data_17811 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17811 _Entry.PDB_ID 2LGJ 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 17811 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 125.183 125.183 123.844 1.339 17811 2 1 1 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.197 -0.020 17811 3 1 1 . 1 1 2 2 ALA C C 2 174.029 174.029 176.329 -2.300 17811 4 1 1 . 1 1 2 2 ALA CA C 2 51.859 51.859 52.320 -0.461 17811 5 1 1 . 1 1 2 2 ALA CB C 2 19.596 19.596 18.468 1.128 17811 6 1 1 . 1 1 2 2 ALA H H 2 8.096 8.096 8.258 -0.162 17811 7 1 1 . 1 1 3 3 GLU N N 3 113.075 113.075 121.454 -8.379 17811 8 1 1 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.532 -0.333 17811 9 1 1 . 1 1 3 3 GLU C C 3 175.812 175.812 174.267 1.545 17811 10 1 1 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.334 0.169 17811 11 1 1 . 1 1 3 3 GLU CB C 3 31.584 31.584 30.010 1.574 17811 12 1 1 . 1 1 3 3 GLU H H 3 7.483 7.483 8.408 -0.925 17811 13 1 1 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.670 0.105 17811 14 1 1 . 1 1 4 4 PRO C C 4 174.213 174.213 176.391 -2.178 17811 15 1 1 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.624 -0.353 17811 16 1 1 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.958 2.571 17811 17 1 1 . 1 1 5 5 LEU N N 5 120.181 120.181 123.391 -3.210 17811 18 1 1 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.376 -0.076 17811 19 1 1 . 1 1 5 5 LEU C C 5 174.926 174.926 176.745 -1.819 17811 20 1 1 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.832 0.356 17811 21 1 1 . 1 1 5 5 LEU CB C 5 45.694 45.694 42.446 3.248 17811 22 1 1 . 1 1 5 5 LEU H H 5 7.953 7.953 8.169 -0.216 17811 23 1 1 . 1 1 6 6 LEU N N 6 124.663 124.663 124.339 0.324 17811 24 1 1 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.872 0.415 17811 25 1 1 . 1 1 6 6 LEU C C 6 173.293 173.293 175.470 -2.177 17811 26 1 1 . 1 1 6 6 LEU CA C 6 52.887 52.887 54.092 -1.205 17811 27 1 1 . 1 1 6 6 LEU CB C 6 45.694 45.694 43.029 2.665 17811 28 1 1 . 1 1 6 6 LEU H H 6 8.456 8.456 8.656 -0.200 17811 29 1 1 . 1 1 7 7 VAL N N 7 128.364 128.364 128.245 0.119 17811 30 1 1 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.536 0.463 17811 31 1 1 . 1 1 7 7 VAL C C 7 174.006 174.006 174.681 -0.675 17811 32 1 1 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.399 -1.046 17811 33 1 1 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.992 -0.294 17811 34 1 1 . 1 1 7 7 VAL H H 7 9.456 9.456 9.125 0.331 17811 35 1 1 . 1 1 8 8 VAL N N 8 126.000 126.000 128.717 -2.717 17811 36 1 1 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.907 0.147 17811 37 1 1 . 1 1 8 8 VAL C C 8 175.433 175.433 175.399 0.034 17811 38 1 1 . 1 1 8 8 VAL CA C 8 59.737 59.737 61.036 -1.299 17811 39 1 1 . 1 1 8 8 VAL CB C 8 35.556 35.556 32.680 2.876 17811 40 1 1 . 1 1 8 8 VAL H H 8 9.571 9.571 9.075 0.496 17811 41 1 1 . 1 1 9 9 GLY N N 9 112.757 112.757 115.463 -2.706 17811 42 1 1 . 1 1 9 9 GLY C C 9 171.378 171.378 172.869 -1.491 17811 43 1 1 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.492 1.312 17811 44 1 1 . 1 1 9 9 GLY H H 9 8.692 8.692 9.065 -0.373 17811 45 1 1 . 1 1 10 10 LEU N N 10 119.466 119.466 126.361 -6.895 17811 46 1 1 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.498 0.235 17811 47 1 1 . 1 1 10 10 LEU C C 10 175.715 175.715 175.842 -0.127 17811 48 1 1 . 1 1 10 10 LEU CA C 10 54.188 54.188 54.485 -0.297 17811 49 1 1 . 1 1 10 10 LEU CB C 10 42.543 42.543 42.297 0.246 17811 50 1 1 . 1 1 10 10 LEU H H 10 7.147 7.147 8.045 -0.898 17811 51 1 1 . 1 1 11 11 GLY N N 11 109.192 109.192 112.402 -3.210 17811 52 1 1 . 1 1 11 11 GLY C C 11 170.233 170.233 172.595 -2.362 17811 53 1 1 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.694 -0.301 17811 54 1 1 . 1 1 11 11 GLY H H 11 7.281 7.281 8.187 -0.906 17811 55 1 1 . 1 1 12 12 ASN N N 12 115.701 115.701 119.947 -4.246 17811 56 1 1 . 1 1 12 12 ASN HA H 12 4.762 4.762 5.117 -0.355 17811 57 1 1 . 1 1 12 12 ASN C C 12 173.746 173.746 172.972 0.774 17811 58 1 1 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.698 -0.757 17811 59 1 1 . 1 1 12 12 ASN CB C 12 41.516 41.516 40.627 0.889 17811 60 1 1 . 1 1 12 12 ASN H H 12 8.946 8.946 8.131 0.815 17811 61 1 1 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.345 0.070 17811 62 1 1 . 1 1 13 13 PRO C C 13 177.498 177.498 175.549 1.949 17811 63 1 1 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.788 -0.534 17811 64 1 1 . 1 1 13 13 PRO CB C 13 31.926 31.926 31.396 0.530 17811 65 1 1 . 1 1 14 14 GLY N N 14 108.978 108.978 111.425 -2.447 17811 66 1 1 . 1 1 14 14 GLY C C 14 174.878 174.878 173.247 1.631 17811 67 1 1 . 1 1 14 14 GLY CA C 14 47.133 47.133 43.888 3.245 17811 68 1 1 . 1 1 14 14 GLY H H 14 8.464 8.464 7.574 0.890 17811 69 1 1 . 1 1 16 16 THR HA H 16 4.265 4.265 4.478 -0.213 17811 70 1 1 . 1 1 16 16 THR C C 16 175.848 175.848 175.826 0.022 17811 71 1 1 . 1 1 16 16 THR CA C 16 65.148 65.148 63.361 1.787 17811 72 1 1 . 1 1 16 16 THR CB C 16 68.505 68.505 69.124 -0.619 17811 73 1 1 . 1 1 17 17 TYR N N 17 117.133 117.133 121.882 -4.749 17811 74 1 1 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.617 0.039 17811 75 1 1 . 1 1 17 17 TYR C C 17 177.649 177.649 176.911 0.738 17811 76 1 1 . 1 1 17 17 TYR CA C 17 58.367 58.367 59.728 -1.361 17811 77 1 1 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.396 1.928 17811 78 1 1 . 1 1 17 17 TYR H H 17 7.025 7.025 8.260 -1.235 17811 79 1 1 . 1 1 18 18 ALA N N 18 122.126 122.126 120.335 1.791 17811 80 1 1 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.476 -0.122 17811 81 1 1 . 1 1 18 18 ALA C C 18 178.212 178.212 177.495 0.717 17811 82 1 1 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.382 2.245 17811 83 1 1 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.354 1.585 17811 84 1 1 . 1 1 18 18 ALA H H 18 7.100 7.100 7.937 -0.837 17811 85 1 1 . 1 1 19 19 LYS N N 19 115.311 115.311 117.630 -2.319 17811 86 1 1 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.639 0.044 17811 87 1 1 . 1 1 19 19 LYS C C 19 175.640 175.640 176.670 -1.030 17811 88 1 1 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.335 -0.393 17811 89 1 1 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.734 -0.671 17811 90 1 1 . 1 1 19 19 LYS H H 19 8.648 8.648 7.600 1.048 17811 91 1 1 . 1 1 20 20 THR N N 20 108.478 108.478 109.981 -1.503 17811 92 1 1 . 1 1 20 20 THR HA H 20 4.392 4.392 4.683 -0.291 17811 93 1 1 . 1 1 20 20 THR C C 20 175.752 175.752 175.309 0.443 17811 94 1 1 . 1 1 20 20 THR CA C 20 60.970 60.970 59.572 1.399 17811 95 1 1 . 1 1 20 20 THR CB C 20 72.932 72.932 71.120 1.812 17811 96 1 1 . 1 1 20 20 THR H H 20 7.349 7.349 7.825 -0.476 17811 97 1 1 . 1 1 21 21 ARG N N 21 117.638 117.638 118.948 -1.310 17811 98 1 1 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.387 -0.681 17811 99 1 1 . 1 1 21 21 ARG C C 21 177.480 177.480 177.313 0.167 17811 100 1 1 . 1 1 21 21 ARG CA C 21 60.083 60.083 56.080 4.003 17811 101 1 1 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.769 0.188 17811 102 1 1 . 1 1 21 21 ARG H H 21 7.011 7.011 8.910 -1.899 17811 103 1 1 . 1 1 22 22 HIS N N 22 115.074 115.074 117.624 -2.550 17811 104 1 1 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.895 -1.034 17811 105 1 1 . 1 1 22 22 HIS C C 22 173.274 173.274 174.889 -1.615 17811 106 1 1 . 1 1 22 22 HIS CA C 22 53.434 53.434 56.441 -3.007 17811 107 1 1 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.561 -0.101 17811 108 1 1 . 1 1 22 22 HIS H H 22 8.162 8.162 7.805 0.357 17811 109 1 1 . 1 1 23 23 ASN N N 23 116.439 116.439 118.197 -1.758 17811 110 1 1 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.808 -0.023 17811 111 1 1 . 1 1 23 23 ASN C C 23 177.104 177.104 174.943 2.161 17811 112 1 1 . 1 1 23 23 ASN CA C 23 53.024 53.024 53.166 -0.142 17811 113 1 1 . 1 1 23 23 ASN CB C 23 38.776 38.776 38.202 0.574 17811 114 1 1 . 1 1 23 23 ASN H H 23 7.730 7.730 7.835 -0.105 17811 115 1 1 . 1 1 24 24 LEU N N 24 123.226 123.226 121.545 1.681 17811 116 1 1 . 1 1 24 24 LEU HA H 24 4.346 4.346 3.753 0.593 17811 117 1 1 . 1 1 24 24 LEU C C 24 178.681 178.681 178.420 0.261 17811 118 1 1 . 1 1 24 24 LEU CA C 24 59.531 59.531 59.083 0.448 17811 119 1 1 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.909 3.073 17811 120 1 1 . 1 1 24 24 LEU H H 24 7.939 7.939 7.584 0.355 17811 121 1 1 . 1 1 25 25 GLY N N 25 104.146 104.146 106.957 -2.811 17811 122 1 1 . 1 1 25 25 GLY C C 25 176.635 176.635 175.891 0.744 17811 123 1 1 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.599 1.041 17811 124 1 1 . 1 1 25 25 GLY H H 25 9.209 9.209 8.430 0.779 17811 125 1 1 . 1 1 26 26 PHE N N 26 123.654 123.654 118.407 5.247 17811 126 1 1 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.497 -0.377 17811 127 1 1 . 1 1 26 26 PHE C C 26 177.498 177.498 177.000 0.498 17811 128 1 1 . 1 1 26 26 PHE CA C 26 58.778 58.778 59.074 -0.296 17811 129 1 1 . 1 1 26 26 PHE CB C 26 37.269 37.269 38.380 -1.111 17811 130 1 1 . 1 1 26 26 PHE H H 26 7.089 7.089 7.261 -0.172 17811 131 1 1 . 1 1 27 27 MET N N 27 117.508 117.508 119.640 -2.132 17811 132 1 1 . 1 1 27 27 MET HA H 27 4.257 4.257 4.090 0.167 17811 133 1 1 . 1 1 27 27 MET C C 27 179.977 179.977 178.465 1.512 17811 134 1 1 . 1 1 27 27 MET CA C 27 59.839 59.839 57.588 2.251 17811 135 1 1 . 1 1 27 27 MET CB C 27 33.377 33.377 31.428 1.949 17811 136 1 1 . 1 1 27 27 MET H H 27 8.061 8.061 7.324 0.737 17811 137 1 1 . 1 1 28 28 VAL N N 28 119.068 119.068 118.698 0.370 17811 138 1 1 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.776 -0.154 17811 139 1 1 . 1 1 28 28 VAL C C 28 177.818 177.818 177.474 0.344 17811 140 1 1 . 1 1 28 28 VAL CA C 28 65.970 65.970 65.766 0.204 17811 141 1 1 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.240 0.823 17811 142 1 1 . 1 1 28 28 VAL H H 28 8.325 8.325 8.258 0.067 17811 143 1 1 . 1 1 29 29 ALA N N 29 123.327 123.327 121.538 1.789 17811 144 1 1 . 1 1 29 29 ALA HA H 29 4.028 4.028 4.048 -0.020 17811 145 1 1 . 1 1 29 29 ALA C C 29 178.831 178.831 179.232 -0.401 17811 146 1 1 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.233 0.805 17811 147 1 1 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.057 -0.584 17811 148 1 1 . 1 1 29 29 ALA H H 29 8.647 8.647 7.710 0.937 17811 149 1 1 . 1 1 30 30 ASP N N 30 118.148 118.148 118.852 -0.704 17811 150 1 1 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.701 -0.022 17811 151 1 1 . 1 1 30 30 ASP C C 30 180.089 180.089 178.295 1.794 17811 152 1 1 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.955 0.206 17811 153 1 1 . 1 1 30 30 ASP CB C 30 39.666 39.666 41.112 -1.446 17811 154 1 1 . 1 1 30 30 ASP H H 30 8.574 8.574 7.870 0.704 17811 155 1 1 . 1 1 31 31 VAL N N 31 123.410 123.410 116.583 6.827 17811 156 1 1 . 1 1 31 31 VAL HA H 31 3.795 3.795 4.000 -0.205 17811 157 1 1 . 1 1 31 31 VAL C C 31 180.070 180.070 177.980 2.090 17811 158 1 1 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.499 1.225 17811 159 1 1 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.362 0.222 17811 160 1 1 . 1 1 31 31 VAL H H 31 7.482 7.482 7.565 -0.083 17811 161 1 1 . 1 1 32 32 LEU N N 32 121.772 121.772 118.627 3.145 17811 162 1 1 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.379 -0.513 17811 163 1 1 . 1 1 32 32 LEU C C 32 178.249 178.249 178.677 -0.428 17811 164 1 1 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.677 0.690 17811 165 1 1 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.260 2.009 17811 166 1 1 . 1 1 32 32 LEU H H 32 8.785 8.785 7.423 1.362 17811 167 1 1 . 1 1 33 33 ALA N N 33 122.901 122.901 122.094 0.807 17811 168 1 1 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.093 -0.483 17811 169 1 1 . 1 1 33 33 ALA C C 33 179.808 179.808 179.676 0.132 17811 170 1 1 . 1 1 33 33 ALA CA C 33 55.832 55.832 55.021 0.811 17811 171 1 1 . 1 1 33 33 ALA CB C 33 18.569 18.569 17.957 0.612 17811 172 1 1 . 1 1 33 33 ALA H H 33 8.711 8.711 8.514 0.197 17811 173 1 1 . 1 1 34 34 GLY N N 34 105.309 105.309 105.774 -0.465 17811 174 1 1 . 1 1 34 34 GLY C C 34 176.184 176.184 175.947 0.237 17811 175 1 1 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.654 0.136 17811 176 1 1 . 1 1 34 34 GLY H H 34 7.665 7.665 8.008 -0.343 17811 177 1 1 . 1 1 35 35 ARG N N 35 121.117 121.117 118.883 2.234 17811 178 1 1 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.212 -0.097 17811 179 1 1 . 1 1 35 35 ARG C C 35 178.812 178.812 177.733 1.079 17811 180 1 1 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.724 1.670 17811 181 1 1 . 1 1 35 35 ARG CB C 35 29.666 29.666 30.241 -0.575 17811 182 1 1 . 1 1 35 35 ARG H H 35 7.623 7.623 7.298 0.325 17811 183 1 1 . 1 1 36 36 ILE N N 36 120.413 120.413 118.450 1.963 17811 184 1 1 . 1 1 36 36 ILE HA H 36 3.722 3.722 3.984 -0.262 17811 185 1 1 . 1 1 36 36 ILE C C 36 177.142 177.142 176.288 0.854 17811 186 1 1 . 1 1 36 36 ILE CA C 36 64.600 64.600 60.779 3.821 17811 187 1 1 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.476 0.300 17811 188 1 1 . 1 1 36 36 ILE H H 36 7.950 7.950 7.560 0.390 17811 189 1 1 . 1 1 37 37 GLY N N 37 107.419 107.419 109.248 -1.829 17811 190 1 1 . 1 1 37 37 GLY C C 37 174.307 174.307 173.990 0.317 17811 191 1 1 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.917 0.503 17811 192 1 1 . 1 1 37 37 GLY H H 37 8.305 8.305 7.607 0.698 17811 193 1 1 . 1 1 38 38 SER N N 38 113.320 113.320 116.618 -3.298 17811 194 1 1 . 1 1 38 38 SER HA H 38 4.683 4.683 4.730 -0.047 17811 195 1 1 . 1 1 38 38 SER C C 38 171.472 171.472 172.746 -1.274 17811 196 1 1 . 1 1 38 38 SER CA C 38 56.654 56.654 57.632 -0.978 17811 197 1 1 . 1 1 38 38 SER CB C 38 66.244 66.244 65.857 0.387 17811 198 1 1 . 1 1 38 38 SER H H 38 7.101 7.101 7.809 -0.708 17811 199 1 1 . 1 1 39 39 ALA N N 39 123.838 123.838 126.596 -2.758 17811 200 1 1 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.600 -0.198 17811 201 1 1 . 1 1 39 39 ALA C C 39 177.708 177.708 176.171 1.537 17811 202 1 1 . 1 1 39 39 ALA CA C 39 50.695 50.695 50.722 -0.027 17811 203 1 1 . 1 1 39 39 ALA CB C 39 20.624 20.624 21.286 -0.662 17811 204 1 1 . 1 1 39 39 ALA H H 39 8.032 8.032 8.359 -0.327 17811 205 1 1 . 1 1 40 40 PHE N N 40 118.117 118.117 120.115 -1.998 17811 206 1 1 . 1 1 40 40 PHE HA H 40 4.039 4.039 4.836 -0.797 17811 207 1 1 . 1 1 40 40 PHE C C 40 176.672 176.672 176.331 0.341 17811 208 1 1 . 1 1 40 40 PHE CA C 40 59.942 59.942 58.246 1.696 17811 209 1 1 . 1 1 40 40 PHE CB C 40 40.694 40.694 40.579 0.115 17811 210 1 1 . 1 1 40 40 PHE H H 40 8.066 8.066 8.662 -0.596 17811 211 1 1 . 1 1 41 41 LYS N N 41 120.915 120.915 124.244 -3.329 17811 212 1 1 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.781 -0.019 17811 213 1 1 . 1 1 41 41 LYS C C 41 176.034 176.034 175.228 0.806 17811 214 1 1 . 1 1 41 41 LYS CA C 41 54.736 54.736 55.145 -0.409 17811 215 1 1 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.357 1.953 17811 216 1 1 . 1 1 41 41 LYS H H 41 8.593 8.593 9.087 -0.494 17811 217 1 1 . 1 1 42 42 VAL N N 42 123.504 123.504 124.516 -1.012 17811 218 1 1 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.935 -1.103 17811 219 1 1 . 1 1 42 42 VAL C C 42 175.377 175.377 176.047 -0.670 17811 220 1 1 . 1 1 42 42 VAL CA C 42 64.874 64.874 62.025 2.849 17811 221 1 1 . 1 1 42 42 VAL CB C 42 31.926 31.926 32.045 -0.120 17811 222 1 1 . 1 1 42 42 VAL H H 42 8.707 8.707 8.696 0.011 17811 223 1 1 . 1 1 43 43 HIS N N 43 132.195 132.195 129.656 2.539 17811 224 1 1 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.792 -0.267 17811 225 1 1 . 1 1 43 43 HIS C C 43 175.104 175.104 173.863 1.241 17811 226 1 1 . 1 1 43 43 HIS CA C 43 56.106 56.106 53.756 2.350 17811 227 1 1 . 1 1 43 43 HIS CB C 43 31.721 31.721 29.632 2.089 17811 228 1 1 . 1 1 43 43 HIS H H 43 9.354 9.354 8.617 0.737 17811 229 1 1 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.295 -0.355 17811 230 1 1 . 1 1 45 45 LYS C C 45 177.001 177.001 176.078 0.923 17811 231 1 1 . 1 1 45 45 LYS CA C 45 58.367 58.367 57.116 1.251 17811 232 1 1 . 1 1 45 45 LYS CB C 45 32.200 32.200 32.427 -0.227 17811 233 1 1 . 1 1 46 46 SER N N 46 111.577 111.577 114.194 -2.617 17811 234 1 1 . 1 1 46 46 SER HA H 46 4.414 4.414 4.813 -0.399 17811 235 1 1 . 1 1 46 46 SER C C 46 174.926 174.926 175.271 -0.345 17811 236 1 1 . 1 1 46 46 SER CA C 46 60.011 60.011 59.304 0.707 17811 237 1 1 . 1 1 46 46 SER CB C 46 65.354 65.354 64.794 0.560 17811 238 1 1 . 1 1 46 46 SER H H 46 7.746 7.746 8.688 -0.942 17811 239 1 1 . 1 1 47 47 GLY N N 47 112.402 112.402 109.347 3.055 17811 240 1 1 . 1 1 47 47 GLY C C 47 173.180 173.180 174.169 -0.989 17811 241 1 1 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.341 0.874 17811 242 1 1 . 1 1 47 47 GLY H H 47 8.692 8.692 7.798 0.894 17811 243 1 1 . 1 1 48 48 ALA N N 48 120.322 120.322 124.127 -3.805 17811 244 1 1 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.095 0.321 17811 245 1 1 . 1 1 48 48 ALA C C 48 175.621 175.621 177.287 -1.666 17811 246 1 1 . 1 1 48 48 ALA CA C 48 51.585 51.585 54.350 -2.765 17811 247 1 1 . 1 1 48 48 ALA CB C 48 19.802 19.802 19.064 0.738 17811 248 1 1 . 1 1 48 48 ALA H H 48 7.740 7.740 8.402 -0.662 17811 249 1 1 . 1 1 49 49 GLU N N 49 116.907 116.907 117.045 -0.138 17811 250 1 1 . 1 1 49 49 GLU HA H 49 4.926 4.926 5.312 -0.386 17811 251 1 1 . 1 1 49 49 GLU C C 49 176.184 176.184 174.986 1.198 17811 252 1 1 . 1 1 49 49 GLU CA C 49 55.558 55.558 54.947 0.611 17811 253 1 1 . 1 1 49 49 GLU CB C 49 31.858 31.858 32.460 -0.602 17811 254 1 1 . 1 1 49 49 GLU H H 49 8.262 8.262 7.653 0.609 17811 255 1 1 . 1 1 50 50 VAL N N 50 117.403 117.403 120.085 -2.682 17811 256 1 1 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.430 0.410 17811 257 1 1 . 1 1 50 50 VAL C C 50 176.053 176.053 173.370 2.683 17811 258 1 1 . 1 1 50 50 VAL CA C 50 60.011 60.011 59.668 0.343 17811 259 1 1 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.328 2.763 17811 260 1 1 . 1 1 50 50 VAL H H 50 9.223 9.223 9.206 0.017 17811 261 1 1 . 1 1 51 51 VAL N N 51 125.278 125.278 125.440 -0.162 17811 262 1 1 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.511 -0.360 17811 263 1 1 . 1 1 51 51 VAL C C 51 173.706 173.706 174.001 -0.295 17811 264 1 1 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.061 1.388 17811 265 1 1 . 1 1 51 51 VAL CB C 51 35.899 35.899 36.069 -0.170 17811 266 1 1 . 1 1 51 51 VAL H H 51 9.266 9.266 9.076 0.190 17811 267 1 1 . 1 1 52 52 THR N N 52 115.674 115.674 121.801 -6.127 17811 268 1 1 . 1 1 52 52 THR HA H 52 5.168 5.168 5.251 -0.083 17811 269 1 1 . 1 1 52 52 THR C C 52 173.669 173.669 174.066 -0.397 17811 270 1 1 . 1 1 52 52 THR CA C 52 58.709 58.709 59.991 -1.282 17811 271 1 1 . 1 1 52 52 THR CB C 52 70.628 70.628 69.019 1.609 17811 272 1 1 . 1 1 52 52 THR H H 52 8.243 8.243 8.496 -0.253 17811 273 1 1 . 1 1 53 53 GLY N N 53 108.122 108.122 111.031 -2.909 17811 274 1 1 . 1 1 53 53 GLY C C 53 170.721 170.721 172.213 -1.492 17811 275 1 1 . 1 1 53 53 GLY CA C 53 45.489 45.489 43.709 1.780 17811 276 1 1 . 1 1 53 53 GLY H H 53 7.908 7.908 8.259 -0.351 17811 277 1 1 . 1 1 54 54 ARG N N 54 120.750 120.750 121.388 -0.638 17811 278 1 1 . 1 1 54 54 ARG HA H 54 5.105 5.105 5.122 -0.017 17811 279 1 1 . 1 1 54 54 ARG C C 54 175.095 175.095 174.952 0.143 17811 280 1 1 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.111 -0.102 17811 281 1 1 . 1 1 54 54 ARG CB C 54 32.474 32.474 30.596 1.877 17811 282 1 1 . 1 1 54 54 ARG H H 54 8.379 8.379 8.493 -0.114 17811 283 1 1 . 1 1 55 55 LEU N N 55 123.787 123.787 120.916 2.871 17811 284 1 1 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.740 -0.313 17811 285 1 1 . 1 1 55 55 LEU C C 55 175.058 175.058 177.550 -2.492 17811 286 1 1 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.529 0.043 17811 287 1 1 . 1 1 55 55 LEU CB C 55 45.968 45.968 42.449 3.519 17811 288 1 1 . 1 1 55 55 LEU H H 55 8.777 8.777 7.906 0.871 17811 289 1 1 . 1 1 56 56 ALA N N 56 127.548 127.548 125.333 2.215 17811 290 1 1 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.934 -0.004 17811 291 1 1 . 1 1 56 56 ALA C C 56 177.855 177.855 177.640 0.215 17811 292 1 1 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.807 -0.715 17811 293 1 1 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.971 -0.361 17811 294 1 1 . 1 1 56 56 ALA H H 56 9.275 9.275 9.018 0.257 17811 295 1 1 . 1 1 57 57 GLY N N 57 103.215 103.215 105.925 -2.710 17811 296 1 1 . 1 1 57 57 GLY C C 57 174.157 174.157 174.577 -0.420 17811 297 1 1 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.008 0.686 17811 298 1 1 . 1 1 57 57 GLY H H 57 8.507 8.507 8.393 0.114 17811 299 1 1 . 1 1 58 58 THR N N 58 119.802 119.802 119.184 0.618 17811 300 1 1 . 1 1 58 58 THR HA H 58 4.411 4.411 4.513 -0.102 17811 301 1 1 . 1 1 58 58 THR C C 58 172.711 172.711 174.017 -1.306 17811 302 1 1 . 1 1 58 58 THR CA C 58 62.134 62.134 62.077 0.057 17811 303 1 1 . 1 1 58 58 THR CB C 58 71.313 71.313 69.738 1.575 17811 304 1 1 . 1 1 58 58 THR H H 58 8.017 8.017 7.803 0.214 17811 305 1 1 . 1 1 59 59 SER N N 59 122.901 122.901 121.398 1.503 17811 306 1 1 . 1 1 59 59 SER HA H 59 4.492 4.492 4.759 -0.267 17811 307 1 1 . 1 1 59 59 SER C C 59 173.537 173.537 174.065 -0.528 17811 308 1 1 . 1 1 59 59 SER CA C 59 59.600 59.600 57.893 1.707 17811 309 1 1 . 1 1 59 59 SER CB C 59 63.367 63.367 63.474 -0.107 17811 310 1 1 . 1 1 59 59 SER H H 59 9.013 9.013 8.696 0.317 17811 311 1 1 . 1 1 60 60 VAL N N 60 119.354 119.354 123.292 -3.938 17811 312 1 1 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.552 0.508 17811 313 1 1 . 1 1 60 60 VAL C C 60 174.926 174.926 173.710 1.216 17811 314 1 1 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.684 -0.358 17811 315 1 1 . 1 1 60 60 VAL CB C 60 36.378 36.378 34.504 1.874 17811 316 1 1 . 1 1 60 60 VAL H H 60 8.836 8.836 9.106 -0.270 17811 317 1 1 . 1 1 61 61 VAL N N 61 124.480 124.480 120.312 4.168 17811 318 1 1 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.385 -0.220 17811 319 1 1 . 