 17991 4558 1 8 . 1 1 101 101 LEU H H 101 7.751 7.751 7.787 -0.036 17991 4559 1 8 . 1 1 102 102 ILE N N 102 119.412 119.412 117.317 2.095 17991 4560 1 8 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.493 -0.766 17991 4561 1 8 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.986 2.823 17991 4562 1 8 . 1 1 102 102 ILE H H 102 7.559 7.559 8.289 -0.730 17991 4563 1 8 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.357 0.230 17991 4564 1 8 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.345 -0.056 17991 4565 1 8 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.812 0.074 17991 4566 1 8 . 1 1 104 104 SER N N 104 112.794 112.794 113.447 -0.653 17991 4567 1 8 . 1 1 104 104 SER HA H 104 4.571 4.571 4.302 0.269 17991 4568 1 8 . 1 1 104 104 SER CA C 104 59.286 59.286 60.552 -1.266 17991 4569 1 8 . 1 1 104 104 SER CB C 104 63.849 63.849 62.706 1.143 17991 4570 1 8 . 1 1 104 104 SER H H 104 8.100 8.100 8.411 -0.311 17991 4571 1 8 . 1 1 105 105 THR N N 105 114.655 114.655 113.415 1.240 17991 4572 1 8 . 1 1 105 105 THR HA H 105 4.318 4.318 4.434 -0.116 17991 4573 1 8 . 1 1 105 105 THR CA C 105 64.056 64.056 63.809 0.247 17991 4574 1 8 . 1 1 105 105 THR CB C 105 69.861 69.861 69.459 0.402 17991 4575 1 8 . 1 1 105 105 THR H H 105 8.186 8.186 7.615 0.571 17991 4576 1 8 . 1 1 106 106 SER N N 106 116.165 116.165 118.538 -2.373 17991 4577 1 8 . 1 1 106 106 SER HA H 106 4.344 4.344 4.126 0.218 17991 4578 1 8 . 1 1 106 106 SER CA C 106 60.864 60.864 61.651 -0.787 17991 4579 1 8 . 1 1 106 106 SER CB C 106 63.462 63.462 62.355 1.107 17991 4580 1 8 . 1 1 106 106 SER H H 106 8.200 8.200 8.083 0.117 17991 4581 1 8 . 1 1 107 107 SER N N 107 116.732 116.732 118.611 -1.879 17991 4582 1 8 . 1 1 107 107 SER HA H 107 4.413 4.413 4.234 0.179 17991 4583 1 8 . 1 1 107 107 SER CA C 107 60.051 60.051 61.134 -1.083 17991 4584 1 8 . 1 1 107 107 SER CB C 107 63.921 63.921 63.122 0.799 17991 4585 1 8 . 1 1 107 107 SER H H 107 8.114 8.114 8.065 0.049 17991 4586 1 8 . 1 1 108 108 ALA N N 108 122.523 122.523 122.474 0.049 17991 4587 1 8 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.367 0.067 17991 4588 1 8 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.528 -0.046 17991 4589 1 8 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.765 0.566 17991 4590 1 8 . 1 1 108 108 ALA H H 108 8.022 8.022 8.032 -0.010 17991 4591 1 8 . 1 1 109 109 VAL N N 109 117.146 117.146 121.120 -3.974 17991 4592 1 8 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.747 0.041 17991 4593 1 8 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.451 -1.616 17991 4594 1 8 . 1 1 109 109 VAL H H 109 7.829 7.829 8.311 -0.482 17991 4595 1 8 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.330 0.150 17991 4596 1 8 . 1 1 110 110 PRO CA C 110 65.445 65.445 65.010 0.435 17991 4597 1 8 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.260 0.119 17991 4598 1 8 . 1 1 111 111 LEU N N 111 117.393 117.393 118.712 -1.319 17991 4599 1 8 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.293 -0.080 17991 4600 1 8 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.862 0.920 17991 4601 1 8 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.666 -0.218 17991 4602 1 8 . 1 1 111 111 LEU H H 111 7.538 7.538 7.476 0.062 17991 4603 1 8 . 1 1 112 112 ILE N N 112 117.001 117.001 119.455 -2.454 17991 4604 1 8 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.244 -0.243 17991 4605 1 8 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.316 1.310 17991 4606 1 8 . 1 1 112 112 ILE H H 112 8.118 8.118 8.857 -0.739 17991 4607 1 8 . 1 1 113 113 GLY N N 113 106.840 106.840 108.732 -1.892 17991 4608 1 8 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.176 0.596 17991 4609 1 8 . 1 1 113 113 GLY H H 113 8.409 8.409 8.571 -0.162 17991 4610 1 8 . 1 1 114 114 LYS N N 114 120.736 120.736 121.747 -1.011 17991 4611 1 8 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.919 0.201 17991 4612 1 8 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.730 0.409 17991 4613 1 8 . 1 1 114 114 LYS H H 114 7.847 7.847 7.385 0.462 17991 4614 1 8 . 1 1 115 115 TYR N N 115 117.055 117.055 117.442 -0.387 17991 4615 1 8 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.616 -0.344 17991 4616 1 8 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.516 -0.086 17991 4617 1 8 . 1 1 115 115 TYR H H 115 7.891 7.891 7.969 -0.078 17991 4618 1 8 . 1 1 116 116 MET H H 116 8.170 8.170 7.591 0.579 17991 4619 1 8 . 1 1 117 117 LEU N N 117 117.768 117.768 118.331 -0.563 17991 4620 1 8 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.011 -0.102 17991 4621 1 8 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.292 1.302 17991 4622 1 8 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.627 -0.291 17991 4623 1 8 . 1 1 117 117 LEU H H 117 7.781 7.781 7.674 0.107 17991 4624 1 8 . 1 1 118 118 PHE N N 118 118.204 118.204 119.648 -1.444 17991 4625 1 8 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.167 0.261 17991 4626 1 8 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.503 -0.768 17991 4627 1 8 . 1 1 118 118 PHE H H 118 8.024 8.024 7.670 0.354 17991 4628 1 8 . 1 1 119 119 THR N N 119 114.941 114.941 115.812 -0.871 17991 4629 1 8 . 1 1 119 119 THR HA H 119 3.972 3.972 4.127 -0.155 17991 4630 1 8 . 1 1 119 119 THR CA C 119 67.518 67.518 66.611 0.907 17991 4631 1 8 . 1 1 119 119 THR CB C 119 69.194 69.194 68.753 0.441 17991 4632 1 8 . 1 1 119 119 THR H H 119 8.171 8.171 8.113 0.058 17991 4633 1 8 . 1 1 120 120 LYS N N 120 121.758 121.758 120.756 1.002 17991 4634 1 8 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.118 -0.138 17991 4635 1 8 . 1 1 120 120 LYS CA C 120 60.810 60.810 58.742 2.068 17991 4636 1 8 . 1 1 120 120 LYS CB C 120 32.515 32.515 31.989 0.526 17991 4637 1 8 . 1 1 120 120 LYS H H 120 8.359 8.359 7.990 0.369 17991 4638 1 8 . 1 1 121 121 GLU N N 121 117.504 117.504 117.600 -0.096 17991 4639 1 8 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.249 -0.035 17991 4640 1 8 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.082 1.158 17991 4641 1 8 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.012 -1.629 17991 4642 1 8 . 1 1 121 121 GLU H H 121 8.222 8.222 7.692 0.530 17991 4643 1 8 . 1 1 122 122 PHE N N 122 121.586 121.586 120.571 1.015 17991 4644 1 8 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.503 -0.209 17991 4645 1 8 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.186 1.388 17991 4646 1 8 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.085 -0.726 17991 4647 1 8 . 1 1 122 122 PHE H H 122 8.562 8.562 8.096 0.466 17991 4648 1 8 . 1 1 123 123 VAL N N 123 121.558 121.558 120.395 1.163 17991 4649 1 8 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.676 -0.160 17991 4650 1 8 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.592 1.016 17991 4651 1 8 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.260 0.201 17991 4652 1 8 . 1 1 123 123 VAL H H 123 8.784 8.784 7.809 0.975 17991 4653 1 8 . 1 1 124 124 GLU N N 124 118.314 118.314 119.948 -1.634 17991 4654 1 8 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.018 0.024 17991 4655 1 8 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.962 1.245 17991 4656 1 8 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.006 -0.581 17991 4657 1 8 . 1 1 124 124 GLU H H 124 8.564 8.564 7.908 0.656 17991 4658 1 8 . 1 1 125 125 SER N N 125 114.779 114.779 114.556 0.223 17991 4659 1 8 . 1 1 125 125 SER HA H 125 4.265 4.265 4.148 0.117 17991 4660 1 8 . 1 1 125 125 SER CA C 125 62.342 62.342 60.925 1.417 17991 4661 1 8 . 1 1 125 125 SER CB C 125 63.162 63.162 62.453 0.709 17991 4662 1 8 . 1 1 125 125 SER H H 125 8.348 8.348 8.264 0.084 17991 4663 1 8 . 1 1 126 126 SER N N 126 118.464 118.464 117.711 0.753 17991 4664 1 8 . 1 1 126 126 SER HA H 126 4.069 4.069 4.386 -0.317 17991 4665 1 8 . 1 1 126 126 SER CA C 126 62.846 62.846 62.276 0.570 17991 4666 1 8 . 1 1 126 126 SER H H 126 8.144 8.144 7.861 0.283 17991 4667 1 8 . 1 1 127 127 ILE N N 127 124.705 124.705 118.678 6.027 17991 4668 1 8 . 1 1 127 127 ILE HA H 127 3.681 3.681 3.983 -0.302 17991 4669 1 8 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.694 1.947 17991 4670 1 8 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.306 0.728 17991 4671 1 8 . 1 1 127 127 ILE H H 127 8.280 8.280 7.575 0.705 17991 4672 1 8 . 1 1 128 128 LYS N N 128 119.907 119.907 121.118 -1.211 17991 4673 1 8 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.395 0.490 17991 4674 1 8 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.366 -0.118 17991 4675 1 8 . 1 1 128 128 LYS H H 128 7.741 7.741 7.559 0.182 17991 4676 1 8 . 1 1 129 129 ILE N N 129 118.807 118.807 117.711 1.096 17991 4677 1 8 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.825 0.282 17991 4678 1 8 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.470 -0.078 17991 4679 1 8 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.418 -0.368 17991 4680 1 8 . 1 1 129 129 ILE H H 129 8.215 8.215 7.539 0.676 17991 4681 1 8 . 1 1 130 130 THR N N 130 117.328 117.328 112.885 4.443 17991 4682 1 8 . 1 1 130 130 THR HA H 130 3.921 3.921 3.887 0.034 17991 4683 1 8 . 1 1 130 130 THR CA C 130 68.210 68.210 65.776 2.434 17991 4684 1 8 . 1 1 130 130 THR H H 130 7.988 7.988 8.081 -0.093 17991 4685 1 8 . 1 1 131 131 GLU N N 131 118.968 118.968 121.074 -2.106 17991 4686 1 8 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.986 -0.008 17991 4687 1 8 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.388 0.212 17991 4688 1 8 . 1 1 131 131 GLU H H 131 8.439 8.439 7.888 0.551 17991 4689 1 8 . 1 1 132 132 GLU N N 132 118.712 118.712 118.226 0.486 17991 4690 1 8 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.218 0.008 17991 4691 1 8 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.317 0.950 17991 4692 1 8 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.041 -1.422 17991 4693 1 8 . 1 1 132 132 GLU H H 132 7.987 7.987 7.423 0.564 17991 4694 1 8 . 1 1 133 133 VAL N N 133 120.060 120.060 120.713 -0.653 17991 4695 1 8 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.787 0.080 17991 4696 1 8 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.834 2.496 17991 4697 1 8 . 1 1 133 133 VAL CB C 133 32.156 32.156 31.769 0.387 17991 4698 1 8 . 1 1 133 133 VAL H H 133 8.341 8.341 7.868 0.473 17991 4699 1 8 . 1 1 134 134 ILE N N 134 119.699 119.699 120.515 -0.816 17991 4700 1 8 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.940 -0.080 17991 4701 1 8 . 1 1 134 134 ILE CA C 134 65.184 65.184 62.114 3.070 17991 4702 1 8 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.677 0.225 17991 4703 1 8 . 1 1 134 134 ILE H H 134 8.331 8.331 7.722 0.609 17991 4704 1 8 . 1 1 135 135 ASN N N 135 117.396 117.396 116.638 0.758 17991 4705 1 8 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.595 0.080 17991 4706 1 8 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.799 -0.294 17991 4707 1 8 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.152 -0.025 17991 4708 1 8 . 1 1 135 135 ASN H H 135 8.318 8.318 8.023 0.295 17991 4709 1 8 . 1 1 136 136 THR N N 136 111.419 111.419 113.842 -2.423 17991 4710 1 8 . 1 1 136 136 THR HA H 136 4.308 4.308 4.307 0.001 17991 4711 1 8 . 1 1 136 136 THR CA C 136 63.872 63.872 65.581 -1.709 17991 4712 1 8 . 1 1 136 136 THR CB C 136 69.779 69.779 69.340 0.439 17991 4713 1 8 . 1 1 136 136 THR H H 136 8.006 8.006 7.429 0.577 17991 4714 1 8 . 1 1 137 137 HIS N N 137 118.612 118.612 120.999 -2.387 17991 4715 1 8 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.280 0.423 17991 4716 1 8 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.028 -2.568 17991 4717 1 8 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.691 -0.979 17991 4718 1 8 . 1 1 137 137 HIS H H 137 8.013 8.013 8.250 -0.237 17991 4719 1 8 . 1 1 138 138 HIS N N 138 118.709 118.709 116.897 1.812 17991 4720 1 8 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.226 0.600 17991 4721 1 8 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.037 -2.523 17991 4722 1 8 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.452 -1.206 17991 4723 1 8 . 1 1 138 138 HIS H H 138 8.169 8.169 7.840 0.329 17991 4724 1 8 . 1 1 139 139 ARG N N 139 123.025 123.025 118.868 4.157 17991 4725 1 8 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.968 0.598 17991 4726 1 8 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.302 -1.908 17991 4727 1 8 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.769 0.252 17991 4728 1 8 . 1 1 139 139 ARG H H 139 8.419 8.419 8.105 0.314 17991 4729 1 9 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.940 -0.202 17991 4730 1 9 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.712 0.064 17991 4731 1 9 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.802 -1.458 17991 4732 1 9 . 1 1 8 8 HIS H H 8 8.686 8.686 7.976 0.710 17991 4733 1 9 . 1 1 9 9 ALA N N 9 124.079 124.079 126.784 -2.705 17991 4734 1 9 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.495 -0.108 17991 4735 1 9 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.578 0.709 17991 4736 1 9 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.400 -1.225 17991 4737 1 9 . 1 1 9 9 ALA H H 9 8.457 8.457 8.458 -0.001 17991 4738 1 9 . 1 1 10 10 MET N N 10 120.430 120.430 119.606 0.824 17991 4739 1 9 . 1 1 10 10 MET HA H 10 4.390 4.390 4.458 -0.068 17991 4740 1 9 . 1 1 10 10 MET CA C 10 57.753 57.753 58.405 -0.652 17991 4741 1 9 . 1 1 10 10 MET CB C 10 32.355 32.355 32.676 -0.321 17991 4742 1 9 . 1 1 10 10 MET H H 10 8.545 8.545 8.351 0.194 17991 4743 1 9 . 1 1 11 11 VAL N N 11 119.159 119.159 117.433 1.726 17991 4744 1 9 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.974 0.042 17991 4745 1 9 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.436 0.835 17991 4746 1 9 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.698 -0.087 17991 4747 1 9 . 1 1 11 11 VAL H H 11 8.339 8.339 7.998 0.341 17991 4748 1 9 . 1 1 12 12 ILE N N 12 119.461 119.461 119.607 -0.146 17991 4749 1 9 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.126 -0.173 17991 4750 1 9 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.250 1.084 17991 4751 1 9 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.365 -0.869 17991 4752 1 9 . 1 1 12 12 ILE H H 12 7.705 7.705 7.902 -0.197 17991 4753 1 9 . 1 1 13 13 ASP N N 13 119.460 119.460 119.982 -0.522 17991 4754 1 9 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.573 -0.189 17991 4755 1 9 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.066 1.458 17991 4756 1 9 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.092 -1.680 17991 4757 1 9 . 1 1 13 13 ASP H H 13 8.172 8.172 7.880 0.292 17991 4758 1 9 . 1 1 14 14 HIS N N 14 116.421 116.421 117.558 -1.137 17991 4759 1 9 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.469 0.071 17991 4760 1 9 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.978 -0.230 17991 4761 1 9 . 1 1 14 14 HIS CB C 14 28.652 28.652 29.889 -1.237 17991 4762 1 9 . 1 1 14 14 HIS H H 14 8.138 8.138 8.154 -0.016 17991 4763 1 9 . 1 1 15 15 ILE N N 15 119.970 119.970 118.411 1.559 17991 4764 1 9 . 1 1 15 15 ILE HA H 15 3.808 3.808 4.022 -0.214 17991 4765 1 9 . 1 1 15 15 ILE CA C 15 65.404 65.404 61.560 3.844 17991 4766 1 9 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.050 0.737 17991 4767 1 9 . 1 1 15 15 ILE H H 15 8.224 8.224 7.404 0.820 17991 4768 1 9 . 1 1 16 16 LEU N N 16 118.635 118.635 122.468 -3.833 17991 4769 1 9 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.216 0.776 17991 4770 1 9 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.842 -0.056 17991 4771 1 9 . 1 1 16 16 LEU H H 16 8.480 8.480 7.628 0.852 17991 4772 1 9 . 1 1 17 17 LYS N N 17 118.257 118.257 117.874 0.383 17991 4773 1 9 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.922 0.172 17991 4774 1 9 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.356 0.526 17991 4775 1 9 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.735 0.480 17991 4776 1 9 . 1 1 17 17 LYS H H 17 8.098 8.098 7.991 0.107 17991 4777 1 9 . 1 1 18 18 CYS N N 18 117.220 117.220 117.667 -0.447 17991 4778 1 9 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.218 0.111 17991 4779 1 9 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.710 0.508 17991 4780 1 9 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.249 -0.427 17991 4781 1 9 . 1 1 18 18 CYS H H 18 7.899 7.899 7.916 -0.017 17991 4782 1 9 . 1 1 19 19 VAL N N 19 118.929 118.929 119.856 -0.927 17991 4783 1 9 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.890 -0.165 17991 4784 1 9 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.404 1.676 17991 4785 1 9 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.040 0.017 17991 4786 1 9 . 1 1 19 19 VAL H H 19 8.352 8.352 7.732 0.620 17991 4787 1 9 . 1 1 20 20 PHE N N 20 120.244 120.244 119.971 0.273 17991 4788 1 9 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.357 -0.083 17991 4789 1 9 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.899 1.727 17991 4790 1 9 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.820 0.260 17991 4791 1 9 . 1 1 20 20 PHE H H 20 8.791 8.791 8.618 0.173 17991 4792 1 9 . 1 1 21 21 ASP N N 21 118.761 118.761 120.411 -1.650 17991 4793 1 9 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.406 -0.043 17991 4794 1 9 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.603 -0.086 17991 4795 1 9 . 1 1 21 21 ASP CB C 21 40.068 40.068 41.020 -0.952 17991 4796 1 9 . 1 1 21 21 ASP H H 21 8.705 8.705 8.329 0.376 17991 4797 1 9 . 1 1 22 22 LYS N N 22 118.200 118.200 119.726 -1.526 17991 4798 1 9 . 1 1 22 22 LYS HA H 22 4.194 4.194 3.969 0.225 17991 4799 1 9 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.545 0.047 17991 4800 1 9 . 1 1 22 22 LYS CB C 22 32.299 32.299 31.916 0.383 17991 4801 1 9 . 1 1 22 22 LYS H H 22 7.810 7.810 7.435 0.375 17991 4802 1 9 . 1 1 23 23 ILE N N 23 118.534 118.534 119.718 -1.184 17991 4803 1 9 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.612 0.169 17991 4804 1 9 . 1 1 23 23 ILE CA C 23 65.096 65.096 65.189 -0.093 17991 4805 1 9 . 1 1 23 23 ILE H H 23 8.351 8.351 7.514 0.837 17991 4806 1 9 . 1 1 24 24 CYS N N 24 117.155 117.155 115.515 1.640 17991 4807 1 9 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.231 -0.182 17991 4808 1 9 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.724 0.775 17991 4809 1 9 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.219 -0.593 17991 4810 1 9 . 1 1 24 24 CYS H H 24 8.203 8.203 7.749 0.454 17991 4811 1 9 . 1 1 25 25 LYS N N 25 119.995 119.995 122.036 -2.041 17991 4812 1 9 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.802 -1.040 17991 4813 1 9 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.272 0.113 17991 4814 1 9 . 1 1 25 25 LYS H H 25 7.760 7.760 7.173 0.587 17991 4815 1 9 . 1 1 26 26 ILE N N 26 119.168 119.168 117.397 1.771 17991 4816 1 9 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.915 0.059 17991 4817 1 9 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.237 1.869 17991 4818 1 9 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.273 -0.717 17991 4819 1 9 . 1 1 26 26 ILE H H 26 8.055 8.055 7.964 0.091 17991 4820 1 9 . 1 1 27 27 GLY N N 27 108.257 108.257 107.778 0.479 17991 4821 1 9 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.372 -0.383 17991 4822 1 9 . 1 1 27 27 GLY H H 27 8.568 8.568 7.955 0.613 17991 4823 1 9 . 1 1 28 28 THR N N 28 112.727 112.727 117.585 -4.858 17991 4824 1 9 . 1 1 28 28 THR HA H 28 3.912 3.912 3.934 -0.022 17991 4825 1 9 . 1 1 28 28 THR CA C 28 64.717 64.717 67.074 -2.357 17991 4826 1 9 . 1 1 28 28 THR CB C 28 69.375 69.375 68.672 0.703 17991 4827 1 9 . 1 1 28 28 THR H H 28 8.059 8.059 7.604 0.455 17991 4828 1 9 . 1 1 29 29 GLU N N 29 120.068 120.068 118.563 1.505 17991 4829 1 9 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.971 -1.367 17991 4830 1 9 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.203 -0.110 17991 4831 1 9 . 1 1 29 29 GLU H H 29 8.113 8.113 7.793 0.320 17991 4832 1 9 . 1 1 30 30 SER N N 30 114.882 114.882 115.246 -0.364 17991 4833 1 9 . 1 1 30 30 SER HA H 30 4.374 4.374 4.102 0.272 17991 4834 1 9 . 1 1 30 30 SER CA C 30 60.353 60.353 60.728 -0.376 17991 4835 1 9 . 1 1 30 30 SER H H 30 8.060 8.060 7.396 0.664 17991 4836 1 9 . 1 1 31 31 VAL N N 31 122.098 122.098 121.746 0.352 17991 4837 1 9 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.678 0.339 17991 4838 1 9 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.976 -1.349 17991 4839 1 9 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.499 0.486 17991 4840 1 9 . 1 1 31 31 VAL H H 31 8.127 8.127 8.171 -0.044 17991 4841 1 9 . 1 1 32 32 GLU N N 32 120.280 120.280 120.015 0.265 17991 4842 1 9 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.154 0.165 17991 4843 1 9 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.219 -1.332 17991 4844 1 9 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.342 -0.689 17991 4845 1 9 . 1 1 32 32 GLU H H 32 8.243 8.243 7.610 0.633 17991 4846 1 9 . 1 1 33 33 ALA N N 33 121.715 121.715 121.467 0.248 17991 4847 1 9 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.035 0.154 17991 4848 1 9 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.547 0.177 17991 4849 1 9 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.870 0.858 17991 4850 1 9 . 1 1 33 33 ALA H H 33 8.218 8.218 7.487 0.731 17991 4851 1 9 . 1 1 34 34 GLY N N 34 104.656 104.656 105.612 -0.956 17991 4852 1 9 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.632 0.442 17991 4853 1 9 . 1 1 34 34 GLY H H 34 8.308 8.308 7.867 0.441 17991 4854 1 9 . 1 1 35 35 ARG N N 35 119.958 119.958 120.881 -0.923 17991 4855 1 9 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.347 -0.071 17991 4856 1 9 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.380 2.645 17991 4857 1 9 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.304 0.985 17991 4858 1 9 . 1 1 35 35 ARG H H 35 7.975 7.975 7.551 0.424 17991 4859 1 9 . 1 1 36 36 LEU N N 36 118.931 118.931 121.370 -2.439 17991 4860 1 9 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.204 0.020 17991 4861 1 9 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.630 0.173 17991 4862 1 9 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.356 0.837 17991 4863 1 9 . 1 1 36 36 LEU H H 36 7.958 7.958 8.628 -0.670 17991 4864 1 9 . 1 1 37 37 ILE N N 37 118.087 118.087 119.100 -1.013 17991 4865 1 9 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.784 0.147 17991 4866 1 9 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.599 0.260 17991 4867 1 9 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.739 0.300 17991 4868 1 9 . 1 1 37 37 ILE H H 37 7.904 7.904 7.815 0.089 17991 4869 1 9 . 1 1 38 38 GLU N N 38 120.989 120.989 120.912 0.077 17991 4870 1 9 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.979 0.252 17991 4871 1 9 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.659 -1.214 17991 4872 1 9 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.471 -0.460 17991 4873 1 9 . 1 1 38 38 GLU H H 38 8.041 8.041 7.565 0.476 17991 4874 1 9 . 1 1 39 39 LEU N N 39 120.111 120.111 119.859 0.252 17991 4875 1 9 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.047 0.224 17991 4876 1 9 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.769 -0.358 17991 4877 1 9 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.133 1.162 17991 4878 1 9 . 1 1 39 39 LEU H H 39 8.173 8.173 7.932 0.241 17991 4879 1 9 . 1 1 40 40 SER N N 40 113.806 113.806 113.144 0.662 17991 4880 1 9 . 1 1 40 40 SER HA H 40 4.312 4.312 4.249 0.063 17991 4881 1 9 . 1 1 40 40 SER CA C 40 60.406 60.406 60.761 -0.356 17991 4882 1 9 . 1 1 40 40 SER CB C 40 63.646 63.646 63.406 0.240 17991 4883 1 9 . 1 1 40 40 SER H H 40 8.031 8.031 7.652 0.379 17991 4884 1 9 . 1 1 41 41 GLN N N 41 120.139 120.139 118.878 1.261 17991 4885 1 9 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.068 0.328 17991 4886 1 9 . 1 1 41 41 GLN CA C 41 56.601 56.601 58.281 -1.680 17991 4887 1 9 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.317 0.069 17991 4888 1 9 . 1 1 41 41 GLN H H 41 7.956 7.956 7.544 0.412 17991 4889 1 9 . 1 1 42 42 GLU N N 42 119.728 119.728 115.591 4.137 17991 4890 1 9 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.337 0.036 17991 4891 1 9 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.821 0.268 17991 4892 1 9 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.848 -1.493 17991 4893 1 9 . 1 1 42 42 GLU H H 42 8.114 8.114 8.031 0.083 17991 4894 1 9 . 1 1 43 43 GLY N N 43 108.655 108.655 109.630 -0.975 17991 4895 1 9 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.141 -0.518 17991 4896 1 9 . 1 1 43 43 GLY H H 43 8.325 8.325 7.963 0.362 17991 4897 1 9 . 1 1 44 44 GLY N N 44 107.872 107.872 106.482 1.390 17991 4898 1 9 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.499 1.988 17991 4899 1 9 . 1 1 44 44 GLY H H 44 8.105 8.105 7.845 0.260 17991 4900 1 9 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.338 2.057 17991 4901 1 9 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.522 -0.053 17991 4902 1 9 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.393 1.037 17991 4903 1 9 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.979 0.342 17991 4904 1 9 . 1 1 50 50 LEU N N 50 116.864 116.864 117.970 -1.106 17991 4905 1 9 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.395 -0.193 17991 4906 1 9 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.993 1.556 17991 4907 1 9 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.215 1.484 17991 4908 1 9 . 1 1 50 50 LEU H H 50 8.336 8.336 8.155 0.181 17991 4909 1 9 . 1 1 51 51 TYR N N 51 118.433 118.433 122.146 -3.713 17991 4910 1 9 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.145 0.020 17991 4911 1 9 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.681 -0.647 17991 4912 1 9 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.409 0.075 17991 4913 1 9 . 1 1 51 51 TYR H H 51 7.765 7.765 7.814 -0.049 17991 4914 1 9 . 1 1 52 52 PHE N N 52 117.945 117.945 119.049 -1.104 17991 4915 1 9 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.858 0.402 17991 4916 1 9 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.255 -0.004 17991 4917 1 9 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.103 0.216 17991 4918 1 9 . 1 1 52 52 PHE H H 52 7.873 7.873 7.926 -0.053 17991 4919 1 9 . 1 1 53 53 VAL N N 53 117.468 117.468 118.509 -1.041 17991 4920 1 9 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.380 0.272 17991 4921 1 9 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.411 0.887 17991 4922 1 9 . 1 1 53 53 VAL CB C 53 31.810 31.810 32.126 -0.316 17991 4923 1 9 . 1 1 53 53 VAL H H 53 7.864 7.864 7.339 0.525 17991 4924 1 9 . 1 1 54 54 VAL N N 54 116.929 116.929 120.812 -3.883 17991 4925 1 9 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.717 -0.015 17991 4926 1 9 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.028 0.039 17991 4927 1 9 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.144 0.657 17991 4928 1 9 . 1 1 54 54 VAL H H 54 7.958 7.958 8.112 -0.154 17991 4929 1 9 . 1 1 55 55 ASN N N 55 115.543 115.543 116.855 -1.312 17991 4930 1 9 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.801 -0.171 17991 4931 1 9 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.262 0.198 17991 4932 1 9 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.911 1.018 17991 4933 1 9 . 1 1 55 55 ASN H H 55 7.823 7.823 8.058 -0.235 17991 4934 1 9 . 1 1 56 56 VAL N N 56 116.125 116.125 118.191 -2.066 17991 4935 1 9 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.855 0.242 17991 4936 1 9 . 1 1 56 56 VAL CA C 56 64.139 64.139 63.458 0.681 17991 4937 1 9 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.726 -0.723 17991 4938 1 9 . 1 1 56 56 VAL H H 56 7.664 7.664 7.184 0.480 17991 4939 1 9 . 1 1 57 57 ILE N N 57 116.872 116.872 118.639 -1.767 17991 4940 1 9 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.926 0.083 17991 4941 1 9 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.287 1.263 17991 4942 1 9 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.153 0.610 17991 4943 1 9 . 1 1 57 57 ILE H H 57 7.587 7.587 7.614 -0.027 17991 4944 1 9 . 1 1 58 58 GLU N N 58 118.190 118.190 120.950 -2.760 17991 4945 1 9 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.075 0.124 17991 4946 1 9 . 1 1 58 58 GLU CA C 58 60.305 60.305 62.029 -1.724 17991 4947 1 9 . 1 1 58 58 GLU H H 58 8.114 8.114 7.709 0.405 17991 4948 1 9 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.336 0.173 17991 4949 1 9 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.309 0.253 17991 4950 1 9 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.268 0.198 17991 4951 1 9 . 1 1 60 60 CYS N N 60 115.035 115.035 117.393 -2.358 17991 4952 1 9 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.147 0.121 17991 4953 1 9 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.678 -1.565 17991 4954 1 9 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.388 -0.398 17991 4955 1 9 . 1 1 60 60 CYS H H 60 7.913 7.913 7.743 0.170 17991 4956 1 9 . 1 1 61 61 LYS N N 61 121.184 121.184 120.428 0.756 17991 4957 1 9 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.010 0.262 17991 4958 1 9 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.865 -0.776 17991 4959 1 9 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.005 0.423 17991 4960 1 9 . 1 1 61 61 LYS H H 61 8.197 8.197 8.164 0.033 17991 4961 1 9 . 1 1 62 62 LYS N N 62 118.253 118.253 118.143 0.110 17991 4962 1 9 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.693 -0.848 17991 4963 1 9 . 1 1 62 62 LYS CB C 62 32.090 32.090 31.954 0.136 17991 4964 1 9 . 1 1 62 62 LYS H H 62 7.982 7.982 7.874 0.108 17991 4965 1 9 . 1 1 63 63 PHE N N 63 118.763 118.763 118.341 0.422 17991 4966 1 9 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.392 -0.137 17991 4967 1 9 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.725 0.809 17991 4968 1 9 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.205 -0.055 17991 4969 1 9 . 1 1 63 63 PHE H H 63 8.155 8.155 7.592 0.563 17991 4970 1 9 . 1 1 64 64 SER N N 64 114.881 114.881 116.579 -1.698 17991 4971 1 9 . 1 1 64 64 SER HA H 64 4.268 4.268 3.807 0.461 17991 4972 1 9 . 1 1 64 64 SER CA C 64 61.588 61.588 61.093 0.495 17991 4973 1 9 . 1 1 64 64 SER CB C 64 63.175 63.175 62.901 0.274 17991 4974 1 9 . 1 1 64 64 SER H H 64 8.218 8.218 7.927 0.291 17991 4975 1 9 . 1 1 65 65 GLU N N 65 120.937 120.937 119.020 1.917 17991 4976 1 9 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.168 0.116 17991 4977 1 9 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.310 -0.099 17991 4978 1 9 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.834 -0.872 17991 4979 1 9 . 1 1 65 65 GLU H H 65 8.067 8.067 7.743 0.324 17991 4980 1 9 . 1 1 66 66 LEU N N 66 118.904 118.904 120.373 -1.469 17991 4981 1 9 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.063 0.200 17991 4982 1 9 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.227 -0.005 17991 4983 1 9 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.745 0.580 17991 4984 1 9 . 1 1 66 66 LEU H H 66 8.003 8.003 7.191 0.812 17991 4985 1 9 . 1 1 67 67 THR N N 67 108.190 108.190 112.581 -4.391 17991 4986 1 9 . 1 1 67 67 THR HA H 67 4.043 4.043 4.019 0.024 17991 4987 1 9 . 1 1 67 67 THR CA C 67 64.579 64.579 66.028 -1.449 17991 4988 1 9 . 1 1 67 67 THR CB C 67 69.410 69.410 68.052 1.358 17991 4989 1 9 . 1 1 67 67 THR H H 67 7.783 7.783 7.533 0.250 17991 4990 1 9 . 1 1 68 68 GLY N N 68 108.141 108.141 107.369 0.772 17991 4991 1 9 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.397 0.847 17991 4992 1 9 . 1 1 68 68 GLY H H 68 7.964 7.964 7.554 0.410 17991 4993 1 9 . 1 1 69 69 LEU N N 69 120.124 120.124 121.288 -1.164 17991 4994 1 9 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.638 -0.286 17991 4995 1 9 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.548 0.938 17991 4996 1 9 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.739 -0.365 17991 4997 1 9 . 1 1 69 69 LEU H H 69 7.749 7.749 7.529 0.220 17991 4998 1 9 . 1 1 70 70 VAL N N 70 115.546 115.546 117.956 -2.410 17991 4999 1 9 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.837 0.098 17991 5000 1 9 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.691 -1.061 17991 5001 1 9 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.345 -0.081 17991 5002 1 9 . 1 1 70 70 VAL H H 70 7.607 7.607 7.453 0.154 17991 5003 1 9 . 1 1 71 71 PHE N N 71 119.035 119.035 115.467 3.568 17991 5004 1 9 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.532 0.026 17991 5005 1 9 . 1 1 71 71 PHE CA C 71 58.547 58.547 58.807 -0.260 17991 5006 1 9 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.812 -0.512 17991 5007 1 9 . 1 1 71 71 PHE H H 71 7.618 7.618 7.886 -0.268 17991 5008 1 9 . 1 1 72 72 TYR N N 72 118.365 118.365 118.659 -0.294 17991 5009 1 9 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.636 -0.057 17991 5010 1 9 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.338 -1.241 17991 5011 1 9 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.064 -1.820 17991 5012 1 9 . 1 1 72 72 TYR H H 72 7.740 7.740 7.735 0.005 17991 5013 1 9 . 1 1 73 73 LEU N N 73 121.184 121.184 120.193 0.991 17991 5014 1 9 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.793 -0.218 17991 5015 1 9 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.614 1.935 17991 5016 1 9 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.950 -1.869 17991 5017 1 9 . 1 1 73 73 LEU H H 73 7.713 7.713 7.667 0.046 17991 5018 1 9 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.831 -0.193 17991 5019 1 9 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.354 0.850 17991 5020 1 9 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.623 -0.942 17991 5021 1 9 . 1 1 75 75 THR N N 75 113.231 113.231 115.245 -2.014 17991 5022 1 9 . 1 1 75 75 THR HA H 75 4.339 4.339 4.085 0.254 17991 5023 1 9 . 1 1 75 75 THR CA C 75 62.684 62.684 64.439 -1.755 17991 5024 1 9 . 1 1 75 75 THR H H 75 8.217 8.217 8.431 -0.214 17991 5025 1 9 . 1 1 76 76 ASP N N 76 120.892 120.892 114.564 6.328 17991 5026 1 9 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.403 0.387 17991 5027 1 9 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.100 1.139 17991 5028 1 9 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.197 -1.882 17991 5029 1 9 . 1 1 76 76 ASP H H 76 8.406 8.406 7.458 0.948 17991 5030 1 9 . 1 1 77 77 SER N N 77 115.861 115.861 114.975 0.886 17991 5031 1 9 . 1 1 77 77 SER HA H 77 4.345 4.345 4.079 0.266 17991 5032 1 9 . 1 1 77 77 SER CA C 77 60.528 60.528 60.136 0.392 17991 5033 1 9 . 1 1 77 77 SER CB C 77 63.812 63.812 63.423 0.389 17991 5034 1 9 . 1 1 77 77 SER H H 77 8.238 8.238 8.188 0.050 17991 5035 1 9 . 1 1 78 78 GLY N N 78 110.440 110.440 107.408 3.032 17991 5036 1 9 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.065 1.588 17991 5037 1 9 . 1 1 78 78 GLY H H 78 8.570 8.570 7.632 0.938 17991 5038 1 9 . 1 1 79 79 GLU N N 79 121.242 121.242 121.060 0.182 17991 5039 1 9 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.244 0.076 17991 5040 1 9 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.129 -1.111 17991 5041 1 9 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.920 -0.838 17991 5042 1 9 . 1 1 79 79 GLU H H 79 8.237 8.237 8.419 -0.182 17991 5043 1 9 . 1 1 80 80 LYS N N 80 119.708 119.708 118.328 1.380 17991 5044 1 9 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.198 0.121 17991 5045 1 9 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.677 -0.796 17991 5046 1 9 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.287 0.459 17991 5047 1 9 . 1 1 80 80 LYS H H 80 8.252 8.252 8.381 -0.129 17991 5048 1 9 . 1 1 81 81 MET N N 81 119.849 119.849 117.002 2.847 17991 5049 1 9 . 1 1 81 81 MET HA H 81 4.367 4.367 4.348 0.019 17991 5050 1 9 . 1 1 81 81 MET CA C 81 57.845 57.845 59.469 -1.624 17991 5051 1 9 . 1 1 81 81 MET CB C 81 32.658 32.658 32.056 0.603 17991 5052 1 9 . 1 1 81 81 MET H H 81 8.419 8.419 7.948 0.471 17991 5053 1 9 . 1 1 82 82 THR N N 82 114.947 114.947 114.001 0.946 17991 5054 1 9 . 1 1 82 82 THR HA H 82 4.132 4.132 3.936 0.196 17991 5055 1 9 . 1 1 82 82 THR CA C 82 65.377 65.377 66.742 -1.365 17991 5056 1 9 . 1 1 82 82 THR CB C 82 69.035 69.035 68.530 0.505 17991 5057 1 9 . 1 1 82 82 THR H H 82 8.115 8.115 7.747 0.368 17991 5058 1 9 . 1 1 83 83 GLU N N 83 121.416 121.416 118.876 2.540 17991 5059 1 9 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.292 0.081 17991 5060 1 9 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.538 -0.474 17991 5061 1 9 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.790 -0.848 17991 5062 1 9 . 1 1 83 83 GLU H H 83 8.336 8.336 7.776 0.560 17991 5063 1 9 . 1 1 84 84 SER N N 84 115.783 115.783 114.082 1.701 17991 5064 1 9 . 1 1 84 84 SER HA H 84 4.278 4.278 4.562 -0.284 17991 5065 1 9 . 1 1 84 84 SER CA C 84 61.685 61.685 61.038 0.647 17991 5066 1 9 . 1 1 84 84 SER H H 84 8.191 8.191 7.914 0.277 17991 5067 1 9 . 1 1 85 85 LYS N N 85 121.318 121.318 121.234 0.084 17991 5068 1 9 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.275 -0.190 17991 5069 1 9 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.852 0.936 17991 5070 1 9 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.744 -0.314 17991 5071 1 9 . 1 1 85 85 LYS H H 85 8.113 8.113 8.341 -0.228 17991 5072 1 9 . 1 1 86 86 SER N N 86 115.042 115.042 115.223 -0.181 17991 5073 1 9 . 1 1 86 86 SER HA H 86 4.389 4.389 4.250 0.139 17991 5074 1 9 . 1 1 86 86 SER CA C 86 61.437 61.437 61.057 0.380 17991 5075 1 9 . 1 1 86 86 SER CB C 86 63.116 63.116 62.554 0.562 17991 5076 1 9 . 1 1 86 86 SER H H 86 8.066 8.066 7.772 0.294 17991 5077 1 9 . 1 1 87 87 VAL N N 87 122.920 122.920 121.031 1.889 17991 5078 1 9 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.822 0.558 17991 5079 1 9 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.570 0.552 17991 5080 1 9 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.531 -0.152 17991 5081 1 9 . 1 1 87 87 VAL H H 87 8.103 8.103 7.845 0.258 17991 5082 1 9 . 1 1 88 88 LEU N N 88 119.501 119.501 118.474 1.027 17991 5083 1 9 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.034 0.088 17991 5084 1 9 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.087 0.819 17991 5085 1 9 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.416 0.528 17991 5086 1 9 . 1 1 88 88 LEU H H 88 8.146 8.146 7.530 0.616 17991 5087 1 9 . 1 1 89 89 LYS N N 89 120.285 120.285 119.306 0.979 17991 5088 1 9 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.037 0.058 17991 5089 1 9 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.483 0.404 17991 5090 1 9 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.312 -0.086 17991 5091 1 9 . 1 1 89 89 LYS H H 89 8.245 8.245 7.756 0.489 17991 5092 1 9 . 1 1 90 90 SER N N 90 115.131 115.131 114.353 0.778 17991 5093 1 9 . 1 1 90 90 SER HA H 90 4.362 4.362 4.326 0.036 17991 5094 1 9 . 1 1 90 90 SER CA C 90 61.815 61.815 60.300 1.515 17991 5095 1 9 . 1 1 90 90 SER H H 90 8.037 8.037 7.994 0.043 17991 5096 1 9 . 1 1 91 91 LEU N N 91 120.855 120.855 121.989 -1.134 17991 5097 1 9 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.202 -0.054 17991 5098 1 9 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.646 0.767 17991 5099 1 9 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.498 0.677 17991 5100 1 9 . 1 1 91 91 LEU H H 91 8.445 8.445 7.266 1.179 17991 5101 1 9 . 1 1 92 92 THR N N 92 112.933 112.933 115.331 -2.398 17991 5102 1 9 . 1 1 92 92 THR HA H 92 3.904 3.904 3.863 0.041 17991 5103 1 9 . 1 1 92 92 THR CA C 92 67.390 67.390 67.201 0.189 17991 5104 1 9 . 1 1 92 92 THR CB C 92 69.367 69.367 68.535 0.832 17991 5105 1 9 . 1 1 92 92 THR H H 92 8.383 8.383 7.709 0.674 17991 5106 1 9 . 1 1 93 93 GLU N N 93 120.387 120.387 120.082 0.305 17991 5107 1 9 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.465 0.022 17991 5108 1 9 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.519 -0.374 17991 5109 1 9 . 1 1 93 93 GLU H H 93 7.971 7.971 8.246 -0.275 17991 5110 1 9 . 1 1 94 94 LYS N N 94 118.470 118.470 116.869 1.601 17991 5111 1 9 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.184 -0.018 17991 5112 1 9 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.050 1.996 17991 5113 1 9 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.401 -0.054 17991 5114 1 9 . 1 1 94 94 LYS H H 94 7.804 7.804 8.007 -0.203 17991 5115 1 9 . 1 1 95 95 LEU N N 95 118.397 118.397 119.665 -1.268 17991 5116 1 9 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.304 -0.145 17991 5117 1 9 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.781 1.096 17991 5118 1 9 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.508 -0.559 17991 5119 1 9 . 1 1 95 95 LEU H H 95 8.256 8.256 7.564 0.692 17991 5120 1 9 . 1 1 96 96 LYS N N 96 117.747 117.747 118.629 -0.882 17991 5121 1 9 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.106 -0.166 17991 5122 1 9 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.154 1.128 17991 5123 1 9 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.060 0.289 17991 5124 1 9 . 1 1 96 96 LYS H H 96 8.105 8.105 8.692 -0.587 17991 5125 1 9 . 1 1 97 97 LYS N N 97 116.451 116.451 119.504 -3.053 17991 5126 1 9 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.271 -0.104 17991 5127 1 9 . 1 1 97 97 LYS CA C 97 58.543 58.543 56.420 2.123 17991 5128 1 9 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.906 0.245 17991 5129 1 9 . 1 1 97 97 LYS H H 97 7.520 7.520 7.542 -0.022 17991 5130 1 9 . 1 1 98 98 ILE N N 98 117.587 117.587 122.468 -4.881 17991 5131 1 9 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.831 0.099 17991 5132 1 9 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.969 0.330 17991 5133 1 9 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.033 -0.284 17991 5134 1 9 . 1 1 98 98 ILE H H 98 7.782 7.782 7.548 0.234 17991 5135 1 9 . 1 1 99 99 VAL N N 99 116.989 116.989 120.182 -3.193 17991 5136 1 9 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.734 0.091 17991 5137 1 9 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.486 0.477 17991 5138 1 9 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.989 -0.507 17991 5139 1 9 . 1 1 99 99 VAL H H 99 7.917 7.917 7.648 0.269 17991 5140 1 9 . 1 1 100 100 GLU N N 100 116.782 116.782 118.731 -1.949 17991 5141 1 9 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.197 0.016 17991 5142 1 9 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.006 -0.032 17991 5143 1 9 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.320 -1.397 17991 5144 1 9 . 1 1 100 100 GLU H H 100 7.702 7.702 8.315 -0.613 17991 5145 1 9 . 1 1 101 101 LEU N N 101 118.218 118.218 118.756 -0.538 17991 5146 1 9 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.373 -0.218 17991 5147 1 9 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.249 -0.513 17991 5148 1 9 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.464 -1.425 17991 5149 1 9 . 1 1 101 101 LEU H H 101 7.751 7.751 7.744 0.007 17991 5150 1 9 . 1 1 102 102 ILE N N 102 119.412 119.412 116.956 2.456 17991 5151 1 9 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.507 -0.780 17991 5152 1 9 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.853 2.956 17991 5153 1 9 . 1 1 102 102 ILE H H 102 7.559 7.559 8.280 -0.721 17991 5154 1 9 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.329 0.258 17991 5155 1 9 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.327 -0.038 17991 5156 1 9 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.237 -0.351 17991 5157 1 9 . 1 1 104 104 SER N N 104 112.794 112.794 113.915 -1.121 17991 5158 1 9 . 1 1 104 104 SER HA H 104 4.571 4.571 4.299 0.272 17991 5159 1 9 . 1 1 104 104 SER CA C 104 59.286 59.286 60.923 -1.637 17991 5160 1 9 . 1 1 104 104 SER CB C 104 63.849 63.849 63.056 0.793 17991 5161 1 9 . 1 1 104 104 SER H H 104 8.100 8.100 8.551 -0.451 17991 5162 1 9 . 1 1 105 105 THR N N 105 114.655 114.655 112.992 1.663 17991 5163 1 9 . 1 1 105 105 THR HA H 105 4.318 4.318 4.385 -0.067 17991 5164 1 9 . 1 1 105 105 THR CA C 105 64.056 64.056 63.323 0.733 17991 5165 1 9 . 1 1 105 105 THR CB C 105 69.861 69.861 68.758 1.103 17991 5166 1 9 . 1 1 105 105 THR H H 105 8.186 8.186 7.638 0.548 17991 5167 1 9 . 1 1 106 106 SER N N 106 116.165 116.165 117.899 -1.734 17991 5168 1 9 . 1 1 106 106 SER HA H 106 4.344 4.344 4.125 0.219 17991 5169 1 9 . 1 1 106 106 SER CA C 106 60.864 60.864 60.987 -0.124 17991 5170 1 9 . 1 1 106 106 SER CB C 106 63.462 63.462 62.614 0.848 17991 5171 1 9 . 1 1 106 106 SER H H 106 8.200 8.200 7.988 0.212 17991 5172 1 9 . 1 1 107 107 SER N N 107 116.732 116.732 118.301 -1.569 17991 5173 1 9 . 1 1 107 107 SER HA H 107 4.413 4.413 4.235 0.178 17991 5174 1 9 . 1 1 107 107 SER CA C 107 60.051 60.051 61.120 -1.069 17991 5175 1 9 . 1 1 107 107 SER CB C 107 63.921 63.921 62.987 0.934 17991 5176 1 9 . 