1 1 61 61 VAL C C 61 173.218 173.218 174.961 -1.743 17811 320 1 1 . 1 1 61 61 VAL CA C 61 61.929 61.929 61.151 0.778 17811 321 1 1 . 1 1 61 61 VAL CB C 61 32.474 32.474 32.263 0.211 17811 322 1 1 . 1 1 61 61 VAL H H 61 8.507 8.507 8.752 -0.245 17811 323 1 1 . 1 1 62 62 LEU N N 62 129.499 129.499 129.791 -0.292 17811 324 1 1 . 1 1 62 62 LEU HA H 62 5.472 5.472 5.103 0.369 17811 325 1 1 . 1 1 62 62 LEU C C 62 175.095 175.095 175.475 -0.380 17811 326 1 1 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.898 -1.148 17811 327 1 1 . 1 1 62 62 LEU CB C 62 44.872 44.872 41.920 2.952 17811 328 1 1 . 1 1 62 62 LEU H H 62 9.202 9.202 9.143 0.059 17811 329 1 1 . 1 1 63 63 ALA N N 63 126.661 126.661 128.336 -1.675 17811 330 1 1 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.452 0.420 17811 331 1 1 . 1 1 63 63 ALA C C 63 175.583 175.583 176.059 -0.476 17811 332 1 1 . 1 1 63 63 ALA CA C 63 50.284 50.284 49.894 0.390 17811 333 1 1 . 1 1 63 63 ALA CB C 63 25.556 25.556 21.997 3.559 17811 334 1 1 . 1 1 63 63 ALA H H 63 9.567 9.567 9.241 0.326 17811 335 1 1 . 1 1 64 64 LYS N N 64 117.967 117.967 123.091 -5.124 17811 336 1 1 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.363 -0.363 17811 337 1 1 . 1 1 64 64 LYS C C 64 174.057 174.057 174.317 -0.260 17811 338 1 1 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.494 0.804 17811 339 1 1 . 1 1 64 64 LYS CB C 64 34.734 34.734 34.073 0.661 17811 340 1 1 . 1 1 64 64 LYS H H 64 8.422 8.422 8.847 -0.425 17811 341 1 1 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.390 0.144 17811 342 1 1 . 1 1 65 65 PRO C C 65 174.946 174.946 176.487 -1.541 17811 343 1 1 . 1 1 65 65 PRO CA C 65 62.682 62.682 63.132 -0.450 17811 344 1 1 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.861 -0.113 17811 345 1 1 . 1 1 66 66 ARG N N 66 121.057 121.057 121.875 -0.818 17811 346 1 1 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.223 0.294 17811 347 1 1 . 1 1 66 66 ARG C C 66 175.264 175.264 175.587 -0.323 17811 348 1 1 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.377 -1.435 17811 349 1 1 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.390 0.851 17811 350 1 1 . 1 1 66 66 ARG H H 66 9.377 9.377 8.574 0.803 17811 351 1 1 . 1 1 67 67 CYS N N 67 115.093 115.093 116.513 -1.420 17811 352 1 1 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.486 0.220 17811 353 1 1 . 1 1 67 67 CYS C C 67 172.092 172.092 174.148 -2.056 17811 354 1 1 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.591 -3.266 17811 355 1 1 . 1 1 67 67 CYS CB C 67 30.899 30.899 30.605 0.294 17811 356 1 1 . 1 1 67 67 CYS H H 67 7.303 7.303 7.396 -0.093 17811 357 1 1 . 1 1 68 68 TYR N N 68 115.888 115.888 118.955 -3.067 17811 358 1 1 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.501 -0.081 17811 359 1 1 . 1 1 68 68 TYR C C 68 178.080 178.080 178.306 -0.226 17811 360 1 1 . 1 1 68 68 TYR CA C 68 59.874 59.874 59.312 0.562 17811 361 1 1 . 1 1 68 68 TYR CB C 68 38.365 38.365 39.039 -0.674 17811 362 1 1 . 1 1 68 68 TYR H H 68 8.201 8.201 8.304 -0.103 17811 363 1 1 . 1 1 69 69 MET N N 69 119.802 119.802 119.308 0.494 17811 364 1 1 . 1 1 69 69 MET HA H 69 4.137 4.137 4.101 0.036 17811 365 1 1 . 1 1 69 69 MET C C 69 175.076 175.076 177.401 -2.325 17811 366 1 1 . 1 1 69 69 MET CA C 69 58.641 58.641 59.173 -0.532 17811 367 1 1 . 1 1 69 69 MET CB C 69 33.090 33.090 32.214 0.876 17811 368 1 1 . 1 1 69 69 MET H H 69 8.367 8.367 8.880 -0.513 17811 369 1 1 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.627 -0.332 17811 370 1 1 . 1 1 70 70 ASN C C 70 175.274 175.274 177.372 -2.098 17811 371 1 1 . 1 1 70 70 ASN CA C 70 55.284 55.284 56.749 -1.465 17811 372 1 1 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.008 -0.534 17811 373 1 1 . 1 1 71 71 GLU N N 71 117.111 117.111 117.745 -0.634 17811 374 1 1 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.439 0.315 17811 375 1 1 . 1 1 71 71 GLU C C 71 176.823 176.823 177.803 -0.980 17811 376 1 1 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.670 -1.249 17811 377 1 1 . 1 1 71 71 GLU CB C 71 31.036 31.036 29.462 1.574 17811 378 1 1 . 1 1 71 71 GLU H H 71 8.007 8.007 8.399 -0.392 17811 379 1 1 . 1 1 72 72 SER N N 72 115.827 115.827 117.610 -1.783 17811 380 1 1 . 1 1 72 72 SER HA H 72 4.726 4.726 4.215 0.511 17811 381 1 1 . 1 1 72 72 SER C C 72 177.029 177.029 176.738 0.291 17811 382 1 1 . 1 1 72 72 SER CA C 72 63.778 63.778 61.692 2.086 17811 383 1 1 . 1 1 72 72 SER CB C 72 63.890 63.890 63.011 0.879 17811 384 1 1 . 1 1 72 72 SER H H 72 7.703 7.703 7.755 -0.052 17811 385 1 1 . 1 1 73 73 GLY N N 73 109.887 109.887 108.575 1.312 17811 386 1 1 . 1 1 73 73 GLY C C 73 173.988 173.988 175.691 -1.703 17811 387 1 1 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.626 1.808 17811 388 1 1 . 1 1 73 73 GLY H H 73 9.527 9.527 7.938 1.589 17811 389 1 1 . 1 1 74 74 ARG N N 74 119.068 119.068 117.982 1.086 17811 390 1 1 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.351 -0.172 17811 391 1 1 . 1 1 74 74 ARG C C 74 176.973 176.973 177.232 -0.259 17811 392 1 1 . 1 1 74 74 ARG CA C 74 58.024 58.024 56.997 1.027 17811 393 1 1 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.646 0.020 17811 394 1 1 . 1 1 74 74 ARG H H 74 8.207 8.207 7.538 0.669 17811 395 1 1 . 1 1 75 75 GLN N N 75 113.474 113.474 117.969 -4.495 17811 396 1 1 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.298 0.325 17811 397 1 1 . 1 1 75 75 GLN C C 75 175.840 175.840 177.864 -2.024 17811 398 1 1 . 1 1 75 75 GLN CA C 75 57.613 57.613 57.720 -0.107 17811 399 1 1 . 1 1 75 75 GLN CB C 75 29.597 29.597 29.461 0.136 17811 400 1 1 . 1 1 75 75 GLN H H 75 7.260 7.260 7.646 -0.386 17811 401 1 1 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.623 -0.193 17811 402 1 1 . 1 1 76 76 VAL C C 76 176.463 176.463 177.979 -1.516 17811 403 1 1 . 1 1 76 76 VAL CA C 76 66.998 66.998 66.337 0.661 17811 404 1 1 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.358 1.116 17811 405 1 1 . 1 1 77 77 GLY N N 77 104.918 104.918 107.919 -3.001 17811 406 1 1 . 1 1 77 77 GLY C C 77 175.472 175.472 173.105 2.367 17811 407 1 1 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.297 -0.069 17811 408 1 1 . 1 1 77 77 GLY H H 77 8.541 8.541 7.869 0.672 17811 409 1 1 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.038 0.179 17811 410 1 1 . 1 1 78 78 PRO C C 78 179.208 179.208 177.751 1.457 17811 411 1 1 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.022 0.126 17811 412 1 1 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.288 0.980 17811 413 1 1 . 1 1 79 79 LEU N N 79 119.649 119.649 118.788 0.861 17811 414 1 1 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.386 -0.432 17811 415 1 1 . 1 1 79 79 LEU C C 79 177.367 177.367 178.551 -1.184 17811 416 1 1 . 1 1 79 79 LEU CA C 79 58.504 58.504 57.617 0.887 17811 417 1 1 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.262 1.624 17811 418 1 1 . 1 1 79 79 LEU H H 79 7.466 7.466 7.450 0.016 17811 419 1 1 . 1 1 80 80 ALA N N 80 120.470 120.470 120.490 -0.020 17811 420 1 1 . 1 1 80 80 ALA HA H 80 3.888 3.888 3.900 -0.012 17811 421 1 1 . 1 1 80 80 ALA C C 80 179.939 179.939 179.070 0.869 17811 422 1 1 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.512 -0.022 17811 423 1 1 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.316 -0.706 17811 424 1 1 . 1 1 80 80 ALA H H 80 8.279 8.279 8.297 -0.018 17811 425 1 1 . 1 1 81 81 LYS N N 81 116.408 116.408 118.012 -1.604 17811 426 1 1 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.032 0.062 17811 427 1 1 . 1 1 81 81 LYS C C 81 179.920 179.920 179.201 0.719 17811 428 1 1 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.902 0.013 17811 429 1 1 . 1 1 81 81 LYS CB C 81 32.337 32.337 31.878 0.459 17811 430 1 1 . 1 1 81 81 LYS H H 81 7.798 7.798 7.464 0.334 17811 431 1 1 . 1 1 82 82 PHE N N 82 121.199 121.199 118.418 2.781 17811 432 1 1 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.260 -0.225 17811 433 1 1 . 1 1 82 82 PHE C C 82 177.254 177.254 177.345 -0.091 17811 434 1 1 . 1 1 82 82 PHE CA C 82 61.449 61.449 60.655 0.794 17811 435 1 1 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.548 0.365 17811 436 1 1 . 1 1 82 82 PHE H H 82 8.489 8.489 7.230 1.259 17811 437 1 1 . 1 1 83 83 TYR N N 83 114.176 114.176 113.620 0.556 17811 438 1 1 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.622 -0.218 17811 439 1 1 . 1 1 83 83 TYR C C 83 173.368 173.368 175.099 -1.731 17811 440 1 1 . 1 1 83 83 TYR CA C 83 59.600 59.600 58.084 1.516 17811 441 1 1 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.578 0.472 17811 442 1 1 . 1 1 83 83 TYR H H 83 7.634 7.634 7.796 -0.162 17811 443 1 1 . 1 1 84 84 SER N N 84 114.910 114.910 115.345 -0.435 17811 444 1 1 . 1 1 84 84 SER HA H 84 4.020 4.020 4.222 -0.202 17811 445 1 1 . 1 1 84 84 SER C C 84 173.518 173.518 174.189 -0.671 17811 446 1 1 . 1 1 84 84 SER CA C 84 58.367 58.367 59.328 -0.961 17811 447 1 1 . 1 1 84 84 SER CB C 84 61.244 61.244 61.973 -0.729 17811 448 1 1 . 1 1 84 84 SER H H 84 7.674 7.674 7.597 0.077 17811 449 1 1 . 1 1 85 85 VAL N N 85 120.291 120.291 117.866 2.425 17811 450 1 1 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.565 -0.608 17811 451 1 1 . 1 1 85 85 VAL C C 85 174.171 174.171 173.519 0.652 17811 452 1 1 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.162 1.164 17811 453 1 1 . 1 1 85 85 VAL CB C 85 33.296 33.296 32.717 0.579 17811 454 1 1 . 1 1 85 85 VAL H H 85 8.456 8.456 8.012 0.444 17811 455 1 1 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.361 -0.005 17811 456 1 1 . 1 1 89 89 GLN C C 89 179.299 179.299 175.088 4.211 17811 457 1 1 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.862 0.970 17811 458 1 1 . 1 1 89 89 GLN CB C 89 29.255 29.255 27.005 2.250 17811 459 1 1 . 1 1 90 90 ILE N N 90 119.343 119.343 118.113 1.230 17811 460 1 1 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.598 -0.536 17811 461 1 1 . 1 1 90 90 ILE C C 90 175.020 175.020 174.494 0.526 17811 462 1 1 . 1 1 90 90 ILE CA C 90 60.627 60.627 59.139 1.488 17811 463 1 1 . 1 1 90 90 ILE CB C 90 38.365 38.365 41.035 -2.670 17811 464 1 1 . 1 1 90 90 ILE H H 90 7.728 7.728 7.739 -0.011 17811 465 1 1 . 1 1 91 91 VAL N N 91 127.979 127.979 117.602 10.377 17811 466 1 1 . 1 1 91 91 VAL HA H 91 4.454 4.454 5.003 -0.549 17811 467 1 1 . 1 1 91 91 VAL C C 91 174.119 174.119 174.969 -0.850 17811 468 1 1 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.779 0.711 17811 469 1 1 . 1 1 91 91 VAL CB C 91 34.597 34.597 33.330 1.267 17811 470 1 1 . 1 1 91 91 VAL H H 91 9.358 9.358 7.845 1.513 17811 471 1 1 . 1 1 92 92 VAL N N 92 127.153 127.153 126.028 1.125 17811 472 1 1 . 1 1 92 92 VAL HA H 92 4.155 4.155 5.165 -1.010 17811 473 1 1 . 1 1 92 92 VAL C C 92 174.326 174.326 175.491 -1.165 17811 474 1 1 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.169 0.938 17811 475 1 1 . 1 1 92 92 VAL CB C 92 33.570 33.570 34.305 -0.735 17811 476 1 1 . 1 1 92 92 VAL H H 92 9.268 9.268 8.326 0.942 17811 477 1 1 . 1 1 93 93 ILE N N 93 128.894 128.894 128.523 0.371 17811 478 1 1 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.595 0.405 17811 479 1 1 . 1 1 93 93 ILE C C 93 174.945 174.945 173.727 1.218 17811 480 1 1 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.361 0.609 17811 481 1 1 . 1 1 93 93 ILE CB C 93 39.461 39.461 38.733 0.727 17811 482 1 1 . 1 1 93 93 ILE H H 93 9.198 9.198 8.462 0.736 17811 483 1 1 . 1 1 94 94 HIS N N 94 121.624 121.624 127.292 -5.668 17811 484 1 1 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.911 0.513 17811 485 1 1 . 1 1 94 94 HIS C C 94 171.510 171.510 172.427 -0.917 17811 486 1 1 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.908 -0.721 17811 487 1 1 . 1 1 94 94 HIS CB C 94 32.748 32.748 33.478 -0.730 17811 488 1 1 . 1 1 94 94 HIS H H 94 8.762 8.762 9.102 -0.340 17811 489 1 1 . 1 1 95 95 ASP N N 95 115.353 115.353 123.742 -8.389 17811 490 1 1 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.805 0.299 17811 491 1 1 . 1 1 95 95 ASP C C 95 177.555 177.555 174.616 2.939 17811 492 1 1 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.273 -0.455 17811 493 1 1 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.571 0.493 17811 494 1 1 . 1 1 95 95 ASP H H 95 10.045 10.045 8.044 2.001 17811 495 1 1 . 1 1 96 96 GLU N N 96 125.562 125.562 118.461 7.101 17811 496 1 1 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.596 0.638 17811 497 1 1 . 1 1 96 96 GLU C C 96 175.245 175.245 176.397 -1.152 17811 498 1 1 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.737 -0.138 17811 499 1 1 . 1 1 96 96 GLU CB C 96 34.255 34.255 34.392 -0.137 17811 500 1 1 . 1 1 96 96 GLU H H 96 9.100 9.100 8.700 0.400 17811 501 1 1 . 1 1 97 97 LEU N N 97 130.882 130.882 117.974 12.908 17811 502 1 1 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.805 -0.297 17811 503 1 1 . 1 1 97 97 LEU C C 97 177.911 177.911 177.288 0.623 17811 504 1 1 . 1 1 97 97 LEU CA C 97 56.928 56.928 55.421 1.507 17811 505 1 1 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.695 1.944 17811 506 1 1 . 1 1 97 97 LEU H H 97 8.774 8.774 8.639 0.135 17811 507 1 1 . 1 1 98 98 ASP N N 98 114.282 114.282 118.503 -4.221 17811 508 1 1 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.372 0.093 17811 509 1 1 . 1 1 98 98 ASP C C 98 175.339 175.339 176.107 -0.768 17811 510 1 1 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.378 -0.409 17811 511 1 1 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.241 -0.616 17811 512 1 1 . 1 1 98 98 ASP H H 98 8.729 8.729 8.183 0.546 17811 513 1 1 . 1 1 99 99 ILE N N 99 116.163 116.163 111.123 5.040 17811 514 1 1 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.501 -0.615 17811 515 1 1 . 1 1 99 99 ILE C C 99 174.044 174.044 173.659 0.385 17811 516 1 1 . 1 1 99 99 ILE CA C 99 59.394 59.394 59.504 -0.110 17811 517 1 1 . 1 1 99 99 ILE CB C 99 40.968 40.968 40.823 0.145 17811 518 1 1 . 1 1 99 99 ILE H H 99 7.149 7.149 7.278 -0.129 17811 519 1 1 . 1 1 100 100 ASP N N 100 122.370 122.370 120.160 2.210 17811 520 1 1 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.730 -0.429 17811 521 1 1 . 1 1 100 100 ASP C C 100 175.321 175.321 175.700 -0.379 17811 522 1 1 . 1 1 100 100 ASP CA C 100 55.216 55.216 54.301 0.915 17811 523 1 1 . 1 1 100 100 ASP CB C 100 41.584 41.584 41.648 -0.063 17811 524 1 1 . 1 1 100 100 ASP H H 100 8.109 8.109 8.312 -0.203 17811 525 1 1 . 1 1 101 101 PHE N N 101 119.674 119.674 120.208 -0.534 17811 526 1 1 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.842 -0.809 17811 527 1 1 . 1 1 101 101 PHE C C 101 176.654 176.654 176.572 0.082 17811 528 1 1 . 1 1 101 101 PHE CA C 101 59.463 59.463 59.211 0.252 17811 529 1 1 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.674 -0.350 17811 530 1 1 . 1 1 101 101 PHE H H 101 8.598 8.598 8.573 0.025 17811 531 1 1 . 1 1 102 102 GLY N N 102 116.800 116.800 114.488 2.312 17811 532 1 1 . 1 1 102 102 GLY C C 102 172.749 172.749 173.134 -0.385 17811 533 1 1 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.081 0.134 17811 534 1 1 . 1 1 102 102 GLY H H 102 8.550 8.550 8.116 0.434 17811 535 1 1 . 1 1 103 103 ARG N N 103 118.304 118.304 120.930 -2.626 17811 536 1 1 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.774 -0.236 17811 537 1 1 . 1 1 103 103 ARG C C 103 175.114 175.114 174.143 0.971 17811 538 1 1 . 1 1 103 103 ARG CA C 103 54.736 54.736 53.903 0.833 17811 539 1 1 . 1 1 103 103 ARG CB C 103 31.310 31.310 32.802 -1.492 17811 540 1 1 . 1 1 103 103 ARG H H 103 7.730 7.730 7.452 0.278 17811 541 1 1 . 1 1 104 104 ILE N N 104 122.440 122.440 115.455 6.985 17811 542 1 1 . 1 1 104 104 ILE HA H 104 4.971 4.971 4.785 0.186 17811 543 1 1 . 1 1 104 104 ILE C C 104 175.884 175.884 174.805 1.079 17811 544 1 1 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.375 0.430 17811 545 1 1 . 1 1 104 104 ILE CB C 104 40.968 40.968 41.760 -0.792 17811 546 1 1 . 1 1 104 104 ILE H H 104 8.687 8.687 8.160 0.527 17811 547 1 1 . 1 1 105 105 ARG N N 105 124.391 124.391 121.442 2.949 17811 548 1 1 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.749 0.153 17811 549 1 1 . 1 1 105 105 ARG C C 105 174.157 174.157 174.629 -0.472 17811 550 1 1 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.671 -2.757 17811 551 1 1 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.925 0.673 17811 552 1 1 . 1 1 105 105 ARG H H 105 9.025 9.025 8.779 0.246 17811 553 1 1 . 1 1 106 106 LEU N N 106 123.612 123.612 123.370 0.242 17811 554 1 1 . 1 1 106 106 LEU HA H 106 5.531 5.531 5.236 0.295 17811 555 1 1 . 1 1 106 106 LEU C C 106 178.303 178.303 175.852 2.451 17811 556 1 1 . 1 1 106 106 LEU CA C 106 53.161 53.161 53.849 -0.688 17811 557 1 1 . 1 1 106 106 LEU CB C 106 45.420 45.420 41.852 3.568 17811 558 1 1 . 1 1 106 106 LEU H H 106 11.263 11.263 8.685 2.578 17811 559 1 1 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.628 -0.552 17811 560 1 1 . 1 1 107 107 LYS C C 107 175.241 175.241 174.457 0.784 17811 561 1 1 . 1 1 107 107 LYS CA C 107 56.419 56.419 54.355 2.064 17811 562 1 1 . 1 1 107 107 LYS CB C 107 38.913 38.913 36.085 2.828 17811 563 1 1 . 1 1 108 108 LEU N N 108 125.733 125.733 120.016 5.717 17811 564 1 1 . 1 1 108 108 LEU HA H 108 4.663 4.663 5.406 -0.743 17811 565 1 1 . 1 1 108 108 LEU C C 108 176.152 176.152 177.050 -0.898 17811 566 1 1 . 1 1 108 108 LEU CA C 108 54.325 54.325 53.926 0.399 17811 567 1 1 . 1 1 108 108 LEU CB C 108 42.374 42.374 41.835 0.539 17811 568 1 1 . 1 1 108 108 LEU H H 108 8.488 8.488 8.533 -0.045 17811 569 1 1 . 1 1 109 109 GLY N N 109 113.088 113.088 111.271 1.817 17811 570 1 1 . 1 1 109 109 GLY C C 109 171.829 171.829 172.910 -1.081 17811 571 1 1 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.643 -1.182 17811 572 1 1 . 1 1 109 109 GLY H H 109 7.427 7.427 7.920 -0.493 17811 573 1 1 . 1 1 110 110 GLY N N 110 102.747 102.747 106.333 -3.586 17811 574 1 1 . 1 1 110 110 GLY C C 110 174.538 174.538 173.701 0.837 17811 575 1 1 . 1 1 110 110 GLY CA C 110 44.050 44.050 45.636 -1.587 17811 576 1 1 . 1 1 110 110 GLY H H 110 7.685 7.685 8.462 -0.777 17811 577 1 1 . 1 1 111 111 GLY N N 111 117.376 117.376 111.002 6.374 17811 578 1 1 . 1 1 111 111 GLY C C 111 172.020 172.020 173.440 -1.420 17811 579 1 1 . 1 1 111 111 GLY CA C 111 43.845 43.845 45.349 -1.504 17811 580 1 1 . 1 1 111 111 GLY H H 111 8.252 8.252 8.238 0.014 17811 581 1 1 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.402 -0.208 17811 582 1 1 . 1 1 112 112 GLU C C 112 177.997 177.997 175.657 2.340 17811 583 1 1 . 1 1 112 112 GLU CA C 112 57.202 57.202 56.493 0.709 17811 584 1 1 . 1 1 112 112 GLU CB C 112 29.489 29.489 31.120 -1.631 17811 585 1 1 . 1 1 113 113 GLY N N 113 110.029 110.029 106.430 3.599 17811 586 1 1 . 1 1 113 113 GLY C C 113 175.583 175.583 175.289 0.294 17811 587 1 1 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.024 1.972 17811 588 1 1 . 1 1 113 113 GLY H H 113 8.638 8.638 8.877 -0.239 17811 589 1 1 . 1 1 114 114 GLY N N 114 107.830 107.830 110.373 -2.543 17811 590 1 1 . 1 1 114 114 GLY C C 114 173.838 173.838 174.825 -0.987 17811 591 1 1 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.773 0.579 17811 592 1 1 . 1 1 114 114 GLY H H 114 8.579 8.579 8.961 -0.382 17811 593 1 1 . 1 1 115 115 HIS N N 115 122.890 122.890 123.763 -0.873 17811 594 1 1 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.186 0.517 17811 595 1 1 . 1 1 115 115 HIS C C 115 176.520 176.520 176.988 -0.468 17811 596 1 1 . 1 1 115 115 HIS CA C 115 57.956 57.956 61.163 -3.207 17811 597 1 1 . 1 1 115 115 HIS CB C 115 32.405 32.405 30.105 2.300 17811 598 1 1 . 1 1 115 115 HIS H H 115 7.830 7.830 8.248 -0.418 17811 599 1 1 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.524 -0.228 17811 600 1 1 . 1 1 116 116 ASN C C 116 178.246 178.246 177.515 0.731 17811 601 1 1 . 1 1 116 116 ASN CA C 116 56.380 56.380 56.267 0.113 17811 602 1 1 . 1 1 116 116 ASN CB C 116 36.721 36.721 38.063 -1.342 17811 603 1 1 . 1 1 117 117 GLY N N 117 113.570 113.570 108.019 5.551 17811 604 1 1 . 1 1 117 117 GLY C C 117 175.114 175.114 176.453 -1.339 17811 605 1 1 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.757 0.650 17811 606 1 1 . 1 1 117 117 GLY H H 117 9.245 9.245 8.557 0.688 17811 607 1 1 . 1 1 118 118 LEU N N 118 123.746 123.746 122.520 1.226 17811 608 1 1 . 1 1 118 118 LEU HA H 118 3.836 3.836 3.951 -0.115 17811 609 1 1 . 1 1 118 118 LEU C C 118 179.150 179.150 178.520 0.630 17811 610 1 1 . 1 1 118 118 LEU CA C 118 58.093 58.093 57.402 0.691 17811 611 1 1 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.801 0.537 17811 612 1 1 . 1 1 118 118 LEU H H 118 8.133 8.133 7.669 0.464 17811 613 1 1 . 1 1 119 119 ARG N N 119 117.495 117.495 120.022 -2.527 17811 614 1 1 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.015 0.046 17811 615 1 1 . 1 1 119 119 ARG C C 119 178.400 178.400 178.337 0.063 17811 616 1 1 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.541 1.196 17811 617 1 1 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.636 0.852 17811 618 1 1 . 1 1 119 119 ARG H H 119 8.234 8.234 8.728 -0.494 17811 619 1 1 . 1 1 120 120 SER N N 120 112.769 112.769 114.525 -1.756 17811 620 1 1 . 1 1 120 120 SER HA H 120 4.218 4.218 4.127 0.091 17811 621 1 1 . 1 1 120 120 SER C C 120 178.568 178.568 176.466 2.102 17811 622 1 1 . 1 1 120 120 SER CA C 120 60.901 60.901 62.259 -1.358 17811 623 1 1 . 1 1 120 120 SER CB C 120 63.367 63.367 62.871 0.496 17811 624 1 1 . 1 1 120 120 SER H H 120 7.283 7.283 8.430 -1.147 17811 625 1 1 . 1 1 121 121 VAL N N 121 120.291 120.291 120.289 0.002 17811 626 1 1 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.764 -0.505 17811 627 1 1 . 1 1 121 121 VAL C C 121 176.485 176.485 177.348 -0.863 17811 628 1 1 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.293 2.801 17811 629 1 1 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.586 -0.002 17811 630 1 1 . 1 1 121 121 VAL H H 121 8.263 8.263 7.433 0.830 17811 631 1 1 . 1 1 122 122 ALA N N 122 120.702 120.702 123.449 -2.747 17811 632 1 1 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.569 -0.084 17811 633 1 1 . 1 1 122 122 ALA C C 122 181.178 181.178 179.515 1.663 17811 634 1 1 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.146 0.138 17811 635 1 1 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.681 -0.112 17811 636 1 1 . 1 1 122 122 ALA H H 122 8.708 8.708 8.340 0.368 17811 637 1 1 . 1 1 123 123 SER N N 123 113.198 113.198 113.235 -0.037 17811 638 1 1 . 1 1 123 123 SER HA H 123 4.049 4.049 4.271 -0.222 17811 639 1 1 . 1 1 123 123 SER C C 123 176.672 176.672 176.617 0.055 17811 640 1 1 . 1 1 123 123 SER CA C 123 61.312 61.312 60.753 0.559 17811 641 1 1 . 1 1 123 123 SER CB C 123 62.888 62.888 63.081 -0.193 17811 642 1 1 . 1 1 123 123 SER H H 123 8.137 8.137 8.447 -0.310 17811 643 1 1 . 1 1 124 124 ALA N N 124 122.798 122.798 124.185 -1.387 17811 644 1 1 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.185 -0.049 17811 645 1 1 . 1 1 124 124 ALA C C 124 180.052 180.052 179.230 0.822 17811 646 1 1 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.493 0.175 17811 647 1 1 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.616 1.254 17811 648 1 1 . 1 1 124 124 ALA H H 124 7.692 7.692 7.397 0.295 17811 649 1 1 . 1 1 125 125 LEU N N 125 114.359 114.359 117.066 -2.707 17811 650 1 1 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.296 -0.105 17811 651 1 1 . 1 1 125 125 LEU C C 125 178.024 178.024 177.991 0.033 17811 652 1 1 . 1 1 125 125 LEU CA C 125 55.490 55.490 55.691 -0.200 17811 653 1 1 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.399 0.555 17811 654 1 1 . 1 1 125 125 LEU H H 125 8.219 8.219 8.440 -0.221 17811 655 1 1 . 1 1 126 126 GLY N N 126 106.746 106.746 106.326 0.420 17811 656 1 1 . 1 1 126 126 GLY C C 126 173.124 173.124 174.129 -1.005 17811 657 1 1 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.376 0.181 17811 658 1 1 . 1 1 126 126 GLY H H 126 7.910 7.910 7.995 -0.085 17811 659 1 1 . 1 1 127 127 THR N N 127 112.372 112.372 111.455 0.917 17811 660 1 1 . 1 1 127 127 THR HA H 127 4.586 4.586 4.491 0.095 17811 661 1 1 . 1 1 127 127 THR C C 127 170.252 170.252 173.102 -2.850 17811 662 1 1 . 1 1 127 127 THR CA C 127 59.463 59.463 60.144 -0.681 17811 663 1 1 . 1 1 127 127 THR CB C 127 67.751 67.751 69.701 -1.950 17811 664 1 1 . 1 1 127 127 THR H H 127 7.611 7.611 7.659 -0.048 17811 665 1 1 . 1 1 128 128 LYS N N 128 120.933 120.933 122.376 -1.443 17811 666 1 1 . 1 1 128 128 LYS HA H 128 4.314 4.314 3.807 0.507 17811 667 1 1 . 1 1 128 128 LYS C C 128 178.400 178.400 176.342 2.058 17811 668 1 1 . 1 1 128 128 LYS CA C 128 56.038 56.038 55.964 0.074 17811 669 1 1 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.810 -0.062 17811 670 1 1 . 1 1 128 128 LYS H H 128 8.075 8.075 8.228 -0.153 17811 671 1 1 . 1 1 129 129 ASN N N 129 124.675 124.675 115.426 9.249 17811 672 1 1 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.407 -0.103 17811 673 1 1 . 1 1 129 129 ASN C C 129 171.284 171.284 173.715 -2.431 17811 674 1 1 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.644 0.476 17811 675 1 1 . 1 1 129 129 ASN CB C 129 37.063 37.063 38.258 -1.196 17811 676 1 1 . 1 1 129 129 ASN H H 129 8.736 8.736 7.903 0.833 17811 677 1 1 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.803 0.288 17811 678 1 1 . 1 1 131 131 HIS C C 131 175.397 175.397 174.407 0.990 17811 679 1 1 . 1 1 131 131 HIS CA C 131 60.148 60.148 54.968 5.181 17811 680 1 1 . 1 1 131 131 HIS CB C 131 30.967 30.967 30.074 0.893 17811 681 1 1 . 1 1 132 132 ARG N N 132 119.440 119.440 125.046 -5.606 17811 682 1 1 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.599 1.350 17811 683 1 1 . 1 1 132 132 ARG C C 132 174.945 174.945 174.731 0.214 17811 684 1 1 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.302 0.256 17811 685 1 1 . 1 1 132 132 ARG CB C 132 32.679 32.679 32.679 0.000 17811 686 1 1 . 1 1 132 132 ARG H H 132 9.525 9.525 8.019 1.506 17811 687 1 1 . 1 1 133 133 VAL N N 133 124.107 124.107 121.739 2.368 17811 688 1 1 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.118 -0.011 17811 689 1 1 . 1 1 133 133 VAL C C 133 172.805 172.805 174.707 -1.902 17811 690 1 1 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.790 0.687 17811 691 1 1 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.072 0.333 17811 692 1 1 . 1 1 133 133 VAL H H 133 8.669 8.669 8.721 -0.052 17811 693 1 1 . 1 1 134 134 ARG N N 134 123.782 123.782 128.136 -4.354 17811 694 1 1 . 1 1 134 134 ARG HA H 134 3.624 3.624 5.104 -1.480 17811 695 1 1 . 1 1 134 134 ARG C C 134 174.964 174.964 175.643 -0.679 17811 696 1 1 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.764 -0.850 17811 697 1 1 . 1 1 134 134 ARG CB C 134 32.063 32.063 31.292 0.771 17811 698 1 1 . 1 1 134 134 ARG H H 134 8.822 8.822 9.018 -0.196 17811 699 1 1 . 1 1 135 135 ILE N N 135 122.618 122.618 126.481 -3.863 17811 700 1 1 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.022 0.278 17811 701 1 1 . 1 1 135 135 ILE C C 135 175.809 175.809 175.275 0.534 17811 702 1 1 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.354 0.273 17811 703 1 1 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.121 0.312 17811 704 1 1 . 1 1 135 135 ILE H H 135 8.532 8.532 8.783 -0.251 17811 705 1 1 . 1 1 136 136 GLY N N 136 116.268 116.268 115.969 0.299 17811 706 1 1 . 1 1 136 136 GLY C C 136 175.302 175.302 174.610 0.692 17811 707 1 1 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.476 2.958 17811 708 1 1 . 1 1 136 136 GLY H H 136 9.240 9.240 8.136 1.104 17811 709 1 1 . 1 1 137 137 VAL N N 137 111.669 111.669 121.520 -9.851 17811 710 1 1 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.870 0.325 17811 711 1 1 . 1 1 137 137 VAL C C 137 176.691 176.691 175.769 0.922 17811 712 1 1 . 1 1 137 137 VAL CA C 137 60.216 60.216 59.901 0.314 17811 713 1 1 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.224 1.620 17811 714 1 1 . 1 1 137 137 VAL H H 137 8.370 8.370 8.306 0.064 17811 715 1 1 . 1 1 138 138 GLY N N 138 111.577 111.577 109.169 2.408 17811 716 1 1 . 1 1 138 138 GLY C C 138 169.895 169.895 172.415 -2.520 17811 717 1 1 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.521 0.968 17811 718 1 1 . 1 1 138 138 GLY H H 138 8.524 8.524 7.984 0.540 17811 719 1 1 . 1 1 139 139 ARG N N 139 112.983 112.983 119.395 -6.412 17811 720 1 1 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.663 -0.278 17811 721 1 1 . 1 1 139 139 ARG C C 139 175.133 175.133 173.844 1.289 17811 722 1 1 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.072 0.089 17811 723 1 1 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.012 -0.346 17811 724 1 1 . 1 1 139 139 ARG H H 139 7.603 7.603 8.438 -0.835 17811 725 1 1 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.337 0.296 17811 726 1 1 . 1 1 141 141 PRO C C 141 176.503 176.503 176.308 0.195 17811 727 1 1 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.936 0.020 17811 728 1 1 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.134 0.819 17811 729 1 1 . 1 1 142 142 GLY N N 142 107.144 107.144 110.719 -3.575 17811 730 1 1 . 1 1 142 142 GLY C C 142 175.076 175.076 173.275 1.801 17811 731 1 1 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.411 -0.881 17811 732 1 1 . 1 1 142 142 GLY H H 142 8.228 8.228 7.791 0.437 17811 733 1 1 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.533 -0.268 17811 734 1 1 . 1 1 143 143 ARG C C 143 175.848 175.848 176.237 -0.389 17811 735 1 1 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.310 -0.889 17811 736 1 1 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.706 -1.588 17811 737 1 1 . 1 1 144 144 LYS N N 144 121.850 121.850 120.627 1.223 17811 738 1 1 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.444 -0.385 17811 739 1 1 . 1 1 144 144 LYS C C 144 175.152 175.152 175.284 -0.132 17811 740 1 1 . 1 1 144 144 LYS CA C 144 56.312 56.312 55.182 1.130 17811 741 1 1 . 1 1 144 144 LYS CB C 144 32.611 32.611 33.326 -0.715 17811 742 1 1 . 1 1 144 144 LYS H H 144 7.542 7.542 7.824 -0.282 17811 743 1 1 . 1 1 145 145 ASP N N 145 126.413 126.413 122.009 4.404 17811 744 1 1 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.748 -0.045 17811 745 1 1 . 1 1 145 145 ASP C C 145 176.208 176.208 176.345 -0.137 17811 746 1 1 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.759 -0.420 17811 747 1 1 . 1 1 145 145 ASP CB C 145 42.406 42.406 42.080 0.326 17811 748 1 1 . 1 1 145 145 ASP H H 145 8.507 8.507 8.531 -0.024 17811 749 1 1 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.609 0.064 17811 750 1 1 . 1 1 146 146 PRO C C 146 177.555 177.555 177.748 -0.193 17811 751 1 1 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.125 0.503 17811 752 1 1 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.836 0.706 17811 753 1 1 . 1 1 147 147 ALA N N 147 119.068 119.068 120.640 -1.572 17811 754 1 1 . 1 1 147 147 ALA HA H 147 3.996 3.996 4.048 -0.052 17811 755 1 1 . 1 1 147 147 ALA C C 147 179.236 179.236 178.787 0.449 17811 756 1 1 . 1 1 147 147 ALA CA C 147 54.599 54.599 55.028 -0.429 17811 757 1 1 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.359 0.004 17811 758 1 1 . 1 1 147 147 ALA H H 147 8.161 8.161 8.587 -0.426 17811 759 1 1 . 1 1 148 148 ALA N N 148 118.488 118.488 118.654 -0.166 17811 760 1 1 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.187 -0.020 17811 761 1 1 . 1 1 148 148 ALA C C 148 180.397 180.397 179.394 1.003 17811 762 1 1 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.863 0.325 17811 763 1 1 . 1 1 148 148 ALA CB C 148 18.774 18.774 18.835 -0.061 17811 764 1 1 . 1 1 148 148 ALA H H 148 7.210 7.210 7.694 -0.484 17811 765 1 1 . 1 1 149 149 PHE N N 149 118.247 118.247 117.643 0.604 17811 766 1 1 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.464 -0.326 17811 767 1 1 . 1 1 149 149 PHE C C 149 178.080 178.080 177.753 0.327 17811 768 1 1 . 1 1 149 149 PHE CA C 149 60.353 60.353 60.028 0.325 17811 769 1 1 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.474 1.357 17811 770 1 1 . 1 1 149 149 PHE H H 149 8.099 8.099 7.288 0.811 17811 771 1 1 . 1 1 150 150 VAL N N 150 107.786 107.786 119.726 -11.940 17811 772 1 1 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.917 -0.080 17811 773 1 1 . 1 1 150 150 VAL C C 150 174.757 174.757 175.856 -1.099 17811 774 1 1 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.016 -0.169 17811 775 1 1 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.671 -0.909 17811 776 1 1 . 1 1 150 150 VAL H H 150 7.587 7.587 8.378 -0.791 17811 777 1 1 . 1 1 151 151 LEU N N 151 118.783 118.783 115.731 3.052 17811 778 1 1 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.248 0.227 17811 779 1 1 . 1 1 151 151 LEU C C 151 174.926 174.926 175.359 -0.433 17811 780 1 1 . 1 1 151 151 LEU CA C 151 53.709 53.709 54.977 -1.268 17811 781 1 1 . 1 1 151 151 LEU CB C 151 41.036 41.036 41.949 -0.913 17811 782 1 1 . 1 1 151 151 LEU H H 151 6.914 6.914 7.460 -0.546 17811 783 1 1 . 1 1 152 152 GLU N N 152 118.356 118.356 115.407 2.949 17811 784 1 1 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.436 -0.111 17811 785 1 1 . 1 1 152 152 GLU C C 152 175.752 175.752 174.573 1.179 17811 786 1 1 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.942 -1.343 17811 787 1 1 . 1 1 152 152 GLU CB C 152 31.995 31.995 31.096 0.899 17811 788 1 1 . 1 1 152 152 GLU H H 152 6.823 6.823 7.495 -0.672 17811 789 1 1 . 1 1 153 153 ASN N N 153 116.805 116.805 122.129 -5.324 17811 790 1 1 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.814 -0.211 17811 791 1 1 . 1 1 153 153 ASN C C 153 175.734 175.734 174.305 1.429 17811 792 1 1 . 1 1 153 153 ASN CA C 153 52.750 52.750 52.539 0.211 17811 793 1 1 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.460 -1.616 17811 794 1 1 . 1 1 153 153 ASN H H 153 8.064 8.064 8.355 -0.291 17811 795 1 1 . 1 1 154 154 PHE N N 154 116.744 116.744 117.933 -1.189 17811 796 1 1 . 1 1 154 154 PHE HA H 154 4.325 4.325 4.765 -0.440 17811 797 1 1 . 1 1 154 154 PHE C C 154 177.142 177.142 174.397 2.745 17811 798 1 1 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.388 3.760 17811 799 1 1 . 1 1 154 154 PHE CB C 154 38.776 38.776 38.342 0.434 17811 800 1 1 . 1 1 154 154 PHE H H 154 7.410 7.410 7.915 -0.505 17811 801 1 1 . 1 1 155 155 THR N N 155 113.714 113.714 120.394 -6.680 17811 802 1 1 . 1 1 155 155 THR HA H 155 4.691 4.691 4.333 0.358 17811 803 1 1 . 1 1 155 155 THR C C 155 174.870 174.870 175.143 -0.273 17811 804 1 1 . 1 1 155 155 THR CA C 155 61.648 61.648 61.905 -0.257 17811 805 1 1 . 1 1 155 155 THR CB C 155 70.697 70.697 69.367 1.330 17811 806 1 1 . 1 1 155 155 THR H H 155 9.356 9.356 7.740 1.616 17811 807 1 1 . 1 1 156 156 ALA N N 156 122.937 122.937 131.581 -8.644 17811 808 1 1 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.050 0.289 17811 809 1 1 . 1 1 156 156 ALA C C 156 180.132 180.132 179.159 0.973 17811 810 1 1 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.723 1.383 17811 811 1 1 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.390 -0.438 17811 812 1 1 . 1 1 156 156 ALA H H 156 8.931 8.931 9.157 -0.226 17811 813 1 1 . 1 1 157 157 ALA N N 157 118.892 118.892 121.388 -2.496 17811 814 1 1 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.092 0.075 17811 815 1 1 . 1 1 157 157 ALA C C 157 181.009 181.009 179.499 1.510 17811 816 1 1 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.342 0.326 17811 817 1 1 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.151 0.348 17811 818 1 1 . 1 1 157 157 ALA H H 157 8.248 8.248 8.285 -0.037 17811 819 1 1 . 1 1 158 158 GLU N N 158 118.304 118.304 116.220 2.084 17811 820 1 1 . 1 1 158 158 GLU HA H 158 3.778 3.778 3.398 0.380 17811 821 1 1 . 1 1 158 158 GLU C C 158 179.920 179.920 177.598 2.322 17811 822 1 1 . 1 1 158 158 GLU CA C 158 58.298 58.298 57.795 0.503 17811 823 1 1 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.945 1.817 17811 824 1 1 . 1 1 158 158 GLU H H 158 7.486 7.486 7.765 -0.279 17811 825 1 1 . 1 1 159 159 ARG N N 159 118.363 118.363 117.896 0.467 17811 826 1 1 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.168 -0.465 17811 827 1 1 . 1 1 159 159 ARG C C 159 177.793 177.793 178.152 -0.359 17811 828 1 1 . 1 1 159 159 ARG CA C 159 59.763 59.763 56.980 2.783 17811 829 1 1 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.659 0.760 17811 830 1 1 . 1 1 159 159 ARG H H 159 9.117 9.117 7.508 1.609 17811 831 1 1 . 1 1 160 160 ALA N N 160 118.334 118.334 122.650 -4.316 17811 832 1 1 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.162 0.020 17811 833 1 1 . 1 1 160 160 ALA C C 160 178.512 178.512 178.228 0.284 17811 834 1 1 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.737 -0.412 17811 835 1 1 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.480 0.294 17811 836 1 1 . 1 1 160 160 ALA H H 160 7.227 7.227 7.267 -0.040 17811 837 1 1 . 1 1 161 161 GLU N N 161 114.910 114.910 115.754 -0.844 17811 838 1 1 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.666 -0.123 17811 839 1 1 . 1 1 161 161 GLU C C 161 177.085 177.085 177.294 -0.209 17811 840 1 1 . 1 1 161 161 GLU CA C 161 56.243 56.243 55.559 0.683 17811 841 1 1 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.653 2.273 17811 842 1 1 . 1 1 161 161 GLU H H 161 7.705 7.705 8.001 -0.296 17811 843 1 1 . 1 1 162 162 VAL N N 162 120.126 120.126 122.040 -1.914 17811 844 1 1 . 1 1 162 162 VAL HA H 162 4.153 4.153 4.050 0.103 17811 845 1 1 . 1 1 162 162 VAL C C 162 173.208 173.208 175.759 -2.551 17811 846 1 1 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.712 0.067 17811 847 1 1 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.029 1.185 17811 848 1 1 . 1 1 162 162 VAL H H 162 7.509 7.509 7.374 0.135 17811 849 1 1 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.295 -0.137 17811 850 1 1 . 1 1 163 163 PRO C C 163 179.146 179.146 178.934 0.212 17811 851 1 1 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.335 0.389 17811 852 1 1 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.003 -0.241 17811 853 1 1 . 1 1 164 164 THR N N 164 113.503 113.503 115.850 -2.347 17811 854 1 1 . 1 1 164 164 THR HA H 164 4.295 4.295 4.047 0.248 17811 855 1 1 . 1 1 164 164 THR C C 164 175.696 175.696 176.985 -1.289 17811 856 1 1 . 1 1 164 164 THR CA C 164 66.244 66.244 66.766 -0.522 17811 857 1 1 . 1 1 164 164 THR CB C 164 68.710 68.710 68.522 0.188 17811 858 1 1 . 1 1 164 164 THR H H 164 7.260 7.260 7.889 -0.629 17811 859 1 1 . 1 1 165 165 ILE N N 165 124.266 124.266 121.944 2.322 17811 860 1 1 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.763 -0.038 17811 861 1 1 . 1 1 165 165 ILE C C 165 177.949 177.949 177.561 0.388 17811 862 1 1 . 1 1 165 165 ILE CA C 165 65.148 65.148 64.494 0.654 17811 863 1 1 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.229 1.204 17811 864 1 1 . 1 1 165 165 ILE H H 165 7.781 7.781 8.038 -0.257 17811 865 1 1 . 1 1 166 166 VAL N N 166 117.723 117.723 120.700 -2.977 17811 866 1 1 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.550 -0.039 17811 867 1 1 . 1 1 166 166 VAL C C 166 178.062 178.062 178.479 -0.417 17811 868 1 1 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.089 -0.297 17811 869 1 1 . 1 1 166 166 VAL CB C 166 31.378 31.378 30.587 0.791 17811 870 1 1 . 1 1 166 166 VAL H H 166 8.605 8.605 7.961 0.644 17811 871 1 1 . 1 1 167 167 GLU N N 167 119.572 119.572 118.649 0.923 17811 872 1 1 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.964 -0.121 17811 873 1 1 . 1 1 167 167 GLU C C 167 179.000 179.000 179.568 -0.568 17811 874 1 1 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.490 0.315 17811 875 1 1 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.006 0.180 17811 876 1 1 . 1 1 167 167 GLU H H 167 7.408 7.408 7.812 -0.404 17811 877 1 1 . 1 1 168 168 GLN N N 168 118.334 118.334 118.738 -0.404 17811 878 1 1 . 1 1 168 168 GLN HA H 168 3.967 3.967 4.090 -0.123 17811 879 1 1 . 1 1 168 168 GLN C C 168 179.038 179.038 178.443 0.595 17811 880 1 1 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.360 1.103 17811 881 1 1 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.428 0.484 17811 882 1 1 . 1 1 168 168 GLN H H 168 8.298 8.298 7.731 0.567 17811 883 1 1 . 1 1 169 169 ALA N N 169 123.008 123.008 122.134 0.874 17811 884 1 1 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.014 0.048 17811 885 1 1 . 1 1 169 169 ALA C C 169 180.408 180.408 179.665 0.743 17811 886 1 1 . 1 1 169 169 ALA CA C 169 55.216 55.216 55.045 0.171 17811 887 1 1 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.152 1.032 17811 888 1 1 . 1 1 169 169 ALA H H 169 9.106 9.106 8.629 0.477 17811 889 1 1 . 1 1 170 170 ALA N N 170 125.275 125.275 120.710 4.565 17811 890 1 1 . 1 1 170 170 ALA HA H 170 3.930 3.930 4.098 -0.168 17811 891 1 1 . 1 1 170 170 ALA C C 170 178.831 178.831 179.242 -0.411 17811 892 1 1 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.724 1.245 17811 893 1 1 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.687 -1.557 17811 894 1 1 . 1 1 170 170 ALA H H 170 8.364 8.364 8.194 0.170 17811 895 1 1 . 1 1 171 171 ASP N N 171 120.702 120.702 119.112 1.590 17811 896 1 1 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.426 -0.173 17811 897 1 1 . 1 1 171 171 ASP C C 171 179.507 179.507 177.902 1.605 17811 898 1 1 . 1 1 171 171 ASP CA C 171 57.887 57.887 56.884 1.003 17811 899 1 1 . 1 1 171 171 ASP CB C 171 39.735 39.735 41.085 -1.350 17811 900 1 1 . 1 1 171 171 ASP H H 171 8.656 8.656 7.698 0.958 17811 901 1 1 . 1 1 172 172 ALA N N 172 122.759 122.759 121.830 0.929 17811 902 1 1 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.001 -0.061 17811 903 1 1 . 1 1 172 172 ALA C C 172 178.137 178.137 179.576 -1.439 17811 904 1 1 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.589 -0.579 17811 905 1 1 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.622 1.248 17811 906 1 1 . 1 1 172 172 ALA H H 172 9.380 9.380 8.477 0.903 17811 907 1 1 . 1 1 173 173 THR N N 173 115.154 115.154 112.022 3.132 17811 908 1 1 . 1 1 173 173 THR HA H 173 4.430 4.430 3.926 0.504 17811 909 1 1 . 1 1 173 173 THR C C 173 175.940 175.940 176.619 -0.679 17811 910 1 1 . 1 1 173 173 THR CA C 173 68.162 68.162 66.535 1.627 17811 911 1 1 . 1 1 173 173 THR CB C 173 68.162 68.162 68.457 -0.295 17811 912 1 1 . 1 1 173 173 THR H H 173 7.811 7.811 7.982 -0.171 17811 913 1 1 . 1 1 174 174 GLU N N 174 118.915 118.915 122.534 -3.619 17811 914 1 1 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.068 -0.424 17811 915 1 1 . 1 1 174 174 GLU C C 174 178.475 178.475 178.316 0.159 17811 916 1 1 . 1 1 174 174 GLU CA C 174 61.381 61.381 58.941 2.440 17811 917 1 1 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.609 0.605 17811 918 1 1 . 1 1 174 174 GLU H H 174 7.832 7.832 7.521 0.311 17811 919 1 1 . 1 1 175 175 LEU N N 175 119.457 119.457 121.542 -2.085 17811 920 1 1 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.105 -0.156 17811 921 1 1 . 1 1 175 175 LEU C C 175 178.268 178.268 178.533 -0.265 17811 922 1 1 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.511 0.719 17811 923 1 1 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.767 0.708 17811 924 1 1 . 1 1 175 175 LEU H H 175 8.144 8.144 8.181 -0.037 17811 925 1 1 . 1 1 176 176 LEU N N 176 120.413 120.413 120.492 -0.079 17811 926 1 1 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.421 -0.830 17811 927 1 1 . 1 1 176 176 LEU C C 176 177.799 177.799 178.349 -0.550 17811 928 1 1 . 1 1 176 176 LEU CA C 176 58.093 58.093 57.991 0.102 17811 929 1 1 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.786 -0.065 17811 930 1 1 . 1 1 176 176 LEU H H 176 7.970 7.970 8.046 -0.076 17811 931 1 1 . 1 1 177 177 ILE N N 177 115.277 115.277 116.013 -0.736 17811 932 1 1 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.814 0.113 17811 933 1 1 . 