1 1 107 107 SER H H 107 8.114 8.114 8.067 0.047 17991 5177 1 9 . 1 1 108 108 ALA N N 108 122.523 122.523 122.344 0.179 17991 5178 1 9 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.380 0.054 17991 5179 1 9 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.500 -0.018 17991 5180 1 9 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.761 0.570 17991 5181 1 9 . 1 1 108 108 ALA H H 108 8.022 8.022 7.848 0.174 17991 5182 1 9 . 1 1 109 109 VAL N N 109 117.146 117.146 121.451 -4.305 17991 5183 1 9 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.795 -0.007 17991 5184 1 9 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.475 -1.639 17991 5185 1 9 . 1 1 109 109 VAL H H 109 7.829 7.829 8.323 -0.494 17991 5186 1 9 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.359 0.121 17991 5187 1 9 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.981 0.464 17991 5188 1 9 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.210 0.169 17991 5189 1 9 . 1 1 111 111 LEU N N 111 117.393 117.393 118.624 -1.231 17991 5190 1 9 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.337 -0.124 17991 5191 1 9 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.848 0.934 17991 5192 1 9 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.205 0.243 17991 5193 1 9 . 1 1 111 111 LEU H H 111 7.538 7.538 7.613 -0.075 17991 5194 1 9 . 1 1 112 112 ILE N N 112 117.001 117.001 119.982 -2.981 17991 5195 1 9 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.222 -0.221 17991 5196 1 9 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.504 1.123 17991 5197 1 9 . 1 1 112 112 ILE H H 112 8.118 8.118 8.818 -0.700 17991 5198 1 9 . 1 1 113 113 GLY N N 113 106.840 106.840 108.452 -1.612 17991 5199 1 9 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.281 0.492 17991 5200 1 9 . 1 1 113 113 GLY H H 113 8.409 8.409 8.513 -0.104 17991 5201 1 9 . 1 1 114 114 LYS N N 114 120.736 120.736 121.551 -0.815 17991 5202 1 9 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.860 0.260 17991 5203 1 9 . 1 1 114 114 LYS CA C 114 59.138 59.138 59.059 0.078 17991 5204 1 9 . 1 1 114 114 LYS H H 114 7.847 7.847 7.410 0.437 17991 5205 1 9 . 1 1 115 115 TYR N N 115 117.055 117.055 118.284 -1.229 17991 5206 1 9 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.750 -0.478 17991 5207 1 9 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.057 0.373 17991 5208 1 9 . 1 1 115 115 TYR H H 115 7.891 7.891 7.805 0.086 17991 5209 1 9 . 1 1 116 116 MET H H 116 8.170 8.170 8.166 0.004 17991 5210 1 9 . 1 1 117 117 LEU N N 117 117.768 117.768 118.294 -0.526 17991 5211 1 9 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.053 -0.144 17991 5212 1 9 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.673 0.921 17991 5213 1 9 . 1 1 117 117 LEU CB C 117 41.336 41.336 40.660 0.676 17991 5214 1 9 . 1 1 117 117 LEU H H 117 7.781 7.781 7.652 0.129 17991 5215 1 9 . 1 1 118 118 PHE N N 118 118.204 118.204 119.832 -1.628 17991 5216 1 9 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.167 0.261 17991 5217 1 9 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.853 -1.118 17991 5218 1 9 . 1 1 118 118 PHE H H 118 8.024 8.024 7.681 0.343 17991 5219 1 9 . 1 1 119 119 THR N N 119 114.941 114.941 114.184 0.757 17991 5220 1 9 . 1 1 119 119 THR HA H 119 3.972 3.972 4.141 -0.169 17991 5221 1 9 . 1 1 119 119 THR CA C 119 67.518 67.518 66.713 0.805 17991 5222 1 9 . 1 1 119 119 THR CB C 119 69.194 69.194 68.738 0.456 17991 5223 1 9 . 1 1 119 119 THR H H 119 8.171 8.171 7.844 0.327 17991 5224 1 9 . 1 1 120 120 LYS N N 120 121.758 121.758 121.195 0.563 17991 5225 1 9 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.010 -0.030 17991 5226 1 9 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.588 1.222 17991 5227 1 9 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.362 0.153 17991 5228 1 9 . 1 1 120 120 LYS H H 120 8.359 8.359 7.805 0.554 17991 5229 1 9 . 1 1 121 121 GLU N N 121 117.504 117.504 116.867 0.637 17991 5230 1 9 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.255 -0.041 17991 5231 1 9 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.289 0.951 17991 5232 1 9 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.970 -1.587 17991 5233 1 9 . 1 1 121 121 GLU H H 121 8.222 8.222 7.757 0.465 17991 5234 1 9 . 1 1 122 122 PHE N N 122 121.586 121.586 119.761 1.825 17991 5235 1 9 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.523 -0.229 17991 5236 1 9 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.111 1.462 17991 5237 1 9 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.309 -0.950 17991 5238 1 9 . 1 1 122 122 PHE H H 122 8.562 8.562 7.983 0.579 17991 5239 1 9 . 1 1 123 123 VAL N N 123 121.558 121.558 119.576 1.982 17991 5240 1 9 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.669 -0.153 17991 5241 1 9 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.947 0.661 17991 5242 1 9 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.911 0.550 17991 5243 1 9 . 1 1 123 123 VAL H H 123 8.784 8.784 8.693 0.091 17991 5244 1 9 . 1 1 124 124 GLU N N 124 118.314 118.314 119.859 -1.545 17991 5245 1 9 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.082 -0.040 17991 5246 1 9 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.233 0.975 17991 5247 1 9 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.935 -0.510 17991 5248 1 9 . 1 1 124 124 GLU H H 124 8.564 8.564 8.312 0.252 17991 5249 1 9 . 1 1 125 125 SER N N 125 114.779 114.779 115.805 -1.026 17991 5250 1 9 . 1 1 125 125 SER HA H 125 4.265 4.265 4.086 0.179 17991 5251 1 9 . 1 1 125 125 SER CA C 125 62.342 62.342 61.948 0.394 17991 5252 1 9 . 1 1 125 125 SER CB C 125 63.162 63.162 62.908 0.254 17991 5253 1 9 . 1 1 125 125 SER H H 125 8.348 8.348 8.383 -0.035 17991 5254 1 9 . 1 1 126 126 SER N N 126 118.464 118.464 117.723 0.741 17991 5255 1 9 . 1 1 126 126 SER HA H 126 4.069 4.069 4.437 -0.368 17991 5256 1 9 . 1 1 126 126 SER CA C 126 62.846 62.846 61.668 1.178 17991 5257 1 9 . 1 1 126 126 SER H H 126 8.144 8.144 7.842 0.302 17991 5258 1 9 . 1 1 127 127 ILE N N 127 124.705 124.705 121.162 3.543 17991 5259 1 9 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.065 -0.384 17991 5260 1 9 . 1 1 127 127 ILE CA C 127 65.641 65.641 62.905 2.736 17991 5261 1 9 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.034 -0.000 17991 5262 1 9 . 1 1 127 127 ILE H H 127 8.280 8.280 7.885 0.395 17991 5263 1 9 . 1 1 128 128 LYS N N 128 119.907 119.907 121.192 -1.285 17991 5264 1 9 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.647 0.238 17991 5265 1 9 . 1 1 128 128 LYS CB C 128 32.248 32.248 31.879 0.369 17991 5266 1 9 . 1 1 128 128 LYS H H 128 7.741 7.741 7.291 0.450 17991 5267 1 9 . 1 1 129 129 ILE N N 129 118.807 118.807 116.768 2.039 17991 5268 1 9 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.928 0.179 17991 5269 1 9 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.766 -0.374 17991 5270 1 9 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.544 -0.494 17991 5271 1 9 . 1 1 129 129 ILE H H 129 8.215 8.215 7.564 0.651 17991 5272 1 9 . 1 1 130 130 THR N N 130 117.328 117.328 114.320 3.008 17991 5273 1 9 . 1 1 130 130 THR HA H 130 3.921 3.921 3.851 0.070 17991 5274 1 9 . 1 1 130 130 THR CA C 130 68.210 68.210 66.291 1.919 17991 5275 1 9 . 1 1 130 130 THR H H 130 7.988 7.988 7.918 0.070 17991 5276 1 9 . 1 1 131 131 GLU N N 131 118.968 118.968 121.100 -2.132 17991 5277 1 9 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.028 -0.050 17991 5278 1 9 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.033 0.567 17991 5279 1 9 . 1 1 131 131 GLU H H 131 8.439 8.439 8.048 0.391 17991 5280 1 9 . 1 1 132 132 GLU N N 132 118.712 118.712 117.475 1.237 17991 5281 1 9 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.216 0.010 17991 5282 1 9 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.403 0.864 17991 5283 1 9 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.242 -1.623 17991 5284 1 9 . 1 1 132 132 GLU H H 132 7.987 7.987 7.979 0.009 17991 5285 1 9 . 1 1 133 133 VAL N N 133 120.060 120.060 120.162 -0.102 17991 5286 1 9 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.979 -0.112 17991 5287 1 9 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.765 2.565 17991 5288 1 9 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.703 -0.547 17991 5289 1 9 . 1 1 133 133 VAL H H 133 8.341 8.341 7.597 0.744 17991 5290 1 9 . 1 1 134 134 ILE N N 134 119.699 119.699 122.094 -2.395 17991 5291 1 9 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.673 0.187 17991 5292 1 9 . 1 1 134 134 ILE CA C 134 65.184 65.184 64.734 0.450 17991 5293 1 9 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.570 0.332 17991 5294 1 9 . 1 1 134 134 ILE H H 134 8.331 8.331 8.554 -0.223 17991 5295 1 9 . 1 1 135 135 ASN N N 135 117.396 117.396 116.196 1.200 17991 5296 1 9 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.361 0.314 17991 5297 1 9 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.027 -0.522 17991 5298 1 9 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.035 1.092 17991 5299 1 9 . 1 1 135 135 ASN H H 135 8.318 8.318 8.313 0.005 17991 5300 1 9 . 1 1 136 136 THR N N 136 111.419 111.419 113.313 -1.894 17991 5301 1 9 . 1 1 136 136 THR HA H 136 4.308 4.308 4.284 0.024 17991 5302 1 9 . 1 1 136 136 THR CA C 136 63.872 63.872 65.796 -1.924 17991 5303 1 9 . 1 1 136 136 THR CB C 136 69.779 69.779 69.409 0.370 17991 5304 1 9 . 1 1 136 136 THR H H 136 8.006 8.006 7.884 0.122 17991 5305 1 9 . 1 1 137 137 HIS N N 137 118.612 118.612 121.770 -3.158 17991 5306 1 9 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.257 0.446 17991 5307 1 9 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.411 -2.951 17991 5308 1 9 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.865 -1.153 17991 5309 1 9 . 1 1 137 137 HIS H H 137 8.013 8.013 7.804 0.209 17991 5310 1 9 . 1 1 138 138 HIS N N 138 118.709 118.709 118.012 0.697 17991 5311 1 9 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.303 0.523 17991 5312 1 9 . 1 1 138 138 HIS CA C 138 55.514 55.514 59.055 -3.541 17991 5313 1 9 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.080 -0.834 17991 5314 1 9 . 1 1 138 138 HIS H H 138 8.169 8.169 8.525 -0.356 17991 5315 1 9 . 1 1 139 139 ARG N N 139 123.025 123.025 119.313 3.712 17991 5316 1 9 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.206 0.360 17991 5317 1 9 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.577 -2.183 17991 5318 1 9 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.671 0.350 17991 5319 1 9 . 1 1 139 139 ARG H H 139 8.419 8.419 8.421 -0.002 17991 5320 1 10 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.882 -0.144 17991 5321 1 10 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.359 0.417 17991 5322 1 10 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.440 -1.096 17991 5323 1 10 . 1 1 8 8 HIS H H 8 8.686 8.686 7.820 0.866 17991 5324 1 10 . 1 1 9 9 ALA N N 9 124.079 124.079 126.551 -2.472 17991 5325 1 10 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.445 -0.058 17991 5326 1 10 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.828 0.459 17991 5327 1 10 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.321 -1.146 17991 5328 1 10 . 1 1 9 9 ALA H H 9 8.457 8.457 8.509 -0.052 17991 5329 1 10 . 1 1 10 10 MET N N 10 120.430 120.430 118.702 1.728 17991 5330 1 10 . 1 1 10 10 MET HA H 10 4.390 4.390 4.428 -0.038 17991 5331 1 10 . 1 1 10 10 MET CA C 10 57.753 57.753 58.385 -0.632 17991 5332 1 10 . 1 1 10 10 MET CB C 10 32.355 32.355 32.649 -0.294 17991 5333 1 10 . 1 1 10 10 MET H H 10 8.545 8.545 8.402 0.143 17991 5334 1 10 . 1 1 11 11 VAL N N 11 119.159 119.159 114.263 4.896 17991 5335 1 10 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.147 -0.131 17991 5336 1 10 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.905 1.366 17991 5337 1 10 . 1 1 11 11 VAL CB C 11 31.611 31.611 30.994 0.617 17991 5338 1 10 . 1 1 11 11 VAL H H 11 8.339 8.339 7.988 0.351 17991 5339 1 10 . 1 1 12 12 ILE N N 12 119.461 119.461 120.436 -0.975 17991 5340 1 10 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.146 -0.193 17991 5341 1 10 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.738 0.596 17991 5342 1 10 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.454 -0.958 17991 5343 1 10 . 1 1 12 12 ILE H H 12 7.705 7.705 7.975 -0.270 17991 5344 1 10 . 1 1 13 13 ASP N N 13 119.460 119.460 119.553 -0.093 17991 5345 1 10 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.655 -0.271 17991 5346 1 10 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.277 1.247 17991 5347 1 10 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.109 -1.697 17991 5348 1 10 . 1 1 13 13 ASP H H 13 8.172 8.172 7.821 0.351 17991 5349 1 10 . 1 1 14 14 HIS N N 14 116.421 116.421 119.431 -3.010 17991 5350 1 10 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.491 0.049 17991 5351 1 10 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.763 -1.015 17991 5352 1 10 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.508 -1.856 17991 5353 1 10 . 1 1 14 14 HIS H H 14 8.138 8.138 7.680 0.458 17991 5354 1 10 . 1 1 15 15 ILE N N 15 119.970 119.970 119.450 0.520 17991 5355 1 10 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.929 -0.121 17991 5356 1 10 . 1 1 15 15 ILE CA C 15 65.404 65.404 63.554 1.850 17991 5357 1 10 . 1 1 15 15 ILE CB C 15 37.787 37.787 36.743 1.044 17991 5358 1 10 . 1 1 15 15 ILE H H 15 8.224 8.224 7.699 0.525 17991 5359 1 10 . 1 1 16 16 LEU N N 16 118.635 118.635 121.834 -3.199 17991 5360 1 10 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.635 0.357 17991 5361 1 10 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.796 -0.010 17991 5362 1 10 . 1 1 16 16 LEU H H 16 8.480 8.480 8.132 0.348 17991 5363 1 10 . 1 1 17 17 LYS N N 17 118.257 118.257 117.368 0.889 17991 5364 1 10 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.036 0.058 17991 5365 1 10 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.074 0.808 17991 5366 1 10 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.861 0.355 17991 5367 1 10 . 1 1 17 17 LYS H H 17 8.098 8.098 8.023 0.075 17991 5368 1 10 . 1 1 18 18 CYS N N 18 117.220 117.220 118.376 -1.156 17991 5369 1 10 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.393 -0.064 17991 5370 1 10 . 1 1 18 18 CYS CA C 18 63.218 63.218 61.762 1.456 17991 5371 1 10 . 1 1 18 18 CYS CB C 18 26.822 26.822 26.823 -0.001 17991 5372 1 10 . 1 1 18 18 CYS H H 18 7.899 7.899 8.131 -0.232 17991 5373 1 10 . 1 1 19 19 VAL N N 19 118.929 118.929 120.624 -1.695 17991 5374 1 10 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.986 -0.261 17991 5375 1 10 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.788 1.292 17991 5376 1 10 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.992 0.065 17991 5377 1 10 . 1 1 19 19 VAL H H 19 8.352 8.352 7.674 0.678 17991 5378 1 10 . 1 1 20 20 PHE N N 20 120.244 120.244 119.620 0.624 17991 5379 1 10 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.364 -0.090 17991 5380 1 10 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.616 1.010 17991 5381 1 10 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.979 0.101 17991 5382 1 10 . 1 1 20 20 PHE H H 20 8.791 8.791 8.926 -0.135 17991 5383 1 10 . 1 1 21 21 ASP N N 21 118.761 118.761 120.255 -1.494 17991 5384 1 10 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.436 -0.073 17991 5385 1 10 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.223 0.294 17991 5386 1 10 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.824 -0.756 17991 5387 1 10 . 1 1 21 21 ASP H H 21 8.705 8.705 7.904 0.801 17991 5388 1 10 . 1 1 22 22 LYS N N 22 118.200 118.200 119.570 -1.370 17991 5389 1 10 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.179 0.015 17991 5390 1 10 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.095 0.498 17991 5391 1 10 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.270 0.029 17991 5392 1 10 . 1 1 22 22 LYS H H 22 7.810 7.810 7.531 0.279 17991 5393 1 10 . 1 1 23 23 ILE N N 23 118.534 118.534 120.250 -1.716 17991 5394 1 10 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.626 0.155 17991 5395 1 10 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.901 0.195 17991 5396 1 10 . 1 1 23 23 ILE H H 23 8.351 8.351 7.609 0.742 17991 5397 1 10 . 1 1 24 24 CYS N N 24 117.155 117.155 115.258 1.897 17991 5398 1 10 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.234 -0.185 17991 5399 1 10 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.666 1.833 17991 5400 1 10 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.247 -0.621 17991 5401 1 10 . 1 1 24 24 CYS H H 24 8.203 8.203 7.856 0.347 17991 5402 1 10 . 1 1 25 25 LYS N N 25 119.995 119.995 122.170 -2.175 17991 5403 1 10 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.618 -0.856 17991 5404 1 10 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.588 -0.203 17991 5405 1 10 . 1 1 25 25 LYS H H 25 7.760 7.760 7.341 0.419 17991 5406 1 10 . 1 1 26 26 ILE N N 26 119.168 119.168 113.318 5.850 17991 5407 1 10 . 1 1 26 26 ILE HA H 26 3.974 3.974 4.044 -0.070 17991 5408 1 10 . 1 1 26 26 ILE CA C 26 64.106 64.106 63.409 0.697 17991 5409 1 10 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.553 0.003 17991 5410 1 10 . 1 1 26 26 ILE H H 26 8.055 8.055 7.693 0.362 17991 5411 1 10 . 1 1 27 27 GLY N N 27 108.257 108.257 108.207 0.050 17991 5412 1 10 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.278 -0.289 17991 5413 1 10 . 1 1 27 27 GLY H H 27 8.568 8.568 7.946 0.622 17991 5414 1 10 . 1 1 28 28 THR N N 28 112.727 112.727 111.098 1.629 17991 5415 1 10 . 1 1 28 28 THR HA H 28 3.912 3.912 4.226 -0.314 17991 5416 1 10 . 1 1 28 28 THR CA C 28 64.717 64.717 63.844 0.873 17991 5417 1 10 . 1 1 28 28 THR CB C 28 69.375 69.375 68.875 0.500 17991 5418 1 10 . 1 1 28 28 THR H H 28 8.059 8.059 7.393 0.666 17991 5419 1 10 . 1 1 29 29 GLU N N 29 120.068 120.068 121.787 -1.719 17991 5420 1 10 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.172 -1.568 17991 5421 1 10 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.395 -0.302 17991 5422 1 10 . 1 1 29 29 GLU H H 29 8.113 8.113 7.687 0.426 17991 5423 1 10 . 1 1 30 30 SER N N 30 114.882 114.882 113.837 1.045 17991 5424 1 10 . 1 1 30 30 SER HA H 30 4.374 4.374 4.139 0.235 17991 5425 1 10 . 1 1 30 30 SER CA C 30 60.353 60.353 61.058 -0.705 17991 5426 1 10 . 1 1 30 30 SER H H 30 8.060 8.060 7.631 0.429 17991 5427 1 10 . 1 1 31 31 VAL N N 31 122.098 122.098 120.761 1.337 17991 5428 1 10 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.817 0.200 17991 5429 1 10 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.244 -0.617 17991 5430 1 10 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.131 0.854 17991 5431 1 10 . 1 1 31 31 VAL H H 31 8.127 8.127 7.237 0.890 17991 5432 1 10 . 1 1 32 32 GLU N N 32 120.280 120.280 120.024 0.256 17991 5433 1 10 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.148 0.170 17991 5434 1 10 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.209 -1.322 17991 5435 1 10 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.270 -0.617 17991 5436 1 10 . 1 1 32 32 GLU H H 32 8.243 8.243 7.456 0.787 17991 5437 1 10 . 1 1 33 33 ALA N N 33 121.715 121.715 121.805 -0.090 17991 5438 1 10 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.067 0.122 17991 5439 1 10 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.750 -0.026 17991 5440 1 10 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.108 0.620 17991 5441 1 10 . 1 1 33 33 ALA H H 33 8.218 8.218 7.560 0.658 17991 5442 1 10 . 1 1 34 34 GLY N N 34 104.656 104.656 105.685 -1.029 17991 5443 1 10 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.783 0.291 17991 5444 1 10 . 1 1 34 34 GLY H H 34 8.308 8.308 7.932 0.376 17991 5445 1 10 . 1 1 35 35 ARG N N 35 119.958 119.958 121.195 -1.237 17991 5446 1 10 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.387 -0.111 17991 5447 1 10 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.259 1.766 17991 5448 1 10 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.528 0.761 17991 5449 1 10 . 1 1 35 35 ARG H H 35 7.975 7.975 7.765 0.210 17991 5450 1 10 . 1 1 36 36 LEU N N 36 118.931 118.931 121.577 -2.646 17991 5451 1 10 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.136 0.088 17991 5452 1 10 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.197 -0.394 17991 5453 1 10 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.954 0.239 17991 5454 1 10 . 1 1 36 36 LEU H H 36 7.958 7.958 8.306 -0.348 17991 5455 1 10 . 1 1 37 37 ILE N N 37 118.087 118.087 119.400 -1.313 17991 5456 1 10 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.748 0.183 17991 5457 1 10 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.854 0.005 17991 5458 1 10 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.544 0.495 17991 5459 1 10 . 1 1 37 37 ILE H H 37 7.904 7.904 8.180 -0.276 17991 5460 1 10 . 1 1 38 38 GLU N N 38 120.989 120.989 119.997 0.992 17991 5461 1 10 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.942 0.289 17991 5462 1 10 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.940 -1.495 17991 5463 1 10 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.404 -0.393 17991 5464 1 10 . 1 1 38 38 GLU H H 38 8.041 8.041 7.590 0.451 17991 5465 1 10 . 1 1 39 39 LEU N N 39 120.111 120.111 118.969 1.142 17991 5466 1 10 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.097 0.174 17991 5467 1 10 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.514 -0.103 17991 5468 1 10 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.371 0.924 17991 5469 1 10 . 1 1 39 39 LEU H H 39 8.173 8.173 7.769 0.404 17991 5470 1 10 . 1 1 40 40 SER N N 40 113.806 113.806 112.268 1.538 17991 5471 1 10 . 1 1 40 40 SER HA H 40 4.312 4.312 4.218 0.094 17991 5472 1 10 . 1 1 40 40 SER CA C 40 60.406 60.406 60.640 -0.234 17991 5473 1 10 . 1 1 40 40 SER CB C 40 63.646 63.646 63.250 0.396 17991 5474 1 10 . 1 1 40 40 SER H H 40 8.031 8.031 7.557 0.474 17991 5475 1 10 . 1 1 41 41 GLN N N 41 120.139 120.139 118.568 1.571 17991 5476 1 10 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.186 0.210 17991 5477 1 10 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.955 -1.353 17991 5478 1 10 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.639 -0.254 17991 5479 1 10 . 1 1 41 41 GLN H H 41 7.956 7.956 7.755 0.201 17991 5480 1 10 . 1 1 42 42 GLU N N 42 119.728 119.728 114.923 4.805 17991 5481 1 10 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.357 0.016 17991 5482 1 10 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.704 0.385 17991 5483 1 10 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.565 -2.210 17991 5484 1 10 . 1 1 42 42 GLU H H 42 8.114 8.114 8.598 -0.484 17991 5485 1 10 . 1 1 43 43 GLY N N 43 108.655 108.655 107.905 0.750 17991 5486 1 10 . 1 1 43 43 GLY CA C 43 45.623 45.623 45.291 0.332 17991 5487 1 10 . 1 1 43 43 GLY H H 43 8.325 8.325 8.224 0.101 17991 5488 1 10 . 1 1 44 44 GLY N N 44 107.872 107.872 107.129 0.743 17991 5489 1 10 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.798 0.689 17991 5490 1 10 . 1 1 44 44 GLY H H 44 8.105 8.105 7.582 0.523 17991 5491 1 10 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.903 1.492 17991 5492 1 10 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.458 0.011 17991 5493 1 10 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.331 1.099 17991 5494 1 10 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.909 0.412 17991 5495 1 10 . 1 1 50 50 LEU N N 50 116.864 116.864 118.630 -1.766 17991 5496 1 10 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.191 0.011 17991 5497 1 10 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.604 -0.055 17991 5498 1 10 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.450 0.249 17991 5499 1 10 . 1 1 50 50 LEU H H 50 8.336 8.336 8.057 0.279 17991 5500 1 10 . 1 1 51 51 TYR N N 51 118.433 118.433 120.886 -2.453 17991 5501 1 10 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.123 0.042 17991 5502 1 10 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.887 0.147 17991 5503 1 10 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.040 0.444 17991 5504 1 10 . 1 1 51 51 TYR H H 51 7.765 7.765 7.802 -0.037 17991 5505 1 10 . 1 1 52 52 PHE N N 52 117.945 117.945 119.885 -1.940 17991 5506 1 10 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.493 0.767 17991 5507 1 10 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.388 -0.137 17991 5508 1 10 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.140 0.179 17991 5509 1 10 . 1 1 52 52 PHE H H 52 7.873 7.873 7.660 0.213 17991 5510 1 10 . 1 1 53 53 VAL N N 53 117.468 117.468 118.860 -1.392 17991 5511 1 10 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.370 0.282 17991 5512 1 10 . 1 1 53 53 VAL CA C 53 66.298 66.298 66.302 -0.004 17991 5513 1 10 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.759 0.051 17991 5514 1 10 . 1 1 53 53 VAL H H 53 7.864 7.864 7.556 0.308 17991 5515 1 10 . 1 1 54 54 VAL N N 54 116.929 116.929 120.388 -3.459 17991 5516 1 10 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.645 0.057 17991 5517 1 10 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.584 -0.517 17991 5518 1 10 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.519 0.282 17991 5519 1 10 . 1 1 54 54 VAL H H 54 7.958 7.958 8.382 -0.424 17991 5520 1 10 . 1 1 55 55 ASN N N 55 115.543 115.543 116.572 -1.029 17991 5521 1 10 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.676 -0.046 17991 5522 1 10 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.246 0.214 17991 5523 1 10 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.156 0.773 17991 5524 1 10 . 1 1 55 55 ASN H H 55 7.823 7.823 7.983 -0.160 17991 5525 1 10 . 1 1 56 56 VAL N N 56 116.125 116.125 117.871 -1.746 17991 5526 1 10 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.643 0.454 17991 5527 1 10 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.485 -0.346 17991 5528 1 10 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.948 0.055 17991 5529 1 10 . 1 1 56 56 VAL H H 56 7.664 7.664 7.589 0.075 17991 5530 1 10 . 1 1 57 57 ILE N N 57 116.872 116.872 118.750 -1.878 17991 5531 1 10 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.752 0.257 17991 5532 1 10 . 1 1 57 57 ILE CA C 57 63.550 63.550 63.008 0.542 17991 5533 1 10 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.743 1.020 17991 5534 1 10 . 1 1 57 57 ILE H H 57 7.587 7.587 8.175 -0.588 17991 5535 1 10 . 1 1 58 58 GLU N N 58 118.190 118.190 120.432 -2.242 17991 5536 1 10 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.091 0.108 17991 5537 1 10 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.654 -1.349 17991 5538 1 10 . 1 1 58 58 GLU H H 58 8.114 8.114 7.633 0.481 17991 5539 1 10 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.330 0.179 17991 5540 1 10 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.957 0.605 17991 5541 1 10 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.135 0.331 17991 5542 1 10 . 1 1 60 60 CYS N N 60 115.035 115.035 117.941 -2.906 17991 5543 1 10 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.155 0.113 17991 5544 1 10 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.610 -1.497 17991 5545 1 10 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.580 -0.590 17991 5546 1 10 . 1 1 60 60 CYS H H 60 7.913 7.913 7.519 0.394 17991 5547 1 10 . 1 1 61 61 LYS N N 61 121.184 121.184 120.431 0.753 17991 5548 1 10 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.076 0.196 17991 5549 1 10 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.808 -0.719 17991 5550 1 10 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.004 0.424 17991 5551 1 10 . 1 1 61 61 LYS H H 61 8.197 8.197 7.853 0.344 17991 5552 1 10 . 1 1 62 62 LYS N N 62 118.253 118.253 118.274 -0.021 17991 5553 1 10 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.729 -0.885 17991 5554 1 10 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.077 0.013 17991 5555 1 10 . 1 1 62 62 LYS H H 62 7.982 7.982 8.096 -0.114 17991 5556 1 10 . 1 1 63 63 PHE N N 63 118.763 118.763 118.110 0.653 17991 5557 1 10 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.489 -0.234 17991 5558 1 10 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.527 1.007 17991 5559 1 10 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.507 -0.357 17991 5560 1 10 . 1 1 63 63 PHE H H 63 8.155 8.155 7.604 0.551 17991 5561 1 10 . 1 1 64 64 SER N N 64 114.881 114.881 115.531 -0.650 17991 5562 1 10 . 1 1 64 64 SER HA H 64 4.268 4.268 3.822 0.446 17991 5563 1 10 . 1 1 64 64 SER CA C 64 61.588 61.588 61.433 0.155 17991 5564 1 10 . 1 1 64 64 SER CB C 64 63.175 63.175 62.783 0.392 17991 5565 1 10 . 1 1 64 64 SER H H 64 8.218 8.218 8.062 0.156 17991 5566 1 10 . 1 1 65 65 GLU N N 65 120.937 120.937 119.771 1.166 17991 5567 1 10 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.097 0.187 17991 5568 1 10 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.407 -0.196 17991 5569 1 10 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.328 -0.367 17991 5570 1 10 . 1 1 65 65 GLU H H 65 8.067 8.067 8.013 0.054 17991 5571 1 10 . 1 1 66 66 LEU N N 66 118.904 118.904 119.374 -0.470 17991 5572 1 10 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.048 0.215 17991 5573 1 10 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.486 -0.264 17991 5574 1 10 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.658 0.667 17991 5575 1 10 . 1 1 66 66 LEU H H 66 8.003 8.003 7.889 0.114 17991 5576 1 10 . 1 1 67 67 THR N N 67 108.190 108.190 112.192 -4.002 17991 5577 1 10 . 1 1 67 67 THR HA H 67 4.043 4.043 4.123 -0.080 17991 5578 1 10 . 1 1 67 67 THR CA C 67 64.579 64.579 65.154 -0.575 17991 5579 1 10 . 1 1 67 67 THR CB C 67 69.410 69.410 68.385 1.025 17991 5580 1 10 . 1 1 67 67 THR H H 67 7.783 7.783 7.267 0.516 17991 5581 1 10 . 1 1 68 68 GLY N N 68 108.141 108.141 107.837 0.304 17991 5582 1 10 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.516 0.728 17991 5583 1 10 . 1 1 68 68 GLY H H 68 7.964 7.964 7.446 0.518 17991 5584 1 10 . 1 1 69 69 LEU N N 69 120.124 120.124 121.275 -1.151 17991 5585 1 10 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.646 -0.294 17991 5586 1 10 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.497 0.989 17991 5587 1 10 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.124 0.250 17991 5588 1 10 . 1 1 69 69 LEU H H 69 7.749 7.749 7.597 0.152 17991 5589 1 10 . 1 1 70 70 VAL N N 70 115.546 115.546 118.046 -2.500 17991 5590 1 10 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.812 0.123 17991 5591 1 10 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.987 -1.357 17991 5592 1 10 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.467 -0.202 17991 5593 1 10 . 1 1 70 70 VAL H H 70 7.607 7.607 7.465 0.142 17991 5594 1 10 . 1 1 71 71 PHE N N 71 119.035 119.035 114.924 4.111 17991 5595 1 10 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.394 0.164 17991 5596 1 10 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.310 -0.763 17991 5597 1 10 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.650 -0.350 17991 5598 1 10 . 1 1 71 71 PHE H H 71 7.618 7.618 7.815 -0.197 17991 5599 1 10 . 1 1 72 72 TYR N N 72 118.365 118.365 117.787 0.578 17991 5600 1 10 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.617 -0.038 17991 5601 1 10 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.389 -1.292 17991 5602 1 10 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.859 -1.615 17991 5603 1 10 . 1 1 72 72 TYR H H 72 7.740 7.740 8.053 -0.313 17991 5604 1 10 . 1 1 73 73 LEU N N 73 121.184 121.184 120.964 0.220 17991 5605 1 10 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.703 -0.128 17991 5606 1 10 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.782 1.767 17991 5607 1 10 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.402 -1.321 17991 5608 1 10 . 1 1 73 73 LEU H H 73 7.713 7.713 7.523 0.190 17991 5609 1 10 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.514 0.124 17991 5610 1 10 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.728 0.476 17991 5611 1 10 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.137 -0.456 17991 5612 1 10 . 1 1 75 75 THR N N 75 113.231 113.231 113.185 0.046 17991 5613 1 10 . 1 1 75 75 THR HA H 75 4.339 4.339 4.407 -0.068 17991 5614 1 10 . 1 1 75 75 THR CA C 75 62.684 62.684 61.814 0.870 17991 5615 1 10 . 1 1 75 75 THR H H 75 8.217 8.217 8.335 -0.118 17991 5616 1 10 . 1 1 76 76 ASP N N 76 120.892 120.892 120.110 0.782 17991 5617 1 10 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.731 0.059 17991 5618 1 10 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.424 0.815 17991 5619 1 10 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.254 -1.939 17991 5620 1 10 . 1 1 76 76 ASP H H 76 8.406 8.406 7.655 0.751 17991 5621 1 10 . 1 1 77 77 SER N N 77 115.861 115.861 115.172 0.689 17991 5622 1 10 . 1 1 77 77 SER HA H 77 4.345 4.345 4.156 0.189 17991 5623 1 10 . 1 1 77 77 SER CA C 77 60.528 60.528 59.894 0.634 17991 5624 1 10 . 1 1 77 77 SER CB C 77 63.812 63.812 63.498 0.314 17991 5625 1 10 . 1 1 77 77 SER H H 77 8.238 8.238 8.482 -0.244 17991 5626 1 10 . 1 1 78 78 GLY N N 78 110.440 110.440 105.561 4.879 17991 5627 1 10 . 1 1 78 78 GLY CA C 78 46.653 46.653 44.985 1.668 17991 5628 1 10 . 1 1 78 78 GLY H H 78 8.570 8.570 7.689 0.881 17991 5629 1 10 . 1 1 79 79 GLU N N 79 121.242 121.242 122.013 -0.771 17991 5630 1 10 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.096 0.224 17991 5631 1 10 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.246 -1.228 17991 5632 1 10 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.606 -0.524 17991 5633 1 10 . 1 1 79 79 GLU H H 79 8.237 8.237 8.255 -0.018 17991 5634 1 10 . 1 1 80 80 LYS N N 80 119.708 119.708 118.006 1.702 17991 5635 1 10 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.247 0.072 17991 5636 1 10 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.062 -0.181 17991 5637 1 10 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.145 0.601 17991 5638 1 10 . 1 1 80 80 LYS H H 80 8.252 8.252 8.457 -0.205 17991 5639 1 10 . 1 1 81 81 MET N N 81 119.849 119.849 117.509 2.340 17991 5640 1 10 . 1 1 81 81 MET HA H 81 4.367 4.367 4.289 0.078 17991 5641 1 10 . 1 1 81 81 MET CA C 81 57.845 57.845 59.311 -1.466 17991 5642 1 10 . 1 1 81 81 MET CB C 81 32.658 32.658 31.894 0.764 17991 5643 1 10 . 1 1 81 81 MET H H 81 8.419 8.419 8.114 0.305 17991 5644 1 10 . 1 1 82 82 THR N N 82 114.947 114.947 113.654 1.293 17991 5645 1 10 . 1 1 82 82 THR HA H 82 4.132 4.132 3.971 0.161 17991 5646 1 10 . 1 1 82 82 THR CA C 82 65.377 65.377 66.656 -1.279 17991 5647 1 10 . 1 1 82 82 THR CB C 82 69.035 69.035 68.659 0.376 17991 5648 1 10 . 1 1 82 82 THR H H 82 8.115 8.115 7.903 0.212 17991 5649 1 10 . 1 1 83 83 GLU N N 83 121.416 121.416 119.115 2.301 17991 5650 1 10 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.250 0.123 17991 5651 1 10 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.390 -0.326 17991 5652 1 10 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.788 -0.846 17991 5653 1 10 . 1 1 83 83 GLU H H 83 8.336 8.336 7.595 0.741 17991 5654 1 10 . 1 1 84 84 SER N N 84 115.783 115.783 115.231 0.552 17991 5655 1 10 . 1 1 84 84 SER HA H 84 4.278 4.278 4.448 -0.170 17991 5656 1 10 . 1 1 84 84 SER CA C 84 61.685 61.685 61.180 0.505 17991 5657 1 10 . 1 1 84 84 SER H H 84 8.191 8.191 8.077 0.114 17991 5658 1 10 . 1 1 85 85 LYS N N 85 121.318 121.318 120.674 0.644 17991 5659 1 10 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.010 0.075 17991 5660 1 10 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.374 0.414 17991 5661 1 10 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.062 0.368 17991 5662 1 10 . 1 1 85 85 LYS H H 85 8.113 8.113 7.843 0.270 17991 5663 1 10 . 1 1 86 86 SER N N 86 115.042 115.042 113.357 1.685 17991 5664 1 10 . 1 1 86 86 SER HA H 86 4.389 4.389 4.375 0.014 17991 5665 1 10 . 1 1 86 86 SER CA C 86 61.437 61.437 60.226 1.211 17991 5666 1 10 . 1 1 86 86 SER CB C 86 63.116 63.116 63.028 0.088 17991 5667 1 10 . 1 1 86 86 SER H H 86 8.066 8.066 7.975 0.091 17991 5668 1 10 . 1 1 87 87 VAL N N 87 122.920 122.920 122.221 0.699 17991 5669 1 10 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.901 0.479 17991 5670 1 10 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.525 0.598 17991 5671 1 10 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.491 -0.112 17991 5672 1 10 . 1 1 87 87 VAL H H 87 8.103 8.103 7.212 0.891 17991 5673 1 10 . 1 1 88 88 LEU N N 88 119.501 119.501 118.135 1.366 17991 5674 1 10 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.075 0.047 17991 5675 1 10 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.037 0.869 17991 5676 1 10 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.398 0.546 17991 5677 1 10 . 1 1 88 88 LEU H H 88 8.146 8.146 7.472 0.674 17991 5678 1 10 . 1 1 89 89 LYS N N 89 120.285 120.285 119.748 0.537 17991 5679 1 10 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.009 0.086 17991 5680 1 10 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.449 0.438 17991 5681 1 10 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.511 -0.285 17991 5682 1 10 . 1 1 89 89 LYS H H 89 8.245 8.245 7.604 0.641 17991 5683 1 10 . 1 1 90 90 SER N N 90 115.131 115.131 114.796 0.335 17991 5684 1 10 . 1 1 90 90 SER HA H 90 4.362 4.362 4.307 0.055 17991 5685 1 10 . 1 1 90 90 SER CA C 90 61.815 61.815 60.690 1.125 17991 5686 1 10 . 1 1 90 90 SER H H 90 8.037 8.037 8.024 0.013 17991 5687 1 10 . 1 1 91 91 LEU N N 91 120.855 120.855 122.344 -1.489 17991 5688 1 10 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.260 -0.112 17991 5689 1 10 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.274 1.139 17991 5690 1 10 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.825 0.350 17991 5691 1 10 . 1 1 91 91 LEU H H 91 8.445 8.445 7.284 1.161 17991 5692 1 10 . 1 1 92 92 THR N N 92 112.933 112.933 115.438 -2.505 17991 5693 1 10 . 1 1 92 92 THR HA H 92 3.904 3.904 3.870 0.034 17991 5694 1 10 . 1 1 92 92 THR CA C 92 67.390 67.390 67.198 0.192 17991 5695 1 10 . 1 1 92 92 THR CB C 92 69.367 69.367 68.502 0.865 17991 5696 1 10 . 1 1 92 92 THR H H 92 8.383 8.383 7.692 0.691 17991 5697 1 10 . 1 1 93 93 GLU N N 93 120.387 120.387 120.170 0.217 17991 5698 1 10 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.382 0.105 17991 5699 1 10 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.578 -0.433 17991 5700 1 10 . 1 1 93 93 GLU H H 93 7.971 7.971 8.157 -0.186 17991 5701 1 10 . 1 1 94 94 LYS N N 94 118.470 118.470 118.343 0.127 17991 5702 1 10 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.213 -0.047 17991 5703 1 10 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.825 1.221 17991 5704 1 10 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.482 -0.135 17991 5705 1 10 . 1 1 94 94 LYS H H 94 7.804 7.804 7.978 -0.174 17991 5706 1 10 . 1 1 95 95 LEU N N 95 118.397 118.397 121.715 -3.318 17991 5707 1 10 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.668 -0.509 17991 5708 1 10 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.359 0.518 17991 5709 1 10 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.227 -0.278 17991 5710 1 10 . 1 1 95 95 LEU H H 95 8.256 8.256 7.836 0.420 17991 5711 1 10 . 1 1 96 96 LYS N N 96 117.747 117.747 119.228 -1.481 17991 5712 1 10 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.013 -0.073 17991 5713 1 10 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.620 0.662 17991 5714 1 10 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.974 0.375 17991 5715 1 10 . 1 1 96 96 LYS H H 96 8.105 8.105 8.735 -0.630 17991 5716 1 10 . 1 1 97 97 LYS N N 97 116.451 116.451 119.787 -3.336 17991 5717 1 10 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.186 -0.019 17991 5718 1 10 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.558 0.985 17991 5719 1 10 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.140 0.011 17991 5720 1 10 . 1 1 97 97 LYS H H 97 7.520 7.520 7.583 -0.063 17991 5721 1 10 . 1 1 98 98 ILE N N 98 117.587 117.587 123.052 -5.465 17991 5722 1 10 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.747 0.183 17991 5723 1 10 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.824 0.475 17991 5724 1 10 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.026 -0.277 17991 5725 1 10 . 1 1 98 98 ILE H H 98 7.782 7.782 8.429 -0.647 17991 5726 1 10 . 1 1 99 99 VAL N N 99 116.989 116.989 119.907 -2.918 17991 5727 1 10 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.664 0.161 17991 5728 1 10 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.111 0.852 17991 5729 1 10 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.819 -0.337 17991 5730 1 10 . 1 1 99 99 VAL H H 99 7.917 7.917 7.549 0.368 17991 5731 1 10 . 1 1 100 100 GLU N N 100 116.782 116.782 119.413 -2.631 17991 5732 1 10 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.182 0.031 17991 5733 1 10 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.127 -0.153 17991 5734 1 10 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.363 -1.440 17991 5735 1 10 . 1 1 100 100 GLU H H 100 7.702 7.702 8.226 -0.524 17991 5736 1 10 . 1 1 101 101 LEU N N 101 118.218 118.218 120.079 -1.861 17991 5737 1 10 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.360 -0.205 17991 5738 1 10 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.480 -0.744 17991 5739 1 10 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.383 -1.344 17991 5740 1 10 . 1 1 101 101 LEU H H 101 7.751 7.751 7.698 0.053 17991 5741 1 10 . 1 1 102 102 ILE N N 102 119.412 119.412 117.339 2.073 17991 5742 1 10 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.486 -0.759 17991 5743 1 10 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.971 2.838 17991 5744 1 10 . 1 1 102 102 ILE H H 102 7.559 7.559 8.262 -0.703 17991 5745 1 10 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.334 0.253 17991 5746 1 10 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.240 0.049 17991 5747 1 10 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.878 0.008 17991 5748 1 10 . 1 1 104 104 SER N N 104 112.794 112.794 113.546 -0.752 17991 5749 1 10 . 1 1 104 104 SER HA H 104 4.571 4.571 4.338 0.233 17991 5750 1 10 . 1 1 104 104 SER CA C 104 59.286 59.286 61.362 -2.076 17991 5751 1 10 . 1 1 104 104 SER CB C 104 63.849 63.849 63.075 0.774 17991 5752 1 10 . 1 1 104 104 SER H H 104 8.100 8.100 8.488 -0.388 17991 5753 1 10 . 1 1 105 105 THR N N 105 114.655 114.655 113.096 1.559 17991 5754 1 10 . 1 1 105 105 THR HA H 105 4.318 4.318 4.364 -0.046 17991 5755 1 10 . 1 1 105 105 THR CA C 105 64.056 64.056 64.149 -0.093 17991 5756 1 10 . 1 1 105 105 THR CB C 105 69.861 69.861 69.199 0.662 17991 5757 1 10 . 1 1 105 105 THR H H 105 8.186 8.186 7.590 0.596 17991 5758 1 10 . 1 1 106 106 SER N N 106 116.165 116.165 118.214 -2.049 17991 5759 1 10 . 1 1 106 106 SER HA H 106 4.344 4.344 4.144 0.200 17991 5760 1 10 . 1 1 106 106 SER CA C 106 60.864 60.864 61.811 -0.947 17991 5761 1 10 . 1 1 106 106 SER CB C 106 63.462 63.462 62.502 0.960 17991 5762 1 10 . 1 1 106 106 SER H H 106 8.200 8.200 8.051 0.149 17991 5763 1 10 . 1 1 107 107 SER N N 107 116.732 116.732 118.227 -1.495 17991 5764 1 10 . 1 1 107 107 SER HA H 107 4.413 4.413 4.251 0.162 17991 5765 1 10 . 1 1 107 107 SER CA C 107 60.051 60.051 60.748 -0.697 17991 5766 1 10 . 1 1 107 107 SER CB C 107 63.921 63.921 62.892 1.029 17991 5767 1 10 . 1 1 107 107 SER H H 107 8.114 8.114 8.054 0.060 17991 5768 1 10 . 1 1 108 108 ALA N N 108 122.523 122.523 122.261 0.262 17991 5769 1 10 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.337 0.097 17991 5770 1 10 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.531 -0.049 17991 5771 1 10 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.874 0.457 17991 5772 1 10 . 1 1 108 108 ALA H H 108 8.022 8.022 8.053 -0.031 17991 5773 1 10 . 1 1 109 109 VAL N N 109 117.146 117.146 121.200 -4.054 17991 5774 1 10 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.656 0.132 17991 5775 1 10 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.734 -1.899 17991 5776 1 10 . 1 1 109 109 VAL H H 109 7.829 7.829 8.363 -0.534 17991 5777 1 10 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.287 0.193 17991 5778 1 10 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.927 0.518 17991 5779 1 10 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.164 0.215 17991 5780 1 10 . 1 1 111 111 LEU N N 111 117.393 117.393 118.846 -1.453 17991 5781 1 10 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.255 -0.042 17991 5782 1 10 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.572 1.210 17991 5783 1 10 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.136 0.312 17991 5784 1 10 . 1 1 111 111 LEU H H 111 7.538 7.538 7.550 -0.012 17991 5785 1 10 . 1 1 112 112 ILE N N 112 117.001 117.001 119.552 -2.551 17991 5786 1 10 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.668 0.333 17991 5787 1 10 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.166 1.460 17991 5788 1 10 . 1 1 112 112 ILE H H 112 8.118 8.118 8.663 -0.545 17991 5789 1 10 . 1 1 113 113 GLY N N 113 106.840 106.840 108.603 -1.763 17991 5790 1 10 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.097 0.675 17991 5791 1 10 . 1 1 113 113 GLY H H 113 8.409 8.409 8.411 -0.002 17991 5792 1 10 . 1 1 114 114 LYS N N 114 120.736 120.736 121.581 -0.845 17991 5793 1 10 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.979 0.141 17991 5794 1 10 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.929 0.209 17991 5795 1 10 . 1 1 114 114 LYS H H 114 7.847 7.847 7.239 0.608 17991 5796 1 10 . 1 1 115 115 TYR N N 115 117.055 117.055 117.479 -0.424 17991 5797 1 10 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.607 -0.335 17991 5798 1 10 . 1 1 115 115 TYR CA C 115 60.430 60.430 58.542 1.887 17991 5799 1 10 . 1 1 115 115 TYR H H 115 7.891 7.891 7.616 0.275 17991 5800 1 10 . 1 1 116 116 MET H H 116 8.170 8.170 7.748 0.422 17991 5801 1 10 . 1 1 117 117 LEU N N 117 117.768 117.768 118.356 -0.588 17991 5802 1 10 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.014 -0.105 17991 5803 1 10 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.978 0.616 17991 5804 1 10 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.621 -0.285 17991 5805 1 10 . 1 1 117 117 LEU H H 117 7.781 7.781 7.717 0.064 17991 5806 1 10 . 1 1 118 118 PHE N N 118 118.204 118.204 119.659 -1.455 17991 5807 1 10 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.115 0.313 17991 5808 1 10 . 1 1 118 118 PHE CA C 118 60.735 60.735 62.194 -1.459 17991 5809 1 10 . 1 1 118 118 PHE H H 118 8.024 8.024 7.757 0.267 17991 5810 1 10 . 1 1 119 119 THR N N 119 114.941 114.941 114.586 0.355 17991 5811 1 10 . 1 1 119 119 THR HA H 119 3.972 3.972 4.045 -0.073 17991 5812 1 10 . 1 1 119 119 THR CA C 119 67.518 67.518 66.641 0.877 17991 5813 1 10 . 1 1 119 119 THR CB C 119 69.194 69.194 68.549 0.645 17991 5814 1 10 . 1 1 119 119 THR H H 119 8.171 8.171 7.928 0.243 17991 5815 1 10 . 1 1 120 120 LYS N N 120 121.758 121.758 121.295 0.463 17991 5816 1 10 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.999 -0.019 17991 5817 1 10 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.599 1.211 17991 5818 1 10 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.388 0.127 17991 5819 1 10 . 1 1 120 120 LYS H H 120 8.359 8.359 7.554 0.805 17991 5820 1 10 . 1 1 121 121 GLU N N 121 117.504 117.504 116.829 0.675 17991 5821 1 10 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.225 -0.011 17991 5822 1 10 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.105 1.135 17991 5823 1 10 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.078 -1.695 17991 5824 1 10 . 1 1 121 121 GLU H H 121 8.222 8.222 7.776 0.446 17991 5825 1 10 . 1 1 122 122 PHE N N 122 121.586 121.586 119.562 2.024 17991 5826 1 10 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.502 -0.208 17991 5827 1 10 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.554 1.020 17991 5828 1 10 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.524 -1.165 17991 5829 1 10 . 1 1 122 122 PHE H H 122 8.562 8.562 7.975 0.587 17991 5830 1 10 . 1 1 123 123 VAL N N 123 121.558 121.558 119.219 2.339 17991 5831 1 10 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.721 -0.205 17991 5832 1 10 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.706 0.903 17991 5833 1 10 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.773 0.688 17991 5834 1 10 . 1 1 123 123 VAL H H 123 8.784 8.784 8.076 0.708 17991 5835 1 10 . 1 1 124 124 GLU N N 124 118.314 118.314 119.894 -1.580 17991 5836 1 10 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.063 -0.021 17991 5837 1 10 . 1 1 124 124 GLU CA C 124 60.207 60.207 58.959 1.248 17991 5838 1 10 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.003 -0.578 17991 5839 1 10 . 1 1 124 124 GLU H H 124 8.564 8.564 8.099 0.465 17991 5840 1 10 . 1 1 125 125 SER N N 125 114.779 114.779 115.575 -0.796 17991 5841 1 10 . 1 1 125 125 SER HA H 125 4.265 4.265 4.005 0.260 17991 5842 1 10 . 1 1 125 125 SER CA C 125 62.342 62.342 61.784 0.558 17991 5843 1 10 . 1 1 125 125 SER CB C 125 63.162 63.162 62.745 0.417 17991 5844 1 10 . 1 1 125 125 SER H H 125 8.348 8.348 8.192 0.156 17991 5845 1 10 . 1 1 126 126 SER N N 126 118.464 118.464 117.476 0.988 17991 5846 1 10 . 1 1 126 126 SER HA H 126 4.069 4.069 4.250 -0.181 17991 5847 1 10 . 1 1 126 126 SER CA C 126 62.846 62.846 61.319 1.526 17991 5848 1 10 . 1 1 126 126 SER H H 126 8.144 8.144 7.618 0.526 17991 5849 1 10 . 1 1 127 127 ILE N N 127 124.705 124.705 120.446 4.259 17991 5850 1 10 . 1 1 127 127 ILE HA H 127 3.681 3.681 3.910 -0.229 17991 5851 1 10 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.676 1.965 17991 5852 1 10 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.994 0.040 17991 5853 1 10 . 1 1 127 127 ILE H H 127 8.280 8.280 7.641 0.639 17991 5854 1 10 . 1 1 128 128 LYS N N 128 119.907 119.907 119.413 0.494 17991 5855 1 10 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.112 0.773 17991 5856 1 10 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.122 0.126 17991 5857 1 10 . 1 1 128 128 LYS H H 128 7.741 7.741 7.413 0.328 17991 5858 1 10 . 1 1 129 129 ILE N N 129 118.807 118.807 116.066 2.741 17991 5859 1 10 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.931 0.176 17991 5860 1 10 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.371 0.021 17991 5861 1 10 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.668 -0.618 17991 5862 1 10 . 1 1 129 129 ILE H H 129 8.215 8.215 7.330 0.885 17991 5863 1 10 . 1 1 130 130 THR N N 130 117.328 117.328 115.024 2.304 17991 5864 1 10 . 1 1 130 130 THR HA H 130 3.921 3.921 3.755 0.166 17991 5865 1 10 . 1 1 130 130 THR CA C 130 68.210 68.210 65.964 2.246 17991 5866 1 10 . 1 1 130 130 THR H H 130 7.988 7.988 7.563 0.425 17991 5867 1 10 . 1 1 131 131 GLU N N 131 118.968 118.968 121.094 -2.126 17991 5868 1 10 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.982 -0.004 17991 5869 1 10 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.750 0.850 17991 5870 1 10 . 1 1 131 131 GLU H H 131 8.439 8.439 7.954 0.485 17991 5871 1 10 . 1 1 132 132 GLU N N 132 118.712 118.712 117.890 0.822 17991 5872 1 10 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.255 -0.029 17991 5873 1 10 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.176 1.091 17991 5874 1 10 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.240 -1.621 17991 5875 1 10 . 1 1 132 132 GLU H H 132 7.987 7.987 7.842 0.145 17991 5876 1 10 . 1 1 133 133 VAL N N 133 120.060 120.060 120.300 -0.240 17991 5877 1 10 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.015 -0.148 17991 5878 1 10 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.838 2.492 17991 5879 1 10 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.235 -0.079 17991 5880 1 10 . 1 1 133 133 VAL H H 133 8.341 8.341 7.546 0.795 17991 5881 1 10 . 1 1 134 134 ILE N N 134 119.699 119.699 121.815 -2.116 17991 5882 1 10 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.696 0.164 17991 5883 1 10 . 1 1 134 134 ILE CA C 134 65.184 65.184 64.626 0.558 17991 5884 1 10 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.586 0.316 17991 5885 1 10 . 1 1 134 134 ILE H H 134 8.331 8.331 8.563 -0.232 17991 5886 1 10 . 1 1 135 135 ASN N N 135 117.396 117.396 116.447 0.949 17991 5887 1 10 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.441 0.234 17991 5888 1 10 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.990 -0.485 17991 5889 1 10 . 1 1 135 135 ASN CB C 135 39.127 39.127 37.957 1.170 17991 5890 1 10 . 1 1 135 135 ASN H H 135 8.318 8.318 8.311 0.007 17991 5891 1 10 . 1 1 136 136 THR N N 136 111.419 111.419 113.803 -2.384 17991 5892 1 10 . 1 1 136 136 THR HA H 136 4.308 4.308 4.319 -0.011 17991 5893 1 10 . 1 1 136 136 THR CA C 136 63.872 63.872 65.223 -1.351 17991 5894 1 10 . 1 1 136 136 THR CB C 136 69.779 69.779 68.777 1.002 17991 5895 1 10 . 1 1 136 136 THR H H 136 8.006 8.006 7.976 0.030 17991 5896 1 10 . 1 1 137 137 HIS N N 137 118.612 118.612 121.393 -2.781 17991 5897 1 10 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.189 0.514 17991 5898 1 10 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.821 -3.361 17991 5899 1 10 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.076 -1.364 17991 5900 1 10 . 1 1 137 137 HIS H H 137 8.013 8.013 7.966 0.047 17991 5901 1 10 . 1 1 138 138 HIS N N 138 118.709 118.709 117.572 1.137 17991 5902 1 10 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.231 0.595 17991 5903 1 10 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.563 -3.049 17991 5904 1 10 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.334 -1.089 17991 5905 1 10 . 1 1 138 138 HIS H H 138 8.169 8.169 8.295 -0.126 17991 5906 1 10 . 1 1 139 139 ARG N N 139 123.025 123.025 119.056 3.969 17991 5907 1 10 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.893 0.673 17991 5908 1 10 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.031 -1.637 17991 5909 1 10 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.755 0.266 17991 5910 1 10 . 1 1 139 139 ARG H H 139 8.419 8.419 8.161 0.258 17991 5911 1 11 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.717 0.021 17991 5912 1 11 . 1 1 8 8 HIS CA C 8 55.776 55.776 54.642 1.134 17991 5913 1 11 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.244 -0.900 17991 5914 1 11 . 1 1 8 8 HIS H H 8 8.686 8.686 7.745 0.941 17991 5915 1 11 . 1 1 9 9 ALA N N 9 124.079 124.079 125.809 -1.730 17991 5916 1 11 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.366 0.021 17991 5917 1 11 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.506 0.781 17991 5918 1 11 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.648 -1.473 17991 5919 1 11 . 1 1 9 9 ALA H H 9 8.457 8.457 8.412 0.045 17991 5920 1 11 . 1 1 10 10 MET N N 10 120.430 120.430 119.228 1.202 17991 5921 1 11 . 1 1 10 10 MET HA H 10 4.390 4.390 4.398 -0.008 17991 5922 1 11 . 1 1 10 10 MET CA C 10 57.753 57.753 58.176 -0.423 17991 5923 1 11 . 1 1 10 10 MET CB C 10 32.355 32.355 33.071 -0.716 17991 5924 1 11 . 1 1 10 10 MET H H 10 8.545 8.545 8.283 0.262 17991 5925 1 11 . 1 1 11 11 VAL N N 11 119.159 119.159 114.410 4.749 17991 5926 1 11 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.149 -0.133 17991 5927 1 11 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.425 0.846 17991 5928 1 11 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.654 -0.043 17991 5929 1 11 . 1 1 11 11 VAL H H 11 8.339 8.339 7.968 0.371 17991 5930 1 11 . 1 1 12 12 ILE N N 12 119.461 119.461 120.771 -1.310 17991 5931 1 11 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.118 -0.165 17991 5932 1 11 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.749 0.584 17991 5933 1 11 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.371 -0.875 17991 5934 1 11 . 1 1 12 12 ILE H H 12 7.705 7.705 7.942 -0.237 17991 5935 1 11 . 1 1 13 13 ASP N N 13 119.460 119.460 119.890 -0.430 17991 5936 1 11 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.536 -0.152 17991 5937 1 11 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.530 0.994 17991 5938 1 11 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.059 -1.647 17991 5939 1 11 . 1 1 13 13 ASP H H 13 8.172 8.172 7.845 0.327 17991 5940 1 11 . 1 1 14 14 HIS N N 14 116.421 116.421 119.014 -2.593 17991 5941 1 11 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.485 0.055 17991 5942 1 11 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.770 -0.022 17991 5943 1 11 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.609 -1.957 17991 5944 1 11 . 1 1 14 14 HIS H H 14 8.138 8.138 7.611 0.527 17991 5945 1 11 . 1 1 15 15 ILE N N 15 119.970 119.970 120.237 -0.267 17991 5946 1 11 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.760 0.048 17991 5947 1 11 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.492 0.912 17991 5948 1 11 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.756 0.031 17991 5949 1 11 . 1 1 15 15 ILE H H 15 8.224 8.224 7.766 0.458 17991 5950 1 11 . 1 1 16 16 LEU N N 16 118.635 118.635 121.248 -2.613 17991 5951 1 11 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.349 0.643 17991 5952 1 11 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.003 0.783 17991 5953 1 11 . 1 1 16 16 LEU H H 16 8.480 8.480 7.752 0.728 17991 5954 1 11 . 1 1 17 17 LYS N N 17 118.257 118.257 118.459 -0.202 17991 5955 1 11 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.084 0.010 17991 5956 1 11 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.371 0.511 17991 5957 1 11 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.809 0.407 17991 5958 1 11 . 1 1 17 17 LYS H H 17 8.098 8.098 7.878 0.220 17991 5959 1 11 . 1 1 18 18 CYS N N 18 117.220 117.220 117.416 -0.196 17991 5960 1 11 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.227 0.102 17991 5961 1 11 . 1 1 18 18 CYS CA C 18 63.218 63.218 63.004 0.214 17991 5962 1 11 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.653 -0.831 17991 5963 1 11 . 1 1 18 18 CYS H H 18 7.899 7.899 7.884 0.015 17991 5964 1 11 . 1 1 19 19 VAL N N 19 118.929 118.929 120.052 -1.123 17991 5965 1 11 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.989 -0.264 17991 5966 1 11 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.201 1.879 17991 5967 1 11 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.907 0.150 17991 5968 1 11 . 1 1 19 19 VAL H H 19 8.352 8.352 7.302 1.050 17991 5969 1 11 . 1 1 20 20 PHE N N 20 120.244 120.244 120.128 0.116 17991 5970 1 11 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.371 -0.097 17991 5971 1 11 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.582 2.044 17991 5972 1 11 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.826 0.254 17991 5973 1 11 . 1 1 20 20 PHE H H 20 8.791 8.791 8.659 0.132 17991 5974 1 11 . 1 1 21 21 ASP N N 21 118.761 118.761 120.276 -1.515 17991 5975 1 11 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.451 -0.088 17991 5976 1 11 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.283 0.234 17991 5977 1 11 . 1 1 21 21 ASP CB C 21 40.068 40.068 41.129 -1.061 17991 5978 1 11 . 1 1 21 21 ASP H H 21 8.705 8.705 8.149 0.556 17991 5979 1 11 . 1 1 22 22 LYS N N 22 118.200 118.200 120.011 -1.811 17991 5980 1 11 . 1 1 22 22 LYS HA H 22 4.194 4.194 3.950 0.244 17991 5981 1 11 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.411 -0.818 17991 5982 1 11 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.277 0.022 17991 5983 1 11 . 1 1 22 22 LYS H H 22 7.810 7.810 7.470 0.340 17991 5984 1 11 . 1 1 23 23 ILE N N 23 118.534 118.534 119.542 -1.008 17991 5985 1 11 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.702 0.079 17991 5986 1 11 . 1 1 23 23 ILE CA C 23 65.096 65.096 65.203 -0.107 17991 5987 1 11 . 1 1 23 23 ILE H H 23 8.351 8.351 7.594 0.757 17991 5988 1 11 . 1 1 24 24 CYS N N 24 117.155 117.155 115.079 2.076 17991 5989 1 11 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.276 -0.227 17991 5990 1 11 . 1 1 24 24 CYS CA C 24 63.499 63.499 60.940 2.559 17991 5991 1 11 . 1 1 24 24 CYS CB C 24 26.626 26.626 26.800 -0.174 17991 5992 1 11 . 1 1 24 24 CYS H H 24 8.203 8.203 7.779 0.424 17991 5993 1 11 . 1 1 25 25 LYS N N 25 119.995 119.995 122.715 -2.720 17991 5994 1 11 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.624 -0.862 17991 5995 1 11 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.427 -0.042 17991 5996 1 11 . 1 1 25 25 LYS H H 25 7.760 7.760 7.278 0.482 17991 5997 1 11 . 1 1 26 26 ILE N N 26 119.168 119.168 117.750 1.418 17991 5998 1 11 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.933 0.041 17991 5999 1 11 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.211 1.895 17991 6000 1 11 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.156 -0.600 17991 6001 1 11 . 1 1 26 26 ILE H H 26 8.055 8.055 7.902 0.153 17991 6002 1 11 . 1 1 27 27 GLY N N 27 108.257 108.257 107.793 0.464 17991 6003 1 11 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.783 -0.794 17991 6004 1 11 . 1 1 27 27 GLY H H 27 8.568 8.568 8.063 0.505 17991 6005 1 11 . 1 1 28 28 THR N N 28 112.727 112.727 113.566 -0.839 17991 6006 1 11 . 1 1 28 28 THR HA H 28 3.912 3.912 4.023 -0.111 17991 6007 1 11 . 1 1 28 28 THR CA C 28 64.717 64.717 65.282 -0.565 17991 6008 1 11 . 1 1 28 28 THR CB C 28 69.375 69.375 68.073 1.302 17991 6009 1 11 . 1 1 28 28 THR H H 28 8.059 8.059 7.595 0.464 17991 6010 1 11 . 1 1 29 29 GLU N N 29 120.068 120.068 120.414 -0.346 17991 6011 1 11 . 1 1 29 29 GLU CA C 29 57.604 57.604 59.368 -1.764 17991 6012 1 11 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.067 0.026 17991 6013 1 11 . 1 1 29 29 GLU H H 29 8.113 8.113 8.101 0.012 17991 6014 1 11 . 1 1 30 30 SER N N 30 114.882 114.882 115.077 -0.195 17991 6015 1 11 . 1 1 30 30 SER HA H 30 4.374 4.374 4.159 0.215 17991 6016 1 11 . 1 1 30 30 SER CA C 30 60.353 60.353 60.677 -0.324 17991 6017 1 11 . 1 1 30 30 SER H H 30 8.060 8.060 7.625 0.435 17991 6018 1 11 . 1 1 31 31 VAL N N 31 122.098 122.098 120.517 1.581 17991 6019 1 11 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.752 0.265 17991 6020 1 11 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.840 -1.213 17991 6021 1 11 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.344 0.641 17991 6022 1 11 . 1 1 31 31 VAL H H 31 8.127 8.127 7.631 0.496 17991 6023 1 11 . 1 1 32 32 GLU N N 32 120.280 120.280 120.284 -0.004 17991 6024 1 11 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.101 0.217 17991 6025 1 11 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.643 -1.756 17991 6026 1 11 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.447 -0.794 17991 6027 1 11 . 1 1 32 32 GLU H H 32 8.243 8.243 7.485 0.758 17991 6028 1 11 . 1 1 33 33 ALA N N 33 121.715 121.715 121.356 0.359 17991 6029 1 11 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.026 0.163 17991 6030 1 11 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.506 0.218 17991 6031 1 11 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.857 0.871 17991 6032 1 11 . 1 1 33 33 ALA H H 33 8.218 8.218 7.494 0.724 17991 6033 1 11 . 1 1 34 34 GLY N N 34 104.656 104.656 105.820 -1.164 17991 6034 1 11 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.622 0.452 17991 6035 1 11 . 1 1 34 34 GLY H H 34 8.308 8.308 7.943 0.365 17991 6036 1 11 . 1 1 35 35 ARG N N 35 119.958 119.958 121.822 -1.864 17991 6037 1 11 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.354 -0.078 17991 6038 1 11 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.420 1.605 17991 6039 1 11 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.895 0.393 17991 6040 1 11 . 1 1 35 35 ARG H H 35 7.975 7.975 7.475 0.500 17991 6041 1 11 . 1 1 36 36 LEU N N 36 118.931 118.931 121.171 -2.240 17991 6042 1 11 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.074 0.150 17991 6043 1 11 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.382 -0.579 17991 6044 1 11 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.962 0.231 17991 6045 1 11 . 1 1 36 36 LEU H H 36 7.958 7.958 8.540 -0.582 17991 6046 1 11 . 1 1 37 37 ILE N N 37 118.087 118.087 118.032 0.055 17991 6047 1 11 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.802 0.129 17991 6048 1 11 . 1 1 37 37 ILE CA C 37 63.859 63.859 62.848 1.011 17991 6049 1 11 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.948 0.091 17991 6050 1 11 . 1 1 37 37 ILE H H 37 7.904 7.904 7.603 0.301 17991 6051 1 11 . 1 1 38 38 GLU N N 38 120.989 120.989 121.556 -0.567 17991 6052 1 11 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.954 0.277 17991 6053 1 11 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.853 -1.408 17991 6054 1 11 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.352 -0.341 17991 6055 1 11 . 1 1 38 38 GLU H H 38 8.041 8.041 7.631 0.410 17991 6056 1 11 . 1 1 39 39 LEU N N 39 120.111 120.111 118.586 1.525 17991 6057 1 11 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.016 0.255 17991 6058 1 11 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.785 -0.374 17991 6059 1 11 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.975 1.320 17991 6060 1 11 . 1 1 39 39 LEU H H 39 8.173 8.173 7.988 0.185 17991 6061 1 11 . 1 1 40 40 SER N N 40 113.806 113.806 114.300 -0.494 17991 6062 1 11 . 1 1 40 40 SER HA H 40 4.312 4.312 4.263 0.049 17991 6063 1 11 . 1 1 40 40 SER CA C 40 60.406 60.406 60.827 -0.421 17991 6064 1 11 . 1 1 40 40 SER CB C 40 63.646 63.646 63.490 0.156 17991 6065 1 11 . 1 1 40 40 SER H H 40 8.031 8.031 7.432 0.599 17991 6066 1 11 . 1 1 41 41 GLN N N 41 120.139 120.139 120.696 -0.557 17991 6067 1 11 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.080 0.316 17991 6068 1 11 . 1 1 41 41 GLN CA C 41 56.601 56.601 58.333 -1.732 17991 6069 1 11 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.576 -0.191 17991 6070 1 11 . 1 1 41 41 GLN H H 41 7.956 7.956 7.706 0.250 17991 6071 1 11 . 1 1 42 42 GLU N N 42 119.728 119.728 115.793 3.935 17991 6072 1 11 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.444 -0.071 17991 6073 1 11 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.812 0.277 17991 6074 1 11 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.326 -0.971 17991 6075 1 11 . 1 1 42 42 GLU H H 42 8.114 8.114 8.398 -0.284 17991 6076 1 11 . 1 1 43 43 GLY N N 43 108.655 108.655 106.582 2.073 17991 6077 1 11 . 1 1 43 43 GLY CA C 43 45.623 45.623 44.740 0.883 17991 6078 1 11 . 1 1 43 43 GLY H H 43 8.325 8.325 7.570 0.755 17991 6079 1 11 . 1 1 44 44 GLY N N 44 107.872 107.872 107.402 0.470 17991 6080 1 11 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.554 0.933 17991 6081 1 11 . 1 1 44 44 GLY H H 44 8.105 8.105 8.005 0.100 17991 6082 1 11 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.391 2.004 17991 6083 1 11 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.505 -0.036 17991 6084 1 11 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.189 1.240 17991 6085 1 11 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.069 0.252 17991 6086 1 11 . 1 1 50 50 LEU N N 50 116.864 116.864 118.220 -1.356 17991 6087 1 11 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.390 -0.188 17991 6088 1 11 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.200 1.349 17991 6089 1 11 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.233 1.466 17991 6090 1 11 . 1 1 50 50 LEU H H 50 8.336 8.336 8.186 0.150 17991 6091 1 11 . 1 1 51 51 TYR N N 51 118.433 118.433 121.842 -3.409 17991 6092 1 11 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.118 0.047 17991 6093 1 11 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.633 -0.599 17991 6094 1 11 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.228 0.256 17991 6095 1 11 . 1 1 51 51 TYR H H 51 7.765 7.765 7.790 -0.025 17991 6096 1 11 . 1 1 52 52 PHE N N 52 117.945 117.945 119.809 -1.864 17991 6097 1 11 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.783 0.477 17991 6098 1 11 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.493 -0.242 17991 6099 1 11 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.140 0.179 17991 6100 1 11 . 1 1 52 52 PHE H H 52 7.873 7.873 7.829 0.044 17991 6101 1 11 . 1 1 53 53 VAL N N 53 117.468 117.468 118.787 -1.319 17991 6102 1 11 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.182 0.470 17991 6103 1 11 . 1 1 53 53 VAL CA C 53 66.298 66.298 66.188 0.110 17991 6104 1 11 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.769 0.041 17991 6105 1 11 . 1 1 53 53 VAL H H 53 7.864 7.864 7.489 0.375 17991 6106 1 11 . 1 1 54 54 VAL N N 54 116.929 116.929 120.563 -3.634 17991 6107 1 11 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.651 0.051 17991 6108 1 11 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.557 -0.490 17991 6109 1 11 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.117 0.684 17991 6110 1 11 . 1 1 54 54 VAL H H 54 7.958 7.958 8.284 -0.326 17991 6111 1 11 . 1 1 55 55 ASN N N 55 115.543 115.543 117.595 -2.052 17991 6112 1 11 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.459 0.171 17991 6113 1 11 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.481 -0.021 17991 6114 1 11 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.890 1.039 17991 6115 1 11 . 1 1 55 55 ASN H H 55 7.823 7.823 7.890 -0.067 17991 6116 1 11 . 1 1 56 56 VAL N N 56 116.125 116.125 119.763 -3.638 17991 6117 1 11 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.739 0.358 17991 6118 1 11 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.147 -1.008 17991 6119 1 11 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.922 0.081 17991 6120 1 11 . 1 1 56 56 VAL H H 56 7.664 7.664 7.667 -0.003 17991 6121 1 11 . 1 1 57 57 ILE N N 57 116.872 116.872 118.525 -1.653 17991 6122 1 11 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.809 0.200 17991 6123 1 11 . 1 1 57 57 ILE CA C 57 63.550 63.550 63.012 0.538 17991 6124 1 11 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.571 1.192 17991 6125 1 11 . 1 1 57 57 ILE H H 57 7.587 7.587 8.139 -0.552 17991 6126 1 11 . 1 1 58 58 GLU N N 58 118.190 118.190 120.399 -2.209 17991 6127 1 11 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.113 0.086 17991 6128 1 11 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.821 -1.516 17991 6129 1 11 . 1 1 58 58 GLU H H 58 8.114 8.114 7.612 0.502 17991 6130 1 11 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.336 0.173 17991 6131 1 11 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.836 0.726 17991 6132 1 11 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.194 0.272 17991 6133 1 11 . 1 1 60 60 CYS N N 60 115.035 115.035 117.938 -2.903 17991 6134 1 11 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.163 0.105 17991 6135 1 11 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.809 -0.696 17991 6136 1 11 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.752 -0.762 17991 6137 1 11 . 1 1 60 60 CYS H H 60 7.913 7.913 7.526 0.387 17991 6138 1 11 . 1 1 61 61 LYS N N 61 121.184 121.184 120.318 0.866 17991 6139 1 11 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.864 0.408 17991 6140 1 11 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.910 -0.821 17991 6141 1 11 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.183 0.245 17991 6142 1 11 . 1 1 61 61 LYS H H 61 8.197 8.197 7.982 0.215 17991 6143 1 11 . 1 1 62 62 LYS N N 62 118.253 118.253 116.718 1.535 17991 6144 1 11 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.080 -1.236 17991 6145 1 11 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.355 -0.265 17991 6146 1 11 . 1 1 62 62 LYS H H 62 7.982 7.982 8.074 -0.092 17991 6147 1 11 . 1 1 63 63 PHE N N 63 118.763 118.763 118.233 0.530 17991 6148 1 11 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.621 -0.366 17991 6149 1 11 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.386 1.148 17991 6150 1 11 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.613 -0.463 17991 6151 1 11 . 1 1 63 63 PHE H H 63 8.155 8.155 7.641 0.514 17991 6152 1 11 . 1 1 64 64 SER N N 64 114.881 114.881 117.941 -3.060 17991 6153 1 11 . 1 1 64 64 SER HA H 64 4.268 4.268 3.675 0.593 17991 6154 1 11 . 1 1 64 64 SER CA C 64 61.588 61.588 61.816 -0.228 17991 6155 1 11 . 1 1 64 64 SER CB C 64 63.175 63.175 62.771 0.404 17991 6156 1 11 . 1 1 64 64 SER H H 64 8.218 8.218 8.201 0.017 17991 6157 1 11 . 1 1 65 65 GLU N N 65 120.937 120.937 120.573 0.364 17991 6158 1 11 . 1 1 65 65 GLU HA H 65 4.284 4.284 3.968 0.316 17991 6159 1 11 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.957 -0.746 17991 6160 1 11 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.429 -0.467 17991 6161 1 11 . 1 1 65 65 GLU H H 65 8.067 8.067 7.687 0.380 17991 6162 1 11 . 1 1 66 66 LEU N N 66 118.904 118.904 118.046 0.858 17991 6163 1 11 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.073 0.190 17991 6164 1 11 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.181 0.041 17991 6165 1 11 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.525 0.800 17991 6166 1 11 . 1 1 66 66 LEU H H 66 8.003 8.003 8.048 -0.045 17991 6167 1 11 . 1 1 67 67 THR N N 67 108.190 108.190 113.191 -5.001 17991 6168 1 11 . 1 1 67 67 THR HA H 67 4.043 4.043 4.043 -0.000 17991 6169 1 11 . 1 1 67 67 THR CA C 67 64.579 64.579 65.989 -1.410 17991 6170 1 11 . 1 1 67 67 THR CB C 67 69.410 69.410 68.197 1.213 17991 6171 1 11 . 1 1 67 67 THR H H 67 7.783 7.783 7.456 0.327 17991 6172 1 11 . 1 1 68 68 GLY N N 68 108.141 108.141 107.148 0.993 17991 6173 1 11 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.315 0.929 17991 6174 1 11 . 1 1 68 68 GLY H H 68 7.964 7.964 7.378 0.586 17991 6175 1 11 . 1 1 69 69 LEU N N 69 120.124 120.124 121.241 -1.117 17991 6176 1 11 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.649 -0.297 17991 6177 1 11 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.767 0.719 17991 6178 1 11 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.724 -0.350 17991 6179 1 11 . 1 1 69 69 LEU H H 69 7.749 7.749 7.470 0.279 17991 6180 1 11 . 1 1 70 70 VAL N N 70 115.546 115.546 118.133 -2.587 17991 6181 1 11 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.872 0.063 17991 6182 1 11 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.591 -0.961 17991 6183 1 11 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.106 0.158 17991 6184 1 11 . 1 1 70 70 VAL H H 70 7.607 7.607 7.522 0.085 17991 6185 1 11 . 1 1 71 71 PHE N N 71 119.035 119.035 115.977 3.058 17991 6186 1 11 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.521 0.037 17991 6187 1 11 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.209 -0.662 17991 6188 1 11 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.075 -0.775 17991 6189 1 11 . 1 1 71 71 PHE H H 71 7.618 7.618 7.813 -0.195 17991 6190 1 11 . 1 1 72 72 TYR N N 72 118.365 118.365 118.180 0.185 17991 6191 1 11 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.592 -0.013 17991 6192 1 11 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.398 -1.301 17991 6193 1 11 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.276 -2.031 17991 6194 1 11 . 1 1 72 72 TYR H H 72 7.740 7.740 7.525 0.215 17991 6195 1 11 . 1 1 73 73 LEU N N 73 121.184 121.184 121.228 -0.044 17991 6196 1 11 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.800 -0.225 17991 6197 1 11 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.085 1.464 17991 6198 1 11 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.463 -1.382 17991 6199 1 11 . 1 1 73 73 LEU H H 73 7.713 7.713 7.669 0.044 17991 6200 1 11 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.702 -0.064 17991 6201 1 11 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.299 0.905 17991 6202 1 11 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.578 -0.897 17991 6203 1 11 . 1 1 75 75 THR N N 75 113.231 113.231 115.955 -2.724 17991 6204 1 11 . 1 1 75 75 THR HA H 75 4.339 4.339 4.027 0.312 17991 6205 1 11 . 1 1 75 75 THR CA C 75 62.684 62.684 64.485 -1.801 17991 6206 1 11 . 1 1 75 75 THR H H 75 8.217 8.217 8.465 -0.248 17991 6207 1 11 . 1 1 76 76 ASP N N 76 120.892 120.892 115.380 5.512 17991 6208 1 11 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.635 0.155 17991 6209 1 11 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.467 0.772 17991 6210 1 11 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.112 -1.797 17991 6211 1 11 . 1 1 76 76 ASP H H 76 8.406 8.406 7.422 0.984 17991 6212 1 11 . 1 1 77 77 SER N N 77 115.861 115.861 114.068 1.793 17991 6213 1 11 . 1 1 77 77 SER HA H 77 4.345 4.345 4.244 0.101 17991 6214 1 11 . 1 1 77 77 SER CA C 77 60.528 60.528 60.172 0.356 17991 6215 1 11 . 1 1 77 77 SER CB C 77 63.812 63.812 63.711 0.101 17991 6216 1 11 . 1 1 77 77 SER H H 77 8.238 8.238 8.474 -0.236 17991 6217 1 11 . 1 1 78 78 GLY N N 78 110.440 110.440 106.900 3.540 17991 6218 1 11 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.165 1.488 17991 6219 1 11 . 1 1 78 78 GLY H H 78 8.570 8.570 7.705 0.865 17991 6220 1 11 . 1 1 79 79 GLU N N 79 121.242 121.242 121.325 -0.083 17991 6221 1 11 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.312 0.008 17991 6222 1 11 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.676 -0.658 17991 6223 1 11 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.689 -0.607 17991 6224 1 11 . 1 1 79 79 GLU H H 79 8.237 8.237 8.372 -0.135 17991 6225 1 11 . 1 1 80 80 LYS N N 80 119.708 119.708 118.742 0.966 17991 6226 1 11 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.224 0.095 17991 6227 1 11 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.484 -0.603 17991 6228 1 11 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.192 0.554 17991 6229 1 11 . 1 1 80 80 LYS H H 80 8.252 8.252 8.337 -0.085 17991 6230 1 11 . 1 1 81 81 MET N N 81 119.849 119.849 117.138 2.711 17991 6231 1 11 . 1 1 81 81 MET HA H 81 4.367 4.367 4.326 0.041 17991 6232 1 11 . 1 1 81 81 MET CA C 81 57.845 57.845 59.349 -1.504 17991 6233 1 11 . 1 1 81 81 MET CB C 81 32.658 32.658 32.251 0.407 17991 6234 1 11 . 1 1 81 81 MET H H 81 8.419 8.419 7.967 0.452 17991 6235 1 11 . 1 1 82 82 THR N N 82 114.947 114.947 114.083 0.864 17991 6236 1 11 . 1 1 82 82 THR HA H 82 4.132 4.132 3.914 0.218 17991 6237 1 11 . 1 1 82 82 THR CA C 82 65.377 65.377 66.960 -1.583 17991 6238 1 11 . 1 1 82 82 THR CB C 82 69.035 69.035 68.511 0.524 17991 6239 1 11 . 1 1 82 82 THR H H 82 8.115 8.115 7.753 0.362 17991 6240 1 11 . 1 1 83 83 GLU N N 83 121.416 121.416 118.691 2.725 17991 6241 1 11 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.269 0.104 17991 6242 1 11 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.383 -0.319 17991 6243 1 11 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.806 -0.864 17991 6244 1 11 . 1 1 83 83 GLU H H 83 8.336 8.336 7.914 0.422 17991 6245 1 11 . 1 1 84 84 SER N N 84 115.783 115.783 113.879 1.904 17991 6246 1 11 . 1 1 84 84 SER HA H 84 4.278 4.278 4.607 -0.329 17991 6247 1 11 . 1 1 84 84 SER CA C 84 61.685 61.685 60.474 1.211 17991 6248 1 11 . 1 1 84 84 SER H H 84 8.191 8.191 7.929 0.262 17991 6249 1 11 . 1 1 85 85 LYS N N 85 121.318 121.318 121.753 -0.435 17991 6250 1 11 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.222 -0.137 17991 6251 1 11 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.930 0.858 17991 6252 1 11 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.854 -0.424 17991 6253 1 11 . 1 1 85 85 LYS H H 85 8.113 8.113 8.335 -0.222 17991 6254 1 11 . 1 1 86 86 SER N N 86 115.042 115.042 114.969 0.073 17991 6255 1 11 . 1 1 86 86 SER HA H 86 4.389 4.389 4.202 0.187 17991 6256 1 11 . 1 1 86 86 SER CA C 86 61.437 61.437 61.382 0.055 17991 6257 1 11 . 1 1 86 86 SER CB C 86 63.116 63.116 63.048 0.068 17991 6258 1 11 . 1 1 86 86 SER H H 86 8.066 8.066 7.688 0.378 17991 6259 1 11 . 1 1 87 87 VAL N N 87 122.920 122.920 120.705 2.215 17991 6260 1 11 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.842 0.538 17991 6261 1 11 . 1 1 87 87 VAL CA C 87 66.123 66.123 64.851 1.272 17991 6262 1 11 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.726 -0.347 17991 6263 1 11 . 1 1 87 87 VAL H H 87 8.103 8.103 7.710 0.393 17991 6264 1 11 . 1 1 88 88 LEU N N 88 119.501 119.501 121.110 -1.609 17991 6265 1 11 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.713 0.409 17991 6266 1 11 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.647 0.259 17991 6267 1 11 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.490 0.454 17991 6268 1 11 . 1 1 88 88 LEU H H 88 8.146 8.146 7.651 0.495 17991 6269 1 11 . 1 1 89 89 LYS N N 89 120.285 120.285 117.075 3.210 17991 6270 1 11 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.126 -0.031 17991 6271 1 11 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.053 0.834 17991 6272 1 11 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.519 -0.293 17991 6273 1 11 . 1 1 89 89 LYS H H 89 8.245 8.245 7.573 0.672 17991 6274 1 11 . 1 1 90 90 SER N N 90 115.131 115.131 114.290 0.841 17991 6275 1 11 . 1 1 90 90 SER HA H 90 4.362 4.362 4.405 -0.043 17991 6276 1 11 . 1 1 90 90 SER CA C 90 61.815 61.815 60.073 1.742 17991 6277 1 11 . 1 1 90 90 SER H H 90 8.037 8.037 7.554 0.483 17991 6278 1 11 . 1 1 91 91 LEU N N 91 120.855 120.855 122.167 -1.312 17991 6279 1 11 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.215 -0.067 17991 6280 1 11 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.658 0.755 17991 6281 1 11 . 1 1 91 91 LEU CB C 91 42.175 42.175 42.002 0.173 17991 6282 1 11 . 1 1 91 91 LEU H H 91 8.445 8.445 7.852 0.593 17991 6283 1 11 . 1 1 92 92 THR N N 92 112.933 112.933 114.893 -1.960 17991 6284 1 11 . 1 1 92 92 THR HA H 92 3.904 3.904 3.923 -0.019 17991 6285 1 11 . 1 1 92 92 THR CA C 92 67.390 67.390 66.372 1.018 17991 6286 1 11 . 1 1 92 92 THR CB C 92 69.367 69.367 68.431 0.936 17991 6287 1 11 . 1 1 92 92 THR H H 92 8.383 8.383 7.595 0.788 17991 6288 1 11 . 1 1 93 93 GLU N N 93 120.387 120.387 120.670 -0.283 17991 6289 1 11 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.835 -0.348 17991 6290 1 11 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.226 -0.081 17991 6291 1 11 . 1 1 93 93 GLU H H 93 7.971 7.971 8.404 -0.433 17991 6292 1 11 . 1 1 94 94 LYS N N 94 118.470 118.470 117.512 0.958 17991 6293 1 11 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.011 0.155 17991 6294 1 11 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.302 0.744 17991 6295 1 11 . 1 1 94 94 LYS CB C 94 32.347 32.347 31.975 0.372 17991 6296 1 11 . 1 1 94 94 LYS H H 94 7.804 7.804 7.804 0.000 17991 6297 1 11 . 1 1 95 95 LEU N N 95 118.397 118.397 118.971 -0.574 17991 6298 1 11 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.362 -0.203 17991 6299 1 11 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.819 1.058 17991 6300 1 11 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.182 -0.233 17991 6301 1 11 . 1 1 95 95 LEU H H 95 8.256 8.256 7.868 0.388 17991 6302 1 11 . 1 1 96 96 LYS N N 96 117.747 117.747 119.518 -1.771 17991 6303 1 11 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.990 -0.050 17991 6304 1 11 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.714 0.568 17991 6305 1 11 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.050 0.299 17991 6306 1 11 . 1 1 96 96 LYS H H 96 8.105 8.105 8.509 -0.404 17991 6307 1 11 . 1 1 97 97 LYS N N 97 116.451 116.451 119.182 -2.731 17991 6308 1 11 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.195 -0.028 17991 6309 1 11 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.255 1.288 17991 6310 1 11 . 1 1 97 97 LYS CB C 97 32.151 32.151 31.868 0.283 17991 6311 1 11 . 1 1 97 97 LYS H H 97 7.520 7.520 8.096 -0.576 17991 6312 1 11 . 1 1 98 98 ILE N N 98 117.587 117.587 123.123 -5.536 17991 6313 1 11 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.865 0.065 17991 6314 1 11 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.901 0.398 17991 6315 1 11 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.030 -0.281 17991 6316 1 11 . 1 1 98 98 ILE H H 98 7.782 7.782 8.533 -0.751 17991 6317 1 11 . 1 1 99 99 VAL N N 99 116.989 116.989 121.113 -4.124 17991 6318 1 11 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.752 0.073 17991 6319 1 11 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.057 0.906 17991 6320 1 11 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.461 0.021 17991 6321 1 11 . 1 1 99 99 VAL H H 99 7.917 7.917 7.495 0.422 17991 6322 1 11 . 1 1 100 100 GLU N N 100 116.782 116.782 118.896 -2.114 17991 6323 1 11 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.205 0.008 17991 6324 1 11 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.855 0.118 17991 6325 1 11 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.378 -1.455 17991 6326 1 11 . 1 1 100 100 GLU H H 100 7.702 7.702 8.229 -0.527 17991 6327 1 11 . 1 1 101 101 LEU N N 101 118.218 118.218 120.102 -1.884 17991 6328 1 11 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.386 -0.231 17991 6329 1 11 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.533 -0.798 17991 6330 1 11 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.437 -1.398 17991 6331 1 11 . 1 1 101 101 LEU H H 101 7.751 7.751 7.750 0.001 17991 6332 1 11 . 1 1 102 102 ILE N N 102 119.412 119.412 117.321 2.091 17991 6333 1 11 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.495 -0.768 17991 6334 1 11 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.994 2.815 17991 6335 1 11 . 1 1 102 102 ILE H H 102 7.559 7.559 8.291 -0.732 17991 6336 1 11 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.472 0.115 17991 6337 1 11 . 1 1 103 103 PRO CA C 103 64.289 64.289 63.963 0.326 17991 6338 1 11 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.521 0.365 17991 6339 1 11 . 1 1 104 104 SER N N 104 112.794 112.794 113.837 -1.043 17991 6340 1 11 . 1 1 104 104 SER HA H 104 4.571 4.571 4.278 0.293 17991 6341 1 11 . 1 1 104 104 SER CA C 104 59.286 59.286 60.559 -1.272 17991 6342 1 11 . 1 1 104 104 SER CB C 104 63.849 63.849 62.708 1.141 17991 6343 1 11 . 1 1 104 104 SER H H 104 8.100 8.100 8.432 -0.332 17991 6344 1 11 . 1 1 105 105 THR N N 105 114.655 114.655 117.304 -2.649 17991 6345 1 11 . 1 1 105 105 THR HA H 105 4.318 4.318 4.479 -0.161 17991 6346 1 11 . 1 1 105 105 THR CA C 105 64.056 64.056 64.029 0.027 17991 6347 1 11 . 1 1 105 105 THR CB C 105 69.861 69.861 69.250 0.611 17991 6348 1 11 . 1 1 105 105 THR H H 105 8.186 8.186 7.554 0.632 17991 6349 1 11 . 1 1 106 106 SER N N 106 116.165 116.165 117.786 -1.621 17991 6350 1 11 . 1 1 106 106 SER HA H 106 4.344 4.344 4.201 0.143 17991 6351 1 11 . 1 1 106 106 SER CA C 106 60.864 60.864 61.721 -0.857 17991 6352 1 11 . 1 1 106 106 SER CB C 106 63.462 63.462 62.884 0.578 17991 6353 1 11 . 1 1 106 106 SER H H 106 8.200 8.200 7.949 0.251 17991 6354 1 11 . 1 1 107 107 SER N N 107 116.732 116.732 118.130 -1.398 17991 6355 1 11 . 1 1 107 107 SER HA H 107 4.413 4.413 4.270 0.143 17991 6356 1 11 . 1 1 107 107 SER CA C 107 60.051 60.051 60.877 -0.826 17991 6357 1 11 . 1 1 107 107 SER CB C 107 63.921 63.921 62.850 1.071 17991 6358 1 11 . 1 1 107 107 SER H H 107 8.114 8.114 8.012 0.102 17991 6359 1 11 . 1 1 108 108 ALA N N 108 122.523 122.523 122.537 -0.014 17991 6360 1 11 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.630 -0.196 17991 6361 1 11 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.182 0.300 17991 6362 1 11 . 1 1 108 108 ALA CB C 108 19.331 19.331 19.089 0.242 17991 6363 1 11 . 1 1 108 108 ALA H H 108 8.022 8.022 7.507 0.515 17991 6364 1 11 . 1 1 109 109 VAL N N 109 117.146 117.146 121.561 -4.415 17991 6365 1 11 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.737 0.051 17991 6366 1 11 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.181 -1.347 17991 6367 1 11 . 1 1 109 109 VAL H H 109 7.829 7.829 8.347 -0.518 17991 6368 1 11 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.331 0.149 17991 6369 1 11 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.916 0.529 17991 6370 1 11 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.211 0.168 17991 6371 1 11 . 1 1 111 111 LEU N N 111 117.393 117.393 118.760 -1.367 17991 6372 1 11 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.337 -0.124 17991 6373 1 11 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.608 1.174 17991 6374 1 11 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.519 -0.071 17991 6375 1 11 . 1 1 111 111 LEU H H 111 7.538 7.538 7.603 -0.065 17991 6376 1 11 . 1 1 112 112 ILE N N 112 117.001 117.001 116.782 0.219 17991 6377 1 11 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.404 -0.403 17991 6378 1 11 . 1 1 112 112 ILE CA C 112 64.626 64.626 64.195 0.431 17991 6379 1 11 . 1 1 112 112 ILE H H 112 8.118 8.118 8.744 -0.626 17991 6380 1 11 . 1 1 113 113 GLY N N 113 106.840 106.840 109.331 -2.491 17991 6381 1 11 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.178 0.594 17991 6382 1 11 . 1 1 113 113 GLY H H 113 8.409 8.409 8.639 -0.230 17991 6383 1 11 . 1 1 114 114 LYS N N 114 120.736 120.736 121.777 -1.041 17991 6384 1 11 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.920 0.200 17991 6385 1 11 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.829 0.309 17991 6386 1 11 . 1 1 114 114 LYS H H 114 7.847 7.847 7.372 0.475 17991 6387 1 11 . 1 1 115 115 TYR N N 115 117.055 117.055 117.587 -0.532 17991 6388 1 11 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.631 -0.359 17991 6389 1 11 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.275 0.155 17991 6390 1 11 . 1 1 115 115 TYR H H 115 7.891 7.891 7.919 -0.028 17991 6391 1 11 . 1 1 116 116 MET H H 116 8.170 8.170 7.681 0.489 17991 6392 1 11 . 1 1 117 117 LEU N N 117 117.768 117.768 118.789 -1.021 17991 6393 1 11 . 1 1 117 117 LEU HA H 117 3.909 3.909 3.996 -0.087 17991 6394 1 11 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.677 0.917 17991 6395 1 11 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.767 -0.431 17991 6396 1 11 . 