1 1 177 177 ILE C C 177 177.123 177.123 177.515 -0.392 17811 934 1 1 . 1 1 177 177 ILE CA C 177 65.148 65.148 61.789 3.359 17811 935 1 1 . 1 1 177 177 ILE CB C 177 38.433 38.433 36.963 1.470 17811 936 1 1 . 1 1 177 177 ILE H H 177 7.576 7.576 7.383 0.193 17811 937 1 1 . 1 1 178 178 ALA N N 178 118.887 118.887 121.855 -2.968 17811 938 1 1 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.010 1.012 17811 939 1 1 . 1 1 178 178 ALA C C 178 179.901 179.901 178.872 1.029 17811 940 1 1 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.309 0.359 17811 941 1 1 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.267 1.357 17811 942 1 1 . 1 1 178 178 ALA H H 178 8.237 8.237 7.837 0.400 17811 943 1 1 . 1 1 179 179 GLN N N 179 112.225 112.225 114.339 -2.114 17811 944 1 1 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.504 -0.064 17811 945 1 1 . 1 1 179 179 GLN C C 179 177.254 177.254 176.466 0.788 17811 946 1 1 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.659 -0.032 17811 947 1 1 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.210 -1.448 17811 948 1 1 . 1 1 179 179 GLN H H 179 8.646 8.646 8.498 0.148 17811 949 1 1 . 1 1 180 180 GLY N N 180 109.528 109.528 106.003 3.525 17811 950 1 1 . 1 1 180 180 GLY C C 180 173.095 173.095 173.804 -0.709 17811 951 1 1 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.368 -1.523 17811 952 1 1 . 1 1 180 180 GLY H H 180 7.811 7.811 7.498 0.313 17811 953 1 1 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.461 -0.749 17811 954 1 1 . 1 1 181 181 LEU C C 181 177.257 177.257 177.524 -0.267 17811 955 1 1 . 1 1 181 181 LEU CA C 181 59.463 59.463 57.098 2.365 17811 956 1 1 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.084 0.528 17811 957 1 1 . 1 1 182 182 GLU N N 182 116.836 116.836 120.803 -3.967 17811 958 1 1 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.141 0.086 17811 959 1 1 . 1 1 182 182 GLU C C 182 176.406 176.406 176.457 -0.051 17811 960 1 1 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.952 0.771 17811 961 1 1 . 1 1 182 182 GLU CB C 182 26.720 26.720 26.785 -0.065 17811 962 1 1 . 1 1 182 182 GLU H H 182 8.909 8.909 8.912 -0.003 17811 963 1 1 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.235 0.002 17811 964 1 1 . 1 1 183 183 PRO C C 183 179.992 179.992 178.041 1.951 17811 965 1 1 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.897 -0.680 17811 966 1 1 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.139 0.035 17811 967 1 1 . 1 1 184 184 ALA N N 184 118.151 118.151 120.781 -2.630 17811 968 1 1 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.082 -0.247 17811 969 1 1 . 1 1 184 184 ALA C C 184 179.526 179.526 179.309 0.217 17811 970 1 1 . 1 1 184 184 ALA CA C 184 55.490 55.490 54.997 0.493 17811 971 1 1 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.535 -0.377 17811 972 1 1 . 1 1 184 184 ALA H H 184 7.350 7.350 7.600 -0.250 17811 973 1 1 . 1 1 185 185 GLN N N 185 118.148 118.148 116.298 1.850 17811 974 1 1 . 1 1 185 185 GLN HA H 185 3.006 3.006 4.044 -1.038 17811 975 1 1 . 1 1 185 185 GLN C C 185 177.555 177.555 178.568 -1.013 17811 976 1 1 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.324 0.659 17811 977 1 1 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.514 0.261 17811 978 1 1 . 1 1 185 185 GLN H H 185 8.848 8.848 8.627 0.221 17811 979 1 1 . 1 1 186 186 ASN N N 186 115.032 115.032 118.911 -3.879 17811 980 1 1 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.636 -0.475 17811 981 1 1 . 1 1 186 186 ASN C C 186 177.160 177.160 177.460 -0.300 17811 982 1 1 . 1 1 186 186 ASN CA C 186 56.038 56.038 56.038 0.000 17811 983 1 1 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.422 -0.195 17811 984 1 1 . 1 1 186 186 ASN H H 186 7.537 7.537 8.507 -0.970 17811 985 1 1 . 1 1 187 187 THR N N 187 114.421 114.421 117.495 -3.074 17811 986 1 1 . 1 1 187 187 THR HA H 187 3.864 3.864 4.199 -0.335 17811 987 1 1 . 1 1 187 187 THR C C 187 174.739 174.739 176.509 -1.770 17811 988 1 1 . 1 1 187 187 THR CA C 187 65.422 65.422 66.902 -1.480 17811 989 1 1 . 1 1 187 187 THR CB C 187 69.532 69.532 69.138 0.394 17811 990 1 1 . 1 1 187 187 THR H H 187 7.120 7.120 7.642 -0.522 17811 991 1 1 . 1 1 188 188 VAL N N 188 119.580 119.580 116.741 2.839 17811 992 1 1 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.011 0.374 17811 993 1 1 . 1 1 188 188 VAL C C 188 178.043 178.043 176.633 1.410 17811 994 1 1 . 1 1 188 188 VAL CA C 188 64.326 64.326 64.905 -0.579 17811 995 1 1 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.300 0.558 17811 996 1 1 . 1 1 188 188 VAL H H 188 8.333 8.333 7.703 0.630 17811 997 1 1 . 1 1 189 189 HIS N N 189 115.949 115.949 118.610 -2.661 17811 998 1 1 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.556 0.114 17811 999 1 1 . 1 1 189 189 HIS C C 189 175.114 175.114 175.344 -0.230 17811 1000 1 1 . 1 1 189 189 HIS CA C 189 56.312 56.312 56.836 -0.524 17811 1001 1 1 . 1 1 189 189 HIS CB C 189 27.474 27.474 30.166 -2.692 17811 1002 1 1 . 1 1 189 189 HIS H H 189 8.674 8.674 7.659 1.015 17811 1003 1 1 . 1 1 190 190 ALA N N 190 120.346 120.346 120.984 -0.638 17811 1004 1 1 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.119 0.465 17811 1005 1 1 . 1 1 190 190 ALA C C 190 177.906 177.906 176.612 1.294 17811 1006 1 1 . 1 1 190 190 ALA CA C 190 51.791 51.791 53.051 -1.260 17811 1007 1 1 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.888 -0.223 17811 1008 1 1 . 1 1 190 190 ALA H H 190 6.983 6.983 7.606 -0.623 17811 1009 1 2 . 1 1 2 2 ALA N N 2 125.183 125.183 122.583 2.600 17811 1010 1 2 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.131 0.046 17811 1011 1 2 . 1 1 2 2 ALA C C 2 174.029 174.029 176.090 -2.061 17811 1012 1 2 . 1 1 2 2 ALA CA C 2 51.859 51.859 52.339 -0.480 17811 1013 1 2 . 1 1 2 2 ALA CB C 2 19.596 19.596 18.305 1.291 17811 1014 1 2 . 1 1 2 2 ALA H H 2 8.096 8.096 8.273 -0.177 17811 1015 1 2 . 1 1 3 3 GLU N N 3 113.075 113.075 123.917 -10.842 17811 1016 1 2 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.504 -0.305 17811 1017 1 2 . 1 1 3 3 GLU C C 3 175.812 175.812 174.858 0.954 17811 1018 1 2 . 1 1 3 3 GLU CA C 3 53.503 53.503 54.299 -0.796 17811 1019 1 2 . 1 1 3 3 GLU CB C 3 31.584 31.584 30.339 1.245 17811 1020 1 2 . 1 1 3 3 GLU H H 3 7.483 7.483 8.343 -0.860 17811 1021 1 2 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.566 0.209 17811 1022 1 2 . 1 1 4 4 PRO C C 4 174.213 174.213 176.009 -1.796 17811 1023 1 2 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.940 -0.669 17811 1024 1 2 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.838 2.691 17811 1025 1 2 . 1 1 5 5 LEU N N 5 120.181 120.181 123.795 -3.614 17811 1026 1 2 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.441 -0.141 17811 1027 1 2 . 1 1 5 5 LEU C C 5 174.926 174.926 176.518 -1.592 17811 1028 1 2 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.281 0.908 17811 1029 1 2 . 1 1 5 5 LEU CB C 5 45.694 45.694 41.997 3.697 17811 1030 1 2 . 1 1 5 5 LEU H H 5 7.953 7.953 8.254 -0.301 17811 1031 1 2 . 1 1 6 6 LEU N N 6 124.663 124.663 126.843 -2.180 17811 1032 1 2 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.799 0.488 17811 1033 1 2 . 1 1 6 6 LEU C C 6 173.293 173.293 175.323 -2.030 17811 1034 1 2 . 1 1 6 6 LEU CA C 6 52.887 52.887 54.050 -1.163 17811 1035 1 2 . 1 1 6 6 LEU CB C 6 45.694 45.694 42.848 2.846 17811 1036 1 2 . 1 1 6 6 LEU H H 6 8.456 8.456 8.634 -0.178 17811 1037 1 2 . 1 1 7 7 VAL N N 7 128.364 128.364 128.751 -0.387 17811 1038 1 2 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.657 0.342 17811 1039 1 2 . 1 1 7 7 VAL C C 7 174.006 174.006 174.592 -0.586 17811 1040 1 2 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.205 -0.852 17811 1041 1 2 . 1 1 7 7 VAL CB C 7 32.698 32.698 33.135 -0.437 17811 1042 1 2 . 1 1 7 7 VAL H H 7 9.456 9.456 8.976 0.480 17811 1043 1 2 . 1 1 8 8 VAL N N 8 126.000 126.000 121.757 4.243 17811 1044 1 2 . 1 1 8 8 VAL HA H 8 5.054 5.054 5.010 0.044 17811 1045 1 2 . 1 1 8 8 VAL C C 8 175.433 175.433 174.720 0.713 17811 1046 1 2 . 1 1 8 8 VAL CA C 8 59.737 59.737 58.642 1.095 17811 1047 1 2 . 1 1 8 8 VAL CB C 8 35.556 35.556 34.914 0.642 17811 1048 1 2 . 1 1 8 8 VAL H H 8 9.571 9.571 8.613 0.958 17811 1049 1 2 . 1 1 9 9 GLY N N 9 112.757 112.757 108.331 4.426 17811 1050 1 2 . 1 1 9 9 GLY C C 9 171.378 171.378 172.753 -1.375 17811 1051 1 2 . 1 1 9 9 GLY CA C 9 44.804 44.804 44.177 0.627 17811 1052 1 2 . 1 1 9 9 GLY H H 9 8.692 8.692 7.880 0.812 17811 1053 1 2 . 1 1 10 10 LEU N N 10 119.466 119.466 122.256 -2.790 17811 1054 1 2 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.433 0.300 17811 1055 1 2 . 1 1 10 10 LEU C C 10 175.715 175.715 176.995 -1.280 17811 1056 1 2 . 1 1 10 10 LEU CA C 10 54.188 54.188 55.107 -0.919 17811 1057 1 2 . 1 1 10 10 LEU CB C 10 42.543 42.543 42.112 0.431 17811 1058 1 2 . 1 1 10 10 LEU H H 10 7.147 7.147 8.054 -0.907 17811 1059 1 2 . 1 1 11 11 GLY N N 11 109.192 109.192 112.367 -3.175 17811 1060 1 2 . 1 1 11 11 GLY C C 11 170.233 170.233 173.150 -2.917 17811 1061 1 2 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.659 -0.266 17811 1062 1 2 . 1 1 11 11 GLY H H 11 7.281 7.281 8.254 -0.973 17811 1063 1 2 . 1 1 12 12 ASN N N 12 115.701 115.701 116.754 -1.053 17811 1064 1 2 . 1 1 12 12 ASN HA H 12 4.762 4.762 4.894 -0.132 17811 1065 1 2 . 1 1 12 12 ASN C C 12 173.746 173.746 173.956 -0.210 17811 1066 1 2 . 1 1 12 12 ASN CA C 12 49.941 49.941 49.920 0.021 17811 1067 1 2 . 1 1 12 12 ASN CB C 12 41.516 41.516 37.685 3.831 17811 1068 1 2 . 1 1 12 12 ASN H H 12 8.946 8.946 7.943 1.003 17811 1069 1 2 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.261 0.154 17811 1070 1 2 . 1 1 13 13 PRO C C 13 177.498 177.498 175.554 1.944 17811 1071 1 2 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.763 -0.509 17811 1072 1 2 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.074 -0.148 17811 1073 1 2 . 1 1 14 14 GLY N N 14 108.978 108.978 103.117 5.861 17811 1074 1 2 . 1 1 14 14 GLY C C 14 174.878 174.878 172.302 2.576 17811 1075 1 2 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.673 2.460 17811 1076 1 2 . 1 1 14 14 GLY H H 14 8.464 8.464 7.142 1.322 17811 1077 1 2 . 1 1 16 16 THR HA H 16 4.265 4.265 4.039 0.226 17811 1078 1 2 . 1 1 16 16 THR C C 16 175.848 175.848 176.293 -0.445 17811 1079 1 2 . 1 1 16 16 THR CA C 16 65.148 65.148 65.686 -0.537 17811 1080 1 2 . 1 1 16 16 THR CB C 16 68.505 68.505 67.798 0.707 17811 1081 1 2 . 1 1 17 17 TYR N N 17 117.133 117.133 120.410 -3.277 17811 1082 1 2 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.603 0.053 17811 1083 1 2 . 1 1 17 17 TYR C C 17 177.649 177.649 177.833 -0.184 17811 1084 1 2 . 1 1 17 17 TYR CA C 17 58.367 58.367 59.909 -1.542 17811 1085 1 2 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.285 2.039 17811 1086 1 2 . 1 1 17 17 TYR H H 17 7.025 7.025 8.194 -1.169 17811 1087 1 2 . 1 1 18 18 ALA N N 18 122.126 122.126 120.992 1.134 17811 1088 1 2 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.259 0.095 17811 1089 1 2 . 1 1 18 18 ALA C C 18 178.212 178.212 177.873 0.339 17811 1090 1 2 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.828 1.799 17811 1091 1 2 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.068 1.871 17811 1092 1 2 . 1 1 18 18 ALA H H 18 7.100 7.100 7.663 -0.563 17811 1093 1 2 . 1 1 19 19 LYS N N 19 115.311 115.311 115.614 -0.303 17811 1094 1 2 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.473 0.210 17811 1095 1 2 . 1 1 19 19 LYS C C 19 175.640 175.640 176.626 -0.986 17811 1096 1 2 . 1 1 19 19 LYS CA C 19 54.942 54.942 56.389 -1.447 17811 1097 1 2 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.523 -0.460 17811 1098 1 2 . 1 1 19 19 LYS H H 19 8.648 8.648 7.658 0.990 17811 1099 1 2 . 1 1 20 20 THR N N 20 108.478 108.478 112.212 -3.734 17811 1100 1 2 . 1 1 20 20 THR HA H 20 4.392 4.392 5.046 -0.654 17811 1101 1 2 . 1 1 20 20 THR C C 20 175.752 175.752 175.808 -0.056 17811 1102 1 2 . 1 1 20 20 THR CA C 20 60.970 60.970 59.455 1.515 17811 1103 1 2 . 1 1 20 20 THR CB C 20 72.932 72.932 70.789 2.143 17811 1104 1 2 . 1 1 20 20 THR H H 20 7.349 7.349 7.673 -0.324 17811 1105 1 2 . 1 1 21 21 ARG N N 21 117.638 117.638 118.962 -1.324 17811 1106 1 2 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.400 -0.694 17811 1107 1 2 . 1 1 21 21 ARG C C 21 177.480 177.480 176.919 0.561 17811 1108 1 2 . 1 1 21 21 ARG CA C 21 60.083 60.083 55.494 4.589 17811 1109 1 2 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.372 0.585 17811 1110 1 2 . 1 1 21 21 ARG H H 21 7.011 7.011 8.694 -1.683 17811 1111 1 2 . 1 1 22 22 HIS N N 22 115.074 115.074 117.639 -2.565 17811 1112 1 2 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.460 -0.599 17811 1113 1 2 . 1 1 22 22 HIS C C 22 173.274 173.274 174.473 -1.199 17811 1114 1 2 . 1 1 22 22 HIS CA C 22 53.434 53.434 57.503 -4.069 17811 1115 1 2 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.391 0.069 17811 1116 1 2 . 1 1 22 22 HIS H H 22 8.162 8.162 7.808 0.354 17811 1117 1 2 . 1 1 23 23 ASN N N 23 116.439 116.439 116.029 0.410 17811 1118 1 2 . 1 1 23 23 ASN HA H 23 4.785 4.785 5.211 -0.426 17811 1119 1 2 . 1 1 23 23 ASN C C 23 177.104 177.104 176.067 1.037 17811 1120 1 2 . 1 1 23 23 ASN CA C 23 53.024 53.024 51.816 1.208 17811 1121 1 2 . 1 1 23 23 ASN CB C 23 38.776 38.776 38.816 -0.040 17811 1122 1 2 . 1 1 23 23 ASN H H 23 7.730 7.730 7.951 -0.221 17811 1123 1 2 . 1 1 24 24 LEU N N 24 123.226 123.226 119.704 3.522 17811 1124 1 2 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.402 -0.056 17811 1125 1 2 . 1 1 24 24 LEU C C 24 178.681 178.681 178.530 0.151 17811 1126 1 2 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.429 2.102 17811 1127 1 2 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.170 3.812 17811 1128 1 2 . 1 1 24 24 LEU H H 24 7.939 7.939 7.792 0.147 17811 1129 1 2 . 1 1 25 25 GLY N N 25 104.146 104.146 108.316 -4.170 17811 1130 1 2 . 1 1 25 25 GLY C C 25 176.635 176.635 175.422 1.213 17811 1131 1 2 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.033 1.607 17811 1132 1 2 . 1 1 25 25 GLY H H 25 9.209 9.209 8.052 1.157 17811 1133 1 2 . 1 1 26 26 PHE N N 26 123.654 123.654 123.472 0.182 17811 1134 1 2 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.118 0.002 17811 1135 1 2 . 1 1 26 26 PHE C C 26 177.498 177.498 177.325 0.173 17811 1136 1 2 . 1 1 26 26 PHE CA C 26 58.778 58.778 61.151 -2.373 17811 1137 1 2 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.103 -1.834 17811 1138 1 2 . 1 1 26 26 PHE H H 26 7.089 7.089 8.135 -1.046 17811 1139 1 2 . 1 1 27 27 MET N N 27 117.508 117.508 118.094 -0.586 17811 1140 1 2 . 1 1 27 27 MET HA H 27 4.257 4.257 3.900 0.357 17811 1141 1 2 . 1 1 27 27 MET C C 27 179.977 179.977 178.305 1.672 17811 1142 1 2 . 1 1 27 27 MET CA C 27 59.839 59.839 59.493 0.346 17811 1143 1 2 . 1 1 27 27 MET CB C 27 33.377 33.377 32.661 0.716 17811 1144 1 2 . 1 1 27 27 MET H H 27 8.061 8.061 7.811 0.250 17811 1145 1 2 . 1 1 28 28 VAL N N 28 119.068 119.068 118.045 1.023 17811 1146 1 2 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.599 0.023 17811 1147 1 2 . 1 1 28 28 VAL C C 28 177.818 177.818 177.645 0.173 17811 1148 1 2 . 1 1 28 28 VAL CA C 28 65.970 65.970 65.393 0.577 17811 1149 1 2 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.810 0.253 17811 1150 1 2 . 1 1 28 28 VAL H H 28 8.325 8.325 7.676 0.649 17811 1151 1 2 . 1 1 29 29 ALA N N 29 123.327 123.327 121.348 1.979 17811 1152 1 2 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.878 0.150 17811 1153 1 2 . 1 1 29 29 ALA C C 29 178.831 178.831 178.904 -0.073 17811 1154 1 2 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.448 0.590 17811 1155 1 2 . 1 1 29 29 ALA CB C 29 17.473 17.473 17.975 -0.502 17811 1156 1 2 . 1 1 29 29 ALA H H 29 8.647 8.647 8.454 0.193 17811 1157 1 2 . 1 1 30 30 ASP N N 30 118.148 118.148 118.035 0.113 17811 1158 1 2 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.150 0.529 17811 1159 1 2 . 1 1 30 30 ASP C C 30 180.089 180.089 177.905 2.184 17811 1160 1 2 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.271 0.890 17811 1161 1 2 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.716 -1.050 17811 1162 1 2 . 1 1 30 30 ASP H H 30 8.574 8.574 7.487 1.087 17811 1163 1 2 . 1 1 31 31 VAL N N 31 123.410 123.410 116.010 7.400 17811 1164 1 2 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.852 -0.057 17811 1165 1 2 . 1 1 31 31 VAL C C 31 180.070 180.070 177.876 2.194 17811 1166 1 2 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.007 1.717 17811 1167 1 2 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.201 0.383 17811 1168 1 2 . 1 1 31 31 VAL H H 31 7.482 7.482 7.145 0.337 17811 1169 1 2 . 1 1 32 32 LEU N N 32 121.772 121.772 118.647 3.125 17811 1170 1 2 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.171 -0.305 17811 1171 1 2 . 1 1 32 32 LEU C C 32 178.249 178.249 178.042 0.207 17811 1172 1 2 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.686 0.681 17811 1173 1 2 . 1 1 32 32 LEU CB C 32 42.269 42.269 39.856 2.413 17811 1174 1 2 . 1 1 32 32 LEU H H 32 8.785 8.785 7.714 1.071 17811 1175 1 2 . 1 1 33 33 ALA N N 33 122.901 122.901 121.625 1.276 17811 1176 1 2 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.103 -0.493 17811 1177 1 2 . 1 1 33 33 ALA C C 33 179.808 179.808 179.567 0.241 17811 1178 1 2 . 1 1 33 33 ALA CA C 33 55.832 55.832 54.767 1.065 17811 1179 1 2 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.158 0.411 17811 1180 1 2 . 1 1 33 33 ALA H H 33 8.711 8.711 7.423 1.288 17811 1181 1 2 . 1 1 34 34 GLY N N 34 105.309 105.309 104.752 0.557 17811 1182 1 2 . 1 1 34 34 GLY C C 34 176.184 176.184 175.833 0.351 17811 1183 1 2 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.200 0.591 17811 1184 1 2 . 1 1 34 34 GLY H H 34 7.665 7.665 7.962 -0.297 17811 1185 1 2 . 1 1 35 35 ARG N N 35 121.117 121.117 119.864 1.253 17811 1186 1 2 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.068 0.047 17811 1187 1 2 . 1 1 35 35 ARG C C 35 178.812 178.812 177.879 0.933 17811 1188 1 2 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.752 1.642 17811 1189 1 2 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.490 0.176 17811 1190 1 2 . 1 1 35 35 ARG H H 35 7.623 7.623 7.348 0.275 17811 1191 1 2 . 1 1 36 36 ILE N N 36 120.413 120.413 116.440 3.973 17811 1192 1 2 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.056 -0.334 17811 1193 1 2 . 1 1 36 36 ILE C C 36 177.142 177.142 176.824 0.318 17811 1194 1 2 . 1 1 36 36 ILE CA C 36 64.600 64.600 61.776 2.824 17811 1195 1 2 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.282 0.494 17811 1196 1 2 . 1 1 36 36 ILE H H 36 7.950 7.950 7.623 0.327 17811 1197 1 2 . 1 1 37 37 GLY N N 37 107.419 107.419 107.033 0.386 17811 1198 1 2 . 1 1 37 37 GLY C C 37 174.307 174.307 174.654 -0.347 17811 1199 1 2 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.666 0.754 17811 1200 1 2 . 1 1 37 37 GLY H H 37 8.305 8.305 7.564 0.741 17811 1201 1 2 . 1 1 38 38 SER N N 38 113.320 113.320 117.825 -4.505 17811 1202 1 2 . 1 1 38 38 SER HA H 38 4.683 4.683 4.632 0.051 17811 1203 1 2 . 1 1 38 38 SER C C 38 171.472 171.472 173.427 -1.955 17811 1204 1 2 . 1 1 38 38 SER CA C 38 56.654 56.654 58.003 -1.349 17811 1205 1 2 . 1 1 38 38 SER CB C 38 66.244 66.244 64.455 1.789 17811 1206 1 2 . 1 1 38 38 SER H H 38 7.101 7.101 7.741 -0.640 17811 1207 1 2 . 1 1 39 39 ALA N N 39 123.838 123.838 125.994 -2.156 17811 1208 1 2 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.803 -0.401 17811 1209 1 2 . 1 1 39 39 ALA C C 39 177.708 177.708 176.302 1.406 17811 1210 1 2 . 1 1 39 39 ALA CA C 39 50.695 50.695 51.321 -0.625 17811 1211 1 2 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.312 0.312 17811 1212 1 2 . 1 1 39 39 ALA H H 39 8.032 8.032 8.192 -0.160 17811 1213 1 2 . 1 1 40 40 PHE N N 40 118.117 118.117 120.301 -2.184 17811 1214 1 2 . 1 1 40 40 PHE HA H 40 4.039 4.039 4.724 -0.685 17811 1215 1 2 . 1 1 40 40 PHE C C 40 176.672 176.672 174.533 2.139 17811 1216 1 2 . 1 1 40 40 PHE CA C 40 59.942 59.942 56.573 3.369 17811 1217 1 2 . 1 1 40 40 PHE CB C 40 40.694 40.694 39.948 0.746 17811 1218 1 2 . 1 1 40 40 PHE H H 40 8.066 8.066 8.499 -0.433 17811 1219 1 2 . 1 1 41 41 LYS N N 41 120.915 120.915 121.233 -0.318 17811 1220 1 2 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.281 0.481 17811 1221 1 2 . 1 1 41 41 LYS C C 41 176.034 176.034 174.344 1.690 17811 1222 1 2 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.691 0.045 17811 1223 1 2 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.876 1.435 17811 1224 1 2 . 1 1 41 41 LYS H H 41 8.593 8.593 8.020 0.573 17811 1225 1 2 . 1 1 42 42 VAL N N 42 123.504 123.504 120.382 3.122 17811 1226 1 2 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.152 -0.320 17811 1227 1 2 . 1 1 42 42 VAL C C 42 175.377 175.377 174.681 0.696 17811 1228 1 2 . 1 1 42 42 VAL CA C 42 64.874 64.874 61.627 3.247 17811 1229 1 2 . 1 1 42 42 VAL CB C 42 31.926 31.926 32.334 -0.407 17811 1230 1 2 . 1 1 42 42 VAL H H 42 8.707 8.707 8.257 0.450 17811 1231 1 2 . 1 1 43 43 HIS N N 43 132.195 132.195 128.954 3.241 17811 1232 1 2 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.692 -0.167 17811 1233 1 2 . 1 1 43 43 HIS C C 43 175.104 175.104 174.310 0.794 17811 1234 1 2 . 1 1 43 43 HIS CA C 43 56.106 56.106 54.739 1.367 17811 1235 1 2 . 1 1 43 43 HIS CB C 43 31.721 31.721 30.932 0.789 17811 1236 1 2 . 1 1 43 43 HIS H H 43 9.354 9.354 8.639 0.715 17811 1237 1 2 . 1 1 45 45 LYS HA H 45 3.940 3.940 3.944 -0.004 17811 1238 1 2 . 1 1 45 45 LYS C C 45 177.001 177.001 176.677 0.324 17811 1239 1 2 . 1 1 45 45 LYS CA C 45 58.367 58.367 56.955 1.412 17811 1240 1 2 . 1 1 45 45 LYS CB C 45 32.200 32.200 33.002 -0.802 17811 1241 1 2 . 1 1 46 46 SER N N 46 111.577 111.577 113.478 -1.901 17811 1242 1 2 . 1 1 46 46 SER HA H 46 4.414 4.414 4.324 0.090 17811 1243 1 2 . 1 1 46 46 SER C C 46 174.926 174.926 175.627 -0.701 17811 1244 1 2 . 1 1 46 46 SER CA C 46 60.011 60.011 58.957 1.054 17811 1245 1 2 . 1 1 46 46 SER CB C 46 65.354 65.354 63.864 1.490 17811 1246 1 2 . 1 1 46 46 SER H H 46 7.746 7.746 8.471 -0.725 17811 1247 1 2 . 1 1 47 47 GLY N N 47 112.402 112.402 108.742 3.660 17811 1248 1 2 . 1 1 47 47 GLY C C 47 173.180 173.180 173.575 -0.395 17811 1249 1 2 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.957 0.258 17811 1250 1 2 . 1 1 47 47 GLY H H 47 8.692 8.692 8.386 0.306 17811 1251 1 2 . 1 1 48 48 ALA N N 48 120.322 120.322 122.113 -1.791 17811 1252 1 2 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.552 -0.136 17811 1253 1 2 . 1 1 48 48 ALA C C 48 175.621 175.621 175.618 0.003 17811 1254 1 2 . 1 1 48 48 ALA CA C 48 51.585 51.585 51.017 0.568 17811 1255 1 2 . 1 1 48 48 ALA CB C 48 19.802 19.802 20.852 -1.050 17811 1256 1 2 . 1 1 48 48 ALA H H 48 7.740 7.740 7.673 0.067 17811 1257 1 2 . 1 1 49 49 GLU N N 49 116.907 116.907 118.020 -1.113 17811 1258 1 2 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.831 0.095 17811 1259 1 2 . 1 1 49 49 GLU C C 49 176.184 176.184 175.478 0.706 17811 1260 1 2 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.958 -1.400 17811 1261 1 2 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.852 1.006 17811 1262 1 2 . 1 1 49 49 GLU H H 49 8.262 8.262 8.311 -0.049 17811 1263 1 2 . 1 1 50 50 VAL N N 50 117.403 117.403 122.680 -5.277 17811 1264 1 2 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.135 0.705 17811 1265 1 2 . 1 1 50 50 VAL C C 50 176.053 176.053 174.887 1.166 17811 1266 1 2 . 1 1 50 50 VAL CA C 50 60.011 60.011 61.088 -1.077 17811 1267 1 2 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.294 2.797 17811 1268 1 2 . 1 1 50 50 VAL H H 50 9.223 9.223 8.209 1.014 17811 1269 1 2 . 1 1 51 51 VAL N N 51 125.278 125.278 126.710 -1.432 17811 1270 1 2 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.489 -0.338 17811 1271 1 2 . 1 1 51 51 VAL C C 51 173.706 173.706 174.106 -0.400 17811 1272 1 2 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.258 1.192 17811 1273 1 2 . 1 1 51 51 VAL CB C 51 35.899 35.899 36.027 -0.128 17811 1274 1 2 . 1 1 51 51 VAL H H 51 9.266 9.266 9.166 0.100 17811 1275 1 2 . 1 1 52 52 THR N N 52 115.674 115.674 124.140 -8.466 17811 1276 1 2 . 1 1 52 52 THR HA H 52 5.168 5.168 5.035 0.133 17811 1277 1 2 . 1 1 52 52 THR C C 52 173.669 173.669 174.175 -0.506 17811 1278 1 2 . 1 1 52 52 THR CA C 52 58.709 58.709 60.671 -1.962 17811 1279 1 2 . 1 1 52 52 THR CB C 52 70.628 70.628 69.049 1.579 17811 1280 1 2 . 1 1 52 52 THR H H 52 8.243 8.243 8.387 -0.144 17811 1281 1 2 . 1 1 53 53 GLY N N 53 108.122 108.122 112.735 -4.613 17811 1282 1 2 . 1 1 53 53 GLY C C 53 170.721 170.721 172.163 -1.442 17811 1283 1 2 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.248 1.241 17811 1284 1 2 . 1 1 53 53 GLY H H 53 7.908 7.908 8.041 -0.133 17811 1285 1 2 . 1 1 54 54 ARG N N 54 120.750 120.750 121.775 -1.025 17811 1286 1 2 . 1 1 54 54 ARG HA H 54 5.105 5.105 4.947 0.158 17811 1287 1 2 . 1 1 54 54 ARG C C 54 175.095 175.095 175.283 -0.188 17811 1288 1 2 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.371 -0.361 17811 1289 1 2 . 1 1 54 54 ARG CB C 54 32.474 32.474 30.069 2.405 17811 1290 1 2 . 1 1 54 54 ARG H H 54 8.379 8.379 8.537 -0.158 17811 1291 1 2 . 1 1 55 55 LEU N N 55 123.787 123.787 121.246 2.541 17811 1292 1 2 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.805 -0.378 17811 1293 1 2 . 1 1 55 55 LEU C C 55 175.058 175.058 176.995 -1.937 17811 1294 1 2 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.364 0.208 17811 1295 1 2 . 1 1 55 55 LEU CB C 55 45.968 45.968 43.331 2.636 17811 1296 1 2 . 1 1 55 55 LEU H H 55 8.777 8.777 7.800 0.977 17811 1297 1 2 . 1 1 56 56 ALA N N 56 127.548 127.548 124.479 3.069 17811 1298 1 2 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.897 0.033 17811 1299 1 2 . 1 1 56 56 ALA C C 56 177.855 177.855 177.392 0.463 17811 1300 1 2 . 1 1 56 56 ALA CA C 56 53.092 53.092 54.254 -1.162 17811 1301 1 2 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.913 -0.303 17811 1302 1 2 . 1 1 56 56 ALA H H 56 9.275 9.275 9.602 -0.327 17811 1303 1 2 . 1 1 57 57 GLY N N 57 103.215 103.215 104.913 -1.698 17811 1304 1 2 . 1 1 57 57 GLY C C 57 174.157 174.157 174.424 -0.267 17811 1305 1 2 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.432 0.262 17811 1306 1 2 . 1 1 57 57 GLY H H 57 8.507 8.507 8.574 -0.067 17811 1307 1 2 . 1 1 58 58 THR N N 58 119.802 119.802 119.215 0.587 17811 1308 1 2 . 1 1 58 58 THR HA H 58 4.411 4.411 4.554 -0.143 17811 1309 1 2 . 1 1 58 58 THR C C 58 172.711 172.711 174.139 -1.428 17811 1310 1 2 . 1 1 58 58 THR CA C 58 62.134 62.134 61.136 0.998 17811 1311 1 2 . 1 1 58 58 THR CB C 58 71.313 71.313 70.136 1.177 17811 1312 1 2 . 1 1 58 58 THR H H 58 8.017 8.017 7.730 0.287 17811 1313 1 2 . 1 1 59 59 SER N N 59 122.901 122.901 122.268 0.633 17811 1314 1 2 . 1 1 59 59 SER HA H 59 4.492 4.492 4.689 -0.197 17811 1315 1 2 . 1 1 59 59 SER C C 59 173.537 173.537 174.459 -0.922 17811 1316 1 2 . 1 1 59 59 SER CA C 59 59.600 59.600 58.948 0.652 17811 1317 1 2 . 1 1 59 59 SER CB C 59 63.367 63.367 63.134 0.233 17811 1318 1 2 . 1 1 59 59 SER H H 59 9.013 9.013 8.779 0.234 17811 1319 1 2 . 1 1 60 60 VAL N N 60 119.354 119.354 120.563 -1.209 17811 1320 1 2 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.412 0.648 17811 1321 1 2 . 1 1 60 60 VAL C C 60 174.926 174.926 173.944 0.982 17811 1322 1 2 . 1 1 60 60 VAL CA C 60 59.326 59.326 60.006 -0.680 17811 1323 1 2 . 1 1 60 60 VAL CB C 60 36.378 36.378 33.577 2.801 17811 1324 1 2 . 1 1 60 60 VAL H H 60 8.836 8.836 9.040 -0.204 17811 1325 1 2 . 1 1 61 61 VAL N N 61 124.480 124.480 120.546 3.934 17811 1326 1 2 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.228 -0.063 17811 1327 1 2 . 1 1 61 61 VAL C C 61 173.218 173.218 173.817 -0.599 17811 1328 1 2 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.843 1.086 17811 1329 1 2 . 1 1 61 61 VAL CB C 61 32.474 32.474 32.468 0.006 17811 1330 1 2 . 1 1 61 61 VAL H H 61 8.507 8.507 8.863 -0.356 17811 1331 1 2 . 1 1 62 62 LEU N N 62 129.499 129.499 130.124 -0.625 17811 1332 1 2 . 1 1 62 62 LEU HA H 62 5.472 5.472 5.134 0.338 17811 1333 1 2 . 1 1 62 62 LEU C C 62 175.095 175.095 174.544 0.551 17811 1334 1 2 . 1 1 62 62 LEU CA C 62 52.750 52.750 52.488 0.262 17811 1335 1 2 . 1 1 62 62 LEU CB C 62 44.872 44.872 43.903 0.970 17811 1336 1 2 . 1 1 62 62 LEU H H 62 9.202 9.202 8.764 0.438 17811 1337 1 2 . 1 1 63 63 ALA N N 63 126.661 126.661 130.408 -3.747 17811 1338 1 2 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.120 0.752 17811 1339 1 2 . 1 1 63 63 ALA C C 63 175.583 175.583 176.022 -0.439 17811 1340 1 2 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.245 0.039 17811 1341 1 2 . 1 1 63 63 ALA CB C 63 25.556 25.556 21.744 3.812 17811 1342 1 2 . 1 1 63 63 ALA H H 63 9.567 9.567 8.805 0.762 17811 1343 1 2 . 1 1 64 64 LYS N N 64 117.967 117.967 123.508 -5.541 17811 1344 1 2 . 1 1 64 64 LYS HA H 64 5.000 5.000 4.971 0.029 17811 1345 1 2 . 1 1 64 64 LYS C C 64 174.057 174.057 174.196 -0.139 17811 1346 1 2 . 1 1 64 64 LYS CA C 64 53.298 53.298 53.325 -0.027 17811 1347 1 2 . 1 1 64 64 LYS CB C 64 34.734 34.734 33.130 1.603 17811 1348 1 2 . 1 1 64 64 LYS H H 64 8.422 8.422 8.641 -0.219 17811 1349 1 2 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.414 0.120 17811 1350 1 2 . 1 1 65 65 PRO C C 65 174.946 174.946 176.406 -1.460 17811 1351 1 2 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.882 -0.200 17811 1352 1 2 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.525 0.223 17811 1353 1 2 . 1 1 66 66 ARG N N 66 121.057 121.057 121.168 -0.111 17811 1354 1 2 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.661 -0.144 17811 1355 1 2 . 1 1 66 66 ARG C C 66 175.264 175.264 174.923 0.341 17811 1356 1 2 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.185 -1.244 17811 1357 1 2 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.682 0.559 17811 1358 1 2 . 1 1 66 66 ARG H H 66 9.377 9.377 8.749 0.628 17811 1359 1 2 . 1 1 67 67 CYS N N 67 115.093 115.093 116.224 -1.131 17811 1360 1 2 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.461 0.245 17811 1361 1 2 . 1 1 67 67 CYS C C 67 172.092 172.092 174.303 -2.211 17811 1362 1 2 . 1 1 67 67 CYS CA C 67 54.325 54.325 56.133 -1.808 17811 1363 1 2 . 1 1 67 67 CYS CB C 67 30.899 30.899 29.776 1.123 17811 1364 1 2 . 1 1 67 67 CYS H H 67 7.303 7.303 7.698 -0.395 17811 1365 1 2 . 1 1 68 68 TYR N N 68 115.888 115.888 119.030 -3.142 17811 1366 1 2 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.189 0.231 17811 1367 1 2 . 1 1 68 68 TYR C C 68 178.080 178.080 177.804 0.276 17811 1368 1 2 . 1 1 68 68 TYR CA C 68 59.874 59.874 58.557 1.317 17811 1369 1 2 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.761 -0.396 17811 1370 1 2 . 1 1 68 68 TYR H H 68 8.201 8.201 8.153 0.048 17811 1371 1 2 . 1 1 69 69 MET N N 69 119.802 119.802 117.045 2.757 17811 1372 1 2 . 1 1 69 69 MET HA H 69 4.137 4.137 4.149 -0.012 17811 1373 1 2 . 1 1 69 69 MET C C 69 175.076 175.076 177.765 -2.689 17811 1374 1 2 . 1 1 69 69 MET CA C 69 58.641 58.641 59.347 -0.706 17811 1375 1 2 . 1 1 69 69 MET CB C 69 33.090 33.090 32.292 0.798 17811 1376 1 2 . 1 1 69 69 MET H H 69 8.367 8.367 8.498 -0.131 17811 1377 1 2 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.523 -0.228 17811 1378 1 2 . 1 1 70 70 ASN C C 70 175.274 175.274 176.799 -1.525 17811 1379 1 2 . 1 1 70 70 ASN CA C 70 55.284 55.284 56.161 -0.877 17811 1380 1 2 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.259 -0.785 17811 1381 1 2 . 1 1 71 71 GLU N N 71 117.111 117.111 118.826 -1.715 17811 1382 1 2 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.199 0.555 17811 1383 1 2 . 1 1 71 71 GLU C C 71 176.823 176.823 178.168 -1.345 17811 1384 1 2 . 1 1 71 71 GLU CA C 71 55.421 55.421 57.769 -2.348 17811 1385 1 2 . 1 1 71 71 GLU CB C 71 31.036 31.036 29.061 1.975 17811 1386 1 2 . 1 1 71 71 GLU H H 71 8.007 8.007 7.619 0.388 17811 1387 1 2 . 1 1 72 72 SER N N 72 115.827 115.827 115.005 0.822 17811 1388 1 2 . 1 1 72 72 SER HA H 72 4.726 4.726 4.188 0.538 17811 1389 1 2 . 1 1 72 72 SER C C 72 177.029 177.029 176.480 0.549 17811 1390 1 2 . 1 1 72 72 SER CA C 72 63.778 63.778 61.828 1.950 17811 1391 1 2 . 1 1 72 72 SER CB C 72 63.890 63.890 62.619 1.271 17811 1392 1 2 . 1 1 72 72 SER H H 72 7.703 7.703 7.786 -0.083 17811 1393 1 2 . 1 1 73 73 GLY N N 73 109.887 109.887 108.403 1.484 17811 1394 1 2 . 1 1 73 73 GLY C C 73 173.988 173.988 175.874 -1.886 17811 1395 1 2 . 1 1 73 73 GLY CA C 73 48.434 48.434 45.980 2.454 17811 1396 1 2 . 1 1 73 73 GLY H H 73 9.527 9.527 8.276 1.251 17811 1397 1 2 . 1 1 74 74 ARG N N 74 119.068 119.068 121.117 -2.049 17811 1398 1 2 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.184 -0.005 17811 1399 1 2 . 1 1 74 74 ARG C C 74 176.973 176.973 178.506 -1.533 17811 1400 1 2 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.863 0.161 17811 1401 1 2 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.967 -0.301 17811 1402 1 2 . 1 1 74 74 ARG H H 74 8.207 8.207 7.689 0.518 17811 1403 1 2 . 1 1 75 75 GLN N N 75 113.474 113.474 119.220 -5.746 17811 1404 1 2 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.170 0.453 17811 1405 1 2 . 1 1 75 75 GLN C C 75 175.840 175.840 177.359 -1.519 17811 1406 1 2 . 1 1 75 75 GLN CA C 75 57.613 57.613 58.053 -0.440 17811 1407 1 2 . 1 1 75 75 GLN CB C 75 29.597 29.597 28.164 1.433 17811 1408 1 2 . 1 1 75 75 GLN H H 75 7.260 7.260 7.883 -0.623 17811 1409 1 2 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.788 -0.358 17811 1410 1 2 . 1 1 76 76 VAL C C 76 176.463 176.463 177.715 -1.252 17811 1411 1 2 . 1 1 76 76 VAL CA C 76 66.998 66.998 64.857 2.141 17811 1412 1 2 . 1 1 76 76 VAL CB C 76 32.474 32.474 30.553 1.921 17811 1413 1 2 . 1 1 77 77 GLY N N 77 104.918 104.918 109.220 -4.302 17811 1414 1 2 . 1 1 77 77 GLY C C 77 175.472 175.472 173.808 1.664 17811 1415 1 2 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.154 0.075 17811 1416 1 2 . 1 1 77 77 GLY H H 77 8.541 8.541 7.800 0.741 17811 1417 1 2 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.399 -0.182 17811 1418 1 2 . 1 1 78 78 PRO C C 78 179.208 179.208 178.390 0.818 17811 1419 1 2 . 1 1 78 78 PRO CA C 78 65.148 65.148 64.995 0.153 17811 1420 1 2 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.438 0.830 17811 1421 1 2 . 1 1 79 79 LEU N N 79 119.649 119.649 120.297 -0.648 17811 1422 1 2 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.401 -0.447 17811 1423 1 2 . 1 1 79 79 LEU C C 79 177.367 177.367 178.971 -1.604 17811 1424 1 2 . 1 1 79 79 LEU CA C 79 58.504 58.504 57.504 1.000 17811 1425 1 2 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.095 1.791 17811 1426 1 2 . 1 1 79 79 LEU H H 79 7.466 7.466 7.686 -0.220 17811 1427 1 2 . 1 1 80 80 ALA N N 80 120.470 120.470 120.297 0.173 17811 1428 1 2 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.024 -0.136 17811 1429 1 2 . 1 1 80 80 ALA C C 80 179.939 179.939 179.190 0.749 17811 1430 1 2 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.520 -0.030 17811 1431 1 2 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.326 -0.716 17811 1432 1 2 . 1 1 80 80 ALA H H 80 8.279 8.279 8.435 -0.156 17811 1433 1 2 . 1 1 81 81 LYS N N 81 116.408 116.408 118.704 -2.296 17811 1434 1 2 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.060 0.034 17811 1435 1 2 . 1 1 81 81 LYS C C 81 179.920 179.920 178.537 1.383 17811 1436 1 2 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.509 0.406 17811 1437 1 2 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.142 0.195 17811 1438 1 2 . 1 1 81 81 LYS H H 81 7.798 7.798 7.528 0.270 17811 1439 1 2 . 1 1 82 82 PHE N N 82 121.199 121.199 117.497 3.702 17811 1440 1 2 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.250 -0.215 17811 1441 1 2 . 1 1 82 82 PHE C C 82 177.254 177.254 177.769 -0.515 17811 1442 1 2 . 1 1 82 82 PHE CA C 82 61.449 61.449 61.680 -0.231 17811 1443 1 2 . 1 1 82 82 PHE CB C 82 38.913 38.913 39.373 -0.460 17811 1444 1 2 . 1 1 82 82 PHE H H 82 8.489 8.489 7.631 0.858 17811 1445 1 2 . 1 1 83 83 TYR N N 83 114.176 114.176 114.307 -0.131 17811 1446 1 2 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.538 -0.134 17811 1447 1 2 . 1 1 83 83 TYR C C 83 173.368 173.368 175.753 -2.385 17811 1448 1 2 . 1 1 83 83 TYR CA C 83 59.600 59.600 58.896 0.704 17811 1449 1 2 . 1 1 83 83 TYR CB C 83 39.050 39.050 39.488 -0.438 17811 1450 1 2 . 1 1 83 83 TYR H H 83 7.634 7.634 8.032 -0.398 17811 1451 1 2 . 1 1 84 84 SER N N 84 114.910 114.910 114.099 0.811 17811 1452 1 2 . 1 1 84 84 SER HA H 84 4.020 4.020 4.347 -0.327 17811 1453 1 2 . 1 1 84 84 SER C C 84 173.518 173.518 174.071 -0.553 17811 1454 1 2 . 1 1 84 84 SER CA C 84 58.367 58.367 58.922 -0.555 17811 1455 1 2 . 1 1 84 84 SER CB C 84 61.244 61.244 62.086 -0.842 17811 1456 1 2 . 1 1 84 84 SER H H 84 7.674 7.674 7.883 -0.209 17811 1457 1 2 . 1 1 85 85 VAL N N 85 120.291 120.291 115.233 5.058 17811 1458 1 2 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.422 -0.465 17811 1459 1 2 . 1 1 85 85 VAL C C 85 174.171 174.171 174.833 -0.662 17811 1460 1 2 . 1 1 85 85 VAL CA C 85 59.326 59.326 60.059 -0.733 17811 1461 1 2 . 1 1 85 85 VAL CB C 85 33.296 33.296 31.296 2.000 17811 1462 1 2 . 1 1 85 85 VAL H H 85 8.456 8.456 7.660 0.796 17811 1463 1 2 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.108 0.248 17811 1464 1 2 . 1 1 89 89 GLN C C 89 179.299 179.299 176.552 2.747 17811 1465 1 2 . 1 1 89 89 GLN CA C 89 55.832 55.832 55.321 0.511 17811 1466 1 2 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.087 0.168 17811 1467 1 2 . 1 1 90 90 ILE N N 90 119.343 119.343 123.154 -3.811 17811 1468 1 2 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.047 0.015 17811 1469 1 2 . 1 1 90 90 ILE C C 90 175.020 175.020 174.625 0.395 17811 1470 1 2 . 1 1 90 90 ILE CA C 90 60.627 60.627 61.877 -1.250 17811 1471 1 2 . 1 1 90 90 ILE CB C 90 38.365 38.365 37.868 0.497 17811 1472 1 2 . 1 1 90 90 ILE H H 90 7.728 7.728 7.560 0.168 17811 1473 1 2 . 1 1 91 91 VAL N N 91 127.979 127.979 129.316 -1.337 17811 1474 1 2 . 1 1 91 91 VAL HA H 91 4.454 4.454 5.318 -0.864 17811 1475 1 2 . 1 1 91 91 VAL C C 91 174.119 174.119 173.655 0.464 17811 1476 1 2 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.015 1.475 17811 1477 1 2 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.830 -0.233 17811 1478 1 2 . 1 1 91 91 VAL H H 91 9.358 9.358 7.833 1.525 17811 1479 1 2 . 1 1 92 92 VAL N N 92 127.153 127.153 127.849 -0.696 17811 1480 1 2 . 1 1 92 92 VAL HA H 92 4.155 4.155 5.372 -1.217 17811 1481 1 2 . 1 1 92 92 VAL C C 92 174.326 174.326 173.833 0.493 17811 1482 1 2 . 1 1 92 92 VAL CA C 92 61.107 61.107 58.743 2.364 17811 1483 1 2 . 1 1 92 92 VAL CB C 92 33.570 33.570 35.577 -2.007 17811 1484 1 2 . 1 1 92 92 VAL H H 92 9.268 9.268 7.910 1.358 17811 1485 1 2 . 1 1 93 93 ILE N N 93 128.894 128.894 128.491 0.403 17811 1486 1 2 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.604 0.396 17811 1487 1 2 . 1 1 93 93 ILE C C 93 174.945 174.945 173.632 1.313 17811 1488 1 2 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.427 0.543 17811 1489 1 2 . 1 1 93 93 ILE CB C 93 39.461 39.461 38.552 0.909 17811 1490 1 2 . 1 1 93 93 ILE H H 93 9.198 9.198 8.214 0.984 17811 1491 1 2 . 1 1 94 94 HIS N N 94 121.624 121.624 127.884 -6.260 17811 1492 1 2 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.983 0.441 17811 1493 1 2 . 1 1 94 94 HIS C C 94 171.510 171.510 173.023 -1.513 17811 1494 1 2 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.662 -0.474 17811 1495 1 2 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.184 -1.436 17811 1496 1 2 . 1 1 94 94 HIS H H 94 8.762 8.762 9.195 -0.433 17811 1497 1 2 . 1 1 95 95 ASP N N 95 115.353 115.353 121.164 -5.811 17811 1498 1 2 . 1 1 95 95 ASP HA H 95 5.104 5.104 5.061 0.043 17811 1499 1 2 . 1 1 95 95 ASP C C 95 177.555 177.555 175.417 2.138 17811 1500 1 2 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.278 -0.459 17811 1501 1 2 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.576 0.488 17811 1502 1 2 . 1 1 95 95 ASP H H 95 10.045 10.045 7.889 2.156 17811 1503 1 2 . 1 1 96 96 GLU N N 96 125.562 125.562 119.499 6.063 17811 1504 1 2 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.799 0.435 17811 1505 1 2 . 1 1 96 96 GLU C C 96 175.245 175.245 176.417 -1.172 17811 1506 1 2 . 1 1 96 96 GLU CA C 96 54.599 54.599 55.139 -0.540 17811 1507 1 2 . 1 1 96 96 GLU CB C 96 34.255 34.255 33.328 0.927 17811 1508 1 2 . 1 1 96 96 GLU H H 96 9.100 9.100 8.599 0.501 17811 1509 1 2 . 1 1 97 97 LEU N N 97 130.882 130.882 124.027 6.855 17811 1510 1 2 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.939 -0.431 17811 1511 1 2 . 1 1 97 97 LEU C C 97 177.911 177.911 177.864 0.047 17811 1512 1 2 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.003 0.925 17811 1513 1 2 . 1 1 97 97 LEU CB C 97 43.639 43.639 42.235 1.404 17811 1514 1 2 . 1 1 97 97 LEU H H 97 8.774 8.774 8.761 0.013 17811 1515 1 2 . 1 1 98 98 ASP N N 98 114.282 114.282 120.889 -6.607 17811 1516 1 2 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.303 0.162 17811 1517 1 2 . 1 1 98 98 ASP C C 98 175.339 175.339 176.062 -0.723 17811 1518 1 2 . 1 1 98 98 ASP CA C 98 55.969 55.969 57.506 -1.537 17811 1519 1 2 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.369 -0.744 17811 1520 1 2 . 1 1 98 98 ASP H H 98 8.729 8.729 8.678 0.051 17811 1521 1 2 . 1 1 99 99 ILE N N 99 116.163 116.163 111.649 4.514 17811 1522 1 2 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.453 -0.567 17811 1523 1 2 . 1 1 99 99 ILE C C 99 174.044 174.044 174.783 -0.739 17811 1524 1 2 . 1 1 99 99 ILE CA C 99 59.394 59.394 58.785 0.609 17811 1525 1 2 . 1 1 99 99 ILE CB C 99 40.968 40.968 41.143 -0.175 17811 1526 1 2 . 1 1 99 99 ILE H H 99 7.149 7.149 7.407 -0.258 17811 1527 1 2 . 1 1 100 100 ASP N N 100 122.370 122.370 120.650 1.720 17811 1528 1 2 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.415 -0.114 17811 1529 1 2 . 1 1 100 100 ASP C C 100 175.321 175.321 175.899 -0.578 17811 1530 1 2 . 1 1 100 100 ASP CA C 100 55.216 55.216 52.501 2.715 17811 1531 1 2 . 1 1 100 100 ASP CB C 100 41.584 41.584 42.203 -0.619 17811 1532 1 2 . 1 1 100 100 ASP H H 100 8.109 8.109 8.293 -0.184 17811 1533 1 2 . 1 1 101 101 PHE N N 101 119.674 119.674 116.943 2.731 17811 1534 1 2 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.197 -0.164 17811 1535 1 2 . 1 1 101 101 PHE C C 101 176.654 176.654 177.101 -0.447 17811 1536 1 2 . 1 1 101 101 PHE CA C 101 59.463 59.463 59.952 -0.489 17811 1537 1 2 . 1 1 101 101 PHE CB C 101 39.324 39.324 38.039 1.285 17811 1538 1 2 . 1 1 101 101 PHE H H 101 8.598 8.598 8.516 0.082 17811 1539 1 2 . 1 1 102 102 GLY N N 102 116.800 116.800 112.495 4.305 17811 1540 1 2 . 1 1 102 102 GLY C C 102 172.749 172.749 174.770 -2.021 17811 1541 1 2 . 1 1 102 102 GLY CA C 102 45.215 45.215 44.998 0.217 17811 1542 1 2 . 1 1 102 102 GLY H H 102 8.550 8.550 8.853 -0.303 17811 1543 1 2 . 1 1 103 103 ARG N N 103 118.304 118.304 121.925 -3.621 17811 1544 1 2 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.665 -0.127 17811 1545 1 2 . 1 1 103 103 ARG C C 103 175.114 175.114 175.030 0.084 17811 1546 1 2 . 1 1 103 103 ARG CA C 103 54.736 54.736 54.352 0.384 17811 1547 1 2 . 1 1 103 103 ARG CB C 103 31.310 31.310 28.690 2.620 17811 1548 1 2 . 1 1 103 103 ARG H H 103 7.730 7.730 7.750 -0.020 17811 1549 1 2 . 1 1 104 104 ILE N N 104 122.440 122.440 120.890 1.550 17811 1550 1 2 . 1 1 104 104 ILE HA H 104 4.971 4.971 5.169 -0.198 17811 1551 1 2 . 1 1 104 104 ILE C C 104 175.884 175.884 175.436 0.448 17811 1552 1 2 . 1 1 104 104 ILE CA C 104 59.805 59.805 58.867 0.938 17811 1553 1 2 . 1 1 104 104 ILE CB C 104 40.968 40.968 39.623 1.345 17811 1554 1 2 . 