1 1 117 117 LEU H H 117 7.781 7.781 7.697 0.084 17991 6397 1 11 . 1 1 118 118 PHE N N 118 118.204 118.204 119.148 -0.944 17991 6398 1 11 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.121 0.307 17991 6399 1 11 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.950 -1.215 17991 6400 1 11 . 1 1 118 118 PHE H H 118 8.024 8.024 7.709 0.315 17991 6401 1 11 . 1 1 119 119 THR N N 119 114.941 114.941 115.111 -0.170 17991 6402 1 11 . 1 1 119 119 THR HA H 119 3.972 3.972 4.082 -0.110 17991 6403 1 11 . 1 1 119 119 THR CA C 119 67.518 67.518 66.918 0.600 17991 6404 1 11 . 1 1 119 119 THR CB C 119 69.194 69.194 68.820 0.374 17991 6405 1 11 . 1 1 119 119 THR H H 119 8.171 8.171 8.013 0.158 17991 6406 1 11 . 1 1 120 120 LYS N N 120 121.758 121.758 121.455 0.303 17991 6407 1 11 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.034 -0.054 17991 6408 1 11 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.797 1.013 17991 6409 1 11 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.335 0.180 17991 6410 1 11 . 1 1 120 120 LYS H H 120 8.359 8.359 7.914 0.445 17991 6411 1 11 . 1 1 121 121 GLU N N 121 117.504 117.504 117.281 0.223 17991 6412 1 11 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.223 -0.009 17991 6413 1 11 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.181 1.059 17991 6414 1 11 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.265 -1.882 17991 6415 1 11 . 1 1 121 121 GLU H H 121 8.222 8.222 7.739 0.483 17991 6416 1 11 . 1 1 122 122 PHE N N 122 121.586 121.586 120.589 0.997 17991 6417 1 11 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.477 -0.183 17991 6418 1 11 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.023 1.551 17991 6419 1 11 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.240 -0.881 17991 6420 1 11 . 1 1 122 122 PHE H H 122 8.562 8.562 7.933 0.629 17991 6421 1 11 . 1 1 123 123 VAL N N 123 121.558 121.558 121.427 0.131 17991 6422 1 11 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.800 -0.284 17991 6423 1 11 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.998 1.610 17991 6424 1 11 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.395 0.066 17991 6425 1 11 . 1 1 123 123 VAL H H 123 8.784 8.784 8.898 -0.114 17991 6426 1 11 . 1 1 124 124 GLU N N 124 118.314 118.314 119.838 -1.524 17991 6427 1 11 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.065 -0.023 17991 6428 1 11 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.295 0.912 17991 6429 1 11 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.916 -0.491 17991 6430 1 11 . 1 1 124 124 GLU H H 124 8.564 8.564 8.525 0.039 17991 6431 1 11 . 1 1 125 125 SER N N 125 114.779 114.779 115.795 -1.016 17991 6432 1 11 . 1 1 125 125 SER HA H 125 4.265 4.265 4.162 0.103 17991 6433 1 11 . 1 1 125 125 SER CA C 125 62.342 62.342 61.342 1.000 17991 6434 1 11 . 1 1 125 125 SER CB C 125 63.162 63.162 62.695 0.467 17991 6435 1 11 . 1 1 125 125 SER H H 125 8.348 8.348 8.185 0.163 17991 6436 1 11 . 1 1 126 126 SER N N 126 118.464 118.464 117.485 0.979 17991 6437 1 11 . 1 1 126 126 SER HA H 126 4.069 4.069 4.342 -0.273 17991 6438 1 11 . 1 1 126 126 SER CA C 126 62.846 62.846 61.597 1.249 17991 6439 1 11 . 1 1 126 126 SER H H 126 8.144 8.144 7.817 0.327 17991 6440 1 11 . 1 1 127 127 ILE N N 127 124.705 124.705 119.299 5.406 17991 6441 1 11 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.031 -0.350 17991 6442 1 11 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.572 2.069 17991 6443 1 11 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.103 -0.069 17991 6444 1 11 . 1 1 127 127 ILE H H 127 8.280 8.280 7.793 0.487 17991 6445 1 11 . 1 1 128 128 LYS N N 128 119.907 119.907 122.132 -2.225 17991 6446 1 11 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.094 0.791 17991 6447 1 11 . 1 1 128 128 LYS CB C 128 32.248 32.248 31.817 0.431 17991 6448 1 11 . 1 1 128 128 LYS H H 128 7.741 7.741 7.191 0.550 17991 6449 1 11 . 1 1 129 129 ILE N N 129 118.807 118.807 118.833 -0.026 17991 6450 1 11 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.785 0.322 17991 6451 1 11 . 1 1 129 129 ILE CA C 129 64.392 64.392 65.266 -0.874 17991 6452 1 11 . 1 1 129 129 ILE CB C 129 38.050 38.050 37.992 0.058 17991 6453 1 11 . 1 1 129 129 ILE H H 129 8.215 8.215 8.398 -0.183 17991 6454 1 11 . 1 1 130 130 THR N N 130 117.328 117.328 112.617 4.711 17991 6455 1 11 . 1 1 130 130 THR HA H 130 3.921 3.921 3.969 -0.048 17991 6456 1 11 . 1 1 130 130 THR CA C 130 68.210 68.210 65.170 3.040 17991 6457 1 11 . 1 1 130 130 THR H H 130 7.988 7.988 7.768 0.220 17991 6458 1 11 . 1 1 131 131 GLU N N 131 118.968 118.968 121.877 -2.909 17991 6459 1 11 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.058 -0.080 17991 6460 1 11 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.189 0.411 17991 6461 1 11 . 1 1 131 131 GLU H H 131 8.439 8.439 7.856 0.583 17991 6462 1 11 . 1 1 132 132 GLU N N 132 118.712 118.712 118.500 0.212 17991 6463 1 11 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.274 -0.048 17991 6464 1 11 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.626 0.641 17991 6465 1 11 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.159 -1.540 17991 6466 1 11 . 1 1 132 132 GLU H H 132 7.987 7.987 7.580 0.407 17991 6467 1 11 . 1 1 133 133 VAL N N 133 120.060 120.060 121.778 -1.718 17991 6468 1 11 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.098 -0.231 17991 6469 1 11 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.454 1.876 17991 6470 1 11 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.050 0.106 17991 6471 1 11 . 1 1 133 133 VAL H H 133 8.341 8.341 7.952 0.389 17991 6472 1 11 . 1 1 134 134 ILE N N 134 119.699 119.699 120.763 -1.064 17991 6473 1 11 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.830 0.030 17991 6474 1 11 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.846 1.338 17991 6475 1 11 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.566 0.336 17991 6476 1 11 . 1 1 134 134 ILE H H 134 8.331 8.331 7.669 0.662 17991 6477 1 11 . 1 1 135 135 ASN N N 135 117.396 117.396 116.764 0.632 17991 6478 1 11 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.617 0.058 17991 6479 1 11 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.815 -0.310 17991 6480 1 11 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.725 0.402 17991 6481 1 11 . 1 1 135 135 ASN H H 135 8.318 8.318 7.903 0.415 17991 6482 1 11 . 1 1 136 136 THR N N 136 111.419 111.419 115.302 -3.883 17991 6483 1 11 . 1 1 136 136 THR HA H 136 4.308 4.308 4.185 0.123 17991 6484 1 11 . 1 1 136 136 THR CA C 136 63.872 63.872 66.506 -2.634 17991 6485 1 11 . 1 1 136 136 THR CB C 136 69.779 69.779 68.162 1.617 17991 6486 1 11 . 1 1 136 136 THR H H 136 8.006 8.006 7.682 0.324 17991 6487 1 11 . 1 1 137 137 HIS N N 137 118.612 118.612 119.371 -0.759 17991 6488 1 11 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.676 0.027 17991 6489 1 11 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.288 -1.827 17991 6490 1 11 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.702 -0.990 17991 6491 1 11 . 1 1 137 137 HIS H H 137 8.013 8.013 7.733 0.280 17991 6492 1 11 . 1 1 138 138 HIS N N 138 118.709 118.709 116.358 2.351 17991 6493 1 11 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.701 0.125 17991 6494 1 11 . 1 1 138 138 HIS CA C 138 55.514 55.514 56.164 -0.650 17991 6495 1 11 . 1 1 138 138 HIS CB C 138 29.246 29.246 31.120 -1.874 17991 6496 1 11 . 1 1 138 138 HIS H H 138 8.169 8.169 7.771 0.398 17991 6497 1 11 . 1 1 139 139 ARG N N 139 123.025 123.025 119.651 3.374 17991 6498 1 11 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.070 0.496 17991 6499 1 11 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.880 -2.486 17991 6500 1 11 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.736 0.285 17991 6501 1 11 . 1 1 139 139 ARG H H 139 8.419 8.419 7.963 0.456 17991 6502 1 12 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.434 0.304 17991 6503 1 12 . 1 1 8 8 HIS CA C 8 55.776 55.776 57.628 -1.852 17991 6504 1 12 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.009 0.334 17991 6505 1 12 . 1 1 8 8 HIS H H 8 8.686 8.686 8.690 -0.004 17991 6506 1 12 . 1 1 9 9 ALA N N 9 124.079 124.079 126.730 -2.651 17991 6507 1 12 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.468 -0.081 17991 6508 1 12 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.872 0.415 17991 6509 1 12 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.638 -1.463 17991 6510 1 12 . 1 1 9 9 ALA H H 9 8.457 8.457 8.144 0.313 17991 6511 1 12 . 1 1 10 10 MET N N 10 120.430 120.430 118.336 2.094 17991 6512 1 12 . 1 1 10 10 MET HA H 10 4.390 4.390 4.238 0.152 17991 6513 1 12 . 1 1 10 10 MET CA C 10 57.753 57.753 57.561 0.192 17991 6514 1 12 . 1 1 10 10 MET CB C 10 32.355 32.355 32.698 -0.343 17991 6515 1 12 . 1 1 10 10 MET H H 10 8.545 8.545 8.192 0.353 17991 6516 1 12 . 1 1 11 11 VAL N N 11 119.159 119.159 113.764 5.395 17991 6517 1 12 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.068 -0.052 17991 6518 1 12 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.320 0.951 17991 6519 1 12 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.532 0.079 17991 6520 1 12 . 1 1 11 11 VAL H H 11 8.339 8.339 7.981 0.358 17991 6521 1 12 . 1 1 12 12 ILE N N 12 119.461 119.461 119.241 0.220 17991 6522 1 12 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.045 -0.092 17991 6523 1 12 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.346 0.988 17991 6524 1 12 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.345 -0.849 17991 6525 1 12 . 1 1 12 12 ILE H H 12 7.705 7.705 7.800 -0.095 17991 6526 1 12 . 1 1 13 13 ASP N N 13 119.460 119.460 118.954 0.506 17991 6527 1 12 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.812 -0.428 17991 6528 1 12 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.621 1.903 17991 6529 1 12 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.151 -1.739 17991 6530 1 12 . 1 1 13 13 ASP H H 13 8.172 8.172 7.720 0.452 17991 6531 1 12 . 1 1 14 14 HIS N N 14 116.421 116.421 117.663 -1.242 17991 6532 1 12 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.529 0.011 17991 6533 1 12 . 1 1 14 14 HIS CA C 14 58.748 58.748 57.713 1.035 17991 6534 1 12 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.593 -1.941 17991 6535 1 12 . 1 1 14 14 HIS H H 14 8.138 8.138 7.665 0.473 17991 6536 1 12 . 1 1 15 15 ILE N N 15 119.970 119.970 120.228 -0.258 17991 6537 1 12 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.817 -0.009 17991 6538 1 12 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.759 0.645 17991 6539 1 12 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.860 -0.073 17991 6540 1 12 . 1 1 15 15 ILE H H 15 8.224 8.224 7.739 0.485 17991 6541 1 12 . 1 1 16 16 LEU N N 16 118.635 118.635 121.417 -2.782 17991 6542 1 12 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.096 0.896 17991 6543 1 12 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.420 0.366 17991 6544 1 12 . 1 1 16 16 LEU H H 16 8.480 8.480 8.066 0.414 17991 6545 1 12 . 1 1 17 17 LYS N N 17 118.257 118.257 117.487 0.770 17991 6546 1 12 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.024 0.070 17991 6547 1 12 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.014 0.868 17991 6548 1 12 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.669 0.547 17991 6549 1 12 . 1 1 17 17 LYS H H 17 8.098 8.098 7.944 0.154 17991 6550 1 12 . 1 1 18 18 CYS N N 18 117.220 117.220 118.215 -0.995 17991 6551 1 12 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.224 0.105 17991 6552 1 12 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.770 0.448 17991 6553 1 12 . 1 1 18 18 CYS CB C 18 26.822 26.822 28.049 -1.227 17991 6554 1 12 . 1 1 18 18 CYS H H 18 7.899 7.899 8.080 -0.181 17991 6555 1 12 . 1 1 19 19 VAL N N 19 118.929 118.929 119.230 -0.301 17991 6556 1 12 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.003 -0.278 17991 6557 1 12 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.223 1.857 17991 6558 1 12 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.002 0.055 17991 6559 1 12 . 1 1 19 19 VAL H H 19 8.352 8.352 7.323 1.029 17991 6560 1 12 . 1 1 20 20 PHE N N 20 120.244 120.244 119.906 0.338 17991 6561 1 12 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.277 -0.003 17991 6562 1 12 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.692 0.934 17991 6563 1 12 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.327 -0.247 17991 6564 1 12 . 1 1 20 20 PHE H H 20 8.791 8.791 8.826 -0.035 17991 6565 1 12 . 1 1 21 21 ASP N N 21 118.761 118.761 120.357 -1.596 17991 6566 1 12 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.427 -0.064 17991 6567 1 12 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.297 0.220 17991 6568 1 12 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.828 -0.760 17991 6569 1 12 . 1 1 21 21 ASP H H 21 8.705 8.705 7.931 0.774 17991 6570 1 12 . 1 1 22 22 LYS N N 22 118.200 118.200 119.565 -1.365 17991 6571 1 12 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.145 0.049 17991 6572 1 12 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.152 -0.559 17991 6573 1 12 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.581 -0.282 17991 6574 1 12 . 1 1 22 22 LYS H H 22 7.810 7.810 7.583 0.227 17991 6575 1 12 . 1 1 23 23 ILE N N 23 118.534 118.534 119.817 -1.283 17991 6576 1 12 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.451 0.330 17991 6577 1 12 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.894 0.202 17991 6578 1 12 . 1 1 23 23 ILE H H 23 8.351 8.351 7.554 0.797 17991 6579 1 12 . 1 1 24 24 CYS N N 24 117.155 117.155 115.475 1.680 17991 6580 1 12 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.196 -0.147 17991 6581 1 12 . 1 1 24 24 CYS CA C 24 63.499 63.499 63.071 0.428 17991 6582 1 12 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.135 -0.509 17991 6583 1 12 . 1 1 24 24 CYS H H 24 8.203 8.203 7.676 0.527 17991 6584 1 12 . 1 1 25 25 LYS N N 25 119.995 119.995 122.395 -2.400 17991 6585 1 12 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.382 -0.620 17991 6586 1 12 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.215 0.170 17991 6587 1 12 . 1 1 25 25 LYS H H 25 7.760 7.760 7.245 0.515 17991 6588 1 12 . 1 1 26 26 ILE N N 26 119.168 119.168 117.283 1.885 17991 6589 1 12 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.965 0.009 17991 6590 1 12 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.089 2.017 17991 6591 1 12 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.748 -0.192 17991 6592 1 12 . 1 1 26 26 ILE H H 26 8.055 8.055 7.818 0.237 17991 6593 1 12 . 1 1 27 27 GLY N N 27 108.257 108.257 107.508 0.749 17991 6594 1 12 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.378 -0.389 17991 6595 1 12 . 1 1 27 27 GLY H H 27 8.568 8.568 7.942 0.626 17991 6596 1 12 . 1 1 28 28 THR N N 28 112.727 112.727 113.900 -1.173 17991 6597 1 12 . 1 1 28 28 THR HA H 28 3.912 3.912 4.085 -0.173 17991 6598 1 12 . 1 1 28 28 THR CA C 28 64.717 64.717 66.075 -1.358 17991 6599 1 12 . 1 1 28 28 THR CB C 28 69.375 69.375 68.804 0.571 17991 6600 1 12 . 1 1 28 28 THR H H 28 8.059 8.059 7.586 0.473 17991 6601 1 12 . 1 1 29 29 GLU N N 29 120.068 120.068 121.035 -0.967 17991 6602 1 12 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.986 -1.382 17991 6603 1 12 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.854 0.239 17991 6604 1 12 . 1 1 29 29 GLU H H 29 8.113 8.113 7.671 0.442 17991 6605 1 12 . 1 1 30 30 SER N N 30 114.882 114.882 115.117 -0.235 17991 6606 1 12 . 1 1 30 30 SER HA H 30 4.374 4.374 4.142 0.232 17991 6607 1 12 . 1 1 30 30 SER CA C 30 60.353 60.353 61.247 -0.894 17991 6608 1 12 . 1 1 30 30 SER H H 30 8.060 8.060 7.571 0.489 17991 6609 1 12 . 1 1 31 31 VAL N N 31 122.098 122.098 119.731 2.367 17991 6610 1 12 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.791 0.226 17991 6611 1 12 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.955 -1.328 17991 6612 1 12 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.023 0.963 17991 6613 1 12 . 1 1 31 31 VAL H H 31 8.127 8.127 7.376 0.751 17991 6614 1 12 . 1 1 32 32 GLU N N 32 120.280 120.280 119.895 0.385 17991 6615 1 12 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.104 0.214 17991 6616 1 12 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.885 -0.998 17991 6617 1 12 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.400 -0.747 17991 6618 1 12 . 1 1 32 32 GLU H H 32 8.243 8.243 7.367 0.876 17991 6619 1 12 . 1 1 33 33 ALA N N 33 121.715 121.715 121.675 0.040 17991 6620 1 12 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.978 0.211 17991 6621 1 12 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.416 0.308 17991 6622 1 12 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.791 0.938 17991 6623 1 12 . 1 1 33 33 ALA H H 33 8.218 8.218 7.532 0.686 17991 6624 1 12 . 1 1 34 34 GLY N N 34 104.656 104.656 105.636 -0.980 17991 6625 1 12 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.425 0.649 17991 6626 1 12 . 1 1 34 34 GLY H H 34 8.308 8.308 8.075 0.233 17991 6627 1 12 . 1 1 35 35 ARG N N 35 119.958 119.958 121.418 -1.460 17991 6628 1 12 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.221 0.055 17991 6629 1 12 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.195 1.830 17991 6630 1 12 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.799 0.490 17991 6631 1 12 . 1 1 35 35 ARG H H 35 7.975 7.975 7.413 0.562 17991 6632 1 12 . 1 1 36 36 LEU N N 36 118.931 118.931 121.132 -2.201 17991 6633 1 12 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.144 0.080 17991 6634 1 12 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.639 0.165 17991 6635 1 12 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.508 0.685 17991 6636 1 12 . 1 1 36 36 LEU H H 36 7.958 7.958 8.581 -0.623 17991 6637 1 12 . 1 1 37 37 ILE N N 37 118.087 118.087 119.061 -0.974 17991 6638 1 12 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.746 0.185 17991 6639 1 12 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.694 0.165 17991 6640 1 12 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.744 0.295 17991 6641 1 12 . 1 1 37 37 ILE H H 37 7.904 7.904 7.637 0.267 17991 6642 1 12 . 1 1 38 38 GLU N N 38 120.989 120.989 119.936 1.053 17991 6643 1 12 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.938 0.293 17991 6644 1 12 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.603 -1.158 17991 6645 1 12 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.444 -0.433 17991 6646 1 12 . 1 1 38 38 GLU H H 38 8.041 8.041 7.460 0.581 17991 6647 1 12 . 1 1 39 39 LEU N N 39 120.111 120.111 118.864 1.247 17991 6648 1 12 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.109 0.162 17991 6649 1 12 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.304 0.107 17991 6650 1 12 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.870 1.425 17991 6651 1 12 . 1 1 39 39 LEU H H 39 8.173 8.173 7.726 0.447 17991 6652 1 12 . 1 1 40 40 SER N N 40 113.806 113.806 113.007 0.799 17991 6653 1 12 . 1 1 40 40 SER HA H 40 4.312 4.312 4.201 0.111 17991 6654 1 12 . 1 1 40 40 SER CA C 40 60.406 60.406 60.676 -0.270 17991 6655 1 12 . 1 1 40 40 SER CB C 40 63.646 63.646 63.346 0.300 17991 6656 1 12 . 1 1 40 40 SER H H 40 8.031 8.031 7.583 0.448 17991 6657 1 12 . 1 1 41 41 GLN N N 41 120.139 120.139 118.988 1.151 17991 6658 1 12 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.247 0.149 17991 6659 1 12 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.562 -0.961 17991 6660 1 12 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.734 -0.349 17991 6661 1 12 . 1 1 41 41 GLN H H 41 7.956 7.956 7.698 0.258 17991 6662 1 12 . 1 1 42 42 GLU N N 42 119.728 119.728 117.042 2.686 17991 6663 1 12 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.474 -0.101 17991 6664 1 12 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.691 0.397 17991 6665 1 12 . 1 1 42 42 GLU CB C 42 29.355 29.355 29.730 -0.375 17991 6666 1 12 . 1 1 42 42 GLU H H 42 8.114 8.114 8.468 -0.354 17991 6667 1 12 . 1 1 43 43 GLY N N 43 108.655 108.655 108.219 0.436 17991 6668 1 12 . 1 1 43 43 GLY CA C 43 45.623 45.623 47.080 -1.457 17991 6669 1 12 . 1 1 43 43 GLY H H 43 8.325 8.325 7.778 0.547 17991 6670 1 12 . 1 1 44 44 GLY N N 44 107.872 107.872 107.447 0.425 17991 6671 1 12 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.189 1.298 17991 6672 1 12 . 1 1 44 44 GLY H H 44 8.105 8.105 7.926 0.179 17991 6673 1 12 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.559 1.836 17991 6674 1 12 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.430 0.039 17991 6675 1 12 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.266 1.164 17991 6676 1 12 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.872 0.449 17991 6677 1 12 . 1 1 50 50 LEU N N 50 116.864 116.864 118.943 -2.079 17991 6678 1 12 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.403 -0.201 17991 6679 1 12 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.927 1.622 17991 6680 1 12 . 1 1 50 50 LEU CB C 50 41.699 41.699 39.946 1.753 17991 6681 1 12 . 1 1 50 50 LEU H H 50 8.336 8.336 8.171 0.165 17991 6682 1 12 . 1 1 51 51 TYR N N 51 118.433 118.433 122.185 -3.752 17991 6683 1 12 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.168 -0.003 17991 6684 1 12 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.923 0.111 17991 6685 1 12 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.105 0.379 17991 6686 1 12 . 1 1 51 51 TYR H H 51 7.765 7.765 7.721 0.044 17991 6687 1 12 . 1 1 52 52 PHE N N 52 117.945 117.945 119.265 -1.320 17991 6688 1 12 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.698 0.562 17991 6689 1 12 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.424 -0.173 17991 6690 1 12 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.792 0.527 17991 6691 1 12 . 1 1 52 52 PHE H H 52 7.873 7.873 7.874 -0.001 17991 6692 1 12 . 1 1 53 53 VAL N N 53 117.468 117.468 118.258 -0.790 17991 6693 1 12 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.439 0.213 17991 6694 1 12 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.395 0.903 17991 6695 1 12 . 1 1 53 53 VAL CB C 53 31.810 31.810 32.022 -0.212 17991 6696 1 12 . 1 1 53 53 VAL H H 53 7.864 7.864 7.561 0.303 17991 6697 1 12 . 1 1 54 54 VAL N N 54 116.929 116.929 120.982 -4.053 17991 6698 1 12 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.697 0.005 17991 6699 1 12 . 1 1 54 54 VAL CA C 54 66.067 66.067 65.970 0.097 17991 6700 1 12 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.754 0.047 17991 6701 1 12 . 1 1 54 54 VAL H H 54 7.958 7.958 8.109 -0.151 17991 6702 1 12 . 1 1 55 55 ASN N N 55 115.543 115.543 117.266 -1.723 17991 6703 1 12 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.627 0.003 17991 6704 1 12 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.439 0.021 17991 6705 1 12 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.788 1.141 17991 6706 1 12 . 1 1 55 55 ASN H H 55 7.823 7.823 8.137 -0.314 17991 6707 1 12 . 1 1 56 56 VAL N N 56 116.125 116.125 118.699 -2.574 17991 6708 1 12 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.671 0.426 17991 6709 1 12 . 1 1 56 56 VAL CA C 56 64.139 64.139 65.262 -1.123 17991 6710 1 12 . 1 1 56 56 VAL CB C 56 32.003 32.003 31.922 0.081 17991 6711 1 12 . 1 1 56 56 VAL H H 56 7.664 7.664 7.147 0.517 17991 6712 1 12 . 1 1 57 57 ILE N N 57 116.872 116.872 118.499 -1.627 17991 6713 1 12 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.674 0.335 17991 6714 1 12 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.689 0.861 17991 6715 1 12 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.665 1.098 17991 6716 1 12 . 1 1 57 57 ILE H H 57 7.587 7.587 7.976 -0.389 17991 6717 1 12 . 1 1 58 58 GLU N N 58 118.190 118.190 120.566 -2.376 17991 6718 1 12 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.138 0.061 17991 6719 1 12 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.912 -1.607 17991 6720 1 12 . 1 1 58 58 GLU H H 58 8.114 8.114 7.807 0.307 17991 6721 1 12 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.349 0.160 17991 6722 1 12 . 1 1 59 59 PRO CA C 59 65.562 65.562 64.964 0.598 17991 6723 1 12 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.169 0.297 17991 6724 1 12 . 1 1 60 60 CYS N N 60 115.035 115.035 118.011 -2.976 17991 6725 1 12 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.070 0.198 17991 6726 1 12 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.259 -1.146 17991 6727 1 12 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.685 -0.695 17991 6728 1 12 . 1 1 60 60 CYS H H 60 7.913 7.913 7.555 0.358 17991 6729 1 12 . 1 1 61 61 LYS N N 61 121.184 121.184 120.159 1.025 17991 6730 1 12 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.071 0.201 17991 6731 1 12 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.594 -0.505 17991 6732 1 12 . 1 1 61 61 LYS CB C 61 32.428 32.428 31.960 0.468 17991 6733 1 12 . 1 1 61 61 LYS H H 61 8.197 8.197 8.075 0.122 17991 6734 1 12 . 1 1 62 62 LYS N N 62 118.253 118.253 118.310 -0.057 17991 6735 1 12 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.190 -1.346 17991 6736 1 12 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.296 -0.206 17991 6737 1 12 . 1 1 62 62 LYS H H 62 7.982 7.982 7.969 0.013 17991 6738 1 12 . 1 1 63 63 PHE N N 63 118.763 118.763 118.057 0.706 17991 6739 1 12 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.457 -0.202 17991 6740 1 12 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.610 0.924 17991 6741 1 12 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.553 -0.403 17991 6742 1 12 . 1 1 63 63 PHE H H 63 8.155 8.155 7.587 0.568 17991 6743 1 12 . 1 1 64 64 SER N N 64 114.881 114.881 116.384 -1.503 17991 6744 1 12 . 1 1 64 64 SER HA H 64 4.268 4.268 3.863 0.405 17991 6745 1 12 . 1 1 64 64 SER CA C 64 61.588 61.588 61.980 -0.392 17991 6746 1 12 . 1 1 64 64 SER CB C 64 63.175 63.175 62.859 0.316 17991 6747 1 12 . 1 1 64 64 SER H H 64 8.218 8.218 8.015 0.203 17991 6748 1 12 . 1 1 65 65 GLU N N 65 120.937 120.937 118.944 1.993 17991 6749 1 12 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.155 0.129 17991 6750 1 12 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.114 0.097 17991 6751 1 12 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.706 -0.744 17991 6752 1 12 . 1 1 65 65 GLU H H 65 8.067 8.067 7.732 0.335 17991 6753 1 12 . 1 1 66 66 LEU N N 66 118.904 118.904 120.236 -1.332 17991 6754 1 12 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.096 0.167 17991 6755 1 12 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.411 -0.189 17991 6756 1 12 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.839 0.486 17991 6757 1 12 . 1 1 66 66 LEU H H 66 8.003 8.003 7.415 0.588 17991 6758 1 12 . 1 1 67 67 THR N N 67 108.190 108.190 112.087 -3.897 17991 6759 1 12 . 1 1 67 67 THR HA H 67 4.043 4.043 4.137 -0.094 17991 6760 1 12 . 1 1 67 67 THR CA C 67 64.579 64.579 65.562 -0.983 17991 6761 1 12 . 1 1 67 67 THR CB C 67 69.410 69.410 68.358 1.052 17991 6762 1 12 . 1 1 67 67 THR H H 67 7.783 7.783 7.467 0.316 17991 6763 1 12 . 1 1 68 68 GLY N N 68 108.141 108.141 108.150 -0.009 17991 6764 1 12 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.299 0.945 17991 6765 1 12 . 1 1 68 68 GLY H H 68 7.964 7.964 7.526 0.438 17991 6766 1 12 . 1 1 69 69 LEU N N 69 120.124 120.124 121.179 -1.055 17991 6767 1 12 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.730 -0.378 17991 6768 1 12 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.850 0.636 17991 6769 1 12 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.599 -0.225 17991 6770 1 12 . 1 1 69 69 LEU H H 69 7.749 7.749 7.532 0.217 17991 6771 1 12 . 1 1 70 70 VAL N N 70 115.546 115.546 118.681 -3.135 17991 6772 1 12 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.861 0.073 17991 6773 1 12 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.292 -1.662 17991 6774 1 12 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.014 0.250 17991 6775 1 12 . 1 1 70 70 VAL H H 70 7.607 7.607 7.669 -0.062 17991 6776 1 12 . 1 1 71 71 PHE N N 71 119.035 119.035 115.108 3.927 17991 6777 1 12 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.409 0.149 17991 6778 1 12 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.180 -0.633 17991 6779 1 12 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.907 -0.607 17991 6780 1 12 . 1 1 71 71 PHE H H 71 7.618 7.618 7.726 -0.108 17991 6781 1 12 . 1 1 72 72 TYR N N 72 118.365 118.365 119.121 -0.756 17991 6782 1 12 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.487 0.092 17991 6783 1 12 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.982 -0.885 17991 6784 1 12 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.858 -1.614 17991 6785 1 12 . 1 1 72 72 TYR H H 72 7.740 7.740 7.920 -0.180 17991 6786 1 12 . 1 1 73 73 LEU N N 73 121.184 121.184 119.165 2.019 17991 6787 1 12 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.545 0.030 17991 6788 1 12 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.575 0.974 17991 6789 1 12 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.656 -1.575 17991 6790 1 12 . 1 1 73 73 LEU H H 73 7.713 7.713 7.397 0.316 17991 6791 1 12 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.486 0.152 17991 6792 1 12 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.593 0.611 17991 6793 1 12 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.112 -0.431 17991 6794 1 12 . 1 1 75 75 THR N N 75 113.231 113.231 117.757 -4.526 17991 6795 1 12 . 1 1 75 75 THR HA H 75 4.339 4.339 4.589 -0.250 17991 6796 1 12 . 1 1 75 75 THR CA C 75 62.684 62.684 62.205 0.479 17991 6797 1 12 . 1 1 75 75 THR H H 75 8.217 8.217 8.404 -0.187 17991 6798 1 12 . 1 1 76 76 ASP N N 76 120.892 120.892 119.892 1.000 17991 6799 1 12 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.624 0.166 17991 6800 1 12 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.777 0.462 17991 6801 1 12 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.599 -2.284 17991 6802 1 12 . 1 1 76 76 ASP H H 76 8.406 8.406 7.323 1.083 17991 6803 1 12 . 1 1 77 77 SER N N 77 115.861 115.861 114.926 0.935 17991 6804 1 12 . 1 1 77 77 SER HA H 77 4.345 4.345 4.315 0.030 17991 6805 1 12 . 1 1 77 77 SER CA C 77 60.528 60.528 59.799 0.729 17991 6806 1 12 . 1 1 77 77 SER CB C 77 63.812 63.812 63.533 0.279 17991 6807 1 12 . 1 1 77 77 SER H H 77 8.238 8.238 8.547 -0.309 17991 6808 1 12 . 1 1 78 78 GLY N N 78 110.440 110.440 107.770 2.670 17991 6809 1 12 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.144 1.509 17991 6810 1 12 . 1 1 78 78 GLY H H 78 8.570 8.570 7.663 0.907 17991 6811 1 12 . 1 1 79 79 GLU N N 79 121.242 121.242 121.284 -0.042 17991 6812 1 12 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.073 0.247 17991 6813 1 12 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.825 -1.807 17991 6814 1 12 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.820 -0.738 17991 6815 1 12 . 1 1 79 79 GLU H H 79 8.237 8.237 8.473 -0.236 17991 6816 1 12 . 1 1 80 80 LYS N N 80 119.708 119.708 118.684 1.024 17991 6817 1 12 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.287 0.032 17991 6818 1 12 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.133 -0.252 17991 6819 1 12 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.753 0.992 17991 6820 1 12 . 1 1 80 80 LYS H H 80 8.252 8.252 8.540 -0.288 17991 6821 1 12 . 1 1 81 81 MET N N 81 119.849 119.849 118.731 1.118 17991 6822 1 12 . 1 1 81 81 MET HA H 81 4.367 4.367 4.264 0.103 17991 6823 1 12 . 1 1 81 81 MET CA C 81 57.845 57.845 59.759 -1.914 17991 6824 1 12 . 1 1 81 81 MET CB C 81 32.658 32.658 32.077 0.581 17991 6825 1 12 . 1 1 81 81 MET H H 81 8.419 8.419 7.929 0.490 17991 6826 1 12 . 1 1 82 82 THR N N 82 114.947 114.947 113.796 1.151 17991 6827 1 12 . 1 1 82 82 THR HA H 82 4.132 4.132 3.928 0.204 17991 6828 1 12 . 1 1 82 82 THR CA C 82 65.377 65.377 66.997 -1.620 17991 6829 1 12 . 1 1 82 82 THR CB C 82 69.035 69.035 68.645 0.390 17991 6830 1 12 . 1 1 82 82 THR H H 82 8.115 8.115 8.318 -0.203 17991 6831 1 12 . 1 1 83 83 GLU N N 83 121.416 121.416 119.572 1.844 17991 6832 1 12 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.256 0.117 17991 6833 1 12 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.424 -0.360 17991 6834 1 12 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.732 -0.790 17991 6835 1 12 . 1 1 83 83 GLU H H 83 8.336 8.336 7.973 0.363 17991 6836 1 12 . 1 1 84 84 SER N N 84 115.783 115.783 115.124 0.659 17991 6837 1 12 . 1 1 84 84 SER HA H 84 4.278 4.278 4.519 -0.241 17991 6838 1 12 . 1 1 84 84 SER CA C 84 61.685 61.685 61.457 0.228 17991 6839 1 12 . 1 1 84 84 SER H H 84 8.191 8.191 8.032 0.159 17991 6840 1 12 . 1 1 85 85 LYS N N 85 121.318 121.318 120.558 0.760 17991 6841 1 12 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.304 -0.219 17991 6842 1 12 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.828 0.960 17991 6843 1 12 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.822 -0.392 17991 6844 1 12 . 1 1 85 85 LYS H H 85 8.113 8.113 7.879 0.234 17991 6845 1 12 . 1 1 86 86 SER N N 86 115.042 115.042 116.404 -1.362 17991 6846 1 12 . 1 1 86 86 SER HA H 86 4.389 4.389 4.241 0.148 17991 6847 1 12 . 1 1 86 86 SER CA C 86 61.437 61.437 61.601 -0.164 17991 6848 1 12 . 1 1 86 86 SER CB C 86 63.116 63.116 62.863 0.253 17991 6849 1 12 . 1 1 86 86 SER H H 86 8.066 8.066 7.743 0.323 17991 6850 1 12 . 1 1 87 87 VAL N N 87 122.920 122.920 121.744 1.176 17991 6851 1 12 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.779 0.601 17991 6852 1 12 . 1 1 87 87 VAL CA C 87 66.123 66.123 66.074 0.049 17991 6853 1 12 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.720 -0.341 17991 6854 1 12 . 1 1 87 87 VAL H H 87 8.103 8.103 7.556 0.547 17991 6855 1 12 . 1 1 88 88 LEU N N 88 119.501 119.501 118.717 0.784 17991 6856 1 12 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.024 0.098 17991 6857 1 12 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.018 0.888 17991 6858 1 12 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.548 0.396 17991 6859 1 12 . 1 1 88 88 LEU H H 88 8.146 8.146 7.637 0.509 17991 6860 1 12 . 1 1 89 89 LYS N N 89 120.285 120.285 120.019 0.266 17991 6861 1 12 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.002 0.093 17991 6862 1 12 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.602 0.285 17991 6863 1 12 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.398 -0.172 17991 6864 1 12 . 1 1 89 89 LYS H H 89 8.245 8.245 7.709 0.536 17991 6865 1 12 . 1 1 90 90 SER N N 90 115.131 115.131 113.789 1.342 17991 6866 1 12 . 1 1 90 90 SER HA H 90 4.362 4.362 4.503 -0.141 17991 6867 1 12 . 1 1 90 90 SER CA C 90 61.815 61.815 60.023 1.792 17991 6868 1 12 . 1 1 90 90 SER H H 90 8.037 8.037 8.140 -0.103 17991 6869 1 12 . 1 1 91 91 LEU N N 91 120.855 120.855 121.758 -0.903 17991 6870 1 12 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.262 -0.114 17991 6871 1 12 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.367 1.046 17991 6872 1 12 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.942 0.233 17991 6873 1 12 . 1 1 91 91 LEU H H 91 8.445 8.445 7.218 1.227 17991 6874 1 12 . 1 1 92 92 THR N N 92 112.933 112.933 115.715 -2.782 17991 6875 1 12 . 1 1 92 92 THR HA H 92 3.904 3.904 3.879 0.025 17991 6876 1 12 . 1 1 92 92 THR CA C 92 67.390 67.390 67.475 -0.085 17991 6877 1 12 . 1 1 92 92 THR CB C 92 69.367 69.367 68.635 0.732 17991 6878 1 12 . 1 1 92 92 THR H H 92 8.383 8.383 7.762 0.621 17991 6879 1 12 . 1 1 93 93 GLU N N 93 120.387 120.387 120.360 0.027 17991 6880 1 12 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.638 -0.151 17991 6881 1 12 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.429 -0.284 17991 6882 1 12 . 1 1 93 93 GLU H H 93 7.971 7.971 8.230 -0.259 17991 6883 1 12 . 1 1 94 94 LYS N N 94 118.470 118.470 117.020 1.450 17991 6884 1 12 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.163 0.003 17991 6885 1 12 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.009 1.037 17991 6886 1 12 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.799 -0.452 17991 6887 1 12 . 1 1 94 94 LYS H H 94 7.804 7.804 7.963 -0.159 17991 6888 1 12 . 1 1 95 95 LEU N N 95 118.397 118.397 119.635 -1.238 17991 6889 1 12 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.323 -0.164 17991 6890 1 12 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.708 1.169 17991 6891 1 12 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.524 -0.575 17991 6892 1 12 . 1 1 95 95 LEU H H 95 8.256 8.256 7.615 0.641 17991 6893 1 12 . 1 1 96 96 LYS N N 96 117.747 117.747 119.298 -1.551 17991 6894 1 12 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.005 -0.065 17991 6895 1 12 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.722 0.560 17991 6896 1 12 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.196 0.153 17991 6897 1 12 . 1 1 96 96 LYS H H 96 8.105 8.105 8.729 -0.624 17991 6898 1 12 . 1 1 97 97 LYS N N 97 116.451 116.451 119.524 -3.073 17991 6899 1 12 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.190 -0.023 17991 6900 1 12 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.564 0.979 17991 6901 1 12 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.156 -0.005 17991 6902 1 12 . 1 1 97 97 LYS H H 97 7.520 7.520 7.527 -0.007 17991 6903 1 12 . 1 1 98 98 ILE N N 98 117.587 117.587 121.839 -4.252 17991 6904 1 12 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.809 0.121 17991 6905 1 12 . 1 1 98 98 ILE CA C 98 64.299 64.299 64.016 0.283 17991 6906 1 12 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.060 -0.312 17991 6907 1 12 . 1 1 98 98 ILE H H 98 7.782 7.782 7.504 0.278 17991 6908 1 12 . 1 1 99 99 VAL N N 99 116.989 116.989 116.808 0.181 17991 6909 1 12 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.665 0.160 17991 6910 1 12 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.389 0.574 17991 6911 1 12 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.326 0.156 17991 6912 1 12 . 1 1 99 99 VAL H H 99 7.917 7.917 7.506 0.411 17991 6913 1 12 . 1 1 100 100 GLU N N 100 116.782 116.782 119.824 -3.042 17991 6914 1 12 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.207 0.006 17991 6915 1 12 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.114 -0.140 17991 6916 1 12 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.360 -1.437 17991 6917 1 12 . 1 1 100 100 GLU H H 100 7.702 7.702 8.296 -0.594 17991 6918 1 12 . 1 1 101 101 LEU N N 101 118.218 118.218 120.373 -2.155 17991 6919 1 12 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.392 -0.237 17991 6920 1 12 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.455 -0.719 17991 6921 1 12 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.560 -1.521 17991 6922 1 12 . 1 1 101 101 LEU H H 101 7.751 7.751 7.756 -0.005 17991 6923 1 12 . 1 1 102 102 ILE N N 102 119.412 119.412 117.362 2.050 17991 6924 1 12 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.504 -0.777 17991 6925 1 12 . 1 1 102 102 ILE CA C 102 61.809 61.809 59.004 2.805 17991 6926 1 12 . 1 1 102 102 ILE H H 102 7.559 7.559 8.295 -0.736 17991 6927 1 12 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.375 0.212 17991 6928 1 12 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.368 -0.079 17991 6929 1 12 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.924 -0.038 17991 6930 1 12 . 1 1 104 104 SER N N 104 112.794 112.794 113.708 -0.914 17991 6931 1 12 . 1 1 104 104 SER HA H 104 4.571 4.571 4.296 0.275 17991 6932 1 12 . 1 1 104 104 SER CA C 104 59.286 59.286 60.516 -1.230 17991 6933 1 12 . 1 1 104 104 SER CB C 104 63.849 63.849 62.576 1.273 17991 6934 1 12 . 1 1 104 104 SER H H 104 8.100 8.100 8.363 -0.263 17991 6935 1 12 . 1 1 105 105 THR N N 105 114.655 114.655 117.479 -2.824 17991 6936 1 12 . 1 1 105 105 THR HA H 105 4.318 4.318 4.409 -0.091 17991 6937 1 12 . 1 1 105 105 THR CA C 105 64.056 64.056 64.016 0.040 17991 6938 1 12 . 1 1 105 105 THR CB C 105 69.861 69.861 69.142 0.719 17991 6939 1 12 . 1 1 105 105 THR H H 105 8.186 8.186 7.554 0.632 17991 6940 1 12 . 1 1 106 106 SER N N 106 116.165 116.165 118.449 -2.284 17991 6941 1 12 . 1 1 106 106 SER HA H 106 4.344 4.344 4.103 0.241 17991 6942 1 12 . 1 1 106 106 SER CA C 106 60.864 60.864 61.537 -0.673 17991 6943 1 12 . 1 1 106 106 SER CB C 106 63.462 63.462 62.699 0.763 17991 6944 1 12 . 1 1 106 106 SER H H 106 8.200 8.200 8.152 0.048 17991 6945 1 12 . 1 1 107 107 SER N N 107 116.732 116.732 118.701 -1.969 17991 6946 1 12 . 1 1 107 107 SER HA H 107 4.413 4.413 4.253 0.160 17991 6947 1 12 . 1 1 107 107 SER CA C 107 60.051 60.051 60.670 -0.619 17991 6948 1 12 . 1 1 107 107 SER CB C 107 63.921 63.921 63.064 0.857 17991 6949 1 12 . 1 1 107 107 SER H H 107 8.114 8.114 8.065 0.049 17991 6950 1 12 . 1 1 108 108 ALA N N 108 122.523 122.523 122.530 -0.007 17991 6951 1 12 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.281 0.153 17991 6952 1 12 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.527 -0.045 17991 6953 1 12 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.771 0.560 17991 6954 1 12 . 1 1 108 108 ALA H H 108 8.022 8.022 8.008 0.014 17991 6955 1 12 . 1 1 109 109 VAL N N 109 117.146 117.146 121.297 -4.151 17991 6956 1 12 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.751 0.037 17991 6957 1 12 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.499 -1.663 17991 6958 1 12 . 1 1 109 109 VAL H H 109 7.829 7.829 8.322 -0.493 17991 6959 1 12 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.347 0.133 17991 6960 1 12 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.934 0.511 17991 6961 1 12 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.217 0.162 17991 6962 1 12 . 1 1 111 111 LEU N N 111 117.393 117.393 118.915 -1.522 17991 6963 1 12 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.361 -0.148 17991 6964 1 12 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.705 1.077 17991 6965 1 12 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.236 0.212 17991 6966 1 12 . 1 1 111 111 LEU H H 111 7.538 7.538 7.615 -0.077 17991 6967 1 12 . 1 1 112 112 ILE N N 112 117.001 117.001 119.457 -2.456 17991 6968 1 12 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.251 -0.250 17991 6969 1 12 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.337 1.289 17991 6970 1 12 . 1 1 112 112 ILE H H 112 8.118 8.118 8.863 -0.745 17991 6971 1 12 . 1 1 113 113 GLY N N 113 106.840 106.840 108.754 -1.914 17991 6972 1 12 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.185 0.586 17991 6973 1 12 . 1 1 113 113 GLY H H 113 8.409 8.409 8.570 -0.161 17991 6974 1 12 . 1 1 114 114 LYS N N 114 120.736 120.736 121.713 -0.977 17991 6975 1 12 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.961 0.159 17991 6976 1 12 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.817 0.321 17991 6977 1 12 . 1 1 114 114 LYS H H 114 7.847 7.847 7.465 0.382 17991 6978 1 12 . 1 1 115 115 TYR N N 115 117.055 117.055 117.470 -0.415 17991 6979 1 12 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.605 -0.333 17991 6980 1 12 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.460 -0.030 17991 6981 1 12 . 1 1 115 115 TYR H H 115 7.891 7.891 7.972 -0.081 17991 6982 1 12 . 1 1 116 116 MET H H 116 8.170 8.170 7.836 0.334 17991 6983 1 12 . 1 1 117 117 LEU N N 117 117.768 117.768 118.285 -0.517 17991 6984 1 12 . 1 1 117 117 LEU HA H 117 3.909 3.909 3.990 -0.081 17991 6985 1 12 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.291 1.303 17991 6986 1 12 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.561 -0.225 17991 6987 1 12 . 1 1 117 117 LEU H H 117 7.781 7.781 7.662 0.119 17991 6988 1 12 . 1 1 118 118 PHE N N 118 118.204 118.204 119.446 -1.242 17991 6989 1 12 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.151 0.277 17991 6990 1 12 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.814 -1.079 17991 6991 1 12 . 1 1 118 118 PHE H H 118 8.024 8.024 7.777 0.247 17991 6992 1 12 . 1 1 119 119 THR N N 119 114.941 114.941 114.871 0.070 17991 6993 1 12 . 1 1 119 119 THR HA H 119 3.972 3.972 4.074 -0.102 17991 6994 1 12 . 1 1 119 119 THR CA C 119 67.518 67.518 67.137 0.381 17991 6995 1 12 . 1 1 119 119 THR CB C 119 69.194 69.194 68.671 0.523 17991 6996 1 12 . 1 1 119 119 THR H H 119 8.171 8.171 8.044 0.127 17991 6997 1 12 . 1 1 120 120 LYS N N 120 121.758 121.758 121.174 0.584 17991 6998 1 12 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.988 -0.008 17991 6999 1 12 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.965 0.846 17991 7000 1 12 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.204 0.311 17991 7001 1 12 . 1 1 120 120 LYS H H 120 8.359 8.359 7.892 0.467 17991 7002 1 12 . 1 1 121 121 GLU N N 121 117.504 117.504 115.656 1.848 17991 7003 1 12 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.221 -0.007 17991 7004 1 12 . 