1 1 104 104 ILE H H 104 8.687 8.687 7.893 0.794 17811 1555 1 2 . 1 1 105 105 ARG N N 105 124.391 124.391 125.430 -1.039 17811 1556 1 2 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.701 0.201 17811 1557 1 2 . 1 1 105 105 ARG C C 105 174.157 174.157 174.328 -0.171 17811 1558 1 2 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.778 -2.864 17811 1559 1 2 . 1 1 105 105 ARG CB C 105 34.597 34.597 34.084 0.513 17811 1560 1 2 . 1 1 105 105 ARG H H 105 9.025 9.025 9.002 0.023 17811 1561 1 2 . 1 1 106 106 LEU N N 106 123.612 123.612 122.375 1.237 17811 1562 1 2 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.928 0.603 17811 1563 1 2 . 1 1 106 106 LEU C C 106 178.303 178.303 176.236 2.067 17811 1564 1 2 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.168 -1.007 17811 1565 1 2 . 1 1 106 106 LEU CB C 106 45.420 45.420 43.059 2.361 17811 1566 1 2 . 1 1 106 106 LEU H H 106 11.263 11.263 8.534 2.729 17811 1567 1 2 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.623 -0.547 17811 1568 1 2 . 1 1 107 107 LYS C C 107 175.241 175.241 174.693 0.548 17811 1569 1 2 . 1 1 107 107 LYS CA C 107 56.419 56.419 53.655 2.764 17811 1570 1 2 . 1 1 107 107 LYS CB C 107 38.913 38.913 37.373 1.540 17811 1571 1 2 . 1 1 108 108 LEU N N 108 125.733 125.733 120.578 5.155 17811 1572 1 2 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.503 0.160 17811 1573 1 2 . 1 1 108 108 LEU C C 108 176.152 176.152 176.330 -0.178 17811 1574 1 2 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.607 -0.282 17811 1575 1 2 . 1 1 108 108 LEU CB C 108 42.374 42.374 40.311 2.063 17811 1576 1 2 . 1 1 108 108 LEU H H 108 8.488 8.488 8.680 -0.192 17811 1577 1 2 . 1 1 109 109 GLY N N 109 113.088 113.088 110.905 2.183 17811 1578 1 2 . 1 1 109 109 GLY C C 109 171.829 171.829 172.778 -0.949 17811 1579 1 2 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.199 -0.738 17811 1580 1 2 . 1 1 109 109 GLY H H 109 7.427 7.427 7.545 -0.118 17811 1581 1 2 . 1 1 110 110 GLY N N 110 102.747 102.747 106.065 -3.318 17811 1582 1 2 . 1 1 110 110 GLY C C 110 174.538 174.538 174.349 0.189 17811 1583 1 2 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.693 -0.643 17811 1584 1 2 . 1 1 110 110 GLY H H 110 7.685 7.685 8.344 -0.659 17811 1585 1 2 . 1 1 111 111 GLY N N 111 117.376 117.376 106.993 10.383 17811 1586 1 2 . 1 1 111 111 GLY C C 111 172.020 172.020 173.369 -1.349 17811 1587 1 2 . 1 1 111 111 GLY CA C 111 43.845 43.845 44.567 -0.722 17811 1588 1 2 . 1 1 111 111 GLY H H 111 8.252 8.252 7.924 0.328 17811 1589 1 2 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.638 -0.444 17811 1590 1 2 . 1 1 112 112 GLU C C 112 177.997 177.997 175.889 2.108 17811 1591 1 2 . 1 1 112 112 GLU CA C 112 57.202 57.202 55.844 1.358 17811 1592 1 2 . 1 1 112 112 GLU CB C 112 29.489 29.489 32.920 -3.431 17811 1593 1 2 . 1 1 113 113 GLY N N 113 110.029 110.029 107.888 2.141 17811 1594 1 2 . 1 1 113 113 GLY C C 113 175.583 175.583 174.302 1.281 17811 1595 1 2 . 1 1 113 113 GLY CA C 113 46.996 46.996 44.077 2.919 17811 1596 1 2 . 1 1 113 113 GLY H H 113 8.638 8.638 8.156 0.482 17811 1597 1 2 . 1 1 114 114 GLY N N 114 107.830 107.830 113.332 -5.502 17811 1598 1 2 . 1 1 114 114 GLY C C 114 173.838 173.838 175.315 -1.477 17811 1599 1 2 . 1 1 114 114 GLY CA C 114 45.352 45.352 45.463 -0.111 17811 1600 1 2 . 1 1 114 114 GLY H H 114 8.579 8.579 8.437 0.142 17811 1601 1 2 . 1 1 115 115 HIS N N 115 122.890 122.890 119.269 3.621 17811 1602 1 2 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.046 0.657 17811 1603 1 2 . 1 1 115 115 HIS C C 115 176.520 176.520 176.543 -0.023 17811 1604 1 2 . 1 1 115 115 HIS CA C 115 57.956 57.956 60.297 -2.341 17811 1605 1 2 . 1 1 115 115 HIS CB C 115 32.405 32.405 29.778 2.627 17811 1606 1 2 . 1 1 115 115 HIS H H 115 7.830 7.830 8.486 -0.656 17811 1607 1 2 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.518 -0.222 17811 1608 1 2 . 1 1 116 116 ASN C C 116 178.246 178.246 178.082 0.164 17811 1609 1 2 . 1 1 116 116 ASN CA C 116 56.380 56.380 56.392 -0.012 17811 1610 1 2 . 1 1 116 116 ASN CB C 116 36.721 36.721 37.460 -0.739 17811 1611 1 2 . 1 1 117 117 GLY N N 117 113.570 113.570 107.852 5.718 17811 1612 1 2 . 1 1 117 117 GLY C C 117 175.114 175.114 176.213 -1.099 17811 1613 1 2 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.574 0.833 17811 1614 1 2 . 1 1 117 117 GLY H H 117 9.245 9.245 7.770 1.475 17811 1615 1 2 . 1 1 118 118 LEU N N 118 123.746 123.746 121.780 1.966 17811 1616 1 2 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.002 -0.166 17811 1617 1 2 . 1 1 118 118 LEU C C 118 179.150 179.150 178.610 0.540 17811 1618 1 2 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.958 1.135 17811 1619 1 2 . 1 1 118 118 LEU CB C 118 42.338 42.338 42.038 0.299 17811 1620 1 2 . 1 1 118 118 LEU H H 118 8.133 8.133 7.365 0.768 17811 1621 1 2 . 1 1 119 119 ARG N N 119 117.495 117.495 118.379 -0.884 17811 1622 1 2 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.155 -0.094 17811 1623 1 2 . 1 1 119 119 ARG C C 119 178.400 178.400 178.025 0.375 17811 1624 1 2 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.042 1.695 17811 1625 1 2 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.142 1.346 17811 1626 1 2 . 1 1 119 119 ARG H H 119 8.234 8.234 8.652 -0.418 17811 1627 1 2 . 1 1 120 120 SER N N 120 112.769 112.769 115.453 -2.684 17811 1628 1 2 . 1 1 120 120 SER HA H 120 4.218 4.218 4.236 -0.018 17811 1629 1 2 . 1 1 120 120 SER C C 120 178.568 178.568 176.317 2.251 17811 1630 1 2 . 1 1 120 120 SER CA C 120 60.901 60.901 61.443 -0.542 17811 1631 1 2 . 1 1 120 120 SER CB C 120 63.367 63.367 62.935 0.432 17811 1632 1 2 . 1 1 120 120 SER H H 120 7.283 7.283 8.202 -0.919 17811 1633 1 2 . 1 1 121 121 VAL N N 121 120.291 120.291 119.641 0.650 17811 1634 1 2 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.780 -0.521 17811 1635 1 2 . 1 1 121 121 VAL C C 121 176.485 176.485 177.558 -1.073 17811 1636 1 2 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.109 2.985 17811 1637 1 2 . 1 1 121 121 VAL CB C 121 31.584 31.584 30.952 0.632 17811 1638 1 2 . 1 1 121 121 VAL H H 121 8.263 8.263 7.448 0.815 17811 1639 1 2 . 1 1 122 122 ALA N N 122 120.702 120.702 123.281 -2.579 17811 1640 1 2 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.023 0.462 17811 1641 1 2 . 1 1 122 122 ALA C C 122 181.178 181.178 179.515 1.663 17811 1642 1 2 . 1 1 122 122 ALA CA C 122 55.284 55.284 54.958 0.326 17811 1643 1 2 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.495 0.074 17811 1644 1 2 . 1 1 122 122 ALA H H 122 8.708 8.708 7.342 1.366 17811 1645 1 2 . 1 1 123 123 SER N N 123 113.198 113.198 113.501 -0.303 17811 1646 1 2 . 1 1 123 123 SER HA H 123 4.049 4.049 4.184 -0.135 17811 1647 1 2 . 1 1 123 123 SER C C 123 176.672 176.672 175.819 0.853 17811 1648 1 2 . 1 1 123 123 SER CA C 123 61.312 61.312 61.209 0.103 17811 1649 1 2 . 1 1 123 123 SER CB C 123 62.888 62.888 63.184 -0.296 17811 1650 1 2 . 1 1 123 123 SER H H 123 8.137 8.137 8.492 -0.355 17811 1651 1 2 . 1 1 124 124 ALA N N 124 122.798 122.798 123.628 -0.830 17811 1652 1 2 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.115 0.021 17811 1653 1 2 . 1 1 124 124 ALA C C 124 180.052 180.052 178.778 1.274 17811 1654 1 2 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.516 0.152 17811 1655 1 2 . 1 1 124 124 ALA CB C 124 19.870 19.870 19.016 0.854 17811 1656 1 2 . 1 1 124 124 ALA H H 124 7.692 7.692 7.805 -0.113 17811 1657 1 2 . 1 1 125 125 LEU N N 125 114.359 114.359 114.634 -0.275 17811 1658 1 2 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.579 -0.388 17811 1659 1 2 . 1 1 125 125 LEU C C 125 178.024 178.024 177.871 0.153 17811 1660 1 2 . 1 1 125 125 LEU CA C 125 55.490 55.490 54.696 0.794 17811 1661 1 2 . 1 1 125 125 LEU CB C 125 42.954 42.954 43.275 -0.321 17811 1662 1 2 . 1 1 125 125 LEU H H 125 8.219 8.219 7.491 0.728 17811 1663 1 2 . 1 1 126 126 GLY N N 126 106.746 106.746 108.076 -1.330 17811 1664 1 2 . 1 1 126 126 GLY C C 126 173.124 173.124 173.928 -0.804 17811 1665 1 2 . 1 1 126 126 GLY CA C 126 45.557 45.557 44.795 0.762 17811 1666 1 2 . 1 1 126 126 GLY H H 126 7.910 7.910 8.139 -0.229 17811 1667 1 2 . 1 1 127 127 THR N N 127 112.372 112.372 114.804 -2.432 17811 1668 1 2 . 1 1 127 127 THR HA H 127 4.586 4.586 4.639 -0.053 17811 1669 1 2 . 1 1 127 127 THR C C 127 170.252 170.252 173.168 -2.916 17811 1670 1 2 . 1 1 127 127 THR CA C 127 59.463 59.463 60.240 -0.777 17811 1671 1 2 . 1 1 127 127 THR CB C 127 67.751 67.751 70.876 -3.125 17811 1672 1 2 . 1 1 127 127 THR H H 127 7.611 7.611 8.109 -0.498 17811 1673 1 2 . 1 1 128 128 LYS N N 128 120.933 120.933 122.823 -1.890 17811 1674 1 2 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.610 -0.296 17811 1675 1 2 . 1 1 128 128 LYS C C 128 178.400 178.400 175.594 2.806 17811 1676 1 2 . 1 1 128 128 LYS CA C 128 56.038 56.038 55.238 0.800 17811 1677 1 2 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.434 0.314 17811 1678 1 2 . 1 1 128 128 LYS H H 128 8.075 8.075 8.646 -0.571 17811 1679 1 2 . 1 1 129 129 ASN N N 129 124.675 124.675 114.515 10.160 17811 1680 1 2 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.464 -0.160 17811 1681 1 2 . 1 1 129 129 ASN C C 129 171.284 171.284 174.703 -3.419 17811 1682 1 2 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.997 0.123 17811 1683 1 2 . 1 1 129 129 ASN CB C 129 37.063 37.063 36.746 0.317 17811 1684 1 2 . 1 1 129 129 ASN H H 129 8.736 8.736 8.372 0.364 17811 1685 1 2 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.690 0.401 17811 1686 1 2 . 1 1 131 131 HIS C C 131 175.397 175.397 173.321 2.076 17811 1687 1 2 . 1 1 131 131 HIS CA C 131 60.148 60.148 55.798 4.350 17811 1688 1 2 . 1 1 131 131 HIS CB C 131 30.967 30.967 31.062 -0.096 17811 1689 1 2 . 1 1 132 132 ARG N N 132 119.440 119.440 124.191 -4.751 17811 1690 1 2 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.916 1.033 17811 1691 1 2 . 1 1 132 132 ARG C C 132 174.945 174.945 173.808 1.137 17811 1692 1 2 . 1 1 132 132 ARG CA C 132 55.558 55.558 54.894 0.664 17811 1693 1 2 . 1 1 132 132 ARG CB C 132 32.679 32.679 34.747 -2.068 17811 1694 1 2 . 1 1 132 132 ARG H H 132 9.525 9.525 8.827 0.698 17811 1695 1 2 . 1 1 133 133 VAL N N 133 124.107 124.107 123.166 0.941 17811 1696 1 2 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.461 -0.354 17811 1697 1 2 . 1 1 133 133 VAL C C 133 172.805 172.805 174.791 -1.986 17811 1698 1 2 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.716 0.761 17811 1699 1 2 . 1 1 133 133 VAL CB C 133 32.405 32.405 33.207 -0.802 17811 1700 1 2 . 1 1 133 133 VAL H H 133 8.669 8.669 8.936 -0.267 17811 1701 1 2 . 1 1 134 134 ARG N N 134 123.782 123.782 127.632 -3.850 17811 1702 1 2 . 1 1 134 134 ARG HA H 134 3.624 3.624 5.031 -1.407 17811 1703 1 2 . 1 1 134 134 ARG C C 134 174.964 174.964 174.895 0.069 17811 1704 1 2 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.761 -0.847 17811 1705 1 2 . 1 1 134 134 ARG CB C 134 32.063 32.063 31.870 0.193 17811 1706 1 2 . 1 1 134 134 ARG H H 134 8.822 8.822 9.070 -0.248 17811 1707 1 2 . 1 1 135 135 ILE N N 135 122.618 122.618 125.974 -3.356 17811 1708 1 2 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.291 0.009 17811 1709 1 2 . 1 1 135 135 ILE C C 135 175.809 175.809 175.234 0.575 17811 1710 1 2 . 1 1 135 135 ILE CA C 135 60.627 60.627 59.469 1.158 17811 1711 1 2 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.846 -0.413 17811 1712 1 2 . 1 1 135 135 ILE H H 135 8.532 8.532 9.023 -0.491 17811 1713 1 2 . 1 1 136 136 GLY N N 136 116.268 116.268 116.890 -0.622 17811 1714 1 2 . 1 1 136 136 GLY C C 136 175.302 175.302 174.338 0.964 17811 1715 1 2 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.883 2.551 17811 1716 1 2 . 1 1 136 136 GLY H H 136 9.240 9.240 8.736 0.504 17811 1717 1 2 . 1 1 137 137 VAL N N 137 111.669 111.669 126.206 -14.537 17811 1718 1 2 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.262 0.933 17811 1719 1 2 . 1 1 137 137 VAL C C 137 176.691 176.691 175.529 1.162 17811 1720 1 2 . 1 1 137 137 VAL CA C 137 60.216 60.216 60.930 -0.714 17811 1721 1 2 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.576 1.268 17811 1722 1 2 . 1 1 137 137 VAL H H 137 8.370 8.370 8.124 0.246 17811 1723 1 2 . 1 1 138 138 GLY N N 138 111.577 111.577 109.079 2.498 17811 1724 1 2 . 1 1 138 138 GLY C C 138 169.895 169.895 171.948 -2.053 17811 1725 1 2 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.135 1.355 17811 1726 1 2 . 1 1 138 138 GLY H H 138 8.524 8.524 7.346 1.178 17811 1727 1 2 . 1 1 139 139 ARG N N 139 112.983 112.983 117.940 -4.957 17811 1728 1 2 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.668 -0.283 17811 1729 1 2 . 1 1 139 139 ARG C C 139 175.133 175.133 173.646 1.487 17811 1730 1 2 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.192 -0.031 17811 1731 1 2 . 1 1 139 139 ARG CB C 139 29.666 29.666 31.432 -1.766 17811 1732 1 2 . 1 1 139 139 ARG H H 139 7.603 7.603 8.052 -0.449 17811 1733 1 2 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.566 0.067 17811 1734 1 2 . 1 1 141 141 PRO C C 141 176.503 176.503 176.651 -0.148 17811 1735 1 2 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.397 0.560 17811 1736 1 2 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.889 0.064 17811 1737 1 2 . 1 1 142 142 GLY N N 142 107.144 107.144 111.274 -4.130 17811 1738 1 2 . 1 1 142 142 GLY C C 142 175.076 175.076 174.114 0.962 17811 1739 1 2 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.523 -0.993 17811 1740 1 2 . 1 1 142 142 GLY H H 142 8.228 8.228 8.045 0.183 17811 1741 1 2 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.548 -0.283 17811 1742 1 2 . 1 1 143 143 ARG C C 143 175.848 175.848 176.044 -0.196 17811 1743 1 2 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.157 -0.736 17811 1744 1 2 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.899 -1.781 17811 1745 1 2 . 1 1 144 144 LYS N N 144 121.850 121.850 120.119 1.731 17811 1746 1 2 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.475 -0.416 17811 1747 1 2 . 1 1 144 144 LYS C C 144 175.152 175.152 175.005 0.147 17811 1748 1 2 . 1 1 144 144 LYS CA C 144 56.312 56.312 54.722 1.590 17811 1749 1 2 . 1 1 144 144 LYS CB C 144 32.611 32.611 34.334 -1.723 17811 1750 1 2 . 1 1 144 144 LYS H H 144 7.542 7.542 7.759 -0.217 17811 1751 1 2 . 1 1 145 145 ASP N N 145 126.413 126.413 121.032 5.381 17811 1752 1 2 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.696 0.007 17811 1753 1 2 . 1 1 145 145 ASP C C 145 176.208 176.208 176.494 -0.286 17811 1754 1 2 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.706 -0.367 17811 1755 1 2 . 1 1 145 145 ASP CB C 145 42.406 42.406 42.072 0.334 17811 1756 1 2 . 1 1 145 145 ASP H H 145 8.507 8.507 8.505 0.002 17811 1757 1 2 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.492 0.181 17811 1758 1 2 . 1 1 146 146 PRO C C 146 177.555 177.555 177.561 -0.006 17811 1759 1 2 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.326 0.302 17811 1760 1 2 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.838 0.704 17811 1761 1 2 . 1 1 147 147 ALA N N 147 119.068 119.068 120.199 -1.131 17811 1762 1 2 . 1 1 147 147 ALA HA H 147 3.996 3.996 3.973 0.023 17811 1763 1 2 . 1 1 147 147 ALA C C 147 179.236 179.236 178.892 0.344 17811 1764 1 2 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.657 -0.058 17811 1765 1 2 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.418 -0.055 17811 1766 1 2 . 1 1 147 147 ALA H H 147 8.161 8.161 8.272 -0.111 17811 1767 1 2 . 1 1 148 148 ALA N N 148 118.488 118.488 119.925 -1.437 17811 1768 1 2 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.180 -0.013 17811 1769 1 2 . 1 1 148 148 ALA C C 148 180.397 180.397 179.485 0.912 17811 1770 1 2 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.797 0.391 17811 1771 1 2 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.159 -0.385 17811 1772 1 2 . 1 1 148 148 ALA H H 148 7.210 7.210 7.954 -0.744 17811 1773 1 2 . 1 1 149 149 PHE N N 149 118.247 118.247 118.227 0.020 17811 1774 1 2 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.326 -0.188 17811 1775 1 2 . 1 1 149 149 PHE C C 149 178.080 178.080 177.998 0.082 17811 1776 1 2 . 1 1 149 149 PHE CA C 149 60.353 60.353 60.883 -0.530 17811 1777 1 2 . 1 1 149 149 PHE CB C 149 40.831 40.831 38.693 2.138 17811 1778 1 2 . 1 1 149 149 PHE H H 149 8.099 8.099 7.498 0.601 17811 1779 1 2 . 1 1 150 150 VAL N N 150 107.786 107.786 120.109 -12.323 17811 1780 1 2 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.900 -0.063 17811 1781 1 2 . 1 1 150 150 VAL C C 150 174.757 174.757 176.613 -1.856 17811 1782 1 2 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.701 -0.854 17811 1783 1 2 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.182 -0.420 17811 1784 1 2 . 1 1 150 150 VAL H H 150 7.587 7.587 8.249 -0.662 17811 1785 1 2 . 1 1 151 151 LEU N N 151 118.783 118.783 116.062 2.721 17811 1786 1 2 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.322 0.153 17811 1787 1 2 . 1 1 151 151 LEU C C 151 174.926 174.926 175.826 -0.900 17811 1788 1 2 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.951 -2.242 17811 1789 1 2 . 1 1 151 151 LEU CB C 151 41.036 41.036 42.175 -1.139 17811 1790 1 2 . 1 1 151 151 LEU H H 151 6.914 6.914 7.509 -0.595 17811 1791 1 2 . 1 1 152 152 GLU N N 152 118.356 118.356 114.899 3.457 17811 1792 1 2 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.592 -0.267 17811 1793 1 2 . 1 1 152 152 GLU C C 152 175.752 175.752 174.788 0.964 17811 1794 1 2 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.189 -0.590 17811 1795 1 2 . 1 1 152 152 GLU CB C 152 31.995 31.995 30.369 1.626 17811 1796 1 2 . 1 1 152 152 GLU H H 152 6.823 6.823 7.546 -0.724 17811 1797 1 2 . 1 1 153 153 ASN N N 153 116.805 116.805 122.275 -5.470 17811 1798 1 2 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.958 -0.355 17811 1799 1 2 . 1 1 153 153 ASN C C 153 175.734 175.734 173.451 2.283 17811 1800 1 2 . 1 1 153 153 ASN CA C 153 52.750 52.750 52.823 -0.073 17811 1801 1 2 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.869 -2.025 17811 1802 1 2 . 1 1 153 153 ASN H H 153 8.064 8.064 8.689 -0.625 17811 1803 1 2 . 1 1 154 154 PHE N N 154 116.744 116.744 121.914 -5.170 17811 1804 1 2 . 1 1 154 154 PHE HA H 154 4.325 4.325 5.585 -1.260 17811 1805 1 2 . 1 1 154 154 PHE C C 154 177.142 177.142 174.261 2.881 17811 1806 1 2 . 1 1 154 154 PHE CA C 154 60.148 60.148 55.828 4.320 17811 1807 1 2 . 1 1 154 154 PHE CB C 154 38.776 38.776 41.359 -2.583 17811 1808 1 2 . 1 1 154 154 PHE H H 154 7.410 7.410 8.215 -0.805 17811 1809 1 2 . 1 1 155 155 THR N N 155 113.714 113.714 118.669 -4.955 17811 1810 1 2 . 1 1 155 155 THR HA H 155 4.691 4.691 4.604 0.087 17811 1811 1 2 . 1 1 155 155 THR C C 155 174.870 174.870 174.353 0.517 17811 1812 1 2 . 1 1 155 155 THR CA C 155 61.648 61.648 61.208 0.440 17811 1813 1 2 . 1 1 155 155 THR CB C 155 70.697 70.697 72.171 -1.474 17811 1814 1 2 . 1 1 155 155 THR H H 155 9.356 9.356 9.475 -0.119 17811 1815 1 2 . 1 1 156 156 ALA N N 156 122.937 122.937 129.454 -6.517 17811 1816 1 2 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.082 0.257 17811 1817 1 2 . 1 1 156 156 ALA C C 156 180.132 180.132 179.005 1.127 17811 1818 1 2 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.999 1.107 17811 1819 1 2 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.500 -0.548 17811 1820 1 2 . 1 1 156 156 ALA H H 156 8.931 8.931 8.844 0.087 17811 1821 1 2 . 1 1 157 157 ALA N N 157 118.892 118.892 120.303 -1.411 17811 1822 1 2 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.034 0.133 17811 1823 1 2 . 1 1 157 157 ALA C C 157 181.009 181.009 179.200 1.809 17811 1824 1 2 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.289 0.379 17811 1825 1 2 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.344 0.156 17811 1826 1 2 . 1 1 157 157 ALA H H 157 8.248 8.248 8.258 -0.010 17811 1827 1 2 . 1 1 158 158 GLU N N 158 118.304 118.304 116.597 1.707 17811 1828 1 2 . 1 1 158 158 GLU HA H 158 3.778 3.778 4.379 -0.601 17811 1829 1 2 . 1 1 158 158 GLU C C 158 179.920 179.920 179.132 0.788 17811 1830 1 2 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.199 0.099 17811 1831 1 2 . 1 1 158 158 GLU CB C 158 30.762 30.762 29.542 1.220 17811 1832 1 2 . 1 1 158 158 GLU H H 158 7.486 7.486 7.754 -0.268 17811 1833 1 2 . 1 1 159 159 ARG N N 159 118.363 118.363 119.916 -1.553 17811 1834 1 2 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.183 -0.480 17811 1835 1 2 . 1 1 159 159 ARG C C 159 177.793 177.793 178.319 -0.526 17811 1836 1 2 . 1 1 159 159 ARG CA C 159 59.763 59.763 57.273 2.490 17811 1837 1 2 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.351 1.068 17811 1838 1 2 . 1 1 159 159 ARG H H 159 9.117 9.117 7.615 1.502 17811 1839 1 2 . 1 1 160 160 ALA N N 160 118.334 118.334 121.855 -3.521 17811 1840 1 2 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.248 -0.066 17811 1841 1 2 . 1 1 160 160 ALA C C 160 178.512 178.512 177.929 0.583 17811 1842 1 2 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.400 -0.075 17811 1843 1 2 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.326 0.448 17811 1844 1 2 . 1 1 160 160 ALA H H 160 7.227 7.227 7.597 -0.370 17811 1845 1 2 . 1 1 161 161 GLU N N 161 114.910 114.910 115.487 -0.577 17811 1846 1 2 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.380 0.163 17811 1847 1 2 . 1 1 161 161 GLU C C 161 177.085 177.085 177.837 -0.752 17811 1848 1 2 . 1 1 161 161 GLU CA C 161 56.243 56.243 56.595 -0.352 17811 1849 1 2 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.703 2.223 17811 1850 1 2 . 1 1 161 161 GLU H H 161 7.705 7.705 7.566 0.139 17811 1851 1 2 . 1 1 162 162 VAL N N 162 120.126 120.126 121.362 -1.236 17811 1852 1 2 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.790 0.363 17811 1853 1 2 . 1 1 162 162 VAL C C 162 173.208 173.208 175.398 -2.190 17811 1854 1 2 . 