1 1 121 121 GLU CA C 121 59.240 59.240 57.735 1.505 17991 7005 1 12 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.980 -1.597 17991 7006 1 12 . 1 1 121 121 GLU H H 121 8.222 8.222 7.718 0.504 17991 7007 1 12 . 1 1 122 122 PHE N N 122 121.586 121.586 119.206 2.380 17991 7008 1 12 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.472 -0.178 17991 7009 1 12 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.273 1.301 17991 7010 1 12 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.092 -0.733 17991 7011 1 12 . 1 1 122 122 PHE H H 122 8.562 8.562 7.555 1.007 17991 7012 1 12 . 1 1 123 123 VAL N N 123 121.558 121.558 120.780 0.778 17991 7013 1 12 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.778 -0.262 17991 7014 1 12 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.758 1.850 17991 7015 1 12 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.299 0.162 17991 7016 1 12 . 1 1 123 123 VAL H H 123 8.784 8.784 9.014 -0.230 17991 7017 1 12 . 1 1 124 124 GLU N N 124 118.314 118.314 120.075 -1.761 17991 7018 1 12 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.046 -0.004 17991 7019 1 12 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.184 1.023 17991 7020 1 12 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.940 -0.515 17991 7021 1 12 . 1 1 124 124 GLU H H 124 8.564 8.564 8.549 0.015 17991 7022 1 12 . 1 1 125 125 SER N N 125 114.779 114.779 115.137 -0.358 17991 7023 1 12 . 1 1 125 125 SER HA H 125 4.265 4.265 4.161 0.104 17991 7024 1 12 . 1 1 125 125 SER CA C 125 62.342 62.342 60.730 1.612 17991 7025 1 12 . 1 1 125 125 SER CB C 125 63.162 63.162 62.868 0.294 17991 7026 1 12 . 1 1 125 125 SER H H 125 8.348 8.348 8.163 0.185 17991 7027 1 12 . 1 1 126 126 SER N N 126 118.464 118.464 118.360 0.104 17991 7028 1 12 . 1 1 126 126 SER HA H 126 4.069 4.069 4.420 -0.351 17991 7029 1 12 . 1 1 126 126 SER CA C 126 62.846 62.846 62.071 0.775 17991 7030 1 12 . 1 1 126 126 SER H H 126 8.144 8.144 7.932 0.212 17991 7031 1 12 . 1 1 127 127 ILE N N 127 124.705 124.705 118.401 6.304 17991 7032 1 12 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.154 -0.473 17991 7033 1 12 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.574 2.067 17991 7034 1 12 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.325 0.709 17991 7035 1 12 . 1 1 127 127 ILE H H 127 8.280 8.280 8.073 0.207 17991 7036 1 12 . 1 1 128 128 LYS N N 128 119.907 119.907 121.323 -1.416 17991 7037 1 12 . 1 1 128 128 LYS CA C 128 59.885 59.885 58.826 1.059 17991 7038 1 12 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.560 -0.312 17991 7039 1 12 . 1 1 128 128 LYS H H 128 7.741 7.741 7.508 0.233 17991 7040 1 12 . 1 1 129 129 ILE N N 129 118.807 118.807 117.754 1.053 17991 7041 1 12 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.896 0.211 17991 7042 1 12 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.796 -0.404 17991 7043 1 12 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.388 -0.338 17991 7044 1 12 . 1 1 129 129 ILE H H 129 8.215 8.215 7.870 0.345 17991 7045 1 12 . 1 1 130 130 THR N N 130 117.328 117.328 113.606 3.722 17991 7046 1 12 . 1 1 130 130 THR HA H 130 3.921 3.921 3.915 0.006 17991 7047 1 12 . 1 1 130 130 THR CA C 130 68.210 68.210 65.206 3.004 17991 7048 1 12 . 1 1 130 130 THR H H 130 7.988 7.988 8.273 -0.285 17991 7049 1 12 . 1 1 131 131 GLU N N 131 118.968 118.968 121.568 -2.600 17991 7050 1 12 . 1 1 131 131 GLU HA H 131 3.978 3.978 3.993 -0.015 17991 7051 1 12 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.937 0.663 17991 7052 1 12 . 1 1 131 131 GLU H H 131 8.439 8.439 7.761 0.678 17991 7053 1 12 . 1 1 132 132 GLU N N 132 118.712 118.712 117.756 0.956 17991 7054 1 12 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.262 -0.036 17991 7055 1 12 . 1 1 132 132 GLU CA C 132 59.267 59.267 57.874 1.393 17991 7056 1 12 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.682 -1.063 17991 7057 1 12 . 1 1 132 132 GLU H H 132 7.987 7.987 7.711 0.276 17991 7058 1 12 . 1 1 133 133 VAL N N 133 120.060 120.060 120.708 -0.648 17991 7059 1 12 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.024 -0.157 17991 7060 1 12 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.768 2.562 17991 7061 1 12 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.032 0.124 17991 7062 1 12 . 1 1 133 133 VAL H H 133 8.341 8.341 7.946 0.395 17991 7063 1 12 . 1 1 134 134 ILE N N 134 119.699 119.699 120.242 -0.543 17991 7064 1 12 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.091 -0.231 17991 7065 1 12 . 1 1 134 134 ILE CA C 134 65.184 65.184 61.780 3.404 17991 7066 1 12 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.920 -0.018 17991 7067 1 12 . 1 1 134 134 ILE H H 134 8.331 8.331 7.682 0.649 17991 7068 1 12 . 1 1 135 135 ASN N N 135 117.396 117.396 116.472 0.924 17991 7069 1 12 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.638 0.037 17991 7070 1 12 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.768 -0.263 17991 7071 1 12 . 1 1 135 135 ASN CB C 135 39.127 39.127 39.039 0.088 17991 7072 1 12 . 1 1 135 135 ASN H H 135 8.318 8.318 8.049 0.269 17991 7073 1 12 . 1 1 136 136 THR N N 136 111.419 111.419 114.421 -3.002 17991 7074 1 12 . 1 1 136 136 THR HA H 136 4.308 4.308 4.305 0.003 17991 7075 1 12 . 1 1 136 136 THR CA C 136 63.872 63.872 66.017 -2.145 17991 7076 1 12 . 1 1 136 136 THR CB C 136 69.779 69.779 69.413 0.366 17991 7077 1 12 . 1 1 136 136 THR H H 136 8.006 8.006 7.506 0.500 17991 7078 1 12 . 1 1 137 137 HIS N N 137 118.612 118.612 120.642 -2.030 17991 7079 1 12 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.361 0.342 17991 7080 1 12 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.826 -2.366 17991 7081 1 12 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.028 -1.316 17991 7082 1 12 . 1 1 137 137 HIS H H 137 8.013 8.013 8.271 -0.258 17991 7083 1 12 . 1 1 138 138 HIS N N 138 118.709 118.709 117.476 1.233 17991 7084 1 12 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.225 0.601 17991 7085 1 12 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.334 -2.820 17991 7086 1 12 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.791 -1.545 17991 7087 1 12 . 1 1 138 138 HIS H H 138 8.169 8.169 7.903 0.266 17991 7088 1 12 . 1 1 139 139 ARG N N 139 123.025 123.025 119.640 3.385 17991 7089 1 12 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.032 0.534 17991 7090 1 12 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.101 -1.707 17991 7091 1 12 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.598 0.423 17991 7092 1 12 . 1 1 139 139 ARG H H 139 8.419 8.419 8.039 0.380 17991 7093 1 13 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.944 -0.206 17991 7094 1 13 . 1 1 8 8 HIS CA C 8 55.776 55.776 55.429 0.347 17991 7095 1 13 . 1 1 8 8 HIS CB C 8 29.344 29.344 30.725 -1.381 17991 7096 1 13 . 1 1 8 8 HIS H H 8 8.686 8.686 8.055 0.631 17991 7097 1 13 . 1 1 9 9 ALA N N 9 124.079 124.079 125.901 -1.822 17991 7098 1 13 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.399 -0.012 17991 7099 1 13 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.812 0.475 17991 7100 1 13 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.003 -0.828 17991 7101 1 13 . 1 1 9 9 ALA H H 9 8.457 8.457 8.401 0.056 17991 7102 1 13 . 1 1 10 10 MET N N 10 120.430 120.430 119.698 0.732 17991 7103 1 13 . 1 1 10 10 MET HA H 10 4.390 4.390 4.221 0.169 17991 7104 1 13 . 1 1 10 10 MET CA C 10 57.753 57.753 58.628 -0.875 17991 7105 1 13 . 1 1 10 10 MET CB C 10 32.355 32.355 33.292 -0.938 17991 7106 1 13 . 1 1 10 10 MET H H 10 8.545 8.545 8.398 0.147 17991 7107 1 13 . 1 1 11 11 VAL N N 11 119.159 119.159 116.221 2.938 17991 7108 1 13 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.930 0.086 17991 7109 1 13 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.607 0.664 17991 7110 1 13 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.056 0.555 17991 7111 1 13 . 1 1 11 11 VAL H H 11 8.339 8.339 8.227 0.112 17991 7112 1 13 . 1 1 12 12 ILE N N 12 119.461 119.461 119.090 0.371 17991 7113 1 13 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.999 -0.046 17991 7114 1 13 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.285 1.049 17991 7115 1 13 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.328 -0.832 17991 7116 1 13 . 1 1 12 12 ILE H H 12 7.705 7.705 7.861 -0.156 17991 7117 1 13 . 1 1 13 13 ASP N N 13 119.460 119.460 118.880 0.580 17991 7118 1 13 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.669 -0.285 17991 7119 1 13 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.728 1.796 17991 7120 1 13 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.255 -1.843 17991 7121 1 13 . 1 1 13 13 ASP H H 13 8.172 8.172 7.825 0.347 17991 7122 1 13 . 1 1 14 14 HIS N N 14 116.421 116.421 117.963 -1.542 17991 7123 1 13 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.551 -0.011 17991 7124 1 13 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.709 0.039 17991 7125 1 13 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.943 -2.291 17991 7126 1 13 . 1 1 14 14 HIS H H 14 8.138 8.138 7.750 0.388 17991 7127 1 13 . 1 1 15 15 ILE N N 15 119.970 119.970 119.595 0.375 17991 7128 1 13 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.930 -0.122 17991 7129 1 13 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.155 1.249 17991 7130 1 13 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.002 0.785 17991 7131 1 13 . 1 1 15 15 ILE H H 15 8.224 8.224 7.926 0.298 17991 7132 1 13 . 1 1 16 16 LEU N N 16 118.635 118.635 122.525 -3.890 17991 7133 1 13 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.946 0.046 17991 7134 1 13 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.579 0.207 17991 7135 1 13 . 1 1 16 16 LEU H H 16 8.480 8.480 8.047 0.433 17991 7136 1 13 . 1 1 17 17 LYS N N 17 118.257 118.257 118.571 -0.314 17991 7137 1 13 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.064 0.030 17991 7138 1 13 . 1 1 17 17 LYS CA C 17 59.882 59.882 58.903 0.979 17991 7139 1 13 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.658 0.558 17991 7140 1 13 . 1 1 17 17 LYS H H 17 8.098 8.098 7.986 0.112 17991 7141 1 13 . 1 1 18 18 CYS N N 18 117.220 117.220 117.713 -0.493 17991 7142 1 13 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.282 0.047 17991 7143 1 13 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.449 0.769 17991 7144 1 13 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.531 -0.709 17991 7145 1 13 . 1 1 18 18 CYS H H 18 7.899 7.899 8.124 -0.225 17991 7146 1 13 . 1 1 19 19 VAL N N 19 118.929 118.929 119.741 -0.812 17991 7147 1 13 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.974 -0.249 17991 7148 1 13 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.938 2.143 17991 7149 1 13 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.069 -0.012 17991 7150 1 13 . 1 1 19 19 VAL H H 19 8.352 8.352 7.278 1.074 17991 7151 1 13 . 1 1 20 20 PHE N N 20 120.244 120.244 119.700 0.544 17991 7152 1 13 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.238 0.036 17991 7153 1 13 . 1 1 20 20 PHE CA C 20 61.626 61.626 60.460 1.166 17991 7154 1 13 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.404 -0.324 17991 7155 1 13 . 1 1 20 20 PHE H H 20 8.791 8.791 8.817 -0.026 17991 7156 1 13 . 1 1 21 21 ASP N N 21 118.761 118.761 120.320 -1.559 17991 7157 1 13 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.396 -0.033 17991 7158 1 13 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.286 0.231 17991 7159 1 13 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.803 -0.735 17991 7160 1 13 . 1 1 21 21 ASP H H 21 8.705 8.705 7.929 0.776 17991 7161 1 13 . 1 1 22 22 LYS N N 22 118.200 118.200 119.573 -1.373 17991 7162 1 13 . 1 1 22 22 LYS HA H 22 4.194 4.194 3.963 0.231 17991 7163 1 13 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.042 -0.449 17991 7164 1 13 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.160 0.139 17991 7165 1 13 . 1 1 22 22 LYS H H 22 7.810 7.810 7.517 0.293 17991 7166 1 13 . 1 1 23 23 ILE N N 23 118.534 118.534 119.526 -0.992 17991 7167 1 13 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.556 0.225 17991 7168 1 13 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.927 0.169 17991 7169 1 13 . 1 1 23 23 ILE H H 23 8.351 8.351 7.398 0.953 17991 7170 1 13 . 1 1 24 24 CYS N N 24 117.155 117.155 114.598 2.557 17991 7171 1 13 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.160 -0.111 17991 7172 1 13 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.631 0.868 17991 7173 1 13 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.642 -1.016 17991 7174 1 13 . 1 1 24 24 CYS H H 24 8.203 8.203 7.795 0.408 17991 7175 1 13 . 1 1 25 25 LYS N N 25 119.995 119.995 122.005 -2.010 17991 7176 1 13 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.482 -0.720 17991 7177 1 13 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.525 -0.140 17991 7178 1 13 . 1 1 25 25 LYS H H 25 7.760 7.760 7.286 0.474 17991 7179 1 13 . 1 1 26 26 ILE N N 26 119.168 119.168 113.161 6.007 17991 7180 1 13 . 1 1 26 26 ILE HA H 26 3.974 3.974 4.113 -0.139 17991 7181 1 13 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.929 1.177 17991 7182 1 13 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.674 -0.118 17991 7183 1 13 . 1 1 26 26 ILE H H 26 8.055 8.055 7.766 0.289 17991 7184 1 13 . 1 1 27 27 GLY N N 27 108.257 108.257 108.162 0.095 17991 7185 1 13 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.913 0.076 17991 7186 1 13 . 1 1 27 27 GLY H H 27 8.568 8.568 8.101 0.467 17991 7187 1 13 . 1 1 28 28 THR N N 28 112.727 112.727 112.292 0.435 17991 7188 1 13 . 1 1 28 28 THR HA H 28 3.912 3.912 4.312 -0.400 17991 7189 1 13 . 1 1 28 28 THR CA C 28 64.717 64.717 64.080 0.637 17991 7190 1 13 . 1 1 28 28 THR CB C 28 69.375 69.375 69.271 0.104 17991 7191 1 13 . 1 1 28 28 THR H H 28 8.059 8.059 7.359 0.700 17991 7192 1 13 . 1 1 29 29 GLU N N 29 120.068 120.068 122.674 -2.606 17991 7193 1 13 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.974 -1.370 17991 7194 1 13 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.433 0.660 17991 7195 1 13 . 1 1 29 29 GLU H H 29 8.113 8.113 7.907 0.206 17991 7196 1 13 . 1 1 30 30 SER N N 30 114.882 114.882 114.431 0.451 17991 7197 1 13 . 1 1 30 30 SER HA H 30 4.374 4.374 4.212 0.162 17991 7198 1 13 . 1 1 30 30 SER CA C 30 60.353 60.353 60.421 -0.068 17991 7199 1 13 . 1 1 30 30 SER H H 30 8.060 8.060 7.599 0.461 17991 7200 1 13 . 1 1 31 31 VAL N N 31 122.098 122.098 118.967 3.131 17991 7201 1 13 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.881 0.136 17991 7202 1 13 . 1 1 31 31 VAL CA C 31 64.627 64.627 64.975 -0.348 17991 7203 1 13 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.223 0.762 17991 7204 1 13 . 1 1 31 31 VAL H H 31 8.127 8.127 7.503 0.624 17991 7205 1 13 . 1 1 32 32 GLU N N 32 120.280 120.280 120.235 0.045 17991 7206 1 13 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.179 0.139 17991 7207 1 13 . 1 1 32 32 GLU CA C 32 57.887 57.887 58.845 -0.958 17991 7208 1 13 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.598 -0.945 17991 7209 1 13 . 1 1 32 32 GLU H H 32 8.243 8.243 7.408 0.835 17991 7210 1 13 . 1 1 33 33 ALA N N 33 121.715 121.715 121.880 -0.165 17991 7211 1 13 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.060 0.129 17991 7212 1 13 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.489 0.235 17991 7213 1 13 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.199 0.529 17991 7214 1 13 . 1 1 33 33 ALA H H 33 8.218 8.218 7.643 0.575 17991 7215 1 13 . 1 1 34 34 GLY N N 34 104.656 104.656 105.683 -1.027 17991 7216 1 13 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.713 0.361 17991 7217 1 13 . 1 1 34 34 GLY H H 34 8.308 8.308 7.876 0.432 17991 7218 1 13 . 1 1 35 35 ARG N N 35 119.958 119.958 121.133 -1.175 17991 7219 1 13 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.408 -0.132 17991 7220 1 13 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.239 1.786 17991 7221 1 13 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.563 0.726 17991 7222 1 13 . 1 1 35 35 ARG H H 35 7.975 7.975 7.694 0.281 17991 7223 1 13 . 1 1 36 36 LEU N N 36 118.931 118.931 121.548 -2.617 17991 7224 1 13 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.154 0.070 17991 7225 1 13 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.097 -0.294 17991 7226 1 13 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.985 0.208 17991 7227 1 13 . 1 1 36 36 LEU H H 36 7.958 7.958 8.345 -0.387 17991 7228 1 13 . 1 1 37 37 ILE N N 37 118.087 118.087 119.113 -1.026 17991 7229 1 13 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.644 0.287 17991 7230 1 13 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.655 0.204 17991 7231 1 13 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.451 0.588 17991 7232 1 13 . 1 1 37 37 ILE H H 37 7.904 7.904 8.080 -0.176 17991 7233 1 13 . 1 1 38 38 GLU N N 38 120.989 120.989 119.670 1.319 17991 7234 1 13 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.918 0.313 17991 7235 1 13 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.739 -1.294 17991 7236 1 13 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.322 -0.311 17991 7237 1 13 . 1 1 38 38 GLU H H 38 8.041 8.041 7.551 0.490 17991 7238 1 13 . 1 1 39 39 LEU N N 39 120.111 120.111 118.880 1.231 17991 7239 1 13 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.128 0.143 17991 7240 1 13 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.309 0.102 17991 7241 1 13 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.977 1.318 17991 7242 1 13 . 1 1 39 39 LEU H H 39 8.173 8.173 7.716 0.457 17991 7243 1 13 . 1 1 40 40 SER N N 40 113.806 113.806 112.274 1.532 17991 7244 1 13 . 1 1 40 40 SER HA H 40 4.312 4.312 4.204 0.108 17991 7245 1 13 . 1 1 40 40 SER CA C 40 60.406 60.406 60.744 -0.338 17991 7246 1 13 . 1 1 40 40 SER CB C 40 63.646 63.646 63.325 0.321 17991 7247 1 13 . 1 1 40 40 SER H H 40 8.031 8.031 7.575 0.456 17991 7248 1 13 . 1 1 41 41 GLN N N 41 120.139 120.139 118.205 1.934 17991 7249 1 13 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.205 0.191 17991 7250 1 13 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.783 -1.182 17991 7251 1 13 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.480 -0.095 17991 7252 1 13 . 1 1 41 41 GLN H H 41 7.956 7.956 7.736 0.220 17991 7253 1 13 . 1 1 42 42 GLU N N 42 119.728 119.728 115.014 4.714 17991 7254 1 13 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.361 0.012 17991 7255 1 13 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.882 0.207 17991 7256 1 13 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.434 -2.079 17991 7257 1 13 . 1 1 42 42 GLU H H 42 8.114 8.114 8.568 -0.454 17991 7258 1 13 . 1 1 43 43 GLY N N 43 108.655 108.655 109.114 -0.459 17991 7259 1 13 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.057 -0.434 17991 7260 1 13 . 1 1 43 43 GLY H H 43 8.325 8.325 8.004 0.321 17991 7261 1 13 . 1 1 44 44 GLY N N 44 107.872 107.872 106.084 1.788 17991 7262 1 13 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.714 1.773 17991 7263 1 13 . 1 1 44 44 GLY H H 44 8.105 8.105 7.851 0.254 17991 7264 1 13 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.939 1.456 17991 7265 1 13 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.477 -0.008 17991 7266 1 13 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.271 1.159 17991 7267 1 13 . 1 1 49 49 PRO CB C 49 32.321 32.321 32.003 0.318 17991 7268 1 13 . 1 1 50 50 LEU N N 50 116.864 116.864 118.380 -1.516 17991 7269 1 13 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.199 0.003 17991 7270 1 13 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.513 0.036 17991 7271 1 13 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.467 0.232 17991 7272 1 13 . 1 1 50 50 LEU H H 50 8.336 8.336 8.029 0.307 17991 7273 1 13 . 1 1 51 51 TYR N N 51 118.433 118.433 121.086 -2.653 17991 7274 1 13 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.136 0.029 17991 7275 1 13 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.984 0.050 17991 7276 1 13 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.230 0.254 17991 7277 1 13 . 1 1 51 51 TYR H H 51 7.765 7.765 7.818 -0.053 17991 7278 1 13 . 1 1 52 52 PHE N N 52 117.945 117.945 119.393 -1.448 17991 7279 1 13 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.604 0.656 17991 7280 1 13 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.928 0.323 17991 7281 1 13 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.097 0.222 17991 7282 1 13 . 1 1 52 52 PHE H H 52 7.873 7.873 7.779 0.094 17991 7283 1 13 . 1 1 53 53 VAL N N 53 117.468 117.468 118.474 -1.006 17991 7284 1 13 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.408 0.244 17991 7285 1 13 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.682 0.616 17991 7286 1 13 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.492 0.318 17991 7287 1 13 . 1 1 53 53 VAL H H 53 7.864 7.864 7.384 0.480 17991 7288 1 13 . 1 1 54 54 VAL N N 54 116.929 116.929 120.795 -3.866 17991 7289 1 13 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.723 -0.021 17991 7290 1 13 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.163 -0.096 17991 7291 1 13 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.634 0.167 17991 7292 1 13 . 1 1 54 54 VAL H H 54 7.958 7.958 8.163 -0.205 17991 7293 1 13 . 1 1 55 55 ASN N N 55 115.543 115.543 117.732 -2.189 17991 7294 1 13 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.554 0.076 17991 7295 1 13 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.374 0.085 17991 7296 1 13 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.055 0.874 17991 7297 1 13 . 1 1 55 55 ASN H H 55 7.823 7.823 7.997 -0.174 17991 7298 1 13 . 1 1 56 56 VAL N N 56 116.125 116.125 117.903 -1.778 17991 7299 1 13 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.822 0.275 17991 7300 1 13 . 1 1 56 56 VAL CA C 56 64.139 64.139 62.610 1.529 17991 7301 1 13 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.822 -0.819 17991 7302 1 13 . 1 1 56 56 VAL H H 56 7.664 7.664 7.224 0.440 17991 7303 1 13 . 1 1 57 57 ILE N N 57 116.872 116.872 117.500 -0.628 17991 7304 1 13 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.936 0.073 17991 7305 1 13 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.567 0.983 17991 7306 1 13 . 1 1 57 57 ILE CB C 57 37.763 37.763 37.463 0.300 17991 7307 1 13 . 1 1 57 57 ILE H H 57 7.587 7.587 7.515 0.072 17991 7308 1 13 . 1 1 58 58 GLU N N 58 118.190 118.190 120.672 -2.482 17991 7309 1 13 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.137 0.062 17991 7310 1 13 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.808 -1.503 17991 7311 1 13 . 1 1 58 58 GLU H H 58 8.114 8.114 7.632 0.482 17991 7312 1 13 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.379 0.130 17991 7313 1 13 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.001 0.560 17991 7314 1 13 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.223 0.243 17991 7315 1 13 . 1 1 60 60 CYS N N 60 115.035 115.035 117.543 -2.508 17991 7316 1 13 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.132 0.136 17991 7317 1 13 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.825 -0.713 17991 7318 1 13 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.463 -0.473 17991 7319 1 13 . 1 1 60 60 CYS H H 60 7.913 7.913 7.970 -0.057 17991 7320 1 13 . 1 1 61 61 LYS N N 61 121.184 121.184 119.991 1.193 17991 7321 1 13 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.965 0.307 17991 7322 1 13 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.922 -0.833 17991 7323 1 13 . 1 1 61 61 LYS CB C 61 32.428 32.428 31.962 0.467 17991 7324 1 13 . 1 1 61 61 LYS H H 61 8.197 8.197 7.848 0.349 17991 7325 1 13 . 1 1 62 62 LYS N N 62 118.253 118.253 117.505 0.748 17991 7326 1 13 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.008 -1.164 17991 7327 1 13 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.177 -0.087 17991 7328 1 13 . 1 1 62 62 LYS H H 62 7.982 7.982 8.081 -0.099 17991 7329 1 13 . 1 1 63 63 PHE N N 63 118.763 118.763 118.297 0.466 17991 7330 1 13 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.426 -0.171 17991 7331 1 13 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.548 0.986 17991 7332 1 13 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.476 -0.326 17991 7333 1 13 . 1 1 63 63 PHE H H 63 8.155 8.155 7.617 0.538 17991 7334 1 13 . 1 1 64 64 SER N N 64 114.881 114.881 115.371 -0.490 17991 7335 1 13 . 1 1 64 64 SER HA H 64 4.268 4.268 3.787 0.481 17991 7336 1 13 . 1 1 64 64 SER CA C 64 61.588 61.588 61.242 0.346 17991 7337 1 13 . 1 1 64 64 SER CB C 64 63.175 63.175 62.736 0.439 17991 7338 1 13 . 1 1 64 64 SER H H 64 8.218 8.218 8.045 0.173 17991 7339 1 13 . 1 1 65 65 GLU N N 65 120.937 120.937 119.852 1.085 17991 7340 1 13 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.071 0.213 17991 7341 1 13 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.411 -0.200 17991 7342 1 13 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.415 -0.453 17991 7343 1 13 . 1 1 65 65 GLU H H 65 8.067 8.067 8.005 0.062 17991 7344 1 13 . 1 1 66 66 LEU N N 66 118.904 118.904 119.710 -0.806 17991 7345 1 13 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.109 0.154 17991 7346 1 13 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.294 -0.072 17991 7347 1 13 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.842 0.483 17991 7348 1 13 . 1 1 66 66 LEU H H 66 8.003 8.003 7.814 0.189 17991 7349 1 13 . 1 1 67 67 THR N N 67 108.190 108.190 111.849 -3.659 17991 7350 1 13 . 1 1 67 67 THR HA H 67 4.043 4.043 4.057 -0.014 17991 7351 1 13 . 1 1 67 67 THR CA C 67 64.579 64.579 65.461 -0.882 17991 7352 1 13 . 1 1 67 67 THR CB C 67 69.410 69.410 68.341 1.069 17991 7353 1 13 . 1 1 67 67 THR H H 67 7.783 7.783 7.274 0.508 17991 7354 1 13 . 1 1 68 68 GLY N N 68 108.141 108.141 108.337 -0.196 17991 7355 1 13 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.339 0.905 17991 7356 1 13 . 1 1 68 68 GLY H H 68 7.964 7.964 7.424 0.540 17991 7357 1 13 . 1 1 69 69 LEU N N 69 120.124 120.124 121.091 -0.967 17991 7358 1 13 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.676 -0.324 17991 7359 1 13 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.601 0.885 17991 7360 1 13 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.602 -0.228 17991 7361 1 13 . 1 1 69 69 LEU H H 69 7.749 7.749 7.542 0.207 17991 7362 1 13 . 1 1 70 70 VAL N N 70 115.546 115.546 118.570 -3.024 17991 7363 1 13 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.849 0.086 17991 7364 1 13 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.476 -1.846 17991 7365 1 13 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.452 -0.188 17991 7366 1 13 . 1 1 70 70 VAL H H 70 7.607 7.607 7.599 0.008 17991 7367 1 13 . 1 1 71 71 PHE N N 71 119.035 119.035 114.987 4.048 17991 7368 1 13 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.355 0.203 17991 7369 1 13 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.067 -0.520 17991 7370 1 13 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.742 -0.442 17991 7371 1 13 . 1 1 71 71 PHE H H 71 7.618 7.618 7.805 -0.187 17991 7372 1 13 . 1 1 72 72 TYR N N 72 118.365 118.365 118.739 -0.374 17991 7373 1 13 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.495 0.084 17991 7374 1 13 . 1 1 72 72 TYR CA C 72 58.097 58.097 58.998 -0.901 17991 7375 1 13 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.610 -1.366 17991 7376 1 13 . 1 1 72 72 TYR H H 72 7.740 7.740 7.883 -0.143 17991 7377 1 13 . 1 1 73 73 LEU N N 73 121.184 121.184 118.614 2.570 17991 7378 1 13 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.751 -0.176 17991 7379 1 13 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.540 1.009 17991 7380 1 13 . 1 1 73 73 LEU CB C 73 42.081 42.081 44.490 -2.409 17991 7381 1 13 . 1 1 73 73 LEU H H 73 7.713 7.713 7.491 0.222 17991 7382 1 13 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.562 0.076 17991 7383 1 13 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.763 0.441 17991 7384 1 13 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.148 -0.467 17991 7385 1 13 . 1 1 75 75 THR N N 75 113.231 113.231 115.776 -2.545 17991 7386 1 13 . 1 1 75 75 THR HA H 75 4.339 4.339 4.343 -0.004 17991 7387 1 13 . 1 1 75 75 THR CA C 75 62.684 62.684 62.013 0.671 17991 7388 1 13 . 1 1 75 75 THR H H 75 8.217 8.217 8.092 0.125 17991 7389 1 13 . 1 1 76 76 ASP N N 76 120.892 120.892 118.625 2.267 17991 7390 1 13 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.437 0.353 17991 7391 1 13 . 1 1 76 76 ASP CA C 76 54.239 54.239 54.009 0.230 17991 7392 1 13 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.494 -2.179 17991 7393 1 13 . 1 1 76 76 ASP H H 76 8.406 8.406 7.252 1.154 17991 7394 1 13 . 1 1 77 77 SER N N 77 115.861 115.861 115.868 -0.007 17991 7395 1 13 . 1 1 77 77 SER HA H 77 4.345 4.345 4.303 0.042 17991 7396 1 13 . 1 1 77 77 SER CA C 77 60.528 60.528 59.562 0.966 17991 7397 1 13 . 1 1 77 77 SER CB C 77 63.812 63.812 63.558 0.254 17991 7398 1 13 . 1 1 77 77 SER H H 77 8.238 8.238 8.652 -0.414 17991 7399 1 13 . 1 1 78 78 GLY N N 78 110.440 110.440 106.510 3.930 17991 7400 1 13 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.157 1.496 17991 7401 1 13 . 1 1 78 78 GLY H H 78 8.570 8.570 7.553 1.017 17991 7402 1 13 . 1 1 79 79 GLU N N 79 121.242 121.242 121.446 -0.204 17991 7403 1 13 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.078 0.242 17991 7404 1 13 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.743 -1.725 17991 7405 1 13 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.782 -0.700 17991 7406 1 13 . 1 1 79 79 GLU H H 79 8.237 8.237 8.473 -0.236 17991 7407 1 13 . 1 1 80 80 LYS N N 80 119.708 119.708 118.663 1.045 17991 7408 1 13 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.279 0.040 17991 7409 1 13 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.158 -0.277 17991 7410 1 13 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.832 0.914 17991 7411 1 13 . 1 1 80 80 LYS H H 80 8.252 8.252 8.502 -0.250 17991 7412 1 13 . 1 1 81 81 MET N N 81 119.849 119.849 118.660 1.189 17991 7413 1 13 . 1 1 81 81 MET HA H 81 4.367 4.367 4.338 0.029 17991 7414 1 13 . 1 1 81 81 MET CA C 81 57.845 57.845 59.084 -1.239 17991 7415 1 13 . 1 1 81 81 MET CB C 81 32.658 32.658 32.316 0.342 17991 7416 1 13 . 1 1 81 81 MET H H 81 8.419 8.419 7.815 0.604 17991 7417 1 13 . 1 1 82 82 THR N N 82 114.947 114.947 113.948 0.999 17991 7418 1 13 . 1 1 82 82 THR HA H 82 4.132 4.132 3.979 0.153 17991 7419 1 13 . 1 1 82 82 THR CA C 82 65.377 65.377 66.484 -1.107 17991 7420 1 13 . 1 1 82 82 THR CB C 82 69.035 69.035 68.541 0.494 17991 7421 1 13 . 1 1 82 82 THR H H 82 8.115 8.115 8.317 -0.202 17991 7422 1 13 . 1 1 83 83 GLU N N 83 121.416 121.416 118.556 2.860 17991 7423 1 13 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.363 0.010 17991 7424 1 13 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.033 0.031 17991 7425 1 13 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.711 -0.769 17991 7426 1 13 . 1 1 83 83 GLU H H 83 8.336 8.336 8.008 0.328 17991 7427 1 13 . 1 1 84 84 SER N N 84 115.783 115.783 114.521 1.262 17991 7428 1 13 . 1 1 84 84 SER HA H 84 4.278 4.278 4.591 -0.313 17991 7429 1 13 . 1 1 84 84 SER CA C 84 61.685 61.685 60.717 0.968 17991 7430 1 13 . 1 1 84 84 SER H H 84 8.191 8.191 8.090 0.101 17991 7431 1 13 . 1 1 85 85 LYS N N 85 121.318 121.318 122.222 -0.904 17991 7432 1 13 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.159 -0.074 17991 7433 1 13 . 1 1 85 85 LYS CA C 85 59.788 59.788 59.012 0.776 17991 7434 1 13 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.694 -0.264 17991 7435 1 13 . 1 1 85 85 LYS H H 85 8.113 8.113 7.901 0.212 17991 7436 1 13 . 1 1 86 86 SER N N 86 115.042 115.042 115.332 -0.290 17991 7437 1 13 . 1 1 86 86 SER HA H 86 4.389 4.389 4.257 0.132 17991 7438 1 13 . 1 1 86 86 SER CA C 86 61.437 61.437 60.780 0.657 17991 7439 1 13 . 1 1 86 86 SER CB C 86 63.116 63.116 62.875 0.241 17991 7440 1 13 . 1 1 86 86 SER H H 86 8.066 8.066 7.713 0.353 17991 7441 1 13 . 1 1 87 87 VAL N N 87 122.920 122.920 121.393 1.527 17991 7442 1 13 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.816 0.565 17991 7443 1 13 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.863 0.260 17991 7444 1 13 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.539 -0.160 17991 7445 1 13 . 1 1 87 87 VAL H H 87 8.103 8.103 7.740 0.363 17991 7446 1 13 . 1 1 88 88 LEU N N 88 119.501 119.501 119.626 -0.125 17991 7447 1 13 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.965 0.157 17991 7448 1 13 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.276 0.630 17991 7449 1 13 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.341 0.603 17991 7450 1 13 . 1 1 88 88 LEU H H 88 8.146 8.146 7.675 0.471 17991 7451 1 13 . 1 1 89 89 LYS N N 89 120.285 120.285 119.475 0.810 17991 7452 1 13 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.028 0.067 17991 7453 1 13 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.700 0.187 17991 7454 1 13 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.470 -0.244 17991 7455 1 13 . 1 1 89 89 LYS H H 89 8.245 8.245 7.807 0.438 17991 7456 1 13 . 1 1 90 90 SER N N 90 115.131 115.131 113.221 1.910 17991 7457 1 13 . 1 1 90 90 SER HA H 90 4.362 4.362 4.317 0.045 17991 7458 1 13 . 1 1 90 90 SER CA C 90 61.815 61.815 60.124 1.691 17991 7459 1 13 . 1 1 90 90 SER H H 90 8.037 8.037 7.884 0.153 17991 7460 1 13 . 1 1 91 91 LEU N N 91 120.855 120.855 121.558 -0.703 17991 7461 1 13 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.209 -0.061 17991 7462 1 13 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.487 0.926 17991 7463 1 13 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.702 0.473 17991 7464 1 13 . 1 1 91 91 LEU H H 91 8.445 8.445 7.321 1.124 17991 7465 1 13 . 1 1 92 92 THR N N 92 112.933 112.933 115.430 -2.497 17991 7466 1 13 . 1 1 92 92 THR HA H 92 3.904 3.904 3.860 0.044 17991 7467 1 13 . 1 1 92 92 THR CA C 92 67.390 67.390 67.222 0.168 17991 7468 1 13 . 1 1 92 92 THR CB C 92 69.367 69.367 68.551 0.816 17991 7469 1 13 . 1 1 92 92 THR H H 92 8.383 8.383 7.665 0.718 17991 7470 1 13 . 1 1 93 93 GLU N N 93 120.387 120.387 120.577 -0.190 17991 7471 1 13 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.355 0.132 17991 7472 1 13 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.526 -0.381 17991 7473 1 13 . 1 1 93 93 GLU H H 93 7.971 7.971 8.235 -0.264 17991 7474 1 13 . 1 1 94 94 LYS N N 94 118.470 118.470 118.332 0.138 17991 7475 1 13 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.183 -0.017 17991 7476 1 13 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.689 0.357 17991 7477 1 13 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.597 -0.250 17991 7478 1 13 . 1 1 94 94 LYS H H 94 7.804 7.804 7.971 -0.167 17991 7479 1 13 . 1 1 95 95 LEU N N 95 118.397 118.397 122.062 -3.665 17991 7480 1 13 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.632 -0.473 17991 7481 1 13 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.183 0.694 17991 7482 1 13 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.117 -0.168 17991 7483 1 13 . 1 1 95 95 LEU H H 95 8.256 8.256 7.874 0.382 17991 7484 1 13 . 1 1 96 96 LYS N N 96 117.747 117.747 118.863 -1.116 17991 7485 1 13 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.966 -0.026 17991 7486 1 13 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.781 0.501 17991 7487 1 13 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.944 0.405 17991 7488 1 13 . 1 1 96 96 LYS H H 96 8.105 8.105 8.741 -0.636 17991 7489 1 13 . 1 1 97 97 LYS N N 97 116.451 116.451 119.806 -3.355 17991 7490 1 13 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.184 -0.017 17991 7491 1 13 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.589 0.954 17991 7492 1 13 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.144 0.007 17991 7493 1 13 . 1 1 97 97 LYS H H 97 7.520 7.520 7.553 -0.033 17991 7494 1 13 . 1 1 98 98 ILE N N 98 117.587 117.587 122.913 -5.326 17991 7495 1 13 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.793 0.137 17991 7496 1 13 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.866 0.433 17991 7497 1 13 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.953 -0.204 17991 7498 1 13 . 1 1 98 98 ILE H H 98 7.782 7.782 8.466 -0.684 17991 7499 1 13 . 1 1 99 99 VAL N N 99 116.989 116.989 120.521 -3.532 17991 7500 1 13 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.756 0.069 17991 7501 1 13 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.209 0.754 17991 7502 1 13 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.550 -0.068 17991 7503 1 13 . 1 1 99 99 VAL H H 99 7.917 7.917 7.564 0.353 17991 7504 1 13 . 1 1 100 100 GLU N N 100 116.782 116.782 118.769 -1.987 17991 7505 1 13 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.196 0.017 17991 7506 1 13 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.777 0.197 17991 7507 1 13 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.436 -1.513 17991 7508 1 13 . 1 1 100 100 GLU H H 100 7.702 7.702 8.215 -0.513 17991 7509 1 13 . 1 1 101 101 LEU N N 101 118.218 118.218 119.649 -1.431 17991 7510 1 13 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.392 -0.237 17991 7511 1 13 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.247 -0.511 17991 7512 1 13 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.419 -1.380 17991 7513 1 13 . 1 1 101 101 LEU H H 101 7.751 7.751 7.733 0.018 17991 7514 1 13 . 1 1 102 102 ILE N N 102 119.412 119.412 116.163 3.249 17991 7515 1 13 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.584 -0.857 17991 7516 1 13 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.940 2.869 17991 7517 1 13 . 1 1 102 102 ILE H H 102 7.559 7.559 8.322 -0.763 17991 7518 1 13 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.324 0.263 17991 7519 1 13 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.232 0.057 17991 7520 1 13 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.851 0.035 17991 7521 1 13 . 1 1 104 104 SER N N 104 112.794 112.794 114.244 -1.450 17991 7522 1 13 . 1 1 104 104 SER HA H 104 4.571 4.571 4.293 0.278 17991 7523 1 13 . 1 1 104 104 SER CA C 104 59.286 59.286 60.911 -1.625 17991 7524 1 13 . 1 1 104 104 SER CB C 104 63.849 63.849 62.748 1.101 17991 7525 1 13 . 1 1 104 104 SER H H 104 8.100 8.100 8.503 -0.403 17991 7526 1 13 . 1 1 105 105 THR N N 105 114.655 114.655 112.520 2.135 17991 7527 1 13 . 1 1 105 105 THR HA H 105 4.318 4.318 4.479 -0.161 17991 7528 1 13 . 1 1 105 105 THR CA C 105 64.056 64.056 63.075 0.980 17991 7529 1 13 . 1 1 105 105 THR CB C 105 69.861 69.861 69.512 0.349 17991 7530 1 13 . 1 1 105 105 THR H H 105 8.186 8.186 7.636 0.550 17991 7531 1 13 . 1 1 106 106 SER N N 106 116.165 116.165 118.021 -1.856 17991 7532 1 13 . 1 1 106 106 SER HA H 106 4.344 4.344 4.114 0.230 17991 7533 1 13 . 1 1 106 106 SER CA C 106 60.864 60.864 61.082 -0.218 17991 7534 1 13 . 1 1 106 106 SER CB C 106 63.462 63.462 62.660 0.802 17991 7535 1 13 . 1 1 106 106 SER H H 106 8.200 8.200 8.146 0.054 17991 7536 1 13 . 1 1 107 107 SER N N 107 116.732 116.732 117.786 -1.054 17991 7537 1 13 . 1 1 107 107 SER HA H 107 4.413 4.413 4.219 0.194 17991 7538 1 13 . 1 1 107 107 SER CA C 107 60.051 60.051 60.986 -0.935 17991 7539 1 13 . 1 1 107 107 SER CB C 107 63.921 63.921 62.947 0.974 17991 7540 1 13 . 1 1 107 107 SER H H 107 8.114 8.114 8.030 0.084 17991 7541 1 13 . 1 1 108 108 ALA N N 108 122.523 122.523 122.688 -0.165 17991 7542 1 13 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.315 0.119 17991 7543 1 13 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.675 -0.193 17991 7544 1 13 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.809 0.522 17991 7545 1 13 . 1 1 108 108 ALA H H 108 8.022 8.022 8.105 -0.083 17991 7546 1 13 . 1 1 109 109 VAL N N 109 117.146 117.146 121.104 -3.958 17991 7547 1 13 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.717 0.071 17991 7548 1 13 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.438 -1.603 17991 7549 1 13 . 1 1 109 109 VAL H H 109 7.829 7.829 8.369 -0.540 17991 7550 1 13 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.295 0.185 17991 7551 1 13 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.976 0.469 17991 7552 1 13 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.218 0.161 17991 7553 1 13 . 1 1 111 111 LEU N N 111 117.393 117.393 118.499 -1.106 17991 7554 1 13 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.200 0.013 17991 7555 1 13 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.825 0.957 17991 7556 1 13 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.548 -0.100 17991 7557 1 13 . 1 1 111 111 LEU H H 111 7.538 7.538 7.431 0.107 17991 7558 1 13 . 1 1 112 112 ILE N N 112 117.001 117.001 119.312 -2.311 17991 7559 1 13 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.579 0.422 17991 7560 1 13 . 1 1 112 112 ILE CA C 112 64.626 64.626 62.983 1.643 17991 7561 1 13 . 1 1 112 112 ILE H H 112 8.118 8.118 8.680 -0.562 17991 7562 1 13 . 1 1 113 113 GLY N N 113 106.840 106.840 108.571 -1.731 17991 7563 1 13 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.090 0.682 17991 7564 1 13 . 1 1 113 113 GLY H H 113 8.409 8.409 8.408 0.001 17991 7565 1 13 . 1 1 114 114 LYS N N 114 120.736 120.736 121.602 -0.866 17991 7566 1 13 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.962 0.158 17991 7567 1 13 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.901 0.237 17991 7568 1 13 . 1 1 114 114 LYS H H 114 7.847 7.847 7.231 0.616 17991 7569 1 13 . 1 1 115 115 TYR N N 115 117.055 117.055 117.595 -0.540 17991 7570 1 13 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.658 -0.386 17991 7571 1 13 . 1 1 115 115 TYR CA C 115 60.430 60.430 58.546 1.884 17991 7572 1 13 . 1 1 115 115 TYR H H 115 7.891 7.891 7.733 0.158 17991 7573 1 13 . 1 1 116 116 MET H H 116 8.170 8.170 7.526 0.644 17991 7574 1 13 . 1 1 117 117 LEU N N 117 117.768 117.768 118.443 -0.675 17991 7575 1 13 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.068 -0.159 17991 7576 1 13 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.620 0.974 17991 7577 1 13 . 1 1 117 117 LEU CB C 117 41.336 41.336 40.668 0.668 17991 7578 1 13 . 1 1 117 117 LEU H H 117 7.781 7.781 7.710 0.071 17991 7579 1 13 . 1 1 118 118 PHE N N 118 118.204 118.204 119.592 -1.388 17991 7580 1 13 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.164 0.264 17991 7581 1 13 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.966 -1.231 17991 7582 1 13 . 1 1 118 118 PHE H H 118 8.024 8.024 7.668 0.356 17991 7583 1 13 . 1 1 119 119 THR N N 119 114.941 114.941 114.689 0.252 17991 7584 1 13 . 1 1 119 119 THR HA H 119 3.972 3.972 4.010 -0.038 17991 7585 1 13 . 1 1 119 119 THR CA C 119 67.518 67.518 66.762 0.756 17991 7586 1 13 . 1 1 119 119 THR CB C 119 69.194 69.194 68.732 0.462 17991 7587 1 13 . 1 1 119 119 THR H H 119 8.171 8.171 7.961 0.210 17991 7588 1 13 . 1 1 120 120 LYS N N 120 121.758 121.758 120.942 0.816 17991 7589 1 13 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.003 -0.023 17991 7590 1 13 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.481 1.329 17991 7591 1 13 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.334 0.181 17991 7592 1 13 . 1 1 120 120 LYS H H 120 8.359 8.359 7.745 0.614 17991 7593 1 13 . 1 1 121 121 GLU N N 121 117.504 117.504 117.072 0.432 17991 7594 1 13 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.258 -0.044 17991 7595 1 13 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.120 1.120 17991 7596 1 13 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.109 -1.726 17991 7597 1 13 . 1 1 121 121 GLU H H 121 8.222 8.222 7.745 0.477 17991 7598 1 13 . 1 1 122 122 PHE N N 122 121.586 121.586 119.941 1.645 17991 7599 1 13 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.492 -0.198 17991 7600 1 13 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.773 0.801 17991 7601 1 13 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.383 -1.024 17991 7602 1 13 . 1 1 122 122 PHE H H 122 8.562 8.562 7.955 0.607 17991 7603 1 13 . 1 1 123 123 VAL N N 123 121.558 121.558 120.510 1.048 17991 7604 1 13 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.761 -0.245 17991 7605 1 13 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.502 1.106 17991 7606 1 13 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.515 -0.054 17991 7607 1 13 . 1 1 123 123 VAL H H 123 8.784 8.784 8.156 0.628 17991 7608 1 13 . 1 1 124 124 GLU N N 124 118.314 118.314 118.526 -0.212 17991 7609 1 13 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.085 -0.043 17991 7610 1 13 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.219 0.988 17991 7611 1 13 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.066 -0.641 17991 7612 1 13 . 1 1 124 124 GLU H H 124 8.564 8.564 8.078 0.486 17991 7613 1 13 . 1 1 125 125 SER N N 125 114.779 114.779 115.252 -0.473 17991 7614 1 13 . 1 1 125 125 SER HA H 125 4.265 4.265 4.079 0.186 17991 7615 1 13 . 1 1 125 125 SER CA C 125 62.342 62.342 61.846 0.496 17991 7616 1 13 . 1 1 125 125 SER CB C 125 63.162 63.162 62.802 0.360 17991 7617 1 13 . 1 1 125 125 SER H H 125 8.348 8.348 8.428 -0.080 17991 7618 1 13 . 1 1 126 126 SER N N 126 118.464 118.464 117.917 0.547 17991 7619 1 13 . 1 1 126 126 SER HA H 126 4.069 4.069 4.508 -0.439 17991 7620 1 13 . 1 1 126 126 SER CA C 126 62.846 62.846 61.870 0.976 17991 7621 1 13 . 1 1 126 126 SER H H 126 8.144 8.144 7.805 0.339 17991 7622 1 13 . 1 1 127 127 ILE N N 127 124.705 124.705 116.975 7.730 17991 7623 1 13 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.282 -0.601 17991 7624 1 13 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.213 2.428 17991 7625 1 13 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.804 0.230 17991 7626 1 13 . 1 1 127 127 ILE H H 127 8.280 8.280 7.542 0.738 17991 7627 1 13 . 1 1 128 128 LYS N N 128 119.907 119.907 122.037 -2.130 17991 7628 1 13 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.080 0.805 17991 7629 1 13 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.744 -0.496 17991 7630 1 13 . 1 1 128 128 LYS H H 128 7.741 7.741 7.501 0.240 17991 7631 1 13 . 1 1 129 129 ILE N N 129 118.807 118.807 118.066 0.741 17991 7632 1 13 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.824 0.283 17991 7633 1 13 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.873 -0.480 17991 7634 1 13 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.225 -0.175 17991 7635 1 13 . 1 1 129 129 ILE H H 129 8.215 8.215 8.532 -0.317 17991 7636 1 13 . 1 1 130 130 THR N N 130 117.328 117.328 112.840 4.488 17991 7637 1 13 . 1 1 130 130 THR HA H 130 3.921 3.921 3.920 0.001 17991 7638 1 13 . 1 1 130 130 THR CA C 130 68.210 68.210 64.837 3.373 17991 7639 1 13 . 1 1 130 130 THR H H 130 7.988 7.988 7.550 0.438 17991 7640 1 13 . 1 1 131 131 GLU N N 131 118.968 118.968 121.594 -2.626 17991 7641 1 13 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.057 -0.079 17991 7642 1 13 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.647 0.953 17991 7643 1 13 . 1 1 131 131 GLU H H 131 8.439 8.439 7.742 0.698 17991 7644 1 13 . 1 1 132 132 GLU N N 132 118.712 118.712 118.655 0.057 17991 7645 1 13 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.238 -0.012 17991 7646 1 13 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.271 0.996 17991 7647 1 13 . 1 1 132 132 GLU CB C 132 28.619 28.619 29.975 -1.356 17991 7648 1 13 . 1 1 132 132 GLU H H 132 7.987 7.987 7.626 0.361 17991 7649 1 13 . 1 1 133 133 VAL N N 133 120.060 120.060 120.505 -0.445 17991 7650 1 13 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.839 0.028 17991 7651 1 13 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.267 1.063 17991 7652 1 13 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.144 0.012 17991 7653 1 13 . 1 1 133 133 VAL H H 133 8.341 8.341 7.752 0.589 17991 7654 1 13 . 1 1 134 134 ILE N N 134 119.699 119.699 116.718 2.981 17991 7655 1 13 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.852 0.008 17991 7656 1 13 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.813 1.371 17991 7657 1 13 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.253 0.649 17991 7658 1 13 . 1 1 134 134 ILE H H 134 8.331 8.331 7.430 0.901 17991 7659 1 13 . 1 1 135 135 ASN N N 135 117.396 117.396 118.219 -0.823 17991 7660 1 13 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.445 0.230 17991 7661 1 13 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.153 -0.648 17991 7662 1 13 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.189 0.938 17991 7663 1 13 . 1 1 135 135 ASN H H 135 8.318 8.318 7.939 0.380 17991 7664 1 13 . 1 1 136 136 THR N N 136 111.419 111.419 114.393 -2.974 17991 7665 1 13 . 1 1 136 136 THR HA H 136 4.308 4.308 4.310 -0.002 17991 7666 1 13 . 1 1 136 136 THR CA C 136 63.872 63.872 65.645 -1.773 17991 7667 1 13 . 1 1 136 136 THR CB C 136 69.779 69.779 68.682 1.097 17991 7668 1 13 . 1 1 136 136 THR H H 136 8.006 8.006 7.880 0.126 17991 7669 1 13 . 1 1 137 137 HIS N N 137 118.612 118.612 122.116 -3.504 17991 7670 1 13 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.314 0.389 17991 7671 1 13 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.156 -2.696 17991 7672 1 13 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.764 -1.052 17991 7673 1 13 . 1 1 137 137 HIS H H 137 8.013 8.013 7.617 0.396 17991 7674 1 13 . 1 1 138 138 HIS N N 138 118.709 118.709 117.509 1.200 17991 7675 1 13 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.025 0.801 17991 7676 1 13 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.188 -2.674 17991 7677 1 13 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.492 -1.246 17991 7678 1 13 . 1 1 138 138 HIS H H 138 8.169 8.169 8.358 -0.190 17991 7679 1 13 . 1 1 139 139 ARG N N 139 123.025 123.025 119.540 3.485 17991 7680 1 13 . 1 1 139 139 ARG HA H 139 4.566 4.566 3.965 0.601 17991 7681 1 13 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.172 -1.778 17991 7682 1 13 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.843 0.178 17991 7683 1 13 . 1 1 139 139 ARG H H 139 8.419 8.419 7.742 0.677 17991 7684 1 14 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.185 0.553 17991 7685 1 14 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.116 -0.340 17991 7686 1 14 . 1 1 8 8 HIS CB C 8 29.344 29.344 28.400 0.944 17991 7687 1 14 . 1 1 8 8 HIS H H 8 8.686 8.686 8.595 0.091 17991 7688 1 14 . 1 1 9 9 ALA N N 9 124.079 124.079 124.570 -0.491 17991 7689 1 14 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.309 0.078 17991 7690 1 14 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.910 0.377 17991 7691 1 14 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.170 -0.995 17991 7692 1 14 . 1 1 9 9 ALA H H 9 8.457 8.457 8.463 -0.006 17991 7693 1 14 . 1 1 10 10 MET N N 10 120.430 120.430 119.646 0.784 17991 7694 1 14 . 1 1 10 10 MET HA H 10 4.390 4.390 4.404 -0.014 17991 7695 1 14 . 1 1 10 10 MET CA C 10 57.753 57.753 58.165 -0.412 17991 7696 1 14 . 1 1 10 10 MET CB C 10 32.355 32.355 32.717 -0.362 17991 7697 1 14 . 1 1 10 10 MET H H 10 8.545 8.545 8.516 0.029 17991 7698 1 14 . 1 1 11 11 VAL N N 11 119.159 119.159 117.204 1.955 17991 7699 1 14 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.084 -0.068 17991 7700 1 14 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.610 0.661 17991 7701 1 14 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.283 0.328 17991 7702 1 14 . 1 1 11 11 VAL H H 11 8.339 8.339 7.952 0.387 17991 7703 1 14 . 1 1 12 12 ILE N N 12 119.461 119.461 119.413 0.048 17991 7704 1 14 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.038 -0.085 17991 7705 1 14 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.635 0.700 17991 7706 1 14 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.252 -0.756 17991 7707 1 14 . 1 1 12 12 ILE H H 12 7.705 7.705 7.903 -0.198 17991 7708 1 14 . 1 1 13 13 ASP N N 13 119.460 119.460 118.993 0.467 17991 7709 1 14 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.640 -0.256 17991 7710 1 14 . 1 1 13 13 ASP CA C 13 57.524 57.524 55.696 1.828 17991 7711 1 14 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.151 -1.739 17991 7712 1 14 . 1 1 13 13 ASP H H 13 8.172 8.172 7.767 0.405 17991 7713 1 14 . 1 1 14 14 HIS N N 14 116.421 116.421 118.528 -2.107 17991 7714 1 14 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.495 0.045 17991 7715 1 14 . 1 1 14 14 HIS CA C 14 58.748 58.748 59.150 -0.402 17991 7716 1 14 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.483 -1.831 17991 7717 1 14 . 1 1 14 14 HIS H H 14 8.138 8.138 7.738 0.400 17991 7718 1 14 . 1 1 15 15 ILE N N 15 119.970 119.970 119.345 0.625 17991 7719 1 14 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.875 -0.067 17991 7720 1 14 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.023 1.381 17991 7721 1 14 . 1 1 15 15 ILE CB C 15 37.787 37.787 36.823 0.964 17991 7722 1 14 . 1 1 15 15 ILE H H 15 8.224 8.224 7.665 0.559 17991 7723 1 14 . 1 1 16 16 LEU N N 16 118.635 118.635 122.108 -3.473 17991 7724 1 14 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.026 0.966 17991 7725 1 14 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.200 0.586 17991 7726 1 14 . 1 1 16 16 LEU H H 16 8.480 8.480 7.928 0.552 17991 7727 1 14 . 1 1 17 17 LYS N N 17 118.257 118.257 117.884 0.373 17991 7728 1 14 . 1 1 17 17 LYS HA H 17 4.094 4.094 3.988 0.106 17991 7729 1 14 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.171 0.711 17991 7730 1 14 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.926 0.290 17991 7731 1 14 . 1 1 17 17 LYS H H 17 8.098 8.098 7.947 0.151 17991 7732 1 14 . 1 1 18 18 CYS N N 18 117.220 117.220 117.776 -0.556 17991 7733 1 14 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.284 0.045 17991 7734 1 14 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.710 0.508 17991 7735 1 14 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.666 -0.844 17991 7736 1 14 . 1 1 18 18 CYS H H 18 7.899 7.899 8.017 -0.118 17991 7737 1 14 . 1 1 19 19 VAL N N 19 118.929 118.929 120.188 -1.259 17991 7738 1 14 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.990 -0.265 17991 7739 1 14 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.385 1.695 17991 7740 1 14 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.215 -0.158 17991 7741 1 14 . 1 1 19 19 VAL H H 19 8.352 8.352 7.403 0.949 17991 7742 1 14 . 1 1 20 20 PHE N N 20 120.244 120.244 119.620 0.624 17991 7743 1 14 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.296 -0.022 17991 7744 1 14 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.412 2.214 17991 7745 1 14 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.138 -0.058 17991 7746 1 14 . 1 1 20 20 PHE H H 20 8.791 8.791 8.908 -0.117 17991 7747 1 14 . 1 1 21 21 ASP N N 21 118.761 118.761 120.530 -1.769 17991 7748 1 14 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.393 -0.030 17991 7749 1 14 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.475 0.042 17991 7750 1 14 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.923 -0.855 17991 7751 1 14 . 1 1 21 21 ASP H H 21 8.705 8.705 7.951 0.754 17991 7752 1 14 . 1 1 22 22 LYS N N 22 118.200 118.200 119.488 -1.288 17991 7753 1 14 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.105 0.089 17991 7754 1 14 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.939 -0.346 17991 7755 1 14 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.479 -0.180 17991 7756 1 14 . 1 1 22 22 LYS H H 22 7.810 7.810 7.544 0.266 17991 7757 1 14 . 1 1 23 23 ILE N N 23 118.534 118.534 120.446 -1.912 17991 7758 1 14 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.598 0.183 17991 7759 1 14 . 1 1 23 23 ILE CA C 23 65.096 65.096 65.140 -0.044 17991 7760 1 14 . 1 1 23 23 ILE H H 23 8.351 8.351 7.621 0.730 17991 7761 1 14 . 1 1 24 24 CYS N N 24 117.155 117.155 115.688 1.467 17991 7762 1 14 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.153 -0.104 17991 7763 1 14 . 1 1 24 24 CYS CA C 24 63.499 63.499 62.844 0.655 17991 7764 1 14 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.833 -1.207 17991 7765 1 14 . 1 1 24 24 CYS H H 24 8.203 8.203 7.804 0.399 17991 7766 1 14 . 1 1 25 25 LYS N N 25 119.995 119.995 120.815 -0.820 17991 7767 1 14 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.241 -0.479 17991 7768 1 14 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.194 0.191 17991 7769 1 14 . 1 1 25 25 LYS H H 25 7.760 7.760 7.179 0.581 17991 7770 1 14 . 1 1 26 26 ILE N N 26 119.168 119.168 117.165 2.003 17991 7771 1 14 . 1 1 26 26 ILE HA H 26 3.974 3.974 4.300 -0.326 17991 7772 1 14 . 1 1 26 26 ILE CA C 26 64.106 64.106 61.967 2.139 17991 7773 1 14 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.928 -0.372 17991 7774 1 14 . 1 1 26 26 ILE H H 26 8.055 8.055 7.980 0.075 17991 7775 1 14 . 1 1 27 27 GLY N N 27 108.257 108.257 106.871 1.386 17991 7776 1 14 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.432 -0.443 17991 7777 1 14 . 1 1 27 27 GLY H H 27 8.568 8.568 8.107 0.461 17991 7778 1 14 . 1 1 28 28 THR N N 28 112.727 112.727 113.743 -1.016 17991 7779 1 14 . 1 1 28 28 THR HA H 28 3.912 3.912 4.279 -0.367 17991 7780 1 14 . 1 1 28 28 THR CA C 28 64.717 64.717 64.460 0.257 17991 7781 1 14 . 1 1 28 28 THR CB C 28 69.375 69.375 68.686 0.689 17991 7782 1 14 . 1 1 28 28 THR H H 28 8.059 8.059 7.465 0.594 17991 7783 1 14 . 1 1 29 29 GLU N N 29 120.068 120.068 123.059 -2.991 17991 7784 1 14 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.720 -1.116 17991 7785 1 14 . 1 1 29 29 GLU CB C 29 29.093 29.093 28.963 0.130 17991 7786 1 14 . 1 1 29 29 GLU H H 29 8.113 8.113 7.706 0.407 17991 7787 1 14 . 1 1 30 30 SER N N 30 114.882 114.882 114.873 0.009 17991 7788 1 14 . 1 1 30 30 SER HA H 30 4.374 4.374 4.221 0.153 17991 7789 1 14 . 1 1 30 30 SER CA C 30 60.353 60.353 61.343 -0.990 17991 7790 1 14 . 1 1 30 30 SER H H 30 8.060 8.060 7.700 0.360 17991 7791 1 14 . 1 1 31 31 VAL N N 31 122.098 122.098 121.781 0.317 17991 7792 1 14 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.884 0.133 17991 7793 1 14 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.713 -1.086 17991 7794 1 14 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.535 0.450 17991 7795 1 14 . 1 1 31 31 VAL H H 31 8.127 8.127 7.416 0.711 17991 7796 1 14 . 1 1 32 32 GLU N N 32 120.280 120.280 120.024 0.256 17991 7797 1 14 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.164 0.154 17991 7798 1 14 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.344 -1.457 17991 7799 1 14 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.481 -0.828 17991 7800 1 14 . 1 1 32 32 GLU H H 32 8.243 8.243 7.375 0.868 17991 7801 1 14 . 1 1 33 33 ALA N N 33 121.715 121.715 121.619 0.096 17991 7802 1 14 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.014 0.175 17991 7803 1 14 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.575 0.149 17991 7804 1 14 . 1 1 33 33 ALA CB C 33 18.728 18.728 18.279 0.449 17991 7805 1 14 . 1 1 33 33 ALA H H 33 8.218 8.218 7.537 0.681 17991 7806 1 14 . 1 1 34 34 GLY N N 34 104.656 104.656 105.688 -1.032 17991 7807 1 14 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.748 0.326 17991 7808 1 14 . 1 1 34 34 GLY H H 34 8.308 8.308 7.907 0.402 17991 7809 1 14 . 1 1 35 35 ARG N N 35 119.958 119.958 120.897 -0.939 17991 7810 1 14 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.437 -0.161 17991 7811 1 14 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.499 1.526 17991 7812 1 14 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.489 0.800 17991 7813 1 14 . 1 1 35 35 ARG H H 35 7.975 7.975 7.658 0.317 17991 7814 1 14 . 1 1 36 36 LEU N N 36 118.931 118.931 121.454 -2.523 17991 7815 1 14 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.218 0.006 17991 7816 1 14 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.489 0.314 17991 7817 1 14 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.440 0.753 17991 7818 1 14 . 1 1 36 36 LEU H H 36 7.958 7.958 8.358 -0.400 17991 7819 1 14 . 1 1 37 37 ILE N N 37 118.087 118.087 119.792 -1.705 17991 7820 1 14 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.764 0.167 17991 7821 1 14 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.806 0.053 17991 7822 1 14 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.640 0.399 17991 7823 1 14 . 1 1 37 37 ILE H H 37 7.904 7.904 8.164 -0.260 17991 7824 1 14 . 1 1 38 38 GLU N N 38 120.989 120.989 119.860 1.129 17991 7825 1 14 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.944 0.287 17991 7826 1 14 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.783 -1.338 17991 7827 1 14 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.295 -0.284 17991 7828 1 14 . 1 1 38 38 GLU H H 38 8.041 8.041 7.591 0.450 17991 7829 1 14 . 1 1 39 39 LEU N N 39 120.111 120.111 119.098 1.013 17991 7830 1 14 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.098 0.173 17991 7831 1 14 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.495 -0.083 17991 7832 1 14 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.395 0.900 17991 7833 1 14 . 1 1 39 39 LEU H H 39 8.173 8.173 7.726 0.447 17991 7834 1 14 . 1 1 40 40 SER N N 40 113.806 113.806 112.336 1.470 17991 7835 1 14 . 1 1 40 40 SER HA H 40 4.312 4.312 4.197 0.115 17991 7836 1 14 . 1 1 40 40 SER CA C 40 60.406 60.406 60.776 -0.370 17991 7837 1 14 . 1 1 40 40 SER CB C 40 63.646 63.646 63.188 0.458 17991 7838 1 14 . 1 1 40 40 SER H H 40 8.031 8.031 7.557 0.474 17991 7839 1 14 . 1 1 41 41 GLN N N 41 120.139 120.139 118.125 2.014 17991 7840 1 14 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.175 0.221 17991 7841 1 14 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.969 -1.368 17991 7842 1 14 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.718 -0.333 17991 7843 1 14 . 1 1 41 41 GLN H H 41 7.956 7.956 7.779 0.177 17991 7844 1 14 . 1 1 42 42 GLU N N 42 119.728 119.728 116.100 3.628 17991 7845 1 14 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.323 0.050 17991 7846 1 14 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.813 0.276 17991 7847 1 14 . 1 1 42 42 GLU CB C 42 29.355 29.355 30.904 -1.549 17991 7848 1 14 . 1 1 42 42 GLU H H 42 8.114 8.114 8.545 -0.431 17991 7849 1 14 . 1 1 43 43 GLY N N 43 108.655 108.655 109.210 -0.555 17991 7850 1 14 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.003 -0.380 17991 7851 1 14 . 1 1 43 43 GLY H H 43 8.325 8.325 8.118 0.207 17991 7852 1 14 . 1 1 44 44 GLY N N 44 107.872 107.872 106.222 1.650 17991 7853 1 14 . 1 1 44 44 GLY CA C 44 45.487 45.487 43.639 1.848 17991 7854 1 14 . 1 1 44 44 GLY H H 44 8.105 8.105 7.847 0.258 17991 7855 1 14 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.625 1.770 17991 7856 1 14 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.505 -0.036 17991 7857 1 14 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.546 0.884 17991 7858 1 14 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.945 0.376 17991 7859 1 14 . 1 1 50 50 LEU N N 50 116.864 116.864 118.060 -1.196 17991 7860 1 14 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.404 -0.202 17991 7861 1 14 . 1 1 50 50 LEU CA C 50 57.549 57.549 55.813 1.736 17991 7862 1 14 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.213 1.486 17991 7863 1 14 . 1 1 50 50 LEU H H 50 8.336 8.336 8.168 0.168 17991 7864 1 14 . 1 1 51 51 TYR N N 51 118.433 118.433 121.567 -3.134 17991 7865 1 14 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.115 0.050 17991 7866 1 14 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.720 -0.686 17991 7867 1 14 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.311 0.173 17991 7868 1 14 . 1 1 51 51 TYR H H 51 7.765 7.765 7.720 0.045 17991 7869 1 14 . 1 1 52 52 PHE N N 52 117.945 117.945 119.812 -1.867 17991 7870 1 14 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.778 0.482 17991 7871 1 14 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.656 -0.405 17991 7872 1 14 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.209 0.110 17991 7873 1 14 . 1 1 52 52 PHE H H 52 7.873 7.873 7.923 -0.050 17991 7874 1 14 . 1 1 53 53 VAL N N 53 117.468 117.468 118.910 -1.442 17991 7875 1 14 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.359 0.293 17991 7876 1 14 . 1 1 53 53 VAL CA C 53 66.298 66.298 66.408 -0.110 17991 7877 1 14 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.808 0.002 17991 7878 1 14 . 1 1 53 53 VAL H H 53 7.864 7.864 7.586 0.278 17991 7879 1 14 . 1 1 54 54 VAL N N 54 116.929 116.929 120.600 -3.671 17991 7880 1 14 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.576 0.126 17991 7881 1 14 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.612 -0.545 17991 7882 1 14 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.573 0.228 17991 7883 1 14 . 1 1 54 54 VAL H H 54 7.958 7.958 8.250 -0.292 17991 7884 1 14 . 1 1 55 55 ASN N N 55 115.543 115.543 115.629 -0.086 17991 7885 1 14 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.605 0.025 17991 7886 1 14 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.150 0.310 17991 7887 1 14 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.164 0.765 17991 7888 1 14 . 1 1 55 55 ASN H H 55 7.823 7.823 7.927 -0.104 17991 7889 1 14 . 1 1 56 56 VAL N N 56 116.125 116.125 117.981 -1.856 17991 7890 1 14 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.559 0.538 17991 7891 1 14 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.808 -0.669 17991 7892 1 14 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.194 -0.191 17991 7893 1 14 . 1 1 56 56 VAL H H 56 7.664 7.664 7.494 0.170 17991 7894 1 14 . 1 1 57 57 ILE N N 57 116.872 116.872 118.418 -1.546 17991 7895 1 14 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.788 0.221 17991 7896 1 14 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.377 1.173 17991 7897 1 14 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.562 1.201 17991 7898 1 14 . 1 1 57 57 ILE H H 57 7.587 7.587 8.152 -0.565 17991 7899 1 14 . 1 1 58 58 GLU N N 58 118.190 118.190 120.620 -2.430 17991 7900 1 14 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.073 0.126 17991 7901 1 14 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.764 -1.459 17991 7902 1 14 . 1 1 58 58 GLU H H 58 8.114 8.114 7.654 0.460 17991 7903 1 14 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.301 0.208 17991 7904 1 14 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.004 0.558 17991 7905 1 14 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.200 0.266 17991 7906 1 14 . 1 1 60 60 CYS N N 60 115.035 115.035 118.221 -3.186 17991 7907 1 14 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.067 0.201 17991 7908 1 14 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.502 -1.389 17991 7909 1 14 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.602 -0.612 17991 7910 1 14 . 1 1 60 60 CYS H H 60 7.913 7.913 7.525 0.388 17991 7911 1 14 . 1 1 61 61 LYS N N 61 121.184 121.184 120.109 1.075 17991 7912 1 14 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.948 0.324 17991 7913 1 14 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.840 -0.751 17991 7914 1 14 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.132 0.296 17991 7915 1 14 . 1 1 61 61 LYS H H 61 8.197 8.197 8.067 0.130 17991 7916 1 14 . 1 1 62 62 LYS N N 62 118.253 118.253 118.482 -0.229 17991 7917 1 14 . 1 1 62 62 LYS CA C 62 57.844 57.844 58.917 -1.073 17991 7918 1 14 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.397 -0.307 17991 7919 1 14 . 1 1 62 62 LYS H H 62 7.982 7.982 8.096 -0.114 17991 7920 1 14 . 1 1 63 63 PHE N N 63 118.763 118.763 117.493 1.270 17991 7921 1 14 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.402 -0.147 17991 7922 1 14 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.684 0.849 17991 7923 1 14 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.250 -0.100 17991 7924 1 14 . 1 1 63 63 PHE H H 63 8.155 8.155 7.468 0.687 17991 7925 1 14 . 1 1 64 64 SER N N 64 114.881 114.881 116.825 -1.944 17991 7926 1 14 . 1 1 64 64 SER HA H 64 4.268 4.268 3.781 0.487 17991 7927 1 14 . 1 1 64 64 SER CA C 64 61.588 61.588 61.625 -0.037 17991 7928 1 14 . 1 1 64 64 SER CB C 64 63.175 63.175 62.899 0.276 17991 7929 1 14 . 1 1 64 64 SER H H 64 8.218 8.218 7.929 0.289 17991 7930 1 14 . 1 1 65 65 GLU N N 65 120.937 120.937 118.801 2.136 17991 7931 1 14 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.170 0.114 17991 7932 1 14 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.553 -0.342 17991 7933 1 14 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.791 -0.829 17991 7934 1 14 . 1 1 65 65 GLU H H 65 8.067 8.067 7.725 0.342 17991 7935 1 14 . 1 1 66 66 LEU N N 66 118.904 118.904 120.499 -1.595 17991 7936 1 14 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.071 0.192 17991 7937 1 14 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.197 0.025 17991 7938 1 14 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.615 0.710 17991 7939 1 14 . 1 1 66 66 LEU H H 66 8.003 8.003 7.219 0.784 17991 7940 1 14 . 1 1 67 67 THR N N 67 108.190 108.190 112.015 -3.825 17991 7941 1 14 . 1 1 67 67 THR HA H 67 4.043 4.043 4.011 0.032 17991 7942 1 14 . 1 1 67 67 THR CA C 67 64.579 64.579 65.680 -1.100 17991 7943 1 14 . 1 1 67 67 THR CB C 67 69.410 69.410 68.036 1.374 17991 7944 1 14 . 1 1 67 67 THR H H 67 7.783 7.783 7.445 0.338 17991 7945 1 14 . 1 1 68 68 GLY N N 68 108.141 108.141 107.678 0.463 17991 7946 1 14 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.409 0.835 17991 7947 1 14 . 1 1 68 68 GLY H H 68 7.964 7.964 7.547 0.417 17991 7948 1 14 . 1 1 69 69 LEU N N 69 120.124 120.124 121.277 -1.153 17991 7949 1 14 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.626 -0.274 17991 7950 1 14 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.862 0.624 17991 7951 1 14 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.597 -0.223 17991 7952 1 14 . 1 1 69 69 LEU H H 69 7.749 7.749 7.527 0.222 17991 7953 1 14 . 1 1 70 70 VAL N N 70 115.546 115.546 117.822 -2.276 17991 7954 1 14 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.853 0.082 17991 7955 1 14 . 1 1 70 70 VAL CA C 70 63.630 63.630 65.022 -1.392 17991 7956 1 14 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.045 0.219 17991 7957 1 14 . 1 1 70 70 VAL H H 70 7.607 7.607 7.545 0.062 17991 7958 1 14 . 1 1 71 71 PHE N N 71 119.035 119.035 116.645 2.390 17991 7959 1 14 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.476 0.082 17991 7960 1 14 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.203 -0.656 17991 7961 1 14 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.421 -0.121 17991 7962 1 14 . 1 1 71 71 PHE H H 71 7.618 7.618 7.957 -0.339 17991 7963 1 14 . 1 1 72 72 TYR N N 72 118.365 118.365 118.663 -0.298 17991 7964 1 14 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.637 -0.058 17991 7965 1 14 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.146 -1.049 17991 7966 1 14 . 1 1 72 72 TYR CB C 72 39.244 39.244 41.055 -1.811 17991 7967 1 14 . 1 1 72 72 TYR H H 72 7.740 7.740 7.599 0.141 17991 7968 1 14 . 1 1 73 73 LEU N N 73 121.184 121.184 122.867 -1.683 17991 7969 1 14 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.684 -0.109 17991 7970 1 14 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.281 2.268 17991 7971 1 14 . 1 1 73 73 LEU CB C 73 42.081 42.081 42.335 -0.254 17991 7972 1 14 . 1 1 73 73 LEU H H 73 7.713 7.713 8.046 -0.333 17991 7973 1 14 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.584 0.054 17991 7974 1 14 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.779 0.425 17991 7975 1 14 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.468 -0.787 17991 7976 1 14 . 1 1 75 75 THR N N 75 113.231 113.231 115.984 -2.753 17991 7977 1 14 . 1 1 75 75 THR HA H 75 4.339 4.339 4.482 -0.143 17991 7978 1 14 . 1 1 75 75 THR CA C 75 62.684 62.684 62.983 -0.299 17991 7979 1 14 . 1 1 75 75 THR H H 75 8.217 8.217 8.181 0.036 17991 7980 1 14 . 1 1 76 76 ASP N N 76 120.892 120.892 116.822 4.070 17991 7981 1 14 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.616 0.174 17991 7982 1 14 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.724 0.515 17991 7983 1 14 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.209 -1.894 17991 7984 1 14 . 1 1 76 76 ASP H H 76 8.406 8.406 7.398 1.008 17991 7985 1 14 . 1 1 77 77 SER N N 77 115.861 115.861 113.640 2.221 17991 7986 1 14 . 1 1 77 77 SER HA H 77 4.345 4.345 4.205 0.140 17991 7987 1 14 . 1 1 77 77 SER CA C 77 60.528 60.528 59.843 0.685 17991 7988 1 14 . 1 1 77 77 SER CB C 77 63.812 63.812 63.871 -0.059 17991 7989 1 14 . 1 1 77 77 SER H H 77 8.238 8.238 8.375 -0.137 17991 7990 1 14 . 1 1 78 78 GLY N N 78 110.440 110.440 107.276 3.164 17991 7991 1 14 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.024 1.629 17991 7992 1 14 . 1 1 78 78 GLY H H 78 8.570 8.570 7.739 0.831 17991 7993 1 14 . 1 1 79 79 GLU N N 79 121.242 121.242 121.602 -0.360 17991 7994 1 14 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.055 0.265 17991 7995 1 14 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.343 -1.325 17991 7996 1 14 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.793 -0.711 17991 7997 1 14 . 1 1 79 79 GLU H H 79 8.237 8.237 8.536 -0.299 17991 7998 1 14 . 1 1 80 80 LYS N N 80 119.708 119.708 118.010 1.698 17991 7999 1 14 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.258 0.061 17991 8000 1 14 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.039 -0.158 17991 8001 1 14 . 1 1 80 80 LYS CB C 80 32.746 32.746 31.894 0.852 17991 8002 1 14 . 1 1 80 80 LYS H H 80 8.252 8.252 8.524 -0.272 17991 8003 1 14 . 1 1 81 81 MET N N 81 119.849 119.849 118.538 1.311 17991 8004 1 14 . 1 1 81 81 MET HA H 81 4.367 4.367 4.394 -0.027 17991 8005 1 14 . 1 1 81 81 MET CA C 81 57.845 57.845 59.102 -1.256 17991 8006 1 14 . 1 1 81 81 MET CB C 81 32.658 32.658 32.372 0.286 17991 8007 1 14 . 1 1 81 81 MET H H 81 8.419 8.419 7.732 0.687 17991 8008 1 14 . 1 1 82 82 THR N N 82 114.947 114.947 114.064 0.883 17991 8009 1 14 . 1 1 82 82 THR HA H 82 4.132 4.132 3.951 0.181 17991 8010 1 14 . 1 1 82 82 THR CA C 82 65.377 65.377 66.694 -1.317 17991 8011 1 14 . 1 1 82 82 THR CB C 82 69.035 69.035 68.330 0.705 17991 8012 1 14 . 1 1 82 82 THR H H 82 8.115 8.115 8.152 -0.037 17991 8013 1 14 . 1 1 83 83 GLU N N 83 121.416 121.416 118.869 2.547 17991 8014 1 14 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.296 0.077 17991 8015 1 14 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.680 -0.616 17991 8016 1 14 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.662 -0.720 17991 8017 1 14 . 1 1 83 83 GLU H H 83 8.336 8.336 7.842 0.494 17991 8018 1 14 . 1 1 84 84 SER N N 84 115.783 115.783 114.569 1.214 17991 8019 1 14 . 1 1 84 84 SER HA H 84 4.278 4.278 4.459 -0.181 17991 8020 1 14 . 1 1 84 84 SER CA C 84 61.685 61.685 61.168 0.517 17991 8021 1 14 . 1 1 84 84 SER H H 84 8.191 8.191 7.546 0.645 17991 8022 1 14 . 1 1 85 85 LYS N N 85 121.318 121.318 121.312 0.006 17991 8023 1 14 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.155 -0.070 17991 8024 1 14 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.941 0.847 17991 8025 1 14 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.728 -0.298 17991 8026 1 14 . 1 1 85 85 LYS H H 85 8.113 8.113 8.352 -0.239 17991 8027 1 14 . 1 1 86 86 SER N N 86 115.042 115.042 115.520 -0.478 17991 8028 1 14 . 1 1 86 86 SER HA H 86 4.389 4.389 4.196 0.193 17991 8029 1 14 . 1 1 86 86 SER CA C 86 61.437 61.437 61.356 0.081 17991 8030 1 14 . 1 1 86 86 SER CB C 86 63.116 63.116 62.827 0.289 17991 8031 1 14 . 1 1 86 86 SER H H 86 8.066 8.066 7.595 0.471 17991 8032 1 14 . 1 1 87 87 VAL N N 87 122.920 122.920 120.714 2.206 17991 8033 1 14 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.764 0.616 17991 8034 1 14 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.688 0.436 17991 8035 1 14 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.582 -0.203 17991 8036 1 14 . 1 1 87 87 VAL H H 87 8.103 8.103 7.579 0.524 17991 8037 1 14 . 1 1 88 88 LEU N N 88 119.501 119.501 118.783 0.718 17991 8038 1 14 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.099 0.023 17991 8039 1 14 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.147 0.759 17991 8040 1 14 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.662 0.282 17991 8041 1 14 . 1 1 88 88 LEU H H 88 8.146 8.146 7.593 0.553 17991 8042 1 14 . 1 1 89 89 LYS N N 89 120.285 120.285 119.640 0.645 17991 8043 1 14 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.083 0.012 17991 8044 1 14 . 1 1 89 89 LYS CA C 89 59.887 59.887 58.367 1.520 17991 8045 1 14 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.152 0.074 17991 8046 1 14 . 1 1 89 89 LYS H H 89 8.245 8.245 7.663 0.582 17991 8047 1 14 . 1 1 90 90 SER N N 90 115.131 115.131 114.741 0.390 17991 8048 1 14 . 1 1 90 90 SER HA H 90 4.362 4.362 4.324 0.038 17991 8049 1 14 . 1 1 90 90 SER CA C 90 61.815 61.815 60.583 1.232 17991 8050 1 14 . 1 1 90 90 SER H H 90 8.037 8.037 8.057 -0.020 17991 8051 1 14 . 1 1 91 91 LEU N N 91 120.855 120.855 122.093 -1.238 17991 8052 1 14 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.197 -0.049 17991 8053 1 14 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.522 0.891 17991 8054 1 14 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.628 0.547 17991 8055 1 14 . 1 1 91 91 LEU H H 91 8.445 8.445 7.231 1.214 17991 8056 1 14 . 1 1 92 92 THR N N 92 112.933 112.933 115.232 -2.299 17991 8057 1 14 . 1 1 92 92 THR HA H 92 3.904 3.904 3.899 0.005 17991 8058 1 14 . 1 1 92 92 THR CA C 92 67.390 67.390 66.483 0.907 17991 8059 1 14 . 1 1 92 92 THR CB C 92 69.367 69.367 68.069 1.298 17991 8060 1 14 . 1 1 92 92 THR H H 92 8.383 8.383 7.607 0.776 17991 8061 1 14 . 1 1 93 93 GLU N N 93 120.387 120.387 120.279 0.108 17991 8062 1 14 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.724 -0.237 17991 8063 1 14 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.392 -0.247 17991 8064 1 14 . 1 1 93 93 GLU H H 93 7.971 7.971 8.158 -0.187 17991 8065 1 14 . 1 1 94 94 LYS N N 94 118.470 118.470 117.271 1.199 17991 8066 1 14 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.170 -0.004 17991 8067 1 14 . 1 1 94 94 LYS CA C 94 59.046 59.046 57.943 1.103 17991 8068 1 14 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.594 -0.247 17991 8069 1 14 . 1 1 94 94 LYS H H 94 7.804 7.804 7.892 -0.088 17991 8070 1 14 . 1 1 95 95 LEU N N 95 118.397 118.397 119.391 -0.994 17991 8071 1 14 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.310 -0.151 17991 8072 1 14 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.011 0.866 17991 8073 1 14 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.396 -0.447 17991 8074 1 14 . 1 1 95 95 LEU H H 95 8.256 8.256 7.634 0.622 17991 8075 1 14 . 1 1 96 96 LYS N N 96 117.747 117.747 119.218 -1.471 17991 8076 1 14 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.031 -0.091 17991 8077 1 14 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.708 0.574 17991 8078 1 14 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.162 0.187 17991 8079 1 14 . 1 1 96 96 LYS H H 96 8.105 8.105 8.710 -0.605 17991 8080 1 14 . 1 1 97 97 LYS N N 97 116.451 116.451 119.607 -3.156 17991 8081 1 14 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.194 -0.027 17991 8082 1 14 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.483 1.060 17991 8083 1 14 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.136 0.015 17991 8084 1 14 . 1 1 97 97 LYS H H 97 7.520 7.520 7.539 -0.019 17991 8085 1 14 . 1 1 98 98 ILE N N 98 117.587 117.587 122.416 -4.829 17991 8086 1 14 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.828 0.102 17991 8087 1 14 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.884 0.415 17991 8088 1 14 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.018 -0.269 17991 8089 1 14 . 1 1 98 98 ILE H H 98 7.782 7.782 7.683 0.099 17991 8090 1 14 . 1 1 99 99 VAL N N 99 116.989 116.989 120.396 -3.407 17991 8091 1 14 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.682 0.143 17991 8092 1 14 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.780 0.183 17991 8093 1 14 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.978 -0.496 17991 8094 1 14 . 1 1 99 99 VAL H H 99 7.917 7.917 7.574 0.343 17991 8095 1 14 . 1 1 100 100 GLU N N 100 116.782 116.782 118.659 -1.877 17991 8096 1 14 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.185 0.028 17991 8097 1 14 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.130 -0.156 17991 8098 1 14 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.524 -1.601 17991 8099 1 14 . 1 1 100 100 GLU H H 100 7.702 7.702 8.191 -0.489 17991 8100 1 14 . 1 1 101 101 LEU N N 101 118.218 118.218 119.580 -1.362 17991 8101 1 14 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.349 -0.194 17991 8102 1 14 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.595 -0.859 17991 8103 1 14 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.194 -1.155 17991 8104 1 14 . 1 1 101 101 LEU H H 101 7.751 7.751 7.714 0.037 17991 8105 1 14 . 1 1 102 102 ILE N N 102 119.412 119.412 117.336 2.076 17991 8106 1 14 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.485 -0.758 17991 8107 1 14 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.974 2.835 17991 8108 1 14 . 1 1 102 102 ILE H H 102 7.559 7.559 8.273 -0.714 17991 8109 1 14 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.391 0.196 17991 8110 1 14 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.450 -0.161 17991 8111 1 14 . 1 1 103 103 PRO CB C 103 31.886 31.886 32.097 -0.211 17991 8112 1 14 . 1 1 104 104 SER N N 104 112.794 112.794 113.184 -0.390 17991 8113 1 14 . 1 1 104 104 SER HA H 104 4.571 4.571 4.284 0.287 17991 8114 1 14 . 1 1 104 104 SER CA C 104 59.286 59.286 60.880 -1.594 17991 8115 1 14 . 1 1 104 104 SER CB C 104 63.849 63.849 63.099 0.750 17991 8116 1 14 . 1 1 104 104 SER H H 104 8.100 8.100 8.436 -0.336 17991 8117 1 14 . 1 1 105 105 THR N N 105 114.655 114.655 112.340 2.315 17991 8118 1 14 . 1 1 105 105 THR HA H 105 4.318 4.318 4.401 -0.083 17991 8119 1 14 . 1 1 105 105 THR CA C 105 64.056 64.056 63.615 0.441 17991 8120 1 14 . 1 1 105 105 THR CB C 105 69.861 69.861 69.131 0.730 17991 8121 1 14 . 1 1 105 105 THR H H 105 8.186 8.186 7.597 0.589 17991 8122 1 14 . 1 1 106 106 SER N N 106 116.165 116.165 118.040 -1.875 17991 8123 1 14 . 1 1 106 106 SER HA H 106 4.344 4.344 4.113 0.231 17991 8124 1 14 . 1 1 106 106 SER CA C 106 60.864 60.864 60.668 0.196 17991 8125 1 14 . 1 1 106 106 SER CB C 106 63.462 63.462 62.621 0.841 17991 8126 1 14 . 1 1 106 106 SER H H 106 8.200 8.200 8.145 0.055 17991 8127 1 14 . 1 1 107 107 SER N N 107 116.732 116.732 118.231 -1.499 17991 8128 1 14 . 1 1 107 107 SER HA H 107 4.413 4.413 4.221 0.192 17991 8129 1 14 . 1 1 107 107 SER CA C 107 60.051 60.051 60.565 -0.514 17991 8130 1 14 . 1 1 107 107 SER CB C 107 63.921 63.921 63.042 0.879 17991 8131 1 14 . 1 1 107 107 SER H H 107 8.114 8.114 8.030 0.084 17991 8132 1 14 . 1 1 108 108 ALA N N 108 122.523 122.523 122.807 -0.284 17991 8133 1 14 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.393 0.041 17991 8134 1 14 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.637 -0.155 17991 8135 1 14 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.781 0.550 17991 8136 1 14 . 1 1 108 108 ALA H H 108 8.022 8.022 7.967 0.055 17991 8137 1 14 . 1 1 109 109 VAL N N 109 117.146 117.146 121.119 -3.973 17991 8138 1 14 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.734 0.054 17991 8139 1 14 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.448 -1.613 17991 8140 1 14 . 1 1 109 109 VAL H H 109 7.829 7.829 8.377 -0.548 17991 8141 1 14 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.326 0.154 17991 8142 1 14 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.886 0.559 17991 8143 1 14 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.204 0.175 17991 8144 1 14 . 1 1 111 111 LEU N N 111 117.393 117.393 118.839 -1.446 17991 8145 1 14 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.256 -0.043 17991 8146 1 14 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.562 1.220 17991 8147 1 14 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.113 0.335 17991 8148 1 14 . 1 1 111 111 LEU H H 111 7.538 7.538 7.551 -0.013 17991 8149 1 14 . 1 1 112 112 ILE N N 112 117.001 117.001 119.593 -2.592 17991 8150 1 14 . 1 1 112 112 ILE HA H 112 4.001 4.001 3.641 0.360 17991 8151 1 14 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.177 1.449 17991 8152 1 14 . 1 1 112 112 ILE H H 112 8.118 8.118 8.653 -0.535 17991 8153 1 14 . 1 1 113 113 GLY N N 113 106.840 106.840 108.566 -1.726 17991 8154 1 14 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.101 0.671 17991 8155 1 14 . 1 1 113 113 GLY H H 113 8.409 8.409 8.403 0.006 17991 8156 1 14 . 1 1 114 114 LYS N N 114 120.736 120.736 121.557 -0.821 17991 8157 1 14 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.986 0.134 17991 8158 1 14 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.911 0.227 17991 8159 1 14 . 1 1 114 114 LYS H H 114 7.847 7.847 7.223 0.624 17991 8160 1 14 . 1 1 115 115 TYR N N 115 117.055 117.055 117.176 -0.121 17991 8161 1 14 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.627 -0.355 17991 8162 1 14 . 1 1 115 115 TYR CA C 115 60.430 60.430 58.627 1.803 17991 8163 1 14 . 1 1 115 115 TYR H H 115 7.891 7.891 7.558 0.333 17991 8164 1 14 . 1 1 116 116 MET H H 116 8.170 8.170 7.833 0.337 17991 8165 1 14 . 1 1 117 117 LEU N N 117 117.768 117.768 116.923 0.845 17991 8166 1 14 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.090 -0.181 17991 8167 1 14 . 1 1 117 117 LEU CA C 117 58.594 58.594 58.000 0.594 17991 8168 1 14 . 1 1 117 117 LEU CB C 117 41.336 41.336 40.716 0.620 17991 8169 1 14 . 1 1 117 117 LEU H H 117 7.781 7.781 7.743 0.038 17991 8170 1 14 . 1 1 118 118 PHE N N 118 118.204 118.204 120.124 -1.920 17991 8171 1 14 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.218 0.210 17991 8172 1 14 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.741 -1.006 17991 8173 1 14 . 1 1 118 118 PHE H H 118 8.024 8.024 7.636 0.388 17991 8174 1 14 . 1 1 119 119 THR N N 119 114.941 114.941 112.082 2.859 17991 8175 1 14 . 1 1 119 119 THR HA H 119 3.972 3.972 4.044 -0.072 17991 8176 1 14 . 1 1 119 119 THR CA C 119 67.518 67.518 66.459 1.059 17991 8177 1 14 . 1 1 119 119 THR CB C 119 69.194 69.194 68.653 0.541 17991 8178 1 14 . 1 1 119 119 THR H H 119 8.171 8.171 8.221 -0.050 17991 8179 1 14 . 1 1 120 120 LYS N N 120 121.758 121.758 121.982 -0.224 17991 8180 1 14 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.971 0.009 17991 8181 1 14 . 1 1 120 120 LYS CA C 120 60.810 60.810 60.014 0.797 17991 8182 1 14 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.264 0.251 17991 8183 1 14 . 1 1 120 120 LYS H H 120 8.359 8.359 7.950 0.409 17991 8184 1 14 . 1 1 121 121 GLU N N 121 117.504 117.504 116.891 0.613 17991 8185 1 14 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.173 0.041 17991 8186 1 14 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.110 1.130 17991 8187 1 14 . 1 1 121 121 GLU CB C 121 28.383 28.383 29.890 -1.507 17991 8188 1 14 . 1 1 121 121 GLU H H 121 8.222 8.222 7.739 0.483 17991 8189 1 14 . 1 1 122 122 PHE N N 122 121.586 121.586 118.996 2.590 17991 8190 1 14 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.439 -0.145 17991 8191 1 14 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.922 0.652 17991 8192 1 14 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.434 -1.075 17991 8193 1 14 . 1 1 122 122 PHE H H 122 8.562 8.562 7.700 0.862 17991 8194 1 14 . 1 1 123 123 VAL N N 123 121.558 121.558 120.547 1.011 17991 8195 1 14 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.753 -0.237 17991 8196 1 14 . 1 1 123 123 VAL CA C 123 67.608 67.608 65.775 1.833 17991 8197 1 14 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.734 -0.273 17991 8198 1 14 . 1 1 123 123 VAL H H 123 8.784 8.784 9.029 -0.245 17991 8199 1 14 . 1 1 124 124 GLU N N 124 118.314 118.314 119.973 -1.659 17991 8200 1 14 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.055 -0.013 17991 8201 1 14 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.093 1.114 17991 8202 1 14 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.040 -0.615 17991 8203 1 14 . 1 1 124 124 GLU H H 124 8.564 8.564 8.150 0.414 17991 8204 1 14 . 1 1 125 125 SER N N 125 114.779 114.779 115.129 -0.350 17991 8205 1 14 . 1 1 125 125 SER HA H 125 4.265 4.265 4.272 -0.007 17991 8206 1 14 . 1 1 125 125 SER CA C 125 62.342 62.342 60.884 1.458 17991 8207 1 14 . 1 1 125 125 SER CB C 125 63.162 63.162 62.663 0.499 17991 8208 1 14 . 1 1 125 125 SER H H 125 8.348 8.348 8.276 0.072 17991 8209 1 14 . 1 1 126 126 SER N N 126 118.464 118.464 117.673 0.791 17991 8210 1 14 . 1 1 126 126 SER HA H 126 4.069 4.069 4.281 -0.212 17991 8211 1 14 . 1 1 126 126 SER CA C 126 62.846 62.846 61.782 1.064 17991 8212 1 14 . 1 1 126 126 SER H H 126 8.144 8.144 7.864 0.280 17991 8213 1 14 . 1 1 127 127 ILE N N 127 124.705 124.705 120.961 3.744 17991 8214 1 14 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.034 -0.353 17991 8215 1 14 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.294 2.347 17991 8216 1 14 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.977 0.057 17991 8217 1 14 . 1 1 127 127 ILE H H 127 8.280 8.280 7.399 0.881 17991 8218 1 14 . 1 1 128 128 LYS N N 128 119.907 119.907 120.876 -0.969 17991 8219 1 14 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.334 0.551 17991 8220 1 14 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.100 0.148 17991 8221 1 14 . 1 1 128 128 LYS H H 128 7.741 7.741 7.266 0.475 17991 8222 1 14 . 1 1 129 129 ILE N N 129 118.807 118.807 116.063 2.744 17991 8223 1 14 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.862 0.245 17991 8224 1 14 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.889 -0.497 17991 8225 1 14 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.386 -0.336 17991 8226 1 14 . 