1 1 162 162 VAL CA C 162 68.779 68.779 69.050 -0.271 17811 1855 1 2 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.144 1.070 17811 1856 1 2 . 1 1 162 162 VAL H H 162 7.509 7.509 7.331 0.178 17811 1857 1 2 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.232 -0.074 17811 1858 1 2 . 1 1 163 163 PRO C C 163 179.146 179.146 178.630 0.516 17811 1859 1 2 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.411 0.313 17811 1860 1 2 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.013 -0.251 17811 1861 1 2 . 1 1 164 164 THR N N 164 113.503 113.503 114.251 -0.748 17811 1862 1 2 . 1 1 164 164 THR HA H 164 4.295 4.295 4.010 0.285 17811 1863 1 2 . 1 1 164 164 THR C C 164 175.696 175.696 176.395 -0.699 17811 1864 1 2 . 1 1 164 164 THR CA C 164 66.244 66.244 66.497 -0.253 17811 1865 1 2 . 1 1 164 164 THR CB C 164 68.710 68.710 68.363 0.347 17811 1866 1 2 . 1 1 164 164 THR H H 164 7.260 7.260 7.971 -0.711 17811 1867 1 2 . 1 1 165 165 ILE N N 165 124.266 124.266 121.859 2.407 17811 1868 1 2 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.620 0.105 17811 1869 1 2 . 1 1 165 165 ILE C C 165 177.949 177.949 177.800 0.149 17811 1870 1 2 . 1 1 165 165 ILE CA C 165 65.148 65.148 65.423 -0.275 17811 1871 1 2 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.656 0.777 17811 1872 1 2 . 1 1 165 165 ILE H H 165 7.781 7.781 7.941 -0.160 17811 1873 1 2 . 1 1 166 166 VAL N N 166 117.723 117.723 118.956 -1.233 17811 1874 1 2 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.522 -0.011 17811 1875 1 2 . 1 1 166 166 VAL C C 166 178.062 178.062 178.348 -0.286 17811 1876 1 2 . 1 1 166 166 VAL CA C 166 66.792 66.792 66.308 0.484 17811 1877 1 2 . 1 1 166 166 VAL CB C 166 31.378 31.378 30.784 0.594 17811 1878 1 2 . 1 1 166 166 VAL H H 166 8.605 8.605 8.400 0.205 17811 1879 1 2 . 1 1 167 167 GLU N N 167 119.572 119.572 117.833 1.739 17811 1880 1 2 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.974 -0.131 17811 1881 1 2 . 1 1 167 167 GLU C C 167 179.000 179.000 179.500 -0.500 17811 1882 1 2 . 1 1 167 167 GLU CA C 167 59.805 59.805 58.952 0.853 17811 1883 1 2 . 1 1 167 167 GLU CB C 167 29.186 29.186 28.939 0.247 17811 1884 1 2 . 1 1 167 167 GLU H H 167 7.408 7.408 7.643 -0.235 17811 1885 1 2 . 1 1 168 168 GLN N N 168 118.334 118.334 119.424 -1.090 17811 1886 1 2 . 1 1 168 168 GLN HA H 168 3.967 3.967 3.973 -0.006 17811 1887 1 2 . 1 1 168 168 GLN C C 168 179.038 179.038 177.713 1.325 17811 1888 1 2 . 1 1 168 168 GLN CA C 168 59.463 59.463 57.642 1.821 17811 1889 1 2 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.087 0.825 17811 1890 1 2 . 1 1 168 168 GLN H H 168 8.298 8.298 7.515 0.783 17811 1891 1 2 . 1 1 169 169 ALA N N 169 123.008 123.008 121.166 1.842 17811 1892 1 2 . 1 1 169 169 ALA HA H 169 4.062 4.062 3.935 0.127 17811 1893 1 2 . 1 1 169 169 ALA C C 169 180.408 180.408 178.651 1.757 17811 1894 1 2 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.550 0.666 17811 1895 1 2 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.204 0.981 17811 1896 1 2 . 1 1 169 169 ALA H H 169 9.106 9.106 7.890 1.216 17811 1897 1 2 . 1 1 170 170 ALA N N 170 125.275 125.275 121.678 3.597 17811 1898 1 2 . 1 1 170 170 ALA HA H 170 3.930 3.930 3.909 0.021 17811 1899 1 2 . 1 1 170 170 ALA C C 170 178.831 178.831 178.837 -0.006 17811 1900 1 2 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.944 1.025 17811 1901 1 2 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.108 -0.979 17811 1902 1 2 . 1 1 170 170 ALA H H 170 8.364 8.364 7.611 0.753 17811 1903 1 2 . 1 1 171 171 ASP N N 171 120.702 120.702 118.877 1.825 17811 1904 1 2 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.344 -0.091 17811 1905 1 2 . 1 1 171 171 ASP C C 171 179.507 179.507 177.838 1.669 17811 1906 1 2 . 1 1 171 171 ASP CA C 171 57.887 57.887 57.016 0.871 17811 1907 1 2 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.954 -1.219 17811 1908 1 2 . 1 1 171 171 ASP H H 171 8.656 8.656 7.653 1.003 17811 1909 1 2 . 1 1 172 172 ALA N N 172 122.759 122.759 121.699 1.060 17811 1910 1 2 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.158 -0.218 17811 1911 1 2 . 1 1 172 172 ALA C C 172 178.137 178.137 179.719 -1.582 17811 1912 1 2 . 1 1 172 172 ALA CA C 172 55.010 55.010 54.685 0.325 17811 1913 1 2 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.415 1.455 17811 1914 1 2 . 1 1 172 172 ALA H H 172 9.380 9.380 7.366 2.014 17811 1915 1 2 . 1 1 173 173 THR N N 173 115.154 115.154 114.073 1.081 17811 1916 1 2 . 1 1 173 173 THR HA H 173 4.430 4.430 3.911 0.519 17811 1917 1 2 . 1 1 173 173 THR C C 173 175.940 175.940 176.852 -0.912 17811 1918 1 2 . 1 1 173 173 THR CA C 173 68.162 68.162 66.990 1.172 17811 1919 1 2 . 1 1 173 173 THR CB C 173 68.162 68.162 68.503 -0.341 17811 1920 1 2 . 1 1 173 173 THR H H 173 7.811 7.811 8.296 -0.485 17811 1921 1 2 . 1 1 174 174 GLU N N 174 118.915 118.915 119.978 -1.063 17811 1922 1 2 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.059 -0.415 17811 1923 1 2 . 1 1 174 174 GLU C C 174 178.475 178.475 178.268 0.207 17811 1924 1 2 . 1 1 174 174 GLU CA C 174 61.381 61.381 58.851 2.530 17811 1925 1 2 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.179 1.035 17811 1926 1 2 . 1 1 174 174 GLU H H 174 7.832 7.832 7.962 -0.130 17811 1927 1 2 . 1 1 175 175 LEU N N 175 119.457 119.457 120.562 -1.105 17811 1928 1 2 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.143 -0.194 17811 1929 1 2 . 1 1 175 175 LEU C C 175 178.268 178.268 178.069 0.199 17811 1930 1 2 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.471 0.759 17811 1931 1 2 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.843 0.632 17811 1932 1 2 . 1 1 175 175 LEU H H 175 8.144 8.144 7.658 0.486 17811 1933 1 2 . 1 1 176 176 LEU N N 176 120.413 120.413 118.917 1.496 17811 1934 1 2 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.172 -0.581 17811 1935 1 2 . 1 1 176 176 LEU C C 176 177.799 177.799 178.987 -1.188 17811 1936 1 2 . 1 1 176 176 LEU CA C 176 58.093 58.093 58.486 -0.393 17811 1937 1 2 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.517 0.204 17811 1938 1 2 . 1 1 176 176 LEU H H 176 7.970 7.970 7.568 0.402 17811 1939 1 2 . 1 1 177 177 ILE N N 177 115.277 115.277 118.237 -2.960 17811 1940 1 2 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.854 0.073 17811 1941 1 2 . 1 1 177 177 ILE C C 177 177.123 177.123 177.415 -0.292 17811 1942 1 2 . 1 1 177 177 ILE CA C 177 65.148 65.148 61.956 3.192 17811 1943 1 2 . 1 1 177 177 ILE CB C 177 38.433 38.433 36.882 1.551 17811 1944 1 2 . 1 1 177 177 ILE H H 177 7.576 7.576 7.450 0.126 17811 1945 1 2 . 1 1 178 178 ALA N N 178 118.887 118.887 122.077 -3.190 17811 1946 1 2 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.032 0.989 17811 1947 1 2 . 1 1 178 178 ALA C C 178 179.901 179.901 178.922 0.979 17811 1948 1 2 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.318 0.350 17811 1949 1 2 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.332 1.292 17811 1950 1 2 . 1 1 178 178 ALA H H 178 8.237 8.237 8.170 0.067 17811 1951 1 2 . 1 1 179 179 GLN N N 179 112.225 112.225 115.392 -3.167 17811 1952 1 2 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.728 -0.288 17811 1953 1 2 . 1 1 179 179 GLN C C 179 177.254 177.254 176.627 0.627 17811 1954 1 2 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.789 -0.162 17811 1955 1 2 . 1 1 179 179 GLN CB C 179 30.762 30.762 31.191 -0.429 17811 1956 1 2 . 1 1 179 179 GLN H H 179 8.646 8.646 8.450 0.196 17811 1957 1 2 . 1 1 180 180 GLY N N 180 109.528 109.528 106.296 3.232 17811 1958 1 2 . 1 1 180 180 GLY C C 180 173.095 173.095 173.196 -0.101 17811 1959 1 2 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.516 -1.671 17811 1960 1 2 . 1 1 180 180 GLY H H 180 7.811 7.811 7.849 -0.038 17811 1961 1 2 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.594 -0.882 17811 1962 1 2 . 1 1 181 181 LEU C C 181 177.257 177.257 177.968 -0.711 17811 1963 1 2 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.620 2.842 17811 1964 1 2 . 1 1 181 181 LEU CB C 181 42.612 42.612 41.633 0.979 17811 1965 1 2 . 1 1 182 182 GLU N N 182 116.836 116.836 120.532 -3.696 17811 1966 1 2 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.147 0.080 17811 1967 1 2 . 1 1 182 182 GLU C C 182 176.406 176.406 177.109 -0.703 17811 1968 1 2 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.650 1.073 17811 1969 1 2 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.014 -0.294 17811 1970 1 2 . 1 1 182 182 GLU H H 182 8.909 8.909 8.928 -0.019 17811 1971 1 2 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.388 -0.151 17811 1972 1 2 . 1 1 183 183 PRO C C 183 179.992 179.992 177.595 2.397 17811 1973 1 2 . 1 1 183 183 PRO CA C 183 65.217 65.217 64.957 0.260 17811 1974 1 2 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.207 -0.034 17811 1975 1 2 . 1 1 184 184 ALA N N 184 118.151 118.151 121.801 -3.650 17811 1976 1 2 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.024 -0.189 17811 1977 1 2 . 1 1 184 184 ALA C C 184 179.526 179.526 179.329 0.197 17811 1978 1 2 . 1 1 184 184 ALA CA C 184 55.490 55.490 54.867 0.623 17811 1979 1 2 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.623 -0.465 17811 1980 1 2 . 1 1 184 184 ALA H H 184 7.350 7.350 7.692 -0.342 17811 1981 1 2 . 1 1 185 185 GLN N N 185 118.148 118.148 116.772 1.376 17811 1982 1 2 . 1 1 185 185 GLN HA H 185 3.006 3.006 3.972 -0.966 17811 1983 1 2 . 1 1 185 185 GLN C C 185 177.555 177.555 178.210 -0.655 17811 1984 1 2 . 1 1 185 185 GLN CA C 185 58.983 58.983 59.062 -0.079 17811 1985 1 2 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.163 0.612 17811 1986 1 2 . 1 1 185 185 GLN H H 185 8.848 8.848 8.684 0.164 17811 1987 1 2 . 1 1 186 186 ASN N N 186 115.032 115.032 119.238 -4.206 17811 1988 1 2 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.745 -0.584 17811 1989 1 2 . 1 1 186 186 ASN C C 186 177.160 177.160 177.974 -0.814 17811 1990 1 2 . 1 1 186 186 ASN CA C 186 56.038 56.038 56.292 -0.254 17811 1991 1 2 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.381 -0.153 17811 1992 1 2 . 1 1 186 186 ASN H H 186 7.537 7.537 7.588 -0.051 17811 1993 1 2 . 1 1 187 187 THR N N 187 114.421 114.421 116.748 -2.327 17811 1994 1 2 . 1 1 187 187 THR HA H 187 3.864 3.864 4.063 -0.199 17811 1995 1 2 . 1 1 187 187 THR C C 187 174.739 174.739 177.291 -2.552 17811 1996 1 2 . 1 1 187 187 THR CA C 187 65.422 65.422 65.415 0.007 17811 1997 1 2 . 1 1 187 187 THR CB C 187 69.532 69.532 69.050 0.482 17811 1998 1 2 . 1 1 187 187 THR H H 187 7.120 7.120 7.578 -0.458 17811 1999 1 2 . 1 1 188 188 VAL N N 188 119.580 119.580 120.641 -1.061 17811 2000 1 2 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.002 0.383 17811 2001 1 2 . 1 1 188 188 VAL C C 188 178.043 178.043 176.743 1.300 17811 2002 1 2 . 1 1 188 188 VAL CA C 188 64.326 64.326 64.997 -0.671 17811 2003 1 2 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.765 0.094 17811 2004 1 2 . 1 1 188 188 VAL H H 188 8.333 8.333 7.942 0.391 17811 2005 1 2 . 1 1 189 189 HIS N N 189 115.949 115.949 115.108 0.841 17811 2006 1 2 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.626 0.044 17811 2007 1 2 . 1 1 189 189 HIS C C 189 175.114 175.114 175.030 0.084 17811 2008 1 2 . 1 1 189 189 HIS CA C 189 56.312 56.312 56.046 0.266 17811 2009 1 2 . 1 1 189 189 HIS CB C 189 27.474 27.474 29.494 -2.020 17811 2010 1 2 . 1 1 189 189 HIS H H 189 8.674 8.674 7.553 1.121 17811 2011 1 2 . 1 1 190 190 ALA N N 190 120.346 120.346 120.884 -0.538 17811 2012 1 2 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.135 0.449 17811 2013 1 2 . 1 1 190 190 ALA C C 190 177.906 177.906 176.908 0.998 17811 2014 1 2 . 1 1 190 190 ALA CA C 190 51.791 51.791 52.147 -0.356 17811 2015 1 2 . 1 1 190 190 ALA CB C 190 19.665 19.665 18.724 0.941 17811 2016 1 2 . 1 1 190 190 ALA H H 190 6.983 6.983 7.350 -0.367 17811 2017 1 3 . 1 1 2 2 ALA N N 2 125.183 125.183 124.290 0.893 17811 2018 1 3 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.805 -0.628 17811 2019 1 3 . 1 1 2 2 ALA C C 2 174.029 174.029 176.524 -2.495 17811 2020 1 3 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.622 0.237 17811 2021 1 3 . 1 1 2 2 ALA CB C 2 19.596 19.596 20.147 -0.551 17811 2022 1 3 . 1 1 2 2 ALA H H 2 8.096 8.096 8.340 -0.244 17811 2023 1 3 . 1 1 3 3 GLU N N 3 113.075 113.075 119.792 -6.717 17811 2024 1 3 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.551 -0.352 17811 2025 1 3 . 1 1 3 3 GLU C C 3 175.812 175.812 174.215 1.597 17811 2026 1 3 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.843 -0.340 17811 2027 1 3 . 1 1 3 3 GLU CB C 3 31.584 31.584 29.970 1.614 17811 2028 1 3 . 1 1 3 3 GLU H H 3 7.483 7.483 8.377 -0.894 17811 2029 1 3 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.815 -0.040 17811 2030 1 3 . 1 1 4 4 PRO C C 4 174.213 174.213 176.556 -2.343 17811 2031 1 3 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.942 -0.671 17811 2032 1 3 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.796 2.733 17811 2033 1 3 . 1 1 5 5 LEU N N 5 120.181 120.181 122.065 -1.884 17811 2034 1 3 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.733 -0.433 17811 2035 1 3 . 1 1 5 5 LEU C C 5 174.926 174.926 175.977 -1.051 17811 2036 1 3 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.601 0.587 17811 2037 1 3 . 1 1 5 5 LEU CB C 5 45.694 45.694 42.896 2.798 17811 2038 1 3 . 1 1 5 5 LEU H H 5 7.953 7.953 7.830 0.123 17811 2039 1 3 . 1 1 6 6 LEU N N 6 124.663 124.663 123.156 1.507 17811 2040 1 3 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.905 0.382 17811 2041 1 3 . 1 1 6 6 LEU C C 6 173.293 173.293 175.610 -2.317 17811 2042 1 3 . 1 1 6 6 LEU CA C 6 52.887 52.887 54.038 -1.151 17811 2043 1 3 . 1 1 6 6 LEU CB C 6 45.694 45.694 43.654 2.040 17811 2044 1 3 . 1 1 6 6 LEU H H 6 8.456 8.456 8.206 0.250 17811 2045 1 3 . 1 1 7 7 VAL N N 7 128.364 128.364 128.461 -0.097 17811 2046 1 3 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.968 0.031 17811 2047 1 3 . 1 1 7 7 VAL C C 7 174.006 174.006 174.912 -0.906 17811 2048 1 3 . 1 1 7 7 VAL CA C 7 60.353 60.353 60.333 0.020 17811 2049 1 3 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.413 0.284 17811 2050 1 3 . 1 1 7 7 VAL H H 7 9.456 9.456 9.278 0.178 17811 2051 1 3 . 1 1 8 8 VAL N N 8 126.000 126.000 128.473 -2.473 17811 2052 1 3 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.487 0.567 17811 2053 1 3 . 1 1 8 8 VAL C C 8 175.433 175.433 174.914 0.519 17811 2054 1 3 . 1 1 8 8 VAL CA C 8 59.737 59.737 61.683 -1.946 17811 2055 1 3 . 1 1 8 8 VAL CB C 8 35.556 35.556 32.287 3.269 17811 2056 1 3 . 1 1 8 8 VAL H H 8 9.571 9.571 9.132 0.439 17811 2057 1 3 . 1 1 9 9 GLY N N 9 112.757 112.757 115.054 -2.297 17811 2058 1 3 . 1 1 9 9 GLY C C 9 171.378 171.378 172.221 -0.843 17811 2059 1 3 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.452 1.352 17811 2060 1 3 . 1 1 9 9 GLY H H 9 8.692 8.692 8.799 -0.107 17811 2061 1 3 . 1 1 10 10 LEU N N 10 119.466 119.466 125.638 -6.172 17811 2062 1 3 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.590 0.143 17811 2063 1 3 . 1 1 10 10 LEU C C 10 175.715 175.715 176.098 -0.383 17811 2064 1 3 . 1 1 10 10 LEU CA C 10 54.188 54.188 54.957 -0.769 17811 2065 1 3 . 1 1 10 10 LEU CB C 10 42.543 42.543 42.620 -0.077 17811 2066 1 3 . 1 1 10 10 LEU H H 10 7.147 7.147 8.622 -1.475 17811 2067 1 3 . 1 1 11 11 GLY N N 11 109.192 109.192 112.002 -2.810 17811 2068 1 3 . 1 1 11 11 GLY C C 11 170.233 170.233 173.024 -2.791 17811 2069 1 3 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.105 0.288 17811 2070 1 3 . 1 1 11 11 GLY H H 11 7.281 7.281 8.237 -0.956 17811 2071 1 3 . 1 1 12 12 ASN N N 12 115.701 115.701 116.717 -1.016 17811 2072 1 3 . 1 1 12 12 ASN HA H 12 4.762 4.762 4.739 0.023 17811 2073 1 3 . 1 1 12 12 ASN C C 12 173.746 173.746 173.495 0.251 17811 2074 1 3 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.873 -0.932 17811 2075 1 3 . 1 1 12 12 ASN CB C 12 41.516 41.516 38.435 3.080 17811 2076 1 3 . 1 1 12 12 ASN H H 12 8.946 8.946 8.025 0.921 17811 2077 1 3 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.591 -0.176 17811 2078 1 3 . 1 1 13 13 PRO C C 13 177.498 177.498 176.596 0.902 17811 2079 1 3 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.867 -0.613 17811 2080 1 3 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.516 -0.590 17811 2081 1 3 . 1 1 14 14 GLY N N 14 108.978 108.978 107.532 1.446 17811 2082 1 3 . 1 1 14 14 GLY C C 14 174.878 174.878 172.833 2.045 17811 2083 1 3 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.193 2.940 17811 2084 1 3 . 1 1 14 14 GLY H H 14 8.464 8.464 7.644 0.820 17811 2085 1 3 . 1 1 16 16 THR HA H 16 4.265 4.265 4.107 0.158 17811 2086 1 3 . 1 1 16 16 THR C C 16 175.848 175.848 176.295 -0.447 17811 2087 1 3 . 1 1 16 16 THR CA C 16 65.148 65.148 64.390 0.758 17811 2088 1 3 . 1 1 16 16 THR CB C 16 68.505 68.505 68.305 0.200 17811 2089 1 3 . 1 1 17 17 TYR N N 17 117.133 117.133 122.796 -5.663 17811 2090 1 3 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.303 0.353 17811 2091 1 3 . 1 1 17 17 TYR C C 17 177.649 177.649 178.177 -0.528 17811 2092 1 3 . 1 1 17 17 TYR CA C 17 58.367 58.367 60.405 -2.038 17811 2093 1 3 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.245 2.079 17811 2094 1 3 . 1 1 17 17 TYR H H 17 7.025 7.025 7.834 -0.809 17811 2095 1 3 . 1 1 18 18 ALA N N 18 122.126 122.126 118.068 4.058 17811 2096 1 3 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.194 0.160 17811 2097 1 3 . 1 1 18 18 ALA C C 18 178.212 178.212 177.692 0.520 17811 2098 1 3 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.644 1.983 17811 2099 1 3 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.149 1.790 17811 2100 1 3 . 1 1 18 18 ALA H H 18 7.100 7.100 7.561 -0.461 17811 2101 1 3 . 1 1 19 19 LYS N N 19 115.311 115.311 115.888 -0.577 17811 2102 1 3 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.675 0.008 17811 2103 1 3 . 1 1 19 19 LYS C C 19 175.640 175.640 175.794 -0.154 17811 2104 1 3 . 1 1 19 19 LYS CA C 19 54.942 54.942 54.824 0.118 17811 2105 1 3 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.662 -0.599 17811 2106 1 3 . 1 1 19 19 LYS H H 19 8.648 8.648 7.740 0.908 17811 2107 1 3 . 1 1 20 20 THR N N 20 108.478 108.478 110.531 -2.053 17811 2108 1 3 . 1 1 20 20 THR HA H 20 4.392 4.392 5.069 -0.677 17811 2109 1 3 . 1 1 20 20 THR C C 20 175.752 175.752 175.629 0.123 17811 2110 1 3 . 1 1 20 20 THR CA C 20 60.970 60.970 59.438 1.532 17811 2111 1 3 . 1 1 20 20 THR CB C 20 72.932 72.932 71.970 0.962 17811 2112 1 3 . 1 1 20 20 THR H H 20 7.349 7.349 7.582 -0.233 17811 2113 1 3 . 1 1 21 21 ARG N N 21 117.638 117.638 121.613 -3.975 17811 2114 1 3 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.236 -0.530 17811 2115 1 3 . 1 1 21 21 ARG C C 21 177.480 177.480 177.607 -0.127 17811 2116 1 3 . 1 1 21 21 ARG CA C 21 60.083 60.083 57.418 2.665 17811 2117 1 3 . 1 1 21 21 ARG CB C 21 29.957 29.957 30.311 -0.354 17811 2118 1 3 . 1 1 21 21 ARG H H 21 7.011 7.011 9.113 -2.102 17811 2119 1 3 . 1 1 22 22 HIS N N 22 115.074 115.074 114.096 0.978 17811 2120 1 3 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.487 -0.626 17811 2121 1 3 . 1 1 22 22 HIS C C 22 173.274 173.274 175.216 -1.942 17811 2122 1 3 . 1 1 22 22 HIS CA C 22 53.434 53.434 57.856 -4.422 17811 2123 1 3 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.339 0.121 17811 2124 1 3 . 1 1 22 22 HIS H H 22 8.162 8.162 8.601 -0.439 17811 2125 1 3 . 1 1 23 23 ASN N N 23 116.439 116.439 119.104 -2.665 17811 2126 1 3 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.673 0.112 17811 2127 1 3 . 1 1 23 23 ASN C C 23 177.104 177.104 175.459 1.645 17811 2128 1 3 . 1 1 23 23 ASN CA C 23 53.024 53.024 53.243 -0.219 17811 2129 1 3 . 1 1 23 23 ASN CB C 23 38.776 38.776 37.801 0.975 17811 2130 1 3 . 1 1 23 23 ASN H H 23 7.730 7.730 7.704 0.026 17811 2131 1 3 . 1 1 24 24 LEU N N 24 123.226 123.226 117.999 5.227 17811 2132 1 3 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.313 0.033 17811 2133 1 3 . 1 1 24 24 LEU C C 24 178.681 178.681 178.194 0.487 17811 2134 1 3 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.007 2.525 17811 2135 1 3 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.418 3.564 17811 2136 1 3 . 1 1 24 24 LEU H H 24 7.939 7.939 7.376 0.563 17811 2137 1 3 . 1 1 25 25 GLY N N 25 104.146 104.146 107.961 -3.815 17811 2138 1 3 . 1 1 25 25 GLY C C 25 176.635 176.635 175.339 1.296 17811 2139 1 3 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.066 1.573 17811 2140 1 3 . 1 1 25 25 GLY H H 25 9.209 9.209 8.175 1.034 17811 2141 1 3 . 1 1 26 26 PHE N N 26 123.654 123.654 122.440 1.214 17811 2142 1 3 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.291 -0.171 17811 2143 1 3 . 1 1 26 26 PHE C C 26 177.498 177.498 176.176 1.322 17811 2144 1 3 . 1 1 26 26 PHE CA C 26 58.778 58.778 60.876 -2.098 17811 2145 1 3 . 1 1 26 26 PHE CB C 26 37.269 37.269 40.017 -2.748 17811 2146 1 3 . 1 1 26 26 PHE H H 26 7.089 7.089 7.637 -0.548 17811 2147 1 3 . 1 1 27 27 MET N N 27 117.508 117.508 117.500 0.008 17811 2148 1 3 . 1 1 27 27 MET HA H 27 4.257 4.257 4.196 0.061 17811 2149 1 3 . 1 1 27 27 MET C C 27 179.977 179.977 178.682 1.295 17811 2150 1 3 . 1 1 27 27 MET CA C 27 59.839 59.839 57.615 2.224 17811 2151 1 3 . 1 1 27 27 MET CB C 27 33.377 33.377 31.627 1.750 17811 2152 1 3 . 1 1 27 27 MET H H 27 8.061 8.061 7.961 0.100 17811 2153 1 3 . 1 1 28 28 VAL N N 28 119.068 119.068 117.574 1.494 17811 2154 1 3 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.830 -0.208 17811 2155 1 3 . 1 1 28 28 VAL C C 28 177.818 177.818 177.205 0.613 17811 2156 1 3 . 1 1 28 28 VAL CA C 28 65.970 65.970 65.212 0.758 17811 2157 1 3 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.836 0.227 17811 2158 1 3 . 1 1 28 28 VAL H H 28 8.325 8.325 8.064 0.261 17811 2159 1 3 . 1 1 29 29 ALA N N 29 123.327 123.327 121.400 1.927 17811 2160 1 3 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.976 0.052 17811 2161 1 3 . 