1 1 129 129 ILE H H 129 8.215 8.215 7.901 0.314 17991 8227 1 14 . 1 1 130 130 THR N N 130 117.328 117.328 113.997 3.331 17991 8228 1 14 . 1 1 130 130 THR HA H 130 3.921 3.921 3.836 0.085 17991 8229 1 14 . 1 1 130 130 THR CA C 130 68.210 68.210 65.734 2.476 17991 8230 1 14 . 1 1 130 130 THR H H 130 7.988 7.988 7.617 0.371 17991 8231 1 14 . 1 1 131 131 GLU N N 131 118.968 118.968 121.616 -2.648 17991 8232 1 14 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.068 -0.090 17991 8233 1 14 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.865 0.735 17991 8234 1 14 . 1 1 131 131 GLU H H 131 8.439 8.439 8.107 0.333 17991 8235 1 14 . 1 1 132 132 GLU N N 132 118.712 118.712 118.441 0.271 17991 8236 1 14 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.241 -0.015 17991 8237 1 14 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.276 0.990 17991 8238 1 14 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.029 -1.410 17991 8239 1 14 . 1 1 132 132 GLU H H 132 7.987 7.987 7.780 0.207 17991 8240 1 14 . 1 1 133 133 VAL N N 133 120.060 120.060 120.343 -0.283 17991 8241 1 14 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.622 0.245 17991 8242 1 14 . 1 1 133 133 VAL CA C 133 66.330 66.330 65.095 1.235 17991 8243 1 14 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.026 0.129 17991 8244 1 14 . 1 1 133 133 VAL H H 133 8.341 8.341 7.657 0.684 17991 8245 1 14 . 1 1 134 134 ILE N N 134 119.699 119.699 115.803 3.896 17991 8246 1 14 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.873 -0.013 17991 8247 1 14 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.384 1.800 17991 8248 1 14 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.282 0.620 17991 8249 1 14 . 1 1 134 134 ILE H H 134 8.331 8.331 7.383 0.948 17991 8250 1 14 . 1 1 135 135 ASN N N 135 117.396 117.396 117.914 -0.518 17991 8251 1 14 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.446 0.229 17991 8252 1 14 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.057 -0.552 17991 8253 1 14 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.180 0.947 17991 8254 1 14 . 1 1 135 135 ASN H H 135 8.318 8.318 7.919 0.399 17991 8255 1 14 . 1 1 136 136 THR N N 136 111.419 111.419 113.621 -2.202 17991 8256 1 14 . 1 1 136 136 THR HA H 136 4.308 4.308 4.326 -0.018 17991 8257 1 14 . 1 1 136 136 THR CA C 136 63.872 63.872 64.745 -0.873 17991 8258 1 14 . 1 1 136 136 THR CB C 136 69.779 69.779 68.934 0.845 17991 8259 1 14 . 1 1 136 136 THR H H 136 8.006 8.006 7.637 0.369 17991 8260 1 14 . 1 1 137 137 HIS N N 137 118.612 118.612 120.573 -1.961 17991 8261 1 14 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.376 0.327 17991 8262 1 14 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.872 -3.412 17991 8263 1 14 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.886 -1.174 17991 8264 1 14 . 1 1 137 137 HIS H H 137 8.013 8.013 7.833 0.180 17991 8265 1 14 . 1 1 138 138 HIS N N 138 118.709 118.709 117.535 1.174 17991 8266 1 14 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.409 0.417 17991 8267 1 14 . 1 1 138 138 HIS CA C 138 55.514 55.514 57.777 -2.263 17991 8268 1 14 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.378 -1.132 17991 8269 1 14 . 1 1 138 138 HIS H H 138 8.169 8.169 8.549 -0.380 17991 8270 1 14 . 1 1 139 139 ARG N N 139 123.025 123.025 119.633 3.392 17991 8271 1 14 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.090 0.476 17991 8272 1 14 . 1 1 139 139 ARG CA C 139 56.394 56.394 57.814 -1.420 17991 8273 1 14 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.472 0.549 17991 8274 1 14 . 1 1 139 139 ARG H H 139 8.419 8.419 7.802 0.617 17991 8275 1 15 . 1 1 8 8 HIS HA H 8 4.738 4.738 4.190 0.548 17991 8276 1 15 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.691 -0.915 17991 8277 1 15 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.240 0.104 17991 8278 1 15 . 1 1 8 8 HIS H H 8 8.686 8.686 7.895 0.791 17991 8279 1 15 . 1 1 9 9 ALA N N 9 124.079 124.079 119.646 4.433 17991 8280 1 15 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.298 0.089 17991 8281 1 15 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.932 0.355 17991 8282 1 15 . 1 1 9 9 ALA CB C 9 19.175 19.175 19.258 -0.083 17991 8283 1 15 . 1 1 9 9 ALA H H 9 8.457 8.457 8.247 0.210 17991 8284 1 15 . 1 1 10 10 MET N N 10 120.430 120.430 119.179 1.251 17991 8285 1 15 . 1 1 10 10 MET HA H 10 4.390 4.390 4.212 0.178 17991 8286 1 15 . 1 1 10 10 MET CA C 10 57.753 57.753 58.751 -0.998 17991 8287 1 15 . 1 1 10 10 MET CB C 10 32.355 32.355 32.521 -0.166 17991 8288 1 15 . 1 1 10 10 MET H H 10 8.545 8.545 8.223 0.322 17991 8289 1 15 . 1 1 11 11 VAL N N 11 119.159 119.159 115.215 3.944 17991 8290 1 15 . 1 1 11 11 VAL HA H 11 4.016 4.016 3.960 0.056 17991 8291 1 15 . 1 1 11 11 VAL CA C 11 65.271 65.271 63.947 1.324 17991 8292 1 15 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.623 -0.012 17991 8293 1 15 . 1 1 11 11 VAL H H 11 8.339 8.339 7.736 0.603 17991 8294 1 15 . 1 1 12 12 ILE N N 12 119.461 119.461 121.247 -1.786 17991 8295 1 15 . 1 1 12 12 ILE HA H 12 3.953 3.953 3.766 0.187 17991 8296 1 15 . 1 1 12 12 ILE CA C 12 64.334 64.334 64.111 0.223 17991 8297 1 15 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.239 -0.744 17991 8298 1 15 . 1 1 12 12 ILE H H 12 7.705 7.705 7.526 0.179 17991 8299 1 15 . 1 1 13 13 ASP N N 13 119.460 119.460 120.119 -0.659 17991 8300 1 15 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.720 -0.336 17991 8301 1 15 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.663 0.860 17991 8302 1 15 . 1 1 13 13 ASP CB C 13 39.412 39.412 40.935 -1.524 17991 8303 1 15 . 1 1 13 13 ASP H H 13 8.172 8.172 7.872 0.300 17991 8304 1 15 . 1 1 14 14 HIS N N 14 116.421 116.421 118.267 -1.846 17991 8305 1 15 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.511 0.029 17991 8306 1 15 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.919 -0.171 17991 8307 1 15 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.394 -1.742 17991 8308 1 15 . 1 1 14 14 HIS H H 14 8.138 8.138 7.522 0.616 17991 8309 1 15 . 1 1 15 15 ILE N N 15 119.970 119.970 119.897 0.073 17991 8310 1 15 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.915 -0.107 17991 8311 1 15 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.021 1.383 17991 8312 1 15 . 1 1 15 15 ILE CB C 15 37.787 37.787 36.602 1.185 17991 8313 1 15 . 1 1 15 15 ILE H H 15 8.224 8.224 7.680 0.544 17991 8314 1 15 . 1 1 16 16 LEU N N 16 118.635 118.635 122.129 -3.494 17991 8315 1 15 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.271 0.721 17991 8316 1 15 . 1 1 16 16 LEU CA C 16 58.786 58.786 57.722 1.064 17991 8317 1 15 . 1 1 16 16 LEU H H 16 8.480 8.480 7.798 0.682 17991 8318 1 15 . 1 1 17 17 LYS N N 17 118.257 118.257 118.009 0.248 17991 8319 1 15 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.034 0.060 17991 8320 1 15 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.282 0.600 17991 8321 1 15 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.767 0.449 17991 8322 1 15 . 1 1 17 17 LYS H H 17 8.098 8.098 8.046 0.052 17991 8323 1 15 . 1 1 18 18 CYS N N 18 117.220 117.220 117.658 -0.438 17991 8324 1 15 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.295 0.034 17991 8325 1 15 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.471 0.747 17991 8326 1 15 . 1 1 18 18 CYS CB C 18 26.822 26.822 28.005 -1.183 17991 8327 1 15 . 1 1 18 18 CYS H H 18 7.899 7.899 8.380 -0.481 17991 8328 1 15 . 1 1 19 19 VAL N N 19 118.929 118.929 119.932 -1.003 17991 8329 1 15 . 1 1 19 19 VAL HA H 19 3.725 3.725 4.074 -0.349 17991 8330 1 15 . 1 1 19 19 VAL CA C 19 67.080 67.080 64.676 2.404 17991 8331 1 15 . 1 1 19 19 VAL CB C 19 32.057 32.057 31.772 0.285 17991 8332 1 15 . 1 1 19 19 VAL H H 19 8.352 8.352 7.473 0.879 17991 8333 1 15 . 1 1 20 20 PHE N N 20 120.244 120.244 120.112 0.132 17991 8334 1 15 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.413 -0.139 17991 8335 1 15 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.763 1.863 17991 8336 1 15 . 1 1 20 20 PHE CB C 20 39.080 39.080 38.697 0.383 17991 8337 1 15 . 1 1 20 20 PHE H H 20 8.791 8.791 8.922 -0.131 17991 8338 1 15 . 1 1 21 21 ASP N N 21 118.761 118.761 120.436 -1.675 17991 8339 1 15 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.448 -0.085 17991 8340 1 15 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.235 0.282 17991 8341 1 15 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.910 -0.842 17991 8342 1 15 . 1 1 21 21 ASP H H 21 8.705 8.705 7.957 0.748 17991 8343 1 15 . 1 1 22 22 LYS N N 22 118.200 118.200 119.686 -1.486 17991 8344 1 15 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.194 -0.000 17991 8345 1 15 . 1 1 22 22 LYS CA C 22 58.593 58.593 58.943 -0.350 17991 8346 1 15 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.625 -0.326 17991 8347 1 15 . 1 1 22 22 LYS H H 22 7.810 7.810 7.554 0.256 17991 8348 1 15 . 1 1 23 23 ILE N N 23 118.534 118.534 120.276 -1.742 17991 8349 1 15 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.753 0.028 17991 8350 1 15 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.882 0.214 17991 8351 1 15 . 1 1 23 23 ILE H H 23 8.351 8.351 7.756 0.595 17991 8352 1 15 . 1 1 24 24 CYS N N 24 117.155 117.155 115.286 1.869 17991 8353 1 15 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.299 -0.250 17991 8354 1 15 . 1 1 24 24 CYS CA C 24 63.499 63.499 60.641 2.858 17991 8355 1 15 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.035 -0.409 17991 8356 1 15 . 1 1 24 24 CYS H H 24 8.203 8.203 7.903 0.300 17991 8357 1 15 . 1 1 25 25 LYS N N 25 119.995 119.995 122.007 -2.012 17991 8358 1 15 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.658 -0.896 17991 8359 1 15 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.297 0.087 17991 8360 1 15 . 1 1 25 25 LYS H H 25 7.760 7.760 7.310 0.450 17991 8361 1 15 . 1 1 26 26 ILE N N 26 119.168 119.168 118.308 0.860 17991 8362 1 15 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.896 0.078 17991 8363 1 15 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.703 1.403 17991 8364 1 15 . 1 1 26 26 ILE CB C 26 37.556 37.556 38.067 -0.511 17991 8365 1 15 . 1 1 26 26 ILE H H 26 8.055 8.055 8.000 0.055 17991 8366 1 15 . 1 1 27 27 GLY N N 27 108.257 108.257 105.919 2.338 17991 8367 1 15 . 1 1 27 27 GLY CA C 27 46.989 46.989 46.633 0.356 17991 8368 1 15 . 1 1 27 27 GLY H H 27 8.568 8.568 7.656 0.912 17991 8369 1 15 . 1 1 28 28 THR N N 28 112.727 112.727 114.696 -1.969 17991 8370 1 15 . 1 1 28 28 THR HA H 28 3.912 3.912 4.359 -0.447 17991 8371 1 15 . 1 1 28 28 THR CA C 28 64.717 64.717 64.082 0.635 17991 8372 1 15 . 1 1 28 28 THR CB C 28 69.375 69.375 69.455 -0.080 17991 8373 1 15 . 1 1 28 28 THR H H 28 8.059 8.059 7.403 0.656 17991 8374 1 15 . 1 1 29 29 GLU N N 29 120.068 120.068 120.675 -0.607 17991 8375 1 15 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.319 -0.715 17991 8376 1 15 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.934 -0.841 17991 8377 1 15 . 1 1 29 29 GLU H H 29 8.113 8.113 7.623 0.490 17991 8378 1 15 . 1 1 30 30 SER N N 30 114.882 114.882 116.236 -1.354 17991 8379 1 15 . 1 1 30 30 SER HA H 30 4.374 4.374 4.063 0.311 17991 8380 1 15 . 1 1 30 30 SER CA C 30 60.353 60.353 61.147 -0.794 17991 8381 1 15 . 1 1 30 30 SER H H 30 8.060 8.060 7.711 0.349 17991 8382 1 15 . 1 1 31 31 VAL N N 31 122.098 122.098 121.008 1.090 17991 8383 1 15 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.791 0.226 17991 8384 1 15 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.297 -0.670 17991 8385 1 15 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.185 0.800 17991 8386 1 15 . 1 1 31 31 VAL H H 31 8.127 8.127 7.962 0.165 17991 8387 1 15 . 1 1 32 32 GLU N N 32 120.280 120.280 120.375 -0.095 17991 8388 1 15 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.135 0.183 17991 8389 1 15 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.113 -1.226 17991 8390 1 15 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.440 -0.787 17991 8391 1 15 . 1 1 32 32 GLU H H 32 8.243 8.243 7.708 0.535 17991 8392 1 15 . 1 1 33 33 ALA N N 33 121.715 121.715 121.262 0.453 17991 8393 1 15 . 1 1 33 33 ALA HA H 33 4.189 4.189 3.919 0.270 17991 8394 1 15 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.217 0.507 17991 8395 1 15 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.679 1.049 17991 8396 1 15 . 1 1 33 33 ALA H H 33 8.218 8.218 7.417 0.801 17991 8397 1 15 . 1 1 34 34 GLY N N 34 104.656 104.656 105.434 -0.778 17991 8398 1 15 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.441 0.633 17991 8399 1 15 . 1 1 34 34 GLY H H 34 8.308 8.308 7.808 0.500 17991 8400 1 15 . 1 1 35 35 ARG N N 35 119.958 119.958 121.212 -1.254 17991 8401 1 15 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.373 -0.097 17991 8402 1 15 . 1 1 35 35 ARG CA C 35 58.025 58.025 55.708 2.317 17991 8403 1 15 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.514 0.775 17991 8404 1 15 . 1 1 35 35 ARG H H 35 7.975 7.975 7.527 0.448 17991 8405 1 15 . 1 1 36 36 LEU N N 36 118.931 118.931 121.258 -2.327 17991 8406 1 15 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.121 0.103 17991 8407 1 15 . 1 1 36 36 LEU CA C 36 57.803 57.803 58.124 -0.321 17991 8408 1 15 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.977 0.216 17991 8409 1 15 . 1 1 36 36 LEU H H 36 7.958 7.958 8.492 -0.534 17991 8410 1 15 . 1 1 37 37 ILE N N 37 118.087 118.087 118.915 -0.828 17991 8411 1 15 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.635 0.296 17991 8412 1 15 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.731 0.128 17991 8413 1 15 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.443 0.596 17991 8414 1 15 . 1 1 37 37 ILE H H 37 7.904 7.904 7.724 0.180 17991 8415 1 15 . 1 1 38 38 GLU N N 38 120.989 120.989 119.539 1.450 17991 8416 1 15 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.896 0.335 17991 8417 1 15 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.763 -1.318 17991 8418 1 15 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.383 -0.372 17991 8419 1 15 . 1 1 38 38 GLU H H 38 8.041 8.041 7.501 0.540 17991 8420 1 15 . 1 1 39 39 LEU N N 39 120.111 120.111 119.358 0.753 17991 8421 1 15 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.131 0.140 17991 8422 1 15 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.348 0.063 17991 8423 1 15 . 1 1 39 39 LEU CB C 39 42.295 42.295 40.883 1.412 17991 8424 1 15 . 1 1 39 39 LEU H H 39 8.173 8.173 7.678 0.495 17991 8425 1 15 . 1 1 40 40 SER N N 40 113.806 113.806 112.585 1.221 17991 8426 1 15 . 1 1 40 40 SER HA H 40 4.312 4.312 4.188 0.124 17991 8427 1 15 . 1 1 40 40 SER CA C 40 60.406 60.406 60.934 -0.528 17991 8428 1 15 . 1 1 40 40 SER CB C 40 63.646 63.646 63.169 0.477 17991 8429 1 15 . 1 1 40 40 SER H H 40 8.031 8.031 7.605 0.426 17991 8430 1 15 . 1 1 41 41 GLN N N 41 120.139 120.139 118.174 1.965 17991 8431 1 15 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.267 0.129 17991 8432 1 15 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.602 -1.002 17991 8433 1 15 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.710 -0.325 17991 8434 1 15 . 1 1 41 41 GLN H H 41 7.956 7.956 7.779 0.176 17991 8435 1 15 . 1 1 42 42 GLU N N 42 119.728 119.728 114.850 4.878 17991 8436 1 15 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.358 0.015 17991 8437 1 15 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.900 0.189 17991 8438 1 15 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.543 -2.188 17991 8439 1 15 . 1 1 42 42 GLU H H 42 8.114 8.114 8.467 -0.353 17991 8440 1 15 . 1 1 43 43 GLY N N 43 108.655 108.655 108.938 -0.283 17991 8441 1 15 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.084 -0.461 17991 8442 1 15 . 1 1 43 43 GLY H H 43 8.325 8.325 8.073 0.252 17991 8443 1 15 . 1 1 44 44 GLY N N 44 107.872 107.872 106.602 1.270 17991 8444 1 15 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.202 1.285 17991 8445 1 15 . 1 1 44 44 GLY H H 44 8.105 8.105 7.678 0.427 17991 8446 1 15 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.905 1.490 17991 8447 1 15 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.503 -0.034 17991 8448 1 15 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.420 1.010 17991 8449 1 15 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.936 0.385 17991 8450 1 15 . 1 1 50 50 LEU N N 50 116.864 116.864 118.215 -1.351 17991 8451 1 15 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.186 0.016 17991 8452 1 15 . 1 1 50 50 LEU CA C 50 57.549 57.549 57.367 0.182 17991 8453 1 15 . 1 1 50 50 LEU CB C 50 41.699 41.699 41.507 0.193 17991 8454 1 15 . 1 1 50 50 LEU H H 50 8.336 8.336 8.028 0.308 17991 8455 1 15 . 1 1 51 51 TYR N N 51 118.433 118.433 121.060 -2.627 17991 8456 1 15 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.183 -0.018 17991 8457 1 15 . 1 1 51 51 TYR CA C 51 61.034 61.034 60.572 0.462 17991 8458 1 15 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.333 0.151 17991 8459 1 15 . 1 1 51 51 TYR H H 51 7.765 7.765 7.804 -0.039 17991 8460 1 15 . 1 1 52 52 PHE N N 52 117.945 117.945 119.947 -2.002 17991 8461 1 15 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.624 0.636 17991 8462 1 15 . 1 1 52 52 PHE CA C 52 61.251 61.251 60.775 0.476 17991 8463 1 15 . 1 1 52 52 PHE CB C 52 39.319 39.319 38.752 0.567 17991 8464 1 15 . 1 1 52 52 PHE H H 52 7.873 7.873 7.751 0.122 17991 8465 1 15 . 1 1 53 53 VAL N N 53 117.468 117.468 118.065 -0.597 17991 8466 1 15 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.189 0.463 17991 8467 1 15 . 1 1 53 53 VAL CA C 53 66.298 66.298 64.820 1.478 17991 8468 1 15 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.823 -0.013 17991 8469 1 15 . 1 1 53 53 VAL H H 53 7.864 7.864 7.233 0.631 17991 8470 1 15 . 1 1 54 54 VAL N N 54 116.929 116.929 120.638 -3.709 17991 8471 1 15 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.725 -0.023 17991 8472 1 15 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.095 -0.028 17991 8473 1 15 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.431 0.370 17991 8474 1 15 . 1 1 54 54 VAL H H 54 7.958 7.958 7.961 -0.003 17991 8475 1 15 . 1 1 55 55 ASN N N 55 115.543 115.543 114.668 0.875 17991 8476 1 15 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.764 -0.134 17991 8477 1 15 . 1 1 55 55 ASN CA C 55 55.460 55.460 54.729 0.731 17991 8478 1 15 . 1 1 55 55 ASN CB C 55 39.929 39.929 39.177 0.752 17991 8479 1 15 . 1 1 55 55 ASN H H 55 7.823 7.823 8.053 -0.230 17991 8480 1 15 . 1 1 56 56 VAL N N 56 116.125 116.125 117.225 -1.100 17991 8481 1 15 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.798 0.299 17991 8482 1 15 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.637 -0.498 17991 8483 1 15 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.178 -0.175 17991 8484 1 15 . 1 1 56 56 VAL H H 56 7.664 7.664 7.300 0.364 17991 8485 1 15 . 1 1 57 57 ILE N N 57 116.872 116.872 118.671 -1.799 17991 8486 1 15 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.794 0.215 17991 8487 1 15 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.839 0.711 17991 8488 1 15 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.658 1.105 17991 8489 1 15 . 1 1 57 57 ILE H H 57 7.587 7.587 7.849 -0.262 17991 8490 1 15 . 1 1 58 58 GLU N N 58 118.190 118.190 120.651 -2.461 17991 8491 1 15 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.093 0.106 17991 8492 1 15 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.769 -1.464 17991 8493 1 15 . 1 1 58 58 GLU H H 58 8.114 8.114 7.809 0.305 17991 8494 1 15 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.358 0.151 17991 8495 1 15 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.057 0.505 17991 8496 1 15 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.267 0.199 17991 8497 1 15 . 1 1 60 60 CYS N N 60 115.035 115.035 117.933 -2.898 17991 8498 1 15 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.188 0.080 17991 8499 1 15 . 1 1 60 60 CYS CA C 60 62.113 62.113 62.308 -0.195 17991 8500 1 15 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.068 -0.078 17991 8501 1 15 . 1 1 60 60 CYS H H 60 7.913 7.913 7.602 0.311 17991 8502 1 15 . 1 1 61 61 LYS N N 61 121.184 121.184 120.177 1.007 17991 8503 1 15 . 1 1 61 61 LYS HA H 61 4.272 4.272 4.002 0.270 17991 8504 1 15 . 1 1 61 61 LYS CA C 61 59.089 59.089 60.007 -0.918 17991 8505 1 15 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.055 0.373 17991 8506 1 15 . 1 1 61 61 LYS H H 61 8.197 8.197 8.009 0.188 17991 8507 1 15 . 1 1 62 62 LYS N N 62 118.253 118.253 118.501 -0.248 17991 8508 1 15 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.033 -1.189 17991 8509 1 15 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.344 -0.255 17991 8510 1 15 . 1 1 62 62 LYS H H 62 7.982 7.982 7.909 0.073 17991 8511 1 15 . 1 1 63 63 PHE N N 63 118.763 118.763 118.129 0.634 17991 8512 1 15 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.390 -0.135 17991 8513 1 15 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.502 1.032 17991 8514 1 15 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.221 -0.071 17991 8515 1 15 . 1 1 63 63 PHE H H 63 8.155 8.155 7.632 0.523 17991 8516 1 15 . 1 1 64 64 SER N N 64 114.881 114.881 116.038 -1.157 17991 8517 1 15 . 1 1 64 64 SER HA H 64 4.268 4.268 3.862 0.406 17991 8518 1 15 . 1 1 64 64 SER CA C 64 61.588 61.588 61.575 0.013 17991 8519 1 15 . 1 1 64 64 SER CB C 64 63.175 63.175 63.050 0.124 17991 8520 1 15 . 1 1 64 64 SER H H 64 8.218 8.218 7.933 0.285 17991 8521 1 15 . 1 1 65 65 GLU N N 65 120.937 120.937 118.008 2.929 17991 8522 1 15 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.202 0.082 17991 8523 1 15 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.063 0.148 17991 8524 1 15 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.989 -1.028 17991 8525 1 15 . 1 1 65 65 GLU H H 65 8.067 8.067 7.898 0.169 17991 8526 1 15 . 1 1 66 66 LEU N N 66 118.904 118.904 119.813 -0.909 17991 8527 1 15 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.004 0.259 17991 8528 1 15 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.322 -0.100 17991 8529 1 15 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.726 0.599 17991 8530 1 15 . 1 1 66 66 LEU H H 66 8.003 8.003 7.599 0.404 17991 8531 1 15 . 1 1 67 67 THR N N 67 108.190 108.190 112.519 -4.329 17991 8532 1 15 . 1 1 67 67 THR HA H 67 4.043 4.043 3.928 0.115 17991 8533 1 15 . 1 1 67 67 THR CA C 67 64.579 64.579 65.886 -1.308 17991 8534 1 15 . 1 1 67 67 THR CB C 67 69.410 69.410 68.269 1.141 17991 8535 1 15 . 1 1 67 67 THR H H 67 7.783 7.783 7.531 0.252 17991 8536 1 15 . 1 1 68 68 GLY N N 68 108.141 108.141 107.446 0.695 17991 8537 1 15 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.323 0.921 17991 8538 1 15 . 1 1 68 68 GLY H H 68 7.964 7.964 7.432 0.532 17991 8539 1 15 . 1 1 69 69 LEU N N 69 120.124 120.124 121.275 -1.151 17991 8540 1 15 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.673 -0.321 17991 8541 1 15 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.825 0.660 17991 8542 1 15 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.753 -0.379 17991 8543 1 15 . 1 1 69 69 LEU H H 69 7.749 7.749 7.540 0.209 17991 8544 1 15 . 1 1 70 70 VAL N N 70 115.546 115.546 118.240 -2.694 17991 8545 1 15 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.954 -0.019 17991 8546 1 15 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.675 -1.046 17991 8547 1 15 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.255 0.008 17991 8548 1 15 . 1 1 70 70 VAL H H 70 7.607 7.607 7.563 0.044 17991 8549 1 15 . 1 1 71 71 PHE N N 71 119.035 119.035 115.766 3.269 17991 8550 1 15 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.601 -0.043 17991 8551 1 15 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.117 -0.570 17991 8552 1 15 . 1 1 71 71 PHE CB C 71 39.300 39.300 40.265 -0.965 17991 8553 1 15 . 1 1 71 71 PHE H H 71 7.618 7.618 7.960 -0.342 17991 8554 1 15 . 1 1 72 72 TYR N N 72 118.365 118.365 118.912 -0.547 17991 8555 1 15 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.617 -0.038 17991 8556 1 15 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.673 -1.577 17991 8557 1 15 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.801 -1.557 17991 8558 1 15 . 1 1 72 72 TYR H H 72 7.740 7.740 7.711 0.029 17991 8559 1 15 . 1 1 73 73 LEU N N 73 121.184 121.184 122.028 -0.844 17991 8560 1 15 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.710 -0.135 17991 8561 1 15 . 1 1 73 73 LEU CA C 73 53.549 53.549 52.170 1.379 17991 8562 1 15 . 1 1 73 73 LEU CB C 73 42.081 42.081 44.038 -1.958 17991 8563 1 15 . 1 1 73 73 LEU H H 73 7.713 7.713 7.610 0.103 17991 8564 1 15 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.703 -0.065 17991 8565 1 15 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.395 0.809 17991 8566 1 15 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.491 -0.810 17991 8567 1 15 . 1 1 75 75 THR N N 75 113.231 113.231 115.888 -2.657 17991 8568 1 15 . 1 1 75 75 THR HA H 75 4.339 4.339 4.022 0.317 17991 8569 1 15 . 1 1 75 75 THR CA C 75 62.684 62.684 64.803 -2.119 17991 8570 1 15 . 1 1 75 75 THR H H 75 8.217 8.217 8.481 -0.264 17991 8571 1 15 . 1 1 76 76 ASP N N 76 120.892 120.892 116.886 4.006 17991 8572 1 15 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.560 0.230 17991 8573 1 15 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.536 0.703 17991 8574 1 15 . 1 1 76 76 ASP CB C 76 40.315 40.315 41.886 -1.571 17991 8575 1 15 . 1 1 76 76 ASP H H 76 8.406 8.406 7.514 0.892 17991 8576 1 15 . 1 1 77 77 SER N N 77 115.861 115.861 115.453 0.408 17991 8577 1 15 . 1 1 77 77 SER HA H 77 4.345 4.345 4.236 0.109 17991 8578 1 15 . 1 1 77 77 SER CA C 77 60.528 60.528 59.910 0.618 17991 8579 1 15 . 1 1 77 77 SER CB C 77 63.812 63.812 63.384 0.428 17991 8580 1 15 . 1 1 77 77 SER H H 77 8.238 8.238 8.578 -0.340 17991 8581 1 15 . 1 1 78 78 GLY N N 78 110.440 110.440 106.654 3.786 17991 8582 1 15 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.316 1.337 17991 8583 1 15 . 1 1 78 78 GLY H H 78 8.570 8.570 7.751 0.819 17991 8584 1 15 . 1 1 79 79 GLU N N 79 121.242 121.242 121.385 -0.143 17991 8585 1 15 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.318 0.002 17991 8586 1 15 . 1 1 79 79 GLU CA C 79 58.018 58.018 58.758 -0.740 17991 8587 1 15 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.706 -0.624 17991 8588 1 15 . 1 1 79 79 GLU H H 79 8.237 8.237 8.394 -0.157 17991 8589 1 15 . 1 1 80 80 LYS N N 80 119.708 119.708 118.693 1.015 17991 8590 1 15 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.251 0.068 17991 8591 1 15 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.386 -0.505 17991 8592 1 15 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.325 0.421 17991 8593 1 15 . 1 1 80 80 LYS H H 80 8.252 8.252 8.320 -0.068 17991 8594 1 15 . 1 1 81 81 MET N N 81 119.849 119.849 117.397 2.452 17991 8595 1 15 . 1 1 81 81 MET HA H 81 4.367 4.367 4.380 -0.013 17991 8596 1 15 . 1 1 81 81 MET CA C 81 57.845 57.845 59.602 -1.757 17991 8597 1 15 . 1 1 81 81 MET CB C 81 32.658 32.658 32.192 0.466 17991 8598 1 15 . 1 1 81 81 MET H H 81 8.419 8.419 7.976 0.443 17991 8599 1 15 . 1 1 82 82 THR N N 82 114.947 114.947 113.827 1.120 17991 8600 1 15 . 1 1 82 82 THR HA H 82 4.132 4.132 3.971 0.161 17991 8601 1 15 . 1 1 82 82 THR CA C 82 65.377 65.377 66.457 -1.080 17991 8602 1 15 . 1 1 82 82 THR CB C 82 69.035 69.035 68.249 0.786 17991 8603 1 15 . 1 1 82 82 THR H H 82 8.115 8.115 7.745 0.370 17991 8604 1 15 . 1 1 83 83 GLU N N 83 121.416 121.416 119.008 2.408 17991 8605 1 15 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.290 0.083 17991 8606 1 15 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.670 -0.606 17991 8607 1 15 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.664 -0.722 17991 8608 1 15 . 1 1 83 83 GLU H H 83 8.336 8.336 7.837 0.499 17991 8609 1 15 . 1 1 84 84 SER N N 84 115.783 115.783 113.473 2.310 17991 8610 1 15 . 1 1 84 84 SER HA H 84 4.278 4.278 4.554 -0.276 17991 8611 1 15 . 1 1 84 84 SER CA C 84 61.685 61.685 60.608 1.077 17991 8612 1 15 . 1 1 84 84 SER H H 84 8.191 8.191 7.915 0.276 17991 8613 1 15 . 1 1 85 85 LYS N N 85 121.318 121.318 120.819 0.499 17991 8614 1 15 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.312 -0.227 17991 8615 1 15 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.528 1.260 17991 8616 1 15 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.716 -0.286 17991 8617 1 15 . 1 1 85 85 LYS H H 85 8.113 8.113 8.182 -0.069 17991 8618 1 15 . 1 1 86 86 SER N N 86 115.042 115.042 115.976 -0.934 17991 8619 1 15 . 1 1 86 86 SER HA H 86 4.389 4.389 4.256 0.133 17991 8620 1 15 . 1 1 86 86 SER CA C 86 61.437 61.437 60.977 0.460 17991 8621 1 15 . 1 1 86 86 SER CB C 86 63.116 63.116 62.687 0.429 17991 8622 1 15 . 1 1 86 86 SER H H 86 8.066 8.066 7.845 0.221 17991 8623 1 15 . 1 1 87 87 VAL N N 87 122.920 122.920 120.762 2.158 17991 8624 1 15 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.819 0.561 17991 8625 1 15 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.588 0.535 17991 8626 1 15 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.201 0.178 17991 8627 1 15 . 1 1 87 87 VAL H H 87 8.103 8.103 7.895 0.208 17991 8628 1 15 . 1 1 88 88 LEU N N 88 119.501 119.501 118.508 0.993 17991 8629 1 15 . 1 1 88 88 LEU HA H 88 4.122 4.122 4.086 0.036 17991 8630 1 15 . 1 1 88 88 LEU CA C 88 57.906 57.906 56.967 0.939 17991 8631 1 15 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.588 0.356 17991 8632 1 15 . 1 1 88 88 LEU H H 88 8.146 8.146 7.789 0.357 17991 8633 1 15 . 1 1 89 89 LYS N N 89 120.285 120.285 120.280 0.005 17991 8634 1 15 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.065 0.030 17991 8635 1 15 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.225 0.662 17991 8636 1 15 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.467 -0.241 17991 8637 1 15 . 1 1 89 89 LYS H H 89 8.245 8.245 7.468 0.777 17991 8638 1 15 . 1 1 90 90 SER N N 90 115.131 115.131 114.737 0.394 17991 8639 1 15 . 1 1 90 90 SER HA H 90 4.362 4.362 4.305 0.057 17991 8640 1 15 . 1 1 90 90 SER CA C 90 61.815 61.815 60.511 1.304 17991 8641 1 15 . 1 1 90 90 SER H H 90 8.037 8.037 8.230 -0.193 17991 8642 1 15 . 1 1 91 91 LEU N N 91 120.855 120.855 121.892 -1.037 17991 8643 1 15 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.211 -0.063 17991 8644 1 15 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.654 0.759 17991 8645 1 15 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.641 0.534 17991 8646 1 15 . 1 1 91 91 LEU H H 91 8.445 8.445 7.226 1.219 17991 8647 1 15 . 1 1 92 92 THR N N 92 112.933 112.933 115.708 -2.775 17991 8648 1 15 . 1 1 92 92 THR HA H 92 3.904 3.904 3.953 -0.049 17991 8649 1 15 . 1 1 92 92 THR CA C 92 67.390 67.390 66.541 0.849 17991 8650 1 15 . 1 1 92 92 THR CB C 92 69.367 69.367 68.090 1.277 17991 8651 1 15 . 1 1 92 92 THR H H 92 8.383 8.383 7.636 0.747 17991 8652 1 15 . 1 1 93 93 GLU N N 93 120.387 120.387 120.233 0.154 17991 8653 1 15 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.596 -0.109 17991 8654 1 15 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.407 -0.262 17991 8655 1 15 . 1 1 93 93 GLU H H 93 7.971 7.971 8.146 -0.175 17991 8656 1 15 . 1 1 94 94 LYS N N 94 118.470 118.470 117.820 0.650 17991 8657 1 15 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.222 -0.056 17991 8658 1 15 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.147 0.899 17991 8659 1 15 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.656 -0.308 17991 8660 1 15 . 1 1 94 94 LYS H H 94 7.804 7.804 7.971 -0.167 17991 8661 1 15 . 1 1 95 95 LEU N N 95 118.397 118.397 121.974 -3.577 17991 8662 1 15 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.579 -0.420 17991 8663 1 15 . 1 1 95 95 LEU CA C 95 57.877 57.877 57.088 0.789 17991 8664 1 15 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.344 -0.395 17991 8665 1 15 . 1 1 95 95 LEU H H 95 8.256 8.256 7.734 0.522 17991 8666 1 15 . 1 1 96 96 LYS N N 96 117.747 117.747 118.320 -0.573 17991 8667 1 15 . 1 1 96 96 LYS HA H 96 3.940 3.940 3.977 -0.037 17991 8668 1 15 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.449 0.833 17991 8669 1 15 . 1 1 96 96 LYS CB C 96 32.349 32.349 31.723 0.626 17991 8670 1 15 . 1 1 96 96 LYS H H 96 8.105 8.105 8.756 -0.651 17991 8671 1 15 . 1 1 97 97 LYS N N 97 116.451 116.451 119.737 -3.286 17991 8672 1 15 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.201 -0.034 17991 8673 1 15 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.291 1.252 17991 8674 1 15 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.027 0.124 17991 8675 1 15 . 1 1 97 97 LYS H H 97 7.520 7.520 7.541 -0.021 17991 8676 1 15 . 1 1 98 98 ILE N N 98 117.587 117.587 122.206 -4.619 17991 8677 1 15 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.792 0.138 17991 8678 1 15 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.963 0.336 17991 8679 1 15 . 1 1 98 98 ILE CB C 98 37.749 37.749 37.976 -0.227 17991 8680 1 15 . 1 1 98 98 ILE H H 98 7.782 7.782 8.342 -0.560 17991 8681 1 15 . 1 1 99 99 VAL N N 99 116.989 116.989 119.967 -2.978 17991 8682 1 15 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.739 0.086 17991 8683 1 15 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.941 0.022 17991 8684 1 15 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.432 0.050 17991 8685 1 15 . 1 1 99 99 VAL H H 99 7.917 7.917 7.539 0.378 17991 8686 1 15 . 1 1 100 100 GLU N N 100 116.782 116.782 119.160 -2.378 17991 8687 1 15 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.263 -0.050 17991 8688 1 15 . 1 1 100 100 GLU CA C 100 57.974 57.974 57.995 -0.021 17991 8689 1 15 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.102 -1.179 17991 8690 1 15 . 1 1 100 100 GLU H H 100 7.702 7.702 8.192 -0.490 17991 8691 1 15 . 1 1 101 101 LEU N N 101 118.218 118.218 119.769 -1.551 17991 8692 1 15 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.401 -0.246 17991 8693 1 15 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.376 -0.639 17991 8694 1 15 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.194 -1.155 17991 8695 1 15 . 1 1 101 101 LEU H H 101 7.751 7.751 7.685 0.066 17991 8696 1 15 . 1 1 102 102 ILE N N 102 119.412 119.412 117.343 2.069 17991 8697 1 15 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.491 -0.764 17991 8698 1 15 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.978 2.831 17991 8699 1 15 . 1 1 102 102 ILE H H 102 7.559 7.559 8.268 -0.709 17991 8700 1 15 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.364 0.223 17991 8701 1 15 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.275 0.014 17991 8702 1 15 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.953 -0.067 17991 8703 1 15 . 1 1 104 104 SER N N 104 112.794 112.794 113.317 -0.523 17991 8704 1 15 . 1 1 104 104 SER HA H 104 4.571 4.571 4.342 0.229 17991 8705 1 15 . 1 1 104 104 SER CA C 104 59.286 59.286 61.234 -1.948 17991 8706 1 15 . 1 1 104 104 SER CB C 104 63.849 63.849 63.036 0.813 17991 8707 1 15 . 1 1 104 104 SER H H 104 8.100 8.100 8.501 -0.401 17991 8708 1 15 . 1 1 105 105 THR N N 105 114.655 114.655 112.891 1.764 17991 8709 1 15 . 1 1 105 105 THR HA H 105 4.318 4.318 4.447 -0.129 17991 8710 1 15 . 1 1 105 105 THR CA C 105 64.056 64.056 64.163 -0.107 17991 8711 1 15 . 1 1 105 105 THR CB C 105 69.861 69.861 69.224 0.637 17991 8712 1 15 . 1 1 105 105 THR H H 105 8.186 8.186 7.644 0.542 17991 8713 1 15 . 1 1 106 106 SER N N 106 116.165 116.165 118.464 -2.299 17991 8714 1 15 . 1 1 106 106 SER HA H 106 4.344 4.344 4.125 0.219 17991 8715 1 15 . 1 1 106 106 SER CA C 106 60.864 60.864 61.590 -0.726 17991 8716 1 15 . 1 1 106 106 SER CB C 106 63.462 63.462 62.499 0.963 17991 8717 1 15 . 1 1 106 106 SER H H 106 8.200 8.200 8.022 0.178 17991 8718 1 15 . 1 1 107 107 SER N N 107 116.732 116.732 118.596 -1.864 17991 8719 1 15 . 1 1 107 107 SER HA H 107 4.413 4.413 4.233 0.180 17991 8720 1 15 . 1 1 107 107 SER CA C 107 60.051 60.051 60.935 -0.884 17991 8721 1 15 . 1 1 107 107 SER CB C 107 63.921 63.921 62.823 1.098 17991 8722 1 15 . 1 1 107 107 SER H H 107 8.114 8.114 8.067 0.047 17991 8723 1 15 . 1 1 108 108 ALA N N 108 122.523 122.523 122.357 0.166 17991 8724 1 15 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.359 0.075 17991 8725 1 15 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.752 -0.270 17991 8726 1 15 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.865 0.466 17991 8727 1 15 . 1 1 108 108 ALA H H 108 8.022 8.022 8.055 -0.033 17991 8728 1 15 . 1 1 109 109 VAL N N 109 117.146 117.146 121.669 -4.523 17991 8729 1 15 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.775 0.013 17991 8730 1 15 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.251 -1.416 17991 8731 1 15 . 1 1 109 109 VAL H H 109 7.829 7.829 8.310 -0.481 17991 8732 1 15 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.344 0.136 17991 8733 1 15 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.926 0.519 17991 8734 1 15 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.228 0.151 17991 8735 1 15 . 1 1 111 111 LEU N N 111 117.393 117.393 118.922 -1.529 17991 8736 1 15 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.359 -0.146 17991 8737 1 15 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.574 1.208 17991 8738 1 15 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.203 0.245 17991 8739 1 15 . 1 1 111 111 LEU H H 111 7.538 7.538 7.604 -0.066 17991 8740 1 15 . 1 1 112 112 ILE N N 112 117.001 117.001 119.551 -2.550 17991 8741 1 15 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.243 -0.242 17991 8742 1 15 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.384 1.242 17991 8743 1 15 . 1 1 112 112 ILE H H 112 8.118 8.118 8.860 -0.742 17991 8744 1 15 . 1 1 113 113 GLY N N 113 106.840 106.840 108.771 -1.931 17991 8745 1 15 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.176 0.596 17991 8746 1 15 . 1 1 113 113 GLY H H 113 8.409 8.409 8.556 -0.147 17991 8747 1 15 . 1 1 114 114 LYS N N 114 120.736 120.736 121.744 -1.008 17991 8748 1 15 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.944 0.176 17991 8749 1 15 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.816 0.323 17991 8750 1 15 . 1 1 114 114 LYS H H 114 7.847 7.847 7.454 0.393 17991 8751 1 15 . 1 1 115 115 TYR N N 115 117.055 117.055 117.306 -0.251 17991 8752 1 15 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.534 -0.262 17991 8753 1 15 . 1 1 115 115 TYR CA C 115 60.430 60.430 60.638 -0.208 17991 8754 1 15 . 1 1 115 115 TYR H H 115 7.891 7.891 7.983 -0.092 17991 8755 1 15 . 1 1 116 116 MET H H 116 8.170 8.170 7.684 0.486 17991 8756 1 15 . 1 1 117 117 LEU N N 117 117.768 117.768 118.224 -0.456 17991 8757 1 15 . 1 1 117 117 LEU HA H 117 3.909 3.909 3.985 -0.076 17991 8758 1 15 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.138 1.456 17991 8759 1 15 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.606 -0.270 17991 8760 1 15 . 1 1 117 117 LEU H H 117 7.781 7.781 7.629 0.152 17991 8761 1 15 . 1 1 118 118 PHE N N 118 118.204 118.204 119.950 -1.746 17991 8762 1 15 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.046 0.382 17991 8763 1 15 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.667 -0.932 17991 8764 1 15 . 1 1 118 118 PHE H H 118 8.024 8.024 7.620 0.404 17991 8765 1 15 . 1 1 119 119 THR N N 119 114.941 114.941 112.194 2.747 17991 8766 1 15 . 1 1 119 119 THR HA H 119 3.972 3.972 4.091 -0.119 17991 8767 1 15 . 1 1 119 119 THR CA C 119 67.518 67.518 66.346 1.172 17991 8768 1 15 . 1 1 119 119 THR CB C 119 69.194 69.194 68.908 0.286 17991 8769 1 15 . 1 1 119 119 THR H H 119 8.171 8.171 8.028 0.143 17991 8770 1 15 . 1 1 120 120 LYS N N 120 121.758 121.758 121.217 0.541 17991 8771 1 15 . 1 1 120 120 LYS HA H 120 3.980 3.980 3.996 -0.016 17991 8772 1 15 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.491 1.319 17991 8773 1 15 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.356 0.159 17991 8774 1 15 . 1 1 120 120 LYS H H 120 8.359 8.359 7.703 0.656 17991 8775 1 15 . 1 1 121 121 GLU N N 121 117.504 117.504 116.990 0.514 17991 8776 1 15 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.229 -0.015 17991 8777 1 15 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.310 0.930 17991 8778 1 15 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.105 -1.722 17991 8779 1 15 . 1 1 121 121 GLU H H 121 8.222 8.222 7.731 0.491 17991 8780 1 15 . 1 1 122 122 PHE N N 122 121.586 121.586 119.901 1.685 17991 8781 1 15 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.491 -0.197 17991 8782 1 15 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.473 1.101 17991 8783 1 15 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.284 -0.925 17991 8784 1 15 . 1 1 122 122 PHE H H 122 8.562 8.562 7.912 0.650 17991 8785 1 15 . 1 1 123 123 VAL N N 123 121.558 121.558 119.430 2.128 17991 8786 1 15 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.647 -0.131 17991 8787 1 15 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.562 1.046 17991 8788 1 15 . 1 1 123 123 VAL CB C 123 31.461 31.461 30.663 0.798 17991 8789 1 15 . 1 1 123 123 VAL H H 123 8.784 8.784 8.821 -0.037 17991 8790 1 15 . 1 1 124 124 GLU N N 124 118.314 118.314 119.782 -1.468 17991 8791 1 15 . 1 1 124 124 GLU HA H 124 4.042 4.042 3.987 0.055 17991 8792 1 15 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.227 0.980 17991 8793 1 15 . 1 1 124 124 GLU CB C 124 28.425 28.425 28.882 -0.457 17991 8794 1 15 . 1 1 124 124 GLU H H 124 8.564 8.564 8.130 0.434 17991 8795 1 15 . 1 1 125 125 SER N N 125 114.779 114.779 115.504 -0.725 17991 8796 1 15 . 1 1 125 125 SER HA H 125 4.265 4.265 3.960 0.305 17991 8797 1 15 . 1 1 125 125 SER CA C 125 62.342 62.342 61.394 0.948 17991 8798 1 15 . 1 1 125 125 SER CB C 125 63.162 63.162 62.639 0.523 17991 8799 1 15 . 1 1 125 125 SER H H 125 8.348 8.348 8.046 0.302 17991 8800 1 15 . 1 1 126 126 SER N N 126 118.464 118.464 116.937 1.527 17991 8801 1 15 . 1 1 126 126 SER HA H 126 4.069 4.069 4.265 -0.196 17991 8802 1 15 . 1 1 126 126 SER CA C 126 62.846 62.846 61.921 0.925 17991 8803 1 15 . 1 1 126 126 SER H H 126 8.144 8.144 7.592 0.552 17991 8804 1 15 . 1 1 127 127 ILE N N 127 124.705 124.705 120.665 4.040 17991 8805 1 15 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.186 -0.505 17991 8806 1 15 . 1 1 127 127 ILE CA C 127 65.641 65.641 62.719 2.922 17991 8807 1 15 . 1 1 127 127 ILE CB C 127 38.034 38.034 38.065 -0.031 17991 8808 1 15 . 1 1 127 127 ILE H H 127 8.280 8.280 7.528 0.752 17991 8809 1 15 . 1 1 128 128 LYS N N 128 119.907 119.907 120.824 -0.917 17991 8810 1 15 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.544 0.341 17991 8811 1 15 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.212 0.036 17991 8812 1 15 . 1 1 128 128 LYS H H 128 7.741 7.741 7.969 -0.228 17991 8813 1 15 . 1 1 129 129 ILE N N 129 118.807 118.807 117.818 0.989 17991 8814 1 15 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.733 0.374 17991 8815 1 15 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.465 -0.073 17991 8816 1 15 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.198 -0.148 17991 8817 1 15 . 1 1 129 129 ILE H H 129 8.215 8.215 7.696 0.519 17991 8818 1 15 . 1 1 130 130 THR N N 130 117.328 117.328 114.544 2.784 17991 8819 1 15 . 1 1 130 130 THR HA H 130 3.921 3.921 3.811 0.110 17991 8820 1 15 . 1 1 130 130 THR CA C 130 68.210 68.210 66.056 2.154 17991 8821 1 15 . 1 1 130 130 THR H H 130 7.988 7.988 7.632 0.356 17991 8822 1 15 . 1 1 131 131 GLU N N 131 118.968 118.968 121.851 -2.883 17991 8823 1 15 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.002 -0.024 17991 8824 1 15 . 1 1 131 131 GLU CA C 131 59.600 59.600 59.085 0.515 17991 8825 1 15 . 1 1 131 131 GLU H H 131 8.439 8.439 8.192 0.247 17991 8826 1 15 . 1 1 132 132 GLU N N 132 118.712 118.712 118.112 0.600 17991 8827 1 15 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.315 -0.089 17991 8828 1 15 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.535 0.731 17991 8829 1 15 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.080 -1.461 17991 8830 1 15 . 1 1 132 132 GLU H H 132 7.987 7.987 7.950 0.037 17991 8831 1 15 . 1 1 133 133 VAL N N 133 120.060 120.060 119.499 0.561 17991 8832 1 15 . 1 1 133 133 VAL HA H 133 3.867 3.867 4.101 -0.234 17991 8833 1 15 . 1 1 133 133 VAL CA C 133 66.330 66.330 63.724 2.606 17991 8834 1 15 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.298 -0.142 17991 8835 1 15 . 1 1 133 133 VAL H H 133 8.341 8.341 7.716 0.625 17991 8836 1 15 . 1 1 134 134 ILE N N 134 119.699 119.699 117.970 1.729 17991 8837 1 15 . 1 1 134 134 ILE HA H 134 3.860 3.860 4.039 -0.179 17991 8838 1 15 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.918 1.266 17991 8839 1 15 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.221 0.681 17991 8840 1 15 . 1 1 134 134 ILE H H 134 8.331 8.331 8.048 0.283 17991 8841 1 15 . 1 1 135 135 ASN N N 135 117.396 117.396 118.238 -0.842 17991 8842 1 15 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.438 0.237 17991 8843 1 15 . 1 1 135 135 ASN CA C 135 55.505 55.505 56.429 -0.924 17991 8844 1 15 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.339 0.788 17991 8845 1 15 . 1 1 135 135 ASN H H 135 8.318 8.318 8.629 -0.311 17991 8846 1 15 . 1 1 136 136 THR N N 136 111.419 111.419 112.772 -1.353 17991 8847 1 15 . 1 1 136 136 THR HA H 136 4.308 4.308 4.409 -0.101 17991 8848 1 15 . 1 1 136 136 THR CA C 136 63.872 63.872 65.430 -1.558 17991 8849 1 15 . 1 1 136 136 THR CB C 136 69.779 69.779 69.237 0.542 17991 8850 1 15 . 1 1 136 136 THR H H 136 8.006 8.006 7.556 0.450 17991 8851 1 15 . 1 1 137 137 HIS N N 137 118.612 118.612 121.708 -3.096 17991 8852 1 15 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.178 0.525 17991 8853 1 15 . 1 1 137 137 HIS CA C 137 56.460 56.460 58.717 -2.257 17991 8854 1 15 . 1 1 137 137 HIS CB C 137 28.712 28.712 30.148 -1.436 17991 8855 1 15 . 1 1 137 137 HIS H H 137 8.013 8.013 7.523 0.490 17991 8856 1 15 . 1 1 138 138 HIS N N 138 118.709 118.709 116.597 2.112 17991 8857 1 15 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.330 0.496 17991 8858 1 15 . 1 1 138 138 HIS CA C 138 55.514 55.514 59.075 -3.561 17991 8859 1 15 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.704 -1.458 17991 8860 1 15 . 1 1 138 138 HIS H H 138 8.169 8.169 8.405 -0.236 17991 8861 1 15 . 1 1 139 139 ARG N N 139 123.025 123.025 119.224 3.801 17991 8862 1 15 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.160 0.406 17991 8863 1 15 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.310 -1.916 17991 8864 1 15 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.900 0.121 17991 8865 1 15 . 1 1 139 139 ARG H H 139 8.419 8.419 8.188 0.231 17991 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 121 2.032 0.373 2.005 17991 2 1 1 "Average Difference" HA 131 0.271 -0.065 0.264 17991 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17991 4 1 1 "Average Difference" CA 128 1.199 -0.245 1.178 17991 5 1 1 "Average Difference" CB 104 0.774 0.053 0.776 17991 6 1 1 "Average Difference" HN 123 0.429 -0.188 0.387 17991 7 1 2 "Average Difference" N 121 2.059 0.269 2.050 17991 8 1 2 "Average Difference" HA 131 0.245 -0.067 0.237 17991 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17991 10 1 2 "Average Difference" CA 128 1.133 -0.209 1.118 17991 11 1 2 "Average Difference" CB 104 0.841 0.079 0.841 17991 12 1 2 "Average Difference" HN 123 0.436 -0.215 0.380 17991 13 1 3 "Average Difference" N 121 1.935 0.255 1.926 17991 14 1 3 "Average Difference" HA 131 0.233 -0.041 0.231 17991 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17991 16 1 3 "Average Difference" CA 128 1.194 -0.293 1.162 17991 17 1 3 "Average Difference" CB 104 0.804 0.142 0.795 17991 18 1 3 "Average Difference" HN 123 0.432 -0.235 0.364 17991 19 1 4 "Average Difference" N 121 2.024 0.207 2.022 17991 20 1 4 "Average Difference" HA 131 0.281 -0.066 0.274 17991 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17991 22 1 4 "Average Difference" CA 128 1.134 -0.245 1.111 17991 23 1 4 "Average Difference" CB 104 0.769 0.021 0.772 17991 24 1 4 "Average Difference" HN 123 0.456 -0.230 0.396 17991 25 1 5 "Average Difference" N 121 1.977 0.280 1.965 17991 26 1 5 "Average Difference" HA 131 0.223 -0.037 0.220 17991 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17991 28 1 5 "Average Difference" CA 128 1.172 -0.391 1.110 17991 29 1 5 "Average Difference" CB 104 0.763 0.052 0.764 17991 30 1 5 "Average Difference" HN 123 0.463 -0.254 0.388 17991 31 1 6 "Average Difference" N 121 2.227 0.171 2.230 17991 32 1 6 "Average Difference" HA 131 0.239 -0.046 0.235 17991 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17991 34 1 6 "Average Difference" CA 128 1.191 -0.218 1.176 17991 35 1 6 "Average Difference" CB 104 0.779 0.092 0.777 17991 36 1 6 "Average Difference" HN 123 0.458 -0.237 0.394 17991 37 1 7 "Average Difference" N 121 2.167 0.283 2.158 17991 38 1 7 "Average Difference" HA 131 0.219 -0.064 0.210 17991 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17991 40 1 7 "Average Difference" CA 128 1.143 -0.231 1.124 17991 41 1 7 "Average Difference" CB 104 0.733 0.060 0.734 17991 42 1 7 "Average Difference" HN 123 0.438 -0.233 0.373 17991 43 1 8 "Average Difference" N 121 2.011 0.308 1.996 17991 44 1 8 "Average Difference" HA 131 0.235 -0.048 0.231 17991 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17991 46 1 8 "Average Difference" CA 128 1.147 -0.249 1.124 17991 47 1 8 "Average Difference" CB 104 0.760 0.034 0.763 17991 48 1 8 "Average Difference" HN 123 0.450 -0.234 0.385 17991 49 1 9 "Average Difference" N 121 1.998 0.280 1.987 17991 50 1 9 "Average Difference" HA 131 0.230 -0.043 0.227 17991 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17991 52 1 9 "Average Difference" CA 128 1.241 -0.223 1.225 17991 53 1 9 "Average Difference" CB 104 0.785 0.074 0.785 17991 54 1 9 "Average Difference" HN 123 0.423 -0.220 0.363 17991 55 1 10 "Average Difference" N 121 2.058 0.203 2.057 17991 56 1 10 "Average Difference" HA 131 0.233 -0.062 0.226 17991 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17991 58 1 10 "Average Difference" CA 128 1.101 -0.217 1.084 17991 59 1 10 "Average Difference" CB 104 0.762 0.064 0.763 17991 60 1 10 "Average Difference" HN 123 0.452 -0.229 0.392 17991 61 1 11 "Average Difference" N 121 2.121 0.374 2.096 17991 62 1 11 "Average Difference" HA 131 0.226 -0.034 0.224 17991 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17991 64 1 11 "Average Difference" CA 128 1.132 -0.214 1.116 17991 65 1 11 "Average Difference" CB 104 0.796 0.088 0.795 17991 66 1 11 "Average Difference" HN 123 0.439 -0.229 0.376 17991 67 1 12 "Average Difference" N 121 1.989 0.336 1.968 17991 68 1 12 "Average Difference" HA 131 0.237 -0.054 0.232 17991 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17991 70 1 12 "Average Difference" CA 128 1.172 -0.219 1.156 17991 71 1 12 "Average Difference" CB 104 0.773 0.078 0.772 17991 72 1 12 "Average Difference" HN 123 0.444 -0.226 0.384 17991 73 1 13 "Average Difference" N 121 2.161 0.182 2.162 17991 74 1 13 "Average Difference" HA 131 0.245 -0.052 0.241 17991 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17991 76 1 13 "Average Difference" CA 128 1.079 -0.276 1.047 17991 77 1 13 "Average Difference" CB 104 0.804 0.116 0.799 17991 78 1 13 "Average Difference" HN 123 0.454 -0.236 0.389 17991 79 1 14 "Average Difference" N 121 1.928 0.222 1.923 17991 80 1 14 "Average Difference" HA 131 0.243 -0.062 0.236 17991 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17991 82 1 14 "Average Difference" CA 128 1.110 -0.239 1.088 17991 83 1 14 "Average Difference" CB 104 0.759 0.043 0.762 17991 84 1 14 "Average Difference" HN 123 0.455 -0.238 0.390 17991 85 1 15 "Average Difference" N 121 2.043 0.188 2.043 17991 86 1 15 "Average Difference" HA 131 0.250 -0.049 0.246 17991 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17991 88 1 15 "Average Difference" CA 128 1.148 -0.249 1.125 17991 89 1 15 "Average Difference" CB 104 0.773 0.065 0.774 17991 90 1 15 "Average Difference" HN 123 0.444 -0.228 0.382 17991 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 17991 _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 8 8 HIS HA H 8 4.738 4.738 4.547 0.191 17991 2 1 . 1 1 8 8 HIS CA C 8 55.776 55.776 56.131 -0.355 17991 3 1 . 1 1 8 8 HIS CB C 8 29.344 29.344 29.422 -0.078 17991 4 1 . 1 1 8 8 HIS H H 8 8.686 8.686 8.224 0.462 17991 5 1 . 1 1 9 9 ALA N N 9 124.079 124.079 125.226 -1.147 17991 6 1 . 1 1 9 9 ALA HA H 9 4.387 4.387 4.382 0.005 17991 7 1 . 1 1 9 9 ALA CA C 9 53.287 53.287 52.899 0.388 17991 8 1 . 1 1 9 9 ALA CB C 9 19.175 19.175 20.134 -0.959 17991 9 1 . 1 1 9 9 ALA H H 9 8.457 8.457 8.346 0.111 17991 10 1 . 1 1 10 10 MET N N 10 120.430 120.430 119.198 1.232 17991 11 1 . 1 1 10 10 MET HA H 10 4.390 4.390 4.328 0.062 17991 12 1 . 1 1 10 10 MET CA C 10 57.753 57.753 58.249 -0.496 17991 13 1 . 1 1 10 10 MET CB C 10 32.355 32.355 32.913 -0.558 17991 14 1 . 1 1 10 10 MET H H 10 8.545 8.545 8.317 0.228 17991 15 1 . 1 1 11 11 VAL N N 11 119.159 119.159 115.338 3.821 17991 16 1 . 1 1 11 11 VAL HA H 11 4.016 4.016 4.040 -0.024 17991 17 1 . 1 1 11 11 VAL CA C 11 65.271 65.271 64.085 1.186 17991 18 1 . 1 1 11 11 VAL CB C 11 31.611 31.611 31.329 0.282 17991 19 1 . 1 1 11 11 VAL H H 11 8.339 8.339 8.033 0.306 17991 20 1 . 1 1 12 12 ILE N N 12 119.461 119.461 119.825 -0.364 17991 21 1 . 1 1 12 12 ILE HA H 12 3.953 3.953 4.050 -0.097 17991 22 1 . 1 1 12 12 ILE CA C 12 64.334 64.334 63.469 0.865 17991 23 1 . 1 1 12 12 ILE CB C 12 37.496 37.496 38.336 -0.840 17991 24 1 . 1 1 12 12 ILE H H 12 7.705 7.705 7.858 -0.153 17991 25 1 . 1 1 13 13 ASP N N 13 119.460 119.460 119.397 0.063 17991 26 1 . 1 1 13 13 ASP HA H 13 4.384 4.384 4.637 -0.253 17991 27 1 . 1 1 13 13 ASP CA C 13 57.524 57.524 56.029 1.495 17991 28 1 . 1 1 13 13 ASP CB C 13 39.412 39.412 41.116 -1.704 17991 29 1 . 1 1 13 13 ASP H H 13 8.172 8.172 7.812 0.360 17991 30 1 . 1 1 14 14 HIS N N 14 116.421 116.421 118.253 -1.832 17991 31 1 . 1 1 14 14 HIS HA H 14 4.540 4.540 4.501 0.039 17991 32 1 . 1 1 14 14 HIS CA C 14 58.748 58.748 58.847 -0.099 17991 33 1 . 1 1 14 14 HIS CB C 14 28.652 28.652 30.454 -1.802 17991 34 1 . 1 1 14 14 HIS H H 14 8.138 8.138 7.770 0.368 17991 35 1 . 1 1 15 15 ILE N N 15 119.970 119.970 119.729 0.241 17991 36 1 . 1 1 15 15 ILE HA H 15 3.808 3.808 3.839 -0.031 17991 37 1 . 1 1 15 15 ILE CA C 15 65.404 65.404 64.085 1.319 17991 38 1 . 1 1 15 15 ILE CB C 15 37.787 37.787 37.328 0.459 17991 39 1 . 1 1 15 15 ILE H H 15 8.224 8.224 7.676 0.548 17991 40 1 . 1 1 16 16 LEU N N 16 118.635 118.635 121.721 -3.086 17991 41 1 . 1 1 16 16 LEU HA H 16 3.992 3.992 3.183 0.809 17991 42 1 . 1 1 16 16 LEU CA C 16 58.786 58.786 58.474 0.312 17991 43 1 . 1 1 16 16 LEU H H 16 8.480 8.480 7.887 0.593 17991 44 1 . 1 1 17 17 LYS N N 17 118.257 118.257 117.854 0.403 17991 45 1 . 1 1 17 17 LYS HA H 17 4.094 4.094 4.018 0.076 17991 46 1 . 1 1 17 17 LYS CA C 17 59.882 59.882 59.138 0.744 17991 47 1 . 1 1 17 17 LYS CB C 17 32.216 32.216 31.807 0.409 17991 48 1 . 1 1 17 17 LYS H H 17 8.098 8.098 7.923 0.175 17991 49 1 . 1 1 18 18 CYS N N 18 117.220 117.220 118.065 -0.845 17991 50 1 . 1 1 18 18 CYS HA H 18 4.329 4.329 4.264 0.065 17991 51 1 . 1 1 18 18 CYS CA C 18 63.218 63.218 62.640 0.578 17991 52 1 . 1 1 18 18 CYS CB C 18 26.822 26.822 27.485 -0.663 17991 53 1 . 1 1 18 18 CYS H H 18 7.899 7.899 8.001 -0.102 17991 54 1 . 1 1 19 19 VAL N N 19 118.929 118.929 119.965 -1.036 17991 55 1 . 1 1 19 19 VAL HA H 19 3.725 3.725 3.976 -0.251 17991 56 1 . 1 1 19 19 VAL CA C 19 67.080 67.080 65.233 1.847 17991 57 1 . 1 1 19 19 VAL CB C 19 32.057 32.057 32.055 0.002 17991 58 1 . 1 1 19 19 VAL H H 19 8.352 8.352 7.500 0.852 17991 59 1 . 1 1 20 20 PHE N N 20 120.244 120.244 119.758 0.486 17991 60 1 . 1 1 20 20 PHE HA H 20 4.274 4.274 4.345 -0.071 17991 61 1 . 1 1 20 20 PHE CA C 20 61.626 61.626 59.747 1.879 17991 62 1 . 1 1 20 20 PHE CB C 20 39.080 39.080 39.026 0.054 17991 63 1 . 1 1 20 20 PHE H H 20 8.791 8.791 8.808 -0.017 17991 64 1 . 1 1 21 21 ASP N N 21 118.761 118.761 120.358 -1.597 17991 65 1 . 1 1 21 21 ASP HA H 21 4.363 4.363 4.405 -0.042 17991 66 1 . 1 1 21 21 ASP CA C 21 57.517 57.517 57.287 0.230 17991 67 1 . 1 1 21 21 ASP CB C 21 40.068 40.068 40.904 -0.836 17991 68 1 . 1 1 21 21 ASP H H 21 8.705 8.705 7.966 0.739 17991 69 1 . 1 1 22 22 LYS N N 22 118.200 118.200 119.704 -1.504 17991 70 1 . 1 1 22 22 LYS HA H 22 4.194 4.194 4.057 0.137 17991 71 1 . 1 1 22 22 LYS CA C 22 58.593 58.593 59.050 -0.457 17991 72 1 . 1 1 22 22 LYS CB C 22 32.299 32.299 32.367 -0.068 17991 73 1 . 1 1 22 22 LYS H H 22 7.810 7.810 7.538 0.272 17991 74 1 . 1 1 23 23 ILE N N 23 118.534 118.534 119.573 -1.039 17991 75 1 . 1 1 23 23 ILE HA H 23 3.781 3.781 3.621 0.160 17991 76 1 . 1 1 23 23 ILE CA C 23 65.096 65.096 64.860 0.236 17991 77 1 . 1 1 23 23 ILE H H 23 8.351 8.351 7.631 0.720 17991 78 1 . 1 1 24 24 CYS N N 24 117.155 117.155 115.531 1.624 17991 79 1 . 1 1 24 24 CYS HA H 24 4.049 4.049 4.220 -0.171 17991 80 1 . 1 1 24 24 CYS CA C 24 63.499 63.499 61.849 1.650 17991 81 1 . 1 1 24 24 CYS CB C 24 26.626 26.626 27.182 -0.556 17991 82 1 . 1 1 24 24 CYS H H 24 8.203 8.203 7.807 0.396 17991 83 1 . 1 1 25 25 LYS N N 25 119.995 119.995 121.973 -1.978 17991 84 1 . 1 1 25 25 LYS CA C 25 58.762 58.762 59.546 -0.784 17991 85 1 . 1 1 25 25 LYS CB C 25 32.385 32.385 32.366 0.019 17991 86 1 . 1 1 25 25 LYS H H 25 7.760 7.760 7.324 0.436 17991 87 1 . 1 1 26 26 ILE N N 26 119.168 119.168 116.765 2.403 17991 88 1 . 1 1 26 26 ILE HA H 26 3.974 3.974 3.958 0.016 17991 89 1 . 1 1 26 26 ILE CA C 26 64.106 64.106 62.659 1.447 17991 90 1 . 1 1 26 26 ILE CB C 26 37.556 37.556 37.889 -0.333 17991 91 1 . 1 1 26 26 ILE H H 26 8.055 8.055 7.885 0.170 17991 92 1 . 1 1 27 27 GLY N N 27 108.257 108.257 107.370 0.887 17991 93 1 . 1 1 27 27 GLY CA C 27 46.989 46.989 47.133 -0.144 17991 94 1 . 1 1 27 27 GLY H H 27 8.568 8.568 7.881 0.687 17991 95 1 . 1 1 28 28 THR N N 28 112.727 112.727 114.597 -1.870 17991 96 1 . 1 1 28 28 THR HA H 28 3.912 3.912 4.160 -0.248 17991 97 1 . 1 1 28 28 THR CA C 28 64.717 64.717 65.159 -0.442 17991 98 1 . 1 1 28 28 THR CB C 28 69.375 69.375 68.866 0.509 17991 99 1 . 1 1 28 28 THR H H 28 8.059 8.059 7.554 0.505 17991 100 1 . 1 1 29 29 GLU N N 29 120.068 120.068 121.212 -1.144 17991 101 1 . 1 1 29 29 GLU CA C 29 57.604 57.604 58.898 -1.294 17991 102 1 . 1 1 29 29 GLU CB C 29 29.093 29.093 29.142 -0.049 17991 103 1 . 1 1 29 29 GLU H H 29 8.113 8.113 7.834 0.279 17991 104 1 . 1 1 30 30 SER N N 30 114.882 114.882 115.040 -0.158 17991 105 1 . 1 1 30 30 SER HA H 30 4.374 4.374 4.113 0.261 17991 106 1 . 1 1 30 30 SER CA C 30 60.353 60.353 60.772 -0.419 17991 107 1 . 1 1 30 30 SER H H 30 8.060 8.060 7.599 0.461 17991 108 1 . 1 1 31 31 VAL N N 31 122.098 122.098 120.595 1.503 17991 109 1 . 1 1 31 31 VAL HA H 31 4.017 4.017 3.772 0.245 17991 110 1 . 1 1 31 31 VAL CA C 31 64.627 64.627 65.545 -0.919 17991 111 1 . 1 1 31 31 VAL CB C 31 31.985 31.985 31.354 0.632 17991 112 1 . 1 1 31 31 VAL H H 31 8.127 8.127 7.630 0.497 17991 113 1 . 1 1 32 32 GLU N N 32 120.280 120.280 120.195 0.085 17991 114 1 . 1 1 32 32 GLU HA H 32 4.318 4.318 4.135 0.183 17991 115 1 . 1 1 32 32 GLU CA C 32 57.887 57.887 59.171 -1.284 17991 116 1 . 1 1 32 32 GLU CB C 32 28.653 28.653 29.408 -0.755 17991 117 1 . 1 1 32 32 GLU H H 32 8.243 8.243 7.562 0.681 17991 118 1 . 1 1 33 33 ALA N N 33 121.715 121.715 121.448 0.267 17991 119 1 . 1 1 33 33 ALA HA H 33 4.189 4.189 4.023 0.166 17991 120 1 . 1 1 33 33 ALA CA C 33 54.724 54.724 54.475 0.249 17991 121 1 . 1 1 33 33 ALA CB C 33 18.728 18.728 17.954 0.774 17991 122 1 . 1 1 33 33 ALA H H 33 8.218 8.218 7.530 0.688 17991 123 1 . 1 1 34 34 GLY N N 34 104.656 104.656 105.648 -0.992 17991 124 1 . 1 1 34 34 GLY CA C 34 47.074 47.074 46.560 0.514 17991 125 1 . 1 1 34 34 GLY H H 34 8.308 8.308 7.923 0.385 17991 126 1 . 1 1 35 35 ARG N N 35 119.958 119.958 121.359 -1.401 17991 127 1 . 1 1 35 35 ARG HA H 35 4.276 4.276 4.327 -0.051 17991 128 1 . 1 1 35 35 ARG CA C 35 58.025 58.025 56.073 1.952 17991 129 1 . 1 1 35 35 ARG CB C 35 30.289 30.289 29.644 0.645 17991 130 1 . 1 1 35 35 ARG H H 35 7.975 7.975 7.525 0.450 17991 131 1 . 1 1 36 36 LEU N N 36 118.931 118.931 121.260 -2.329 17991 132 1 . 1 1 36 36 LEU HA H 36 4.224 4.224 4.139 0.085 17991 133 1 . 1 1 36 36 LEU CA C 36 57.803 57.803 57.934 -0.131 17991 134 1 . 1 1 36 36 LEU CB C 36 42.193 42.193 41.771 0.422 17991 135 1 . 1 1 36 36 LEU H H 36 7.958 7.958 8.539 -0.581 17991 136 1 . 1 1 37 37 ILE N N 37 118.087 118.087 119.005 -0.918 17991 137 1 . 1 1 37 37 ILE HA H 37 3.931 3.931 3.737 0.194 17991 138 1 . 1 1 37 37 ILE CA C 37 63.859 63.859 63.717 0.142 17991 139 1 . 1 1 37 37 ILE CB C 37 38.039 38.039 37.667 0.372 17991 140 1 . 1 1 37 37 ILE H H 37 7.904 7.904 7.762 0.142 17991 141 1 . 1 1 38 38 GLU N N 38 120.989 120.989 120.072 0.917 17991 142 1 . 1 1 38 38 GLU HA H 38 4.231 4.231 3.947 0.285 17991 143 1 . 1 1 38 38 GLU CA C 38 58.445 58.445 59.709 -1.264 17991 144 1 . 1 1 38 38 GLU CB C 38 29.011 29.011 29.426 -0.415 17991 145 1 . 1 1 38 38 GLU H H 38 8.041 8.041 7.536 0.505 17991 146 1 . 1 1 39 39 LEU N N 39 120.111 120.111 119.230 0.881 17991 147 1 . 1 1 39 39 LEU HA H 39 4.271 4.271 4.091 0.180 17991 148 1 . 1 1 39 39 LEU CA C 39 57.411 57.411 57.453 -0.041 17991 149 1 . 1 1 39 39 LEU CB C 39 42.295 42.295 41.077 1.218 17991 150 1 . 1 1 39 39 LEU H H 39 8.173 8.173 7.776 0.397 17991 151 1 . 1 1 40 40 SER N N 40 113.806 113.806 112.850 0.956 17991 152 1 . 1 1 40 40 SER HA H 40 4.312 4.312 4.198 0.114 17991 153 1 . 1 1 40 40 SER CA C 40 60.406 60.406 60.793 -0.387 17991 154 1 . 1 1 40 40 SER CB C 40 63.646 63.646 63.264 0.382 17991 155 1 . 1 1 40 40 SER H H 40 8.031 8.031 7.589 0.442 17991 156 1 . 1 1 41 41 GLN N N 41 120.139 120.139 118.459 1.680 17991 157 1 . 1 1 41 41 GLN HA H 41 4.396 4.396 4.191 0.205 17991 158 1 . 1 1 41 41 GLN CA C 41 56.601 56.601 57.818 -1.217 17991 159 1 . 1 1 41 41 GLN CB C 41 29.385 29.385 29.577 -0.192 17991 160 1 . 1 1 41 41 GLN H H 41 7.956 7.956 7.757 0.199 17991 161 1 . 1 1 42 42 GLU N N 42 119.728 119.728 115.523 4.205 17991 162 1 . 1 1 42 42 GLU HA H 42 4.373 4.373 4.361 0.012 17991 163 1 . 1 1 42 42 GLU CA C 42 57.089 57.089 56.795 0.294 17991 164 1 . 1 1 42 42 GLU CB C 42 29.355 29.355 31.003 -1.648 17991 165 1 . 1 1 42 42 GLU H H 42 8.114 8.114 8.343 -0.229 17991 166 1 . 1 1 43 43 GLY N N 43 108.655 108.655 108.826 -0.171 17991 167 1 . 1 1 43 43 GLY CA C 43 45.623 45.623 46.004 -0.381 17991 168 1 . 1 1 43 43 GLY H H 43 8.325 8.325 7.966 0.359 17991 169 1 . 1 1 44 44 GLY N N 44 107.872 107.872 106.972 0.900 17991 170 1 . 1 1 44 44 GLY CA C 44 45.487 45.487 44.048 1.439 17991 171 1 . 1 1 44 44 GLY H H 44 8.105 8.105 7.821 0.284 17991 172 1 . 1 1 48 48 GLY CA C 48 45.395 45.395 43.734 1.661 17991 173 1 . 1 1 49 49 PRO HA H 49 4.469 4.469 4.495 -0.026 17991 174 1 . 1 1 49 49 PRO CA C 49 65.430 65.430 64.368 1.062 17991 175 1 . 1 1 49 49 PRO CB C 49 32.321 32.321 31.958 0.363 17991 176 1 . 1 1 50 50 LEU N N 50 116.864 116.864 118.257 -1.393 17991 177 1 . 1 1 50 50 LEU HA H 50 4.202 4.202 4.311 -0.109 17991 178 1 . 1 1 50 50 LEU CA C 50 57.549 57.549 56.553 0.996 17991 179 1 . 1 1 50 50 LEU CB C 50 41.699 41.699 40.746 0.953 17991 180 1 . 1 1 50 50 LEU H H 50 8.336 8.336 8.103 0.233 17991 181 1 . 1 1 51 51 TYR N N 51 118.433 118.433 121.325 -2.892 17991 182 1 . 1 1 51 51 TYR HA H 51 4.165 4.165 4.160 0.005 17991 183 1 . 1 1 51 51 TYR CA C 51 61.034 61.034 61.019 0.015 17991 184 1 . 1 1 51 51 TYR CB C 51 38.484 38.484 38.165 0.319 17991 185 1 . 1 1 51 51 TYR H H 51 7.765 7.765 7.821 -0.056 17991 186 1 . 1 1 52 52 PHE N N 52 117.945 117.945 119.649 -1.704 17991 187 1 . 1 1 52 52 PHE HA H 52 4.260 4.260 3.696 0.564 17991 188 1 . 1 1 52 52 PHE CA C 52 61.251 61.251 61.124 0.127 17991 189 1 . 1 1 52 52 PHE CB C 52 39.319 39.319 39.110 0.209 17991 190 1 . 1 1 52 52 PHE H H 52 7.873 7.873 7.754 0.119 17991 191 1 . 1 1 53 53 VAL N N 53 117.468 117.468 118.311 -0.843 17991 192 1 . 1 1 53 53 VAL HA H 53 3.652 3.652 3.368 0.284 17991 193 1 . 1 1 53 53 VAL CA C 53 66.298 66.298 65.608 0.690 17991 194 1 . 1 1 53 53 VAL CB C 53 31.810 31.810 31.665 0.145 17991 195 1 . 1 1 53 53 VAL H H 53 7.864 7.864 7.463 0.401 17991 196 1 . 1 1 54 54 VAL N N 54 116.929 116.929 120.805 -3.876 17991 197 1 . 1 1 54 54 VAL HA H 54 3.702 3.702 3.682 0.020 17991 198 1 . 1 1 54 54 VAL CA C 54 66.067 66.067 66.271 -0.204 17991 199 1 . 1 1 54 54 VAL CB C 54 31.801 31.801 31.449 0.352 17991 200 1 . 1 1 54 54 VAL H H 54 7.958 7.958 8.192 -0.234 17991 201 1 . 1 1 55 55 ASN N N 55 115.543 115.543 116.962 -1.419 17991 202 1 . 1 1 55 55 ASN HA H 55 4.630 4.630 4.602 0.028 17991 203 1 . 1 1 55 55 ASN CA C 55 55.460 55.460 55.337 0.123 17991 204 1 . 1 1 55 55 ASN CB C 55 39.929 39.929 38.888 1.041 17991 205 1 . 1 1 55 55 ASN H H 55 7.823 7.823 7.949 -0.126 17991 206 1 . 1 1 56 56 VAL N N 56 116.125 116.125 118.483 -2.358 17991 207 1 . 1 1 56 56 VAL HA H 56 4.097 4.097 3.741 0.356 17991 208 1 . 1 1 56 56 VAL CA C 56 64.139 64.139 64.463 -0.324 17991 209 1 . 1 1 56 56 VAL CB C 56 32.003 32.003 32.157 -0.154 17991 210 1 . 1 1 56 56 VAL H H 56 7.664 7.664 7.349 0.315 17991 211 1 . 1 1 57 57 ILE N N 57 116.872 116.872 118.566 -1.694 17991 212 1 . 1 1 57 57 ILE HA H 57 4.009 4.009 3.805 0.204 17991 213 1 . 1 1 57 57 ILE CA C 57 63.550 63.550 62.837 0.713 17991 214 1 . 1 1 57 57 ILE CB C 57 37.763 37.763 36.855 0.908 17991 215 1 . 1 1 57 57 ILE H H 57 7.587 7.587 7.936 -0.349 17991 216 1 . 1 1 58 58 GLU N N 58 118.190 118.190 120.693 -2.503 17991 217 1 . 1 1 58 58 GLU HA H 58 4.199 4.199 4.106 0.093 17991 218 1 . 1 1 58 58 GLU CA C 58 60.305 60.305 61.822 -1.517 17991 219 1 . 1 1 58 58 GLU H H 58 8.114 8.114 7.709 0.405 17991 220 1 . 1 1 59 59 PRO HA H 59 4.509 4.509 4.351 0.158 17991 221 1 . 1 1 59 59 PRO CA C 59 65.562 65.562 65.050 0.512 17991 222 1 . 1 1 59 59 PRO CB C 59 31.466 31.466 31.251 0.215 17991 223 1 . 1 1 60 60 CYS N N 60 115.035 115.035 117.809 -2.774 17991 224 1 . 1 1 60 60 CYS HA H 60 4.268 4.268 4.132 0.136 17991 225 1 . 1 1 60 60 CYS CA C 60 62.113 62.113 63.027 -0.914 17991 226 1 . 1 1 60 60 CYS CB C 60 26.990 26.990 27.443 -0.453 17991 227 1 . 1 1 60 60 CYS H H 60 7.913 7.913 7.622 0.291 17991 228 1 . 1 1 61 61 LYS N N 61 121.184 121.184 120.371 0.813 17991 229 1 . 1 1 61 61 LYS HA H 61 4.272 4.272 3.984 0.288 17991 230 1 . 1 1 61 61 LYS CA C 61 59.089 59.089 59.878 -0.789 17991 231 1 . 1 1 61 61 LYS CB C 61 32.428 32.428 32.051 0.377 17991 232 1 . 1 1 61 61 LYS H H 61 8.197 8.197 8.054 0.143 17991 233 1 . 1 1 62 62 LYS N N 62 118.253 118.253 117.962 0.291 17991 234 1 . 1 1 62 62 LYS CA C 62 57.844 57.844 59.008 -1.164 17991 235 1 . 1 1 62 62 LYS CB C 62 32.090 32.090 32.260 -0.170 17991 236 1 . 1 1 62 62 LYS H H 62 7.982 7.982 7.920 0.062 17991 237 1 . 1 1 63 63 PHE N N 63 118.763 118.763 117.670 1.093 17991 238 1 . 1 1 63 63 PHE HA H 63 4.255 4.255 4.463 -0.208 17991 239 1 . 1 1 63 63 PHE CA C 63 60.534 60.534 59.581 0.953 17991 240 1 . 1 1 63 63 PHE CB C 63 39.150 39.150 39.410 -0.260 17991 241 1 . 1 1 63 63 PHE H H 63 8.155 8.155 7.578 0.577 17991 242 1 . 1 1 64 64 SER N N 64 114.881 114.881 116.523 -1.642 17991 243 1 . 1 1 64 64 SER HA H 64 4.268 4.268 3.847 0.421 17991 244 1 . 1 1 64 64 SER CA C 64 61.588 61.588 61.572 0.016 17991 245 1 . 1 1 64 64 SER CB C 64 63.175 63.175 62.889 0.286 17991 246 1 . 1 1 64 64 SER H H 64 8.218 8.218 7.999 0.219 17991 247 1 . 1 1 65 65 GLU N N 65 120.937 120.937 119.555 1.382 17991 248 1 . 1 1 65 65 GLU HA H 65 4.284 4.284 4.121 0.163 17991 249 1 . 1 1 65 65 GLU CA C 65 58.211 58.211 58.433 -0.223 17991 250 1 . 1 1 65 65 GLU CB C 65 28.962 28.962 29.655 -0.693 17991 251 1 . 1 1 65 65 GLU H H 65 8.067 8.067 7.768 0.299 17991 252 1 . 1 1 66 66 LEU N N 66 118.904 118.904 119.494 -0.590 17991 253 1 . 1 1 66 66 LEU HA H 66 4.263 4.263 4.066 0.197 17991 254 1 . 1 1 66 66 LEU CA C 66 57.222 57.222 57.316 -0.094 17991 255 1 . 1 1 66 66 LEU CB C 66 42.325 42.325 41.640 0.685 17991 256 1 . 1 1 66 66 LEU H H 66 8.003 8.003 7.529 0.474 17991 257 1 . 1 1 67 67 THR N N 67 108.190 108.190 112.523 -4.333 17991 258 1 . 1 1 67 67 THR HA H 67 4.043 4.043 4.042 0.001 17991 259 1 . 1 1 67 67 THR CA C 67 64.579 64.579 65.637 -1.058 17991 260 1 . 1 1 67 67 THR CB C 67 69.410 69.410 68.233 1.177 17991 261 1 . 1 1 67 67 THR H H 67 7.783 7.783 7.431 0.352 17991 262 1 . 1 1 68 68 GLY N N 68 108.141 108.141 107.701 0.440 17991 263 1 . 1 1 68 68 GLY CA C 68 46.244 46.244 45.353 0.891 17991 264 1 . 1 1 68 68 GLY H H 68 7.964 7.964 7.477 0.487 17991 265 1 . 1 1 69 69 LEU N N 69 120.124 120.124 121.187 -1.063 17991 266 1 . 1 1 69 69 LEU HA H 69 4.352 4.352 4.649 -0.297 17991 267 1 . 1 1 69 69 LEU CA C 69 56.486 56.486 55.746 0.740 17991 268 1 . 1 1 69 69 LEU CB C 69 42.374 42.374 42.618 -0.244 17991 269 1 . 1 1 69 69 LEU H H 69 7.749 7.749 7.533 0.216 17991 270 1 . 1 1 70 70 VAL N N 70 115.546 115.546 118.123 -2.577 17991 271 1 . 1 1 70 70 VAL HA H 70 3.935 3.935 3.870 0.064 17991 272 1 . 1 1 70 70 VAL CA C 70 63.630 63.630 64.879 -1.249 17991 273 1 . 1 1 70 70 VAL CB C 70 32.264 32.264 32.249 0.015 17991 274 1 . 1 1 70 70 VAL H H 70 7.607 7.607 7.547 0.060 17991 275 1 . 1 1 71 71 PHE N N 71 119.035 119.035 115.871 3.164 17991 276 1 . 1 1 71 71 PHE HA H 71 4.558 4.558 4.489 0.069 17991 277 1 . 1 1 71 71 PHE CA C 71 58.547 58.547 59.150 -0.603 17991 278 1 . 1 1 71 71 PHE CB C 71 39.300 39.300 39.850 -0.551 17991 279 1 . 1 1 71 71 PHE H H 71 7.618 7.618 7.867 -0.249 17991 280 1 . 1 1 72 72 TYR N N 72 118.365 118.365 118.694 -0.329 17991 281 1 . 1 1 72 72 TYR HA H 72 4.579 4.579 4.584 -0.005 17991 282 1 . 1 1 72 72 TYR CA C 72 58.097 58.097 59.214 -1.117 17991 283 1 . 1 1 72 72 TYR CB C 72 39.244 39.244 40.968 -1.724 17991 284 1 . 1 1 72 72 TYR H H 72 7.740 7.740 7.747 -0.007 17991 285 1 . 1 1 73 73 LEU N N 73 121.184 121.184 120.952 0.232 17991 286 1 . 1 1 73 73 LEU HA H 73 4.575 4.575 4.715 -0.140 17991 287 1 . 1 1 73 73 LEU CA C 73 53.549 53.549 51.892 1.656 17991 288 1 . 1 1 73 73 LEU CB C 73 42.081 42.081 43.601 -1.520 17991 289 1 . 1 1 73 73 LEU H H 73 7.713 7.713 7.696 0.017 17991 290 1 . 1 1 74 74 PRO HA H 74 4.638 4.638 4.631 0.007 17991 291 1 . 1 1 74 74 PRO CA C 74 63.204 63.204 62.556 0.647 17991 292 1 . 1 1 74 74 PRO CB C 74 31.681 31.681 32.390 -0.709 17991 293 1 . 1 1 75 75 THR N N 75 113.231 113.231 115.399 -2.168 17991 294 1 . 1 1 75 75 THR HA H 75 4.339 4.339 4.277 0.062 17991 295 1 . 1 1 75 75 THR CA C 75 62.684 62.684 63.345 -0.661 17991 296 1 . 1 1 75 75 THR H H 75 8.217 8.217 8.341 -0.124 17991 297 1 . 1 1 76 76 ASP N N 76 120.892 120.892 117.431 3.461 17991 298 1 . 1 1 76 76 ASP HA H 76 4.790 4.790 4.598 0.192 17991 299 1 . 1 1 76 76 ASP CA C 76 54.239 54.239 53.499 0.740 17991 300 1 . 1 1 76 76 ASP CB C 76 40.315 40.315 42.134 -1.819 17991 301 1 . 1 1 76 76 ASP H H 76 8.406 8.406 7.461 0.945 17991 302 1 . 1 1 77 77 SER N N 77 115.861 115.861 114.672 1.189 17991 303 1 . 1 1 77 77 SER HA H 77 4.345 4.345 4.194 0.151 17991 304 1 . 1 1 77 77 SER CA C 77 60.528 60.528 59.846 0.682 17991 305 1 . 1 1 77 77 SER CB C 77 63.812 63.812 63.530 0.282 17991 306 1 . 1 1 77 77 SER H H 77 8.238 8.238 8.460 -0.222 17991 307 1 . 1 1 78 78 GLY N N 78 110.440 110.440 106.625 3.815 17991 308 1 . 1 1 78 78 GLY CA C 78 46.653 46.653 45.120 1.533 17991 309 1 . 1 1 78 78 GLY H H 78 8.570 8.570 7.718 0.852 17991 310 1 . 1 1 79 79 GLU N N 79 121.242 121.242 121.561 -0.319 17991 311 1 . 1 1 79 79 GLU HA H 79 4.320 4.320 4.187 0.133 17991 312 1 . 1 1 79 79 GLU CA C 79 58.018 58.018 59.141 -1.123 17991 313 1 . 1 1 79 79 GLU CB C 79 29.082 29.082 29.721 -0.639 17991 314 1 . 1 1 79 79 GLU H H 79 8.237 8.237 8.410 -0.173 17991 315 1 . 1 1 80 80 LYS N N 80 119.708 119.708 118.532 1.176 17991 316 1 . 1 1 80 80 LYS HA H 80 4.319 4.319 4.220 0.099 17991 317 1 . 1 1 80 80 LYS CA C 80 57.881 57.881 58.345 -0.464 17991 318 1 . 1 1 80 80 LYS CB C 80 32.746 32.746 32.045 0.701 17991 319 1 . 1 1 80 80 LYS H H 80 8.252 8.252 8.410 -0.158 17991 320 1 . 1 1 81 81 MET N N 81 119.849 119.849 117.641 2.208 17991 321 1 . 1 1 81 81 MET HA H 81 4.367 4.367 4.348 0.019 17991 322 1 . 1 1 81 81 MET CA C 81 57.845 57.845 59.351 -1.506 17991 323 1 . 1 1 81 81 MET CB C 81 32.658 32.658 32.203 0.455 17991 324 1 . 1 1 81 81 MET H H 81 8.419 8.419 7.888 0.531 17991 325 1 . 1 1 82 82 THR N N 82 114.947 114.947 114.042 0.905 17991 326 1 . 1 1 82 82 THR HA H 82 4.132 4.132 3.953 0.179 17991 327 1 . 1 1 82 82 THR CA C 82 65.377 65.377 66.587 -1.210 17991 328 1 . 1 1 82 82 THR CB C 82 69.035 69.035 68.484 0.551 17991 329 1 . 1 1 82 82 THR H H 82 8.115 8.115 7.965 0.150 17991 330 1 . 1 1 83 83 GLU N N 83 121.416 121.416 118.837 2.579 17991 331 1 . 1 1 83 83 GLU HA H 83 4.373 4.373 4.303 0.070 17991 332 1 . 1 1 83 83 GLU CA C 83 58.064 58.064 58.439 -0.375 17991 333 1 . 1 1 83 83 GLU CB C 83 28.942 28.942 29.655 -0.713 17991 334 1 . 1 1 83 83 GLU H H 83 8.336 8.336 7.932 0.404 17991 335 1 . 1 1 84 84 SER N N 84 115.783 115.783 114.445 1.338 17991 336 1 . 1 1 84 84 SER HA H 84 4.278 4.278 4.535 -0.257 17991 337 1 . 1 1 84 84 SER CA C 84 61.685 61.685 60.799 0.886 17991 338 1 . 1 1 84 84 SER H H 84 8.191 8.191 7.944 0.247 17991 339 1 . 1 1 85 85 LYS N N 85 121.318 121.318 121.505 -0.187 17991 340 1 . 1 1 85 85 LYS HA H 85 4.085 4.085 4.198 -0.113 17991 341 1 . 1 1 85 85 LYS CA C 85 59.788 59.788 58.939 0.849 17991 342 1 . 1 1 85 85 LYS CB C 85 32.430 32.430 32.661 -0.231 17991 343 1 . 1 1 85 85 LYS H H 85 8.113 8.113 8.158 -0.045 17991 344 1 . 1 1 86 86 SER N N 86 115.042 115.042 115.489 -0.447 17991 345 1 . 1 1 86 86 SER HA H 86 4.389 4.389 4.251 0.138 17991 346 1 . 1 1 86 86 SER CA C 86 61.437 61.437 61.177 0.260 17991 347 1 . 1 1 86 86 SER CB C 86 63.116 63.116 62.820 0.296 17991 348 1 . 1 1 86 86 SER H H 86 8.066 8.066 7.759 0.307 17991 349 1 . 1 1 87 87 VAL N N 87 122.920 122.920 121.163 1.757 17991 350 1 . 1 1 87 87 VAL HA H 87 4.380 4.380 3.826 0.554 17991 351 1 . 1 1 87 87 VAL CA C 87 66.123 66.123 65.443 0.680 17991 352 1 . 1 1 87 87 VAL CB C 87 31.379 31.379 31.566 -0.187 17991 353 1 . 1 1 87 87 VAL H H 87 8.103 8.103 7.683 0.420 17991 354 1 . 1 1 88 88 LEU N N 88 119.501 119.501 119.328 0.173 17991 355 1 . 1 1 88 88 LEU HA H 88 4.122 4.122 3.969 0.153 17991 356 1 . 1 1 88 88 LEU CA C 88 57.906 57.906 57.331 0.575 17991 357 1 . 1 1 88 88 LEU CB C 88 41.944 41.944 41.474 0.470 17991 358 1 . 1 1 88 88 LEU H H 88 8.146 8.146 7.655 0.491 17991 359 1 . 1 1 89 89 LYS N N 89 120.285 120.285 118.882 1.403 17991 360 1 . 1 1 89 89 LYS HA H 89 4.095 4.095 4.072 0.023 17991 361 1 . 1 1 89 89 LYS CA C 89 59.887 59.887 59.143 0.744 17991 362 1 . 1 1 89 89 LYS CB C 89 32.226 32.226 32.424 -0.198 17991 363 1 . 1 1 89 89 LYS H H 89 8.245 8.245 7.628 0.617 17991 364 1 . 1 1 90 90 SER N N 90 115.131 115.131 114.225 0.906 17991 365 1 . 1 1 90 90 SER HA H 90 4.362 4.362 4.353 0.009 17991 366 1 . 1 1 90 90 SER CA C 90 61.815 61.815 60.247 1.568 17991 367 1 . 1 1 90 90 SER H H 90 8.037 8.037 7.895 0.142 17991 368 1 . 1 1 91 91 LEU N N 91 120.855 120.855 121.853 -0.998 17991 369 1 . 1 1 91 91 LEU HA H 91 4.148 4.148 4.211 -0.063 17991 370 1 . 1 1 91 91 LEU CA C 91 58.413 58.413 57.477 0.936 17991 371 1 . 1 1 91 91 LEU CB C 91 42.175 42.175 41.785 0.390 17991 372 1 . 1 1 91 91 LEU H H 91 8.445 8.445 7.432 1.013 17991 373 1 . 1 1 92 92 THR N N 92 112.933 112.933 115.331 -2.398 17991 374 1 . 1 1 92 92 THR HA H 92 3.904 3.904 3.891 0.013 17991 375 1 . 1 1 92 92 THR CA C 92 67.390 67.390 66.763 0.627 17991 376 1 . 1 1 92 92 THR CB C 92 69.367 69.367 68.301 1.066 17991 377 1 . 1 1 92 92 THR H H 92 8.383 8.383 7.637 0.746 17991 378 1 . 1 1 93 93 GLU N N 93 120.387 120.387 120.414 -0.027 17991 379 1 . 1 1 93 93 GLU CA C 93 59.487 59.487 59.601 -0.114 17991 380 1 . 1 1 93 93 GLU CB C 93 29.145 29.145 29.421 -0.276 17991 381 1 . 1 1 93 93 GLU H H 93 7.971 7.971 8.208 -0.237 17991 382 1 . 1 1 94 94 LYS N N 94 118.470 118.470 117.719 0.751 17991 383 1 . 1 1 94 94 LYS HA H 94 4.166 4.166 4.163 0.003 17991 384 1 . 1 1 94 94 LYS CA C 94 59.046 59.046 58.001 1.045 17991 385 1 . 1 1 94 94 LYS CB C 94 32.347 32.347 32.451 -0.104 17991 386 1 . 1 1 94 94 LYS H H 94 7.804 7.804 7.932 -0.128 17991 387 1 . 1 1 95 95 LEU N N 95 118.397 118.397 120.051 -1.654 17991 388 1 . 1 1 95 95 LEU HA H 95 4.159 4.159 4.368 -0.209 17991 389 1 . 1 1 95 95 LEU CA C 95 57.877 57.877 56.992 0.885 17991 390 1 . 1 1 95 95 LEU CB C 95 41.949 41.949 42.269 -0.320 17991 391 1 . 1 1 95 95 LEU H H 95 8.256 8.256 7.729 0.527 17991 392 1 . 1 1 96 96 LYS N N 96 117.747 117.747 119.118 -1.371 17991 393 1 . 1 1 96 96 LYS HA H 96 3.940 3.940 4.009 -0.069 17991 394 1 . 1 1 96 96 LYS CA C 96 60.282 60.282 59.576 0.706 17991 395 1 . 1 1 96 96 LYS CB C 96 32.349 32.349 32.013 0.336 17991 396 1 . 1 1 96 96 LYS H H 96 8.105 8.105 8.635 -0.530 17991 397 1 . 1 1 97 97 LYS N N 97 116.451 116.451 119.480 -3.029 17991 398 1 . 1 1 97 97 LYS HA H 97 4.167 4.167 4.202 -0.035 17991 399 1 . 1 1 97 97 LYS CA C 97 58.543 58.543 57.312 1.231 17991 400 1 . 1 1 97 97 LYS CB C 97 32.151 32.151 32.028 0.123 17991 401 1 . 1 1 97 97 LYS H H 97 7.520 7.520 7.678 -0.158 17991 402 1 . 1 1 98 98 ILE N N 98 117.587 117.587 122.641 -5.054 17991 403 1 . 1 1 98 98 ILE HA H 98 3.930 3.930 3.815 0.115 17991 404 1 . 1 1 98 98 ILE CA C 98 64.299 64.299 63.930 0.369 17991 405 1 . 1 1 98 98 ILE CB C 98 37.749 37.749 38.044 -0.295 17991 406 1 . 1 1 98 98 ILE H H 98 7.782 7.782 8.002 -0.220 17991 407 1 . 1 1 99 99 VAL N N 99 116.989 116.989 119.987 -2.998 17991 408 1 . 1 1 99 99 VAL HA H 99 3.825 3.825 3.698 0.127 17991 409 1 . 1 1 99 99 VAL CA C 99 65.963 65.963 65.423 0.540 17991 410 1 . 1 1 99 99 VAL CB C 99 31.482 31.482 31.676 -0.194 17991 411 1 . 1 1 99 99 VAL H H 99 7.917 7.917 7.551 0.366 17991 412 1 . 1 1 100 100 GLU N N 100 116.782 116.782 119.046 -2.264 17991 413 1 . 1 1 100 100 GLU HA H 100 4.213 4.213 4.201 0.012 17991 414 1 . 1 1 100 100 GLU CA C 100 57.974 57.974 58.080 -0.106 17991 415 1 . 1 1 100 100 GLU CB C 100 28.923 28.923 30.365 -1.442 17991 416 1 . 1 1 100 100 GLU H H 100 7.702 7.702 8.243 -0.541 17991 417 1 . 1 1 101 101 LEU N N 101 118.218 118.218 119.664 -1.446 17991 418 1 . 1 1 101 101 LEU HA H 101 4.155 4.155 4.380 -0.225 17991 419 1 . 1 1 101 101 LEU CA C 101 55.736 55.736 56.365 -0.629 17991 420 1 . 1 1 101 101 LEU CB C 101 43.039 43.039 44.426 -1.387 17991 421 1 . 1 1 101 101 LEU H H 101 7.751 7.751 7.739 0.012 17991 422 1 . 1 1 102 102 ILE N N 102 119.412 119.412 117.104 2.308 17991 423 1 . 1 1 102 102 ILE HA H 102 3.727 3.727 4.496 -0.769 17991 424 1 . 1 1 102 102 ILE CA C 102 61.809 61.809 58.939 2.870 17991 425 1 . 1 1 102 102 ILE H H 102 7.559 7.559 8.297 -0.738 17991 426 1 . 1 1 103 103 PRO HA H 103 4.587 4.587 4.385 0.202 17991 427 1 . 1 1 103 103 PRO CA C 103 64.289 64.289 64.306 -0.017 17991 428 1 . 1 1 103 103 PRO CB C 103 31.886 31.886 31.892 -0.006 17991 429 1 . 1 1 104 104 SER N N 104 112.794 112.794 113.608 -0.814 17991 430 1 . 1 1 104 104 SER HA H 104 4.571 4.571 4.301 0.270 17991 431 1 . 1 1 104 104 SER CA C 104 59.286 59.286 60.670 -1.383 17991 432 1 . 1 1 104 104 SER CB C 104 63.849 63.849 62.810 1.039 17991 433 1 . 1 1 104 104 SER H H 104 8.100 8.100 8.450 -0.350 17991 434 1 . 1 1 105 105 THR N N 105 114.655 114.655 113.854 0.801 17991 435 1 . 1 1 105 105 THR HA H 105 4.318 4.318 4.413 -0.095 17991 436 1 . 1 1 105 105 THR CA C 105 64.056 64.056 63.767 0.289 17991 437 1 . 1 1 105 105 THR CB C 105 69.861 69.861 69.063 0.798 17991 438 1 . 1 1 105 105 THR H H 105 8.186 8.186 7.619 0.567 17991 439 1 . 1 1 106 106 SER N N 106 116.165 116.165 118.159 -1.994 17991 440 1 . 1 1 106 106 SER HA H 106 4.344 4.344 4.146 0.198 17991 441 1 . 1 1 106 106 SER CA C 106 60.864 60.864 61.397 -0.533 17991 442 1 . 1 1 106 106 SER CB C 106 63.462 63.462 62.679 0.783 17991 443 1 . 1 1 106 106 SER H H 106 8.200 8.200 8.014 0.186 17991 444 1 . 1 1 107 107 SER N N 107 116.732 116.732 117.948 -1.216 17991 445 1 . 1 1 107 107 SER HA H 107 4.413 4.413 4.254 0.159 17991 446 1 . 1 1 107 107 SER CA C 107 60.051 60.051 60.925 -0.874 17991 447 1 . 1 1 107 107 SER CB C 107 63.921 63.921 63.066 0.855 17991 448 1 . 1 1 107 107 SER H H 107 8.114 8.114 8.003 0.111 17991 449 1 . 1 1 108 108 ALA N N 108 122.523 122.523 122.567 -0.044 17991 450 1 . 1 1 108 108 ALA HA H 108 4.434 4.434 4.378 0.056 17991 451 1 . 1 1 108 108 ALA CA C 108 53.482 53.482 53.530 -0.048 17991 452 1 . 1 1 108 108 ALA CB C 108 19.331 19.331 18.834 0.497 17991 453 1 . 1 1 108 108 ALA H H 108 8.022 8.022 7.930 0.092 17991 454 1 . 1 1 109 109 VAL N N 109 117.146 117.146 121.296 -4.150 17991 455 1 . 1 1 109 109 VAL HA H 109 3.788 3.788 3.745 0.043 17991 456 1 . 1 1 109 109 VAL CA C 109 66.835 66.835 68.466 -1.631 17991 457 1 . 1 1 109 109 VAL H H 109 7.829 7.829 8.363 -0.534 17991 458 1 . 1 1 110 110 PRO HA H 110 4.480 4.480 4.336 0.144 17991 459 1 . 1 1 110 110 PRO CA C 110 65.445 65.445 64.976 0.469 17991 460 1 . 1 1 110 110 PRO CB C 110 31.379 31.379 31.210 0.169 17991 461 1 . 1 1 111 111 LEU N N 111 117.393 117.393 118.735 -1.342 17991 462 1 . 1 1 111 111 LEU HA H 111 4.213 4.213 4.305 -0.092 17991 463 1 . 1 1 111 111 LEU CA C 111 57.782 57.782 56.734 1.048 17991 464 1 . 1 1 111 111 LEU CB C 111 42.448 42.448 42.341 0.107 17991 465 1 . 1 1 111 111 LEU H H 111 7.538 7.538 7.568 -0.030 17991 466 1 . 1 1 112 112 ILE N N 112 117.001 117.001 119.196 -2.195 17991 467 1 . 1 1 112 112 ILE HA H 112 4.001 4.001 4.094 -0.093 17991 468 1 . 1 1 112 112 ILE CA C 112 64.626 64.626 63.141 1.486 17991 469 1 . 1 1 112 112 ILE H H 112 8.118 8.118 8.775 -0.657 17991 470 1 . 1 1 113 113 GLY N N 113 106.840 106.840 108.881 -2.041 17991 471 1 . 1 1 113 113 GLY CA C 113 47.772 47.772 47.222 0.550 17991 472 1 . 1 1 113 113 GLY H H 113 8.409 8.409 8.548 -0.139 17991 473 1 . 1 1 114 114 LYS N N 114 120.736 120.736 121.601 -0.865 17991 474 1 . 1 1 114 114 LYS HA H 114 4.120 4.120 3.960 0.160 17991 475 1 . 1 1 114 114 LYS CA C 114 59.138 59.138 58.858 0.280 17991 476 1 . 1 1 114 114 LYS H H 114 7.847 7.847 7.462 0.385 17991 477 1 . 1 1 115 115 TYR N N 115 117.055 117.055 117.652 -0.597 17991 478 1 . 1 1 115 115 TYR HA H 115 4.272 4.272 4.617 -0.345 17991 479 1 . 1 1 115 115 TYR CA C 115 60.430 60.430 59.797 0.633 17991 480 1 . 1 1 115 115 TYR H H 115 7.891 7.891 7.875 0.016 17991 481 1 . 1 1 116 116 MET H H 116 8.170 8.170 7.746 0.424 17991 482 1 . 1 1 117 117 LEU N N 117 117.768 117.768 118.260 -0.492 17991 483 1 . 1 1 117 117 LEU HA H 117 3.909 3.909 4.021 -0.112 17991 484 1 . 1 1 117 117 LEU CA C 117 58.594 58.594 57.577 1.017 17991 485 1 . 1 1 117 117 LEU CB C 117 41.336 41.336 41.472 -0.136 17991 486 1 . 1 1 117 117 LEU H H 117 7.781 7.781 7.682 0.099 17991 487 1 . 1 1 118 118 PHE N N 118 118.204 118.204 119.497 -1.293 17991 488 1 . 1 1 118 118 PHE HA H 118 4.428 4.428 4.150 0.278 17991 489 1 . 1 1 118 118 PHE CA C 118 60.735 60.735 61.700 -0.965 17991 490 1 . 1 1 118 118 PHE H H 118 8.024 8.024 7.722 0.302 17991 491 1 . 1 1 119 119 THR N N 119 114.941 114.941 114.336 0.605 17991 492 1 . 1 1 119 119 THR HA H 119 3.972 3.972 4.082 -0.110 17991 493 1 . 1 1 119 119 THR CA C 119 67.518 67.518 66.659 0.859 17991 494 1 . 1 1 119 119 THR CB C 119 69.194 69.194 68.631 0.563 17991 495 1 . 1 1 119 119 THR H H 119 8.171 8.171 8.032 0.139 17991 496 1 . 1 1 120 120 LYS N N 120 121.758 121.758 121.294 0.464 17991 497 1 . 1 1 120 120 LYS HA H 120 3.980 3.980 4.011 -0.031 17991 498 1 . 1 1 120 120 LYS CA C 120 60.810 60.810 59.655 1.155 17991 499 1 . 1 1 120 120 LYS CB C 120 32.515 32.515 32.268 0.247 17991 500 1 . 1 1 120 120 LYS H H 120 8.359 8.359 7.776 0.583 17991 501 1 . 1 1 121 121 GLU N N 121 117.504 117.504 116.995 0.509 17991 502 1 . 1 1 121 121 GLU HA H 121 4.214 4.214 4.220 -0.006 17991 503 1 . 1 1 121 121 GLU CA C 121 59.240 59.240 58.154 1.086 17991 504 1 . 1 1 121 121 GLU CB C 121 28.383 28.383 30.005 -1.622 17991 505 1 . 1 1 121 121 GLU H H 121 8.222 8.222 7.777 0.445 17991 506 1 . 1 1 122 122 PHE N N 122 121.586 121.586 120.097 1.489 17991 507 1 . 1 1 122 122 PHE HA H 122 4.294 4.294 4.463 -0.169 17991 508 1 . 1 1 122 122 PHE CA C 122 61.574 61.574 60.469 1.105 17991 509 1 . 1 1 122 122 PHE CB C 122 39.359 39.359 40.213 -0.854 17991 510 1 . 1 1 122 122 PHE H H 122 8.562 8.562 7.947 0.616 17991 511 1 . 1 1 123 123 VAL N N 123 121.558 121.558 120.379 1.179 17991 512 1 . 1 1 123 123 VAL HA H 123 3.516 3.516 3.708 -0.192 17991 513 1 . 1 1 123 123 VAL CA C 123 67.608 67.608 66.386 1.222 17991 514 1 . 1 1 123 123 VAL CB C 123 31.461 31.461 31.282 0.179 17991 515 1 . 1 1 123 123 VAL H H 123 8.784 8.784 8.545 0.239 17991 516 1 . 1 1 124 124 GLU N N 124 118.314 118.314 119.898 -1.584 17991 517 1 . 1 1 124 124 GLU HA H 124 4.042 4.042 4.027 0.015 17991 518 1 . 1 1 124 124 GLU CA C 124 60.207 60.207 59.161 1.046 17991 519 1 . 1 1 124 124 GLU CB C 124 28.425 28.425 29.014 -0.589 17991 520 1 . 1 1 124 124 GLU H H 124 8.564 8.564 8.248 0.316 17991 521 1 . 1 1 125 125 SER N N 125 114.779 114.779 115.361 -0.582 17991 522 1 . 1 1 125 125 SER HA H 125 4.265 4.265 4.091 0.174 17991 523 1 . 1 1 125 125 SER CA C 125 62.342 62.342 61.443 0.899 17991 524 1 . 1 1 125 125 SER CB C 125 63.162 63.162 62.702 0.460 17991 525 1 . 1 1 125 125 SER H H 125 8.348 8.348 8.185 0.163 17991 526 1 . 1 1 126 126 SER N N 126 118.464 118.464 117.630 0.834 17991 527 1 . 1 1 126 126 SER HA H 126 4.069 4.069 4.339 -0.270 17991 528 1 . 1 1 126 126 SER CA C 126 62.846 62.846 61.885 0.961 17991 529 1 . 1 1 126 126 SER H H 126 8.144 8.144 7.828 0.316 17991 530 1 . 1 1 127 127 ILE N N 127 124.705 124.705 119.543 5.162 17991 531 1 . 1 1 127 127 ILE HA H 127 3.681 3.681 4.116 -0.435 17991 532 1 . 1 1 127 127 ILE CA C 127 65.641 65.641 63.318 2.323 17991 533 1 . 1 1 127 127 ILE CB C 127 38.034 38.034 37.801 0.233 17991 534 1 . 1 1 127 127 ILE H H 127 8.280 8.280 7.585 0.695 17991 535 1 . 1 1 128 128 LYS N N 128 119.907 119.907 121.019 -1.112 17991 536 1 . 1 1 128 128 LYS CA C 128 59.885 59.885 59.352 0.533 17991 537 1 . 1 1 128 128 LYS CB C 128 32.248 32.248 32.314 -0.066 17991 538 1 . 1 1 128 128 LYS H H 128 7.741 7.741 7.623 0.118 17991 539 1 . 1 1 129 129 ILE N N 129 118.807 118.807 117.602 1.205 17991 540 1 . 1 1 129 129 ILE HA H 129 4.107 4.107 3.851 0.256 17991 541 1 . 1 1 129 129 ILE CA C 129 64.392 64.392 64.720 -0.328 17991 542 1 . 1 1 129 129 ILE CB C 129 38.050 38.050 38.391 -0.341 17991 543 1 . 1 1 129 129 ILE H H 129 8.215 8.215 7.940 0.275 17991 544 1 . 1 1 130 130 THR N N 130 117.328 117.328 113.607 3.721 17991 545 1 . 1 1 130 130 THR HA H 130 3.921 3.921 3.883 0.038 17991 546 1 . 1 1 130 130 THR CA C 130 68.210 68.210 65.654 2.556 17991 547 1 . 1 1 130 130 THR H H 130 7.988 7.988 7.809 0.179 17991 548 1 . 1 1 131 131 GLU N N 131 118.968 118.968 121.577 -2.609 17991 549 1 . 1 1 131 131 GLU HA H 131 3.978 3.978 4.028 -0.050 17991 550 1 . 1 1 131 131 GLU CA C 131 59.600 59.600 58.993 0.607 17991 551 1 . 1 1 131 131 GLU H H 131 8.439 8.439 7.906 0.533 17991 552 1 . 1 1 132 132 GLU N N 132 118.712 118.712 118.181 0.531 17991 553 1 . 1 1 132 132 GLU HA H 132 4.226 4.226 4.242 -0.016 17991 554 1 . 1 1 132 132 GLU CA C 132 59.267 59.267 58.236 1.031 17991 555 1 . 1 1 132 132 GLU CB C 132 28.619 28.619 30.088 -1.469 17991 556 1 . 1 1 132 132 GLU H H 132 7.987 7.987 7.734 0.253 17991 557 1 . 1 1 133 133 VAL N N 133 120.060 120.060 120.533 -0.473 17991 558 1 . 1 1 133 133 VAL HA H 133 3.867 3.867 3.918 -0.051 17991 559 1 . 1 1 133 133 VAL CA C 133 66.330 66.330 64.219 2.111 17991 560 1 . 1 1 133 133 VAL CB C 133 32.156 32.156 32.010 0.146 17991 561 1 . 1 1 133 133 VAL H H 133 8.341 8.341 7.784 0.557 17991 562 1 . 1 1 134 134 ILE N N 134 119.699 119.699 119.115 0.584 17991 563 1 . 1 1 134 134 ILE HA H 134 3.860 3.860 3.895 -0.035 17991 564 1 . 1 1 134 134 ILE CA C 134 65.184 65.184 63.316 1.868 17991 565 1 . 1 1 134 134 ILE CB C 134 37.902 37.902 37.509 0.393 17991 566 1 . 1 1 134 134 ILE H H 134 8.331 8.331 7.795 0.536 17991 567 1 . 1 1 135 135 ASN N N 135 117.396 117.396 117.197 0.199 17991 568 1 . 1 1 135 135 ASN HA H 135 4.675 4.675 4.510 0.165 17991 569 1 . 1 1 135 135 ASN CA C 135 55.505 55.505 55.932 -0.427 17991 570 1 . 1 1 135 135 ASN CB C 135 39.127 39.127 38.494 0.633 17991 571 1 . 1 1 135 135 ASN H H 135 8.318 8.318 8.102 0.216 17991 572 1 . 1 1 136 136 THR N N 136 111.419 111.419 113.609 -2.190 17991 573 1 . 1 1 136 136 THR HA H 136 4.308 4.308 4.333 -0.025 17991 574 1 . 1 1 136 136 THR CA C 136 63.872 63.872 65.477 -1.605 17991 575 1 . 1 1 136 136 THR CB C 136 69.779 69.779 69.129 0.650 17991 576 1 . 1 1 136 136 THR H H 136 8.006 8.006 7.705 0.301 17991 577 1 . 1 1 137 137 HIS N N 137 118.612 118.612 121.510 -2.898 17991 578 1 . 1 1 137 137 HIS HA H 137 4.703 4.703 4.335 0.368 17991 579 1 . 1 1 137 137 HIS CA C 137 56.460 56.460 59.456 -2.996 17991 580 1 . 1 1 137 137 HIS CB C 137 28.712 28.712 29.942 -1.230 17991 581 1 . 1 1 137 137 HIS H H 137 8.013 8.013 7.892 0.121 17991 582 1 . 1 1 138 138 HIS N N 138 118.709 118.709 117.237 1.472 17991 583 1 . 1 1 138 138 HIS HA H 138 4.826 4.826 4.354 0.472 17991 584 1 . 1 1 138 138 HIS CA C 138 55.514 55.514 58.236 -2.722 17991 585 1 . 1 1 138 138 HIS CB C 138 29.246 29.246 30.460 -1.214 17991 586 1 . 1 1 138 138 HIS H H 138 8.169 8.169 8.192 -0.023 17991 587 1 . 1 1 139 139 ARG N N 139 123.025 123.025 119.167 3.858 17991 588 1 . 1 1 139 139 ARG HA H 139 4.566 4.566 4.109 0.457 17991 589 1 . 1 1 139 139 ARG CA C 139 56.394 56.394 58.025 -1.631 17991 590 1 . 1 1 139 139 ARG CB C 139 31.021 31.021 30.762 0.259 17991 591 1 . 1 1 139 139 ARG H H 139 8.419 8.419 8.104 0.315 17991 stop_ save_