1 1 29 29 ALA C C 29 178.831 178.831 178.400 0.431 17811 2162 1 3 . 1 1 29 29 ALA CA C 29 56.038 56.038 54.203 1.835 17811 2163 1 3 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.349 -0.875 17811 2164 1 3 . 1 1 29 29 ALA H H 29 8.647 8.647 7.856 0.791 17811 2165 1 3 . 1 1 30 30 ASP N N 30 118.148 118.148 118.802 -0.654 17811 2166 1 3 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.018 0.661 17811 2167 1 3 . 1 1 30 30 ASP C C 30 180.089 180.089 178.094 1.995 17811 2168 1 3 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.328 0.833 17811 2169 1 3 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.441 -0.774 17811 2170 1 3 . 1 1 30 30 ASP H H 30 8.574 8.574 8.014 0.560 17811 2171 1 3 . 1 1 31 31 VAL N N 31 123.410 123.410 115.475 7.935 17811 2172 1 3 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.812 -0.017 17811 2173 1 3 . 1 1 31 31 VAL C C 31 180.070 180.070 177.391 2.679 17811 2174 1 3 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.442 1.282 17811 2175 1 3 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.781 -0.197 17811 2176 1 3 . 1 1 31 31 VAL H H 31 7.482 7.482 7.359 0.123 17811 2177 1 3 . 1 1 32 32 LEU N N 32 121.772 121.772 117.431 4.341 17811 2178 1 3 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.238 -0.372 17811 2179 1 3 . 1 1 32 32 LEU C C 32 178.249 178.249 178.487 -0.238 17811 2180 1 3 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.386 0.981 17811 2181 1 3 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.315 1.954 17811 2182 1 3 . 1 1 32 32 LEU H H 32 8.785 8.785 7.406 1.379 17811 2183 1 3 . 1 1 33 33 ALA N N 33 122.901 122.901 121.852 1.049 17811 2184 1 3 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.125 -0.515 17811 2185 1 3 . 1 1 33 33 ALA C C 33 179.808 179.808 179.582 0.226 17811 2186 1 3 . 1 1 33 33 ALA CA C 33 55.832 55.832 54.879 0.953 17811 2187 1 3 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.084 0.485 17811 2188 1 3 . 1 1 33 33 ALA H H 33 8.711 8.711 7.496 1.215 17811 2189 1 3 . 1 1 34 34 GLY N N 34 105.309 105.309 105.552 -0.243 17811 2190 1 3 . 1 1 34 34 GLY C C 34 176.184 176.184 176.175 0.009 17811 2191 1 3 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.191 0.599 17811 2192 1 3 . 1 1 34 34 GLY H H 34 7.665 7.665 7.588 0.077 17811 2193 1 3 . 1 1 35 35 ARG N N 35 121.117 121.117 119.304 1.813 17811 2194 1 3 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.320 -0.205 17811 2195 1 3 . 1 1 35 35 ARG C C 35 178.812 178.812 177.356 1.456 17811 2196 1 3 . 1 1 35 35 ARG CA C 35 59.394 59.394 56.471 2.923 17811 2197 1 3 . 1 1 35 35 ARG CB C 35 29.666 29.666 30.056 -0.390 17811 2198 1 3 . 1 1 35 35 ARG H H 35 7.623 7.623 7.709 -0.086 17811 2199 1 3 . 1 1 36 36 ILE N N 36 120.413 120.413 118.569 1.844 17811 2200 1 3 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.077 -0.355 17811 2201 1 3 . 1 1 36 36 ILE C C 36 177.142 177.142 175.853 1.289 17811 2202 1 3 . 1 1 36 36 ILE CA C 36 64.600 64.600 60.668 3.932 17811 2203 1 3 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.557 0.219 17811 2204 1 3 . 1 1 36 36 ILE H H 36 7.950 7.950 7.549 0.401 17811 2205 1 3 . 1 1 37 37 GLY N N 37 107.419 107.419 108.278 -0.859 17811 2206 1 3 . 1 1 37 37 GLY C C 37 174.307 174.307 174.005 0.302 17811 2207 1 3 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.748 0.672 17811 2208 1 3 . 1 1 37 37 GLY H H 37 8.305 8.305 7.516 0.789 17811 2209 1 3 . 1 1 38 38 SER N N 38 113.320 113.320 116.344 -3.024 17811 2210 1 3 . 1 1 38 38 SER HA H 38 4.683 4.683 4.836 -0.153 17811 2211 1 3 . 1 1 38 38 SER C C 38 171.472 171.472 172.779 -1.307 17811 2212 1 3 . 1 1 38 38 SER CA C 38 56.654 56.654 57.608 -0.954 17811 2213 1 3 . 1 1 38 38 SER CB C 38 66.244 66.244 66.411 -0.167 17811 2214 1 3 . 1 1 38 38 SER H H 38 7.101 7.101 7.731 -0.630 17811 2215 1 3 . 1 1 39 39 ALA N N 39 123.838 123.838 125.754 -1.916 17811 2216 1 3 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.771 -0.369 17811 2217 1 3 . 1 1 39 39 ALA C C 39 177.708 177.708 176.228 1.480 17811 2218 1 3 . 1 1 39 39 ALA CA C 39 50.695 50.695 51.009 -0.314 17811 2219 1 3 . 1 1 39 39 ALA CB C 39 20.624 20.624 21.479 -0.855 17811 2220 1 3 . 1 1 39 39 ALA H H 39 8.032 8.032 8.447 -0.415 17811 2221 1 3 . 1 1 40 40 PHE N N 40 118.117 118.117 119.636 -1.519 17811 2222 1 3 . 1 1 40 40 PHE HA H 40 4.039 4.039 4.993 -0.954 17811 2223 1 3 . 1 1 40 40 PHE C C 40 176.672 176.672 174.736 1.936 17811 2224 1 3 . 1 1 40 40 PHE CA C 40 59.942 59.942 55.610 4.332 17811 2225 1 3 . 1 1 40 40 PHE CB C 40 40.694 40.694 40.468 0.226 17811 2226 1 3 . 1 1 40 40 PHE H H 40 8.066 8.066 8.484 -0.418 17811 2227 1 3 . 1 1 41 41 LYS N N 41 120.915 120.915 120.116 0.799 17811 2228 1 3 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.613 0.149 17811 2229 1 3 . 1 1 41 41 LYS C C 41 176.034 176.034 174.414 1.620 17811 2230 1 3 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.641 0.095 17811 2231 1 3 . 1 1 41 41 LYS CB C 41 36.310 36.310 35.885 0.425 17811 2232 1 3 . 1 1 41 41 LYS H H 41 8.593 8.593 8.552 0.041 17811 2233 1 3 . 1 1 42 42 VAL N N 42 123.504 123.504 121.013 2.491 17811 2234 1 3 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.124 -0.292 17811 2235 1 3 . 1 1 42 42 VAL C C 42 175.377 175.377 174.804 0.573 17811 2236 1 3 . 1 1 42 42 VAL CA C 42 64.874 64.874 61.005 3.869 17811 2237 1 3 . 1 1 42 42 VAL CB C 42 31.926 31.926 32.557 -0.631 17811 2238 1 3 . 1 1 42 42 VAL H H 42 8.707 8.707 8.646 0.061 17811 2239 1 3 . 1 1 43 43 HIS N N 43 132.195 132.195 129.234 2.961 17811 2240 1 3 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.758 -0.233 17811 2241 1 3 . 1 1 43 43 HIS C C 43 175.104 175.104 173.988 1.116 17811 2242 1 3 . 1 1 43 43 HIS CA C 43 56.106 56.106 54.632 1.474 17811 2243 1 3 . 1 1 43 43 HIS CB C 43 31.721 31.721 30.828 0.892 17811 2244 1 3 . 1 1 43 43 HIS H H 43 9.354 9.354 8.393 0.961 17811 2245 1 3 . 1 1 45 45 LYS HA H 45 3.940 3.940 3.843 0.097 17811 2246 1 3 . 1 1 45 45 LYS C C 45 177.001 177.001 175.918 1.083 17811 2247 1 3 . 1 1 45 45 LYS CA C 45 58.367 58.367 58.671 -0.304 17811 2248 1 3 . 1 1 45 45 LYS CB C 45 32.200 32.200 31.135 1.065 17811 2249 1 3 . 1 1 46 46 SER N N 46 111.577 111.577 114.530 -2.953 17811 2250 1 3 . 1 1 46 46 SER HA H 46 4.414 4.414 4.199 0.215 17811 2251 1 3 . 1 1 46 46 SER C C 46 174.926 174.926 175.996 -1.070 17811 2252 1 3 . 1 1 46 46 SER CA C 46 60.011 60.011 57.707 2.304 17811 2253 1 3 . 1 1 46 46 SER CB C 46 65.354 65.354 63.279 2.075 17811 2254 1 3 . 1 1 46 46 SER H H 46 7.746 7.746 7.629 0.117 17811 2255 1 3 . 1 1 47 47 GLY N N 47 112.402 112.402 109.875 2.527 17811 2256 1 3 . 1 1 47 47 GLY C C 47 173.180 173.180 173.730 -0.550 17811 2257 1 3 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.816 0.399 17811 2258 1 3 . 1 1 47 47 GLY H H 47 8.692 8.692 8.202 0.490 17811 2259 1 3 . 1 1 48 48 ALA N N 48 120.322 120.322 123.126 -2.804 17811 2260 1 3 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.470 -0.054 17811 2261 1 3 . 1 1 48 48 ALA C C 48 175.621 175.621 176.860 -1.239 17811 2262 1 3 . 1 1 48 48 ALA CA C 48 51.585 51.585 50.929 0.656 17811 2263 1 3 . 1 1 48 48 ALA CB C 48 19.802 19.802 20.991 -1.189 17811 2264 1 3 . 1 1 48 48 ALA H H 48 7.740 7.740 8.168 -0.428 17811 2265 1 3 . 1 1 49 49 GLU N N 49 116.907 116.907 123.569 -6.662 17811 2266 1 3 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.687 0.239 17811 2267 1 3 . 1 1 49 49 GLU C C 49 176.184 176.184 176.076 0.108 17811 2268 1 3 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.796 -1.238 17811 2269 1 3 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.361 1.497 17811 2270 1 3 . 1 1 49 49 GLU H H 49 8.262 8.262 8.242 0.020 17811 2271 1 3 . 1 1 50 50 VAL N N 50 117.403 117.403 121.197 -3.794 17811 2272 1 3 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.483 0.357 17811 2273 1 3 . 1 1 50 50 VAL C C 50 176.053 176.053 174.411 1.642 17811 2274 1 3 . 1 1 50 50 VAL CA C 50 60.011 60.011 59.431 0.580 17811 2275 1 3 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.287 2.804 17811 2276 1 3 . 1 1 50 50 VAL H H 50 9.223 9.223 9.032 0.191 17811 2277 1 3 . 1 1 51 51 VAL N N 51 125.278 125.278 125.045 0.233 17811 2278 1 3 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.581 -0.430 17811 2279 1 3 . 1 1 51 51 VAL C C 51 173.706 173.706 174.557 -0.851 17811 2280 1 3 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.207 1.242 17811 2281 1 3 . 1 1 51 51 VAL CB C 51 35.899 35.899 35.421 0.478 17811 2282 1 3 . 1 1 51 51 VAL H H 51 9.266 9.266 8.808 0.458 17811 2283 1 3 . 1 1 52 52 THR N N 52 115.674 115.674 122.067 -6.393 17811 2284 1 3 . 1 1 52 52 THR HA H 52 5.168 5.168 4.994 0.174 17811 2285 1 3 . 1 1 52 52 THR C C 52 173.669 173.669 174.549 -0.880 17811 2286 1 3 . 1 1 52 52 THR CA C 52 58.709 58.709 60.595 -1.886 17811 2287 1 3 . 1 1 52 52 THR CB C 52 70.628 70.628 68.935 1.693 17811 2288 1 3 . 1 1 52 52 THR H H 52 8.243 8.243 8.382 -0.139 17811 2289 1 3 . 1 1 53 53 GLY N N 53 108.122 108.122 111.872 -3.750 17811 2290 1 3 . 1 1 53 53 GLY C C 53 170.721 170.721 171.670 -0.949 17811 2291 1 3 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.571 0.918 17811 2292 1 3 . 1 1 53 53 GLY H H 53 7.908 7.908 8.562 -0.654 17811 2293 1 3 . 1 1 54 54 ARG N N 54 120.750 120.750 120.197 0.553 17811 2294 1 3 . 1 1 54 54 ARG HA H 54 5.105 5.105 4.994 0.111 17811 2295 1 3 . 1 1 54 54 ARG C C 54 175.095 175.095 175.115 -0.020 17811 2296 1 3 . 1 1 54 54 ARG CA C 54 55.010 55.010 54.985 0.025 17811 2297 1 3 . 1 1 54 54 ARG CB C 54 32.474 32.474 31.498 0.976 17811 2298 1 3 . 1 1 54 54 ARG H H 54 8.379 8.379 8.463 -0.084 17811 2299 1 3 . 1 1 55 55 LEU N N 55 123.787 123.787 126.083 -2.296 17811 2300 1 3 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.633 -0.206 17811 2301 1 3 . 1 1 55 55 LEU C C 55 175.058 175.058 177.314 -2.256 17811 2302 1 3 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.964 -0.392 17811 2303 1 3 . 1 1 55 55 LEU CB C 55 45.968 45.968 42.700 3.268 17811 2304 1 3 . 1 1 55 55 LEU H H 55 8.777 8.777 8.058 0.719 17811 2305 1 3 . 1 1 56 56 ALA N N 56 127.548 127.548 128.692 -1.144 17811 2306 1 3 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.980 -0.050 17811 2307 1 3 . 1 1 56 56 ALA C C 56 177.855 177.855 176.785 1.070 17811 2308 1 3 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.717 -0.625 17811 2309 1 3 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.610 -0.000 17811 2310 1 3 . 1 1 56 56 ALA H H 56 9.275 9.275 9.165 0.110 17811 2311 1 3 . 1 1 57 57 GLY N N 57 103.215 103.215 107.289 -4.074 17811 2312 1 3 . 1 1 57 57 GLY C C 57 174.157 174.157 174.140 0.017 17811 2313 1 3 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.137 0.557 17811 2314 1 3 . 1 1 57 57 GLY H H 57 8.507 8.507 8.459 0.048 17811 2315 1 3 . 1 1 58 58 THR N N 58 119.802 119.802 119.148 0.654 17811 2316 1 3 . 1 1 58 58 THR HA H 58 4.411 4.411 4.315 0.096 17811 2317 1 3 . 1 1 58 58 THR C C 58 172.711 172.711 173.679 -0.968 17811 2318 1 3 . 1 1 58 58 THR CA C 58 62.134 62.134 62.630 -0.496 17811 2319 1 3 . 1 1 58 58 THR CB C 58 71.313 71.313 69.484 1.830 17811 2320 1 3 . 1 1 58 58 THR H H 58 8.017 8.017 7.896 0.121 17811 2321 1 3 . 1 1 59 59 SER N N 59 122.901 122.901 119.234 3.667 17811 2322 1 3 . 1 1 59 59 SER HA H 59 4.492 4.492 4.956 -0.464 17811 2323 1 3 . 1 1 59 59 SER C C 59 173.537 173.537 173.963 -0.426 17811 2324 1 3 . 1 1 59 59 SER CA C 59 59.600 59.600 57.742 1.858 17811 2325 1 3 . 1 1 59 59 SER CB C 59 63.367 63.367 63.869 -0.502 17811 2326 1 3 . 1 1 59 59 SER H H 59 9.013 9.013 8.439 0.574 17811 2327 1 3 . 1 1 60 60 VAL N N 60 119.354 119.354 120.357 -1.003 17811 2328 1 3 . 1 1 60 60 VAL HA H 60 5.060 5.060 5.074 -0.014 17811 2329 1 3 . 1 1 60 60 VAL C C 60 174.926 174.926 173.994 0.932 17811 2330 1 3 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.306 0.020 17811 2331 1 3 . 1 1 60 60 VAL CB C 60 36.378 36.378 35.474 0.904 17811 2332 1 3 . 1 1 60 60 VAL H H 60 8.836 8.836 9.171 -0.335 17811 2333 1 3 . 1 1 61 61 VAL N N 61 124.480 124.480 121.736 2.744 17811 2334 1 3 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.464 -0.299 17811 2335 1 3 . 1 1 61 61 VAL C C 61 173.218 173.218 174.493 -1.275 17811 2336 1 3 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.822 1.107 17811 2337 1 3 . 1 1 61 61 VAL CB C 61 32.474 32.474 32.818 -0.344 17811 2338 1 3 . 1 1 61 61 VAL H H 61 8.507 8.507 8.855 -0.348 17811 2339 1 3 . 1 1 62 62 LEU N N 62 129.499 129.499 130.368 -0.869 17811 2340 1 3 . 1 1 62 62 LEU HA H 62 5.472 5.472 4.914 0.558 17811 2341 1 3 . 1 1 62 62 LEU C C 62 175.095 175.095 174.515 0.580 17811 2342 1 3 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.102 -0.352 17811 2343 1 3 . 1 1 62 62 LEU CB C 62 44.872 44.872 42.721 2.151 17811 2344 1 3 . 1 1 62 62 LEU H H 62 9.202 9.202 8.343 0.859 17811 2345 1 3 . 1 1 63 63 ALA N N 63 126.661 126.661 130.325 -3.664 17811 2346 1 3 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.555 0.317 17811 2347 1 3 . 1 1 63 63 ALA C C 63 175.583 175.583 175.332 0.251 17811 2348 1 3 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.140 0.144 17811 2349 1 3 . 1 1 63 63 ALA CB C 63 25.556 25.556 22.844 2.712 17811 2350 1 3 . 1 1 63 63 ALA H H 63 9.567 9.567 9.306 0.261 17811 2351 1 3 . 1 1 64 64 LYS N N 64 117.967 117.967 120.731 -2.764 17811 2352 1 3 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.591 -0.591 17811 2353 1 3 . 1 1 64 64 LYS C C 64 174.057 174.057 173.592 0.465 17811 2354 1 3 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.833 0.465 17811 2355 1 3 . 1 1 64 64 LYS CB C 64 34.734 34.734 34.176 0.558 17811 2356 1 3 . 1 1 64 64 LYS H H 64 8.422 8.422 8.977 -0.555 17811 2357 1 3 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.820 -0.286 17811 2358 1 3 . 1 1 65 65 PRO C C 65 174.946 174.946 176.904 -1.958 17811 2359 1 3 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.517 0.165 17811 2360 1 3 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.865 -0.117 17811 2361 1 3 . 1 1 66 66 ARG N N 66 121.057 121.057 117.984 3.073 17811 2362 1 3 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.523 -0.006 17811 2363 1 3 . 1 1 66 66 ARG C C 66 175.264 175.264 175.914 -0.650 17811 2364 1 3 . 1 1 66 66 ARG CA C 66 54.942 54.942 55.134 -0.192 17811 2365 1 3 . 1 1 66 66 ARG CB C 66 31.241 31.241 31.012 0.229 17811 2366 1 3 . 1 1 66 66 ARG H H 66 9.377 9.377 8.273 1.104 17811 2367 1 3 . 1 1 67 67 CYS N N 67 115.093 115.093 117.964 -2.871 17811 2368 1 3 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.425 0.281 17811 2369 1 3 . 1 1 67 67 CYS C C 67 172.092 172.092 174.178 -2.086 17811 2370 1 3 . 1 1 67 67 CYS CA C 67 54.325 54.325 58.272 -3.947 17811 2371 1 3 . 1 1 67 67 CYS CB C 67 30.899 30.899 29.828 1.071 17811 2372 1 3 . 1 1 67 67 CYS H H 67 7.303 7.303 7.559 -0.256 17811 2373 1 3 . 1 1 68 68 TYR N N 68 115.888 115.888 119.314 -3.426 17811 2374 1 3 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.415 0.005 17811 2375 1 3 . 1 1 68 68 TYR C C 68 178.080 178.080 177.254 0.826 17811 2376 1 3 . 1 1 68 68 TYR CA C 68 59.874 59.874 57.095 2.779 17811 2377 1 3 . 1 1 68 68 TYR CB C 68 38.365 38.365 37.974 0.391 17811 2378 1 3 . 1 1 68 68 TYR H H 68 8.201 8.201 7.831 0.370 17811 2379 1 3 . 1 1 69 69 MET N N 69 119.802 119.802 116.216 3.586 17811 2380 1 3 . 1 1 69 69 MET HA H 69 4.137 4.137 4.051 0.086 17811 2381 1 3 . 1 1 69 69 MET C C 69 175.076 175.076 177.486 -2.410 17811 2382 1 3 . 1 1 69 69 MET CA C 69 58.641 58.641 58.488 0.153 17811 2383 1 3 . 1 1 69 69 MET CB C 69 33.090 33.090 32.149 0.941 17811 2384 1 3 . 1 1 69 69 MET H H 69 8.367 8.367 8.661 -0.294 17811 2385 1 3 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.491 -0.196 17811 2386 1 3 . 1 1 70 70 ASN C C 70 175.274 175.274 177.319 -2.045 17811 2387 1 3 . 1 1 70 70 ASN CA C 70 55.284 55.284 56.139 -0.855 17811 2388 1 3 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.652 -1.178 17811 2389 1 3 . 1 1 71 71 GLU N N 71 117.111 117.111 117.683 -0.572 17811 2390 1 3 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.452 0.302 17811 2391 1 3 . 1 1 71 71 GLU C C 71 176.823 176.823 177.491 -0.668 17811 2392 1 3 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.394 -0.973 17811 2393 1 3 . 1 1 71 71 GLU CB C 71 31.036 31.036 30.042 0.994 17811 2394 1 3 . 1 1 71 71 GLU H H 71 8.007 8.007 8.020 -0.013 17811 2395 1 3 . 1 1 72 72 SER N N 72 115.827 115.827 116.199 -0.372 17811 2396 1 3 . 1 1 72 72 SER HA H 72 4.726 4.726 4.169 0.557 17811 2397 1 3 . 1 1 72 72 SER C C 72 177.029 177.029 176.440 0.589 17811 2398 1 3 . 1 1 72 72 SER CA C 72 63.778 63.778 61.798 1.980 17811 2399 1 3 . 1 1 72 72 SER CB C 72 63.890 63.890 62.763 1.127 17811 2400 1 3 . 1 1 72 72 SER H H 72 7.703 7.703 7.794 -0.091 17811 2401 1 3 . 1 1 73 73 GLY N N 73 109.887 109.887 107.583 2.304 17811 2402 1 3 . 1 1 73 73 GLY C C 73 173.988 173.988 175.348 -1.360 17811 2403 1 3 . 1 1 73 73 GLY CA C 73 48.434 48.434 45.931 2.503 17811 2404 1 3 . 1 1 73 73 GLY H H 73 9.527 9.527 8.314 1.213 17811 2405 1 3 . 1 1 74 74 ARG N N 74 119.068 119.068 119.312 -0.244 17811 2406 1 3 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.246 -0.067 17811 2407 1 3 . 1 1 74 74 ARG C C 74 176.973 176.973 178.922 -1.949 17811 2408 1 3 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.338 0.686 17811 2409 1 3 . 1 1 74 74 ARG CB C 74 29.666 29.666 30.017 -0.351 17811 2410 1 3 . 1 1 74 74 ARG H H 74 8.207 8.207 7.471 0.736 17811 2411 1 3 . 1 1 75 75 GLN N N 75 113.474 113.474 119.008 -5.534 17811 2412 1 3 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.119 0.504 17811 2413 1 3 . 1 1 75 75 GLN C C 75 175.840 175.840 177.606 -1.766 17811 2414 1 3 . 1 1 75 75 GLN CA C 75 57.613 57.613 58.540 -0.927 17811 2415 1 3 . 1 1 75 75 GLN CB C 75 29.597 29.597 28.467 1.130 17811 2416 1 3 . 1 1 75 75 GLN H H 75 7.260 7.260 7.757 -0.497 17811 2417 1 3 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.691 -0.261 17811 2418 1 3 . 1 1 76 76 VAL C C 76 176.463 176.463 177.468 -1.005 17811 2419 1 3 . 1 1 76 76 VAL CA C 76 66.998 66.998 65.443 1.555 17811 2420 1 3 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.042 1.432 17811 2421 1 3 . 1 1 77 77 GLY N N 77 104.918 104.918 108.519 -3.601 17811 2422 1 3 . 1 1 77 77 GLY C C 77 175.472 175.472 173.411 2.061 17811 2423 1 3 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.175 0.054 17811 2424 1 3 . 1 1 77 77 GLY H H 77 8.541 8.541 7.750 0.791 17811 2425 1 3 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.443 -0.226 17811 2426 1 3 . 1 1 78 78 PRO C C 78 179.208 179.208 178.491 0.717 17811 2427 1 3 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.500 -0.352 17811 2428 1 3 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.250 1.018 17811 2429 1 3 . 1 1 79 79 LEU N N 79 119.649 119.649 119.702 -0.053 17811 2430 1 3 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.045 -0.091 17811 2431 1 3 . 1 1 79 79 LEU C C 79 177.367 177.367 178.865 -1.498 17811 2432 1 3 . 1 1 79 79 LEU CA C 79 58.504 58.504 57.928 0.576 17811 2433 1 3 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.000 1.886 17811 2434 1 3 . 1 1 79 79 LEU H H 79 7.466 7.466 7.521 -0.055 17811 2435 1 3 . 1 1 80 80 ALA N N 80 120.470 120.470 120.099 0.371 17811 2436 1 3 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.069 -0.181 17811 2437 1 3 . 1 1 80 80 ALA C C 80 179.939 179.939 179.426 0.513 17811 2438 1 3 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.461 0.029 17811 2439 1 3 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.616 -1.006 17811 2440 1 3 . 1 1 80 80 ALA H H 80 8.279 8.279 7.942 0.337 17811 2441 1 3 . 1 1 81 81 LYS N N 81 116.408 116.408 118.174 -1.766 17811 2442 1 3 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.133 -0.039 17811 2443 1 3 . 1 1 81 81 LYS C C 81 179.920 179.920 178.784 1.136 17811 2444 1 3 . 1 1 81 81 LYS CA C 81 58.915 58.915 59.218 -0.303 17811 2445 1 3 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.257 0.080 17811 2446 1 3 . 1 1 81 81 LYS H H 81 7.798 7.798 7.646 0.152 17811 2447 1 3 . 1 1 82 82 PHE N N 82 121.199 121.199 120.586 0.613 17811 2448 1 3 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.155 -0.120 17811 2449 1 3 . 1 1 82 82 PHE C C 82 177.254 177.254 177.898 -0.644 17811 2450 1 3 . 1 1 82 82 PHE CA C 82 61.449 61.449 61.736 -0.287 17811 2451 1 3 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.777 0.136 17811 2452 1 3 . 1 1 82 82 PHE H H 82 8.489 8.489 8.597 -0.108 17811 2453 1 3 . 1 1 83 83 TYR N N 83 114.176 114.176 114.567 -0.391 17811 2454 1 3 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.481 -0.077 17811 2455 1 3 . 1 1 83 83 TYR C C 83 173.368 173.368 175.287 -1.919 17811 2456 1 3 . 1 1 83 83 TYR CA C 83 59.600 59.600 59.234 0.366 17811 2457 1 3 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.529 0.521 17811 2458 1 3 . 1 1 83 83 TYR H H 83 7.634 7.634 7.586 0.048 17811 2459 1 3 . 1 1 84 84 SER N N 84 114.910 114.910 112.776 2.134 17811 2460 1 3 . 1 1 84 84 SER HA H 84 4.020 4.020 4.256 -0.236 17811 2461 1 3 . 1 1 84 84 SER C C 84 173.518 173.518 174.033 -0.515 17811 2462 1 3 . 1 1 84 84 SER CA C 84 58.367 58.367 59.462 -1.095 17811 2463 1 3 . 1 1 84 84 SER CB C 84 61.244 61.244 61.041 0.203 17811 2464 1 3 . 1 1 84 84 SER H H 84 7.674 7.674 7.844 -0.170 17811 2465 1 3 . 1 1 85 85 VAL N N 85 120.291 120.291 116.229 4.062 17811 2466 1 3 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.559 -0.602 17811 2467 1 3 . 1 1 85 85 VAL C C 85 174.171 174.171 173.871 0.300 17811 2468 1 3 . 1 1 85 85 VAL CA C 85 59.326 59.326 59.011 0.315 17811 2469 1 3 . 1 1 85 85 VAL CB C 85 33.296 33.296 32.566 0.730 17811 2470 1 3 . 1 1 85 85 VAL H H 85 8.456 8.456 7.523 0.933 17811 2471 1 3 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.679 -0.323 17811 2472 1 3 . 1 1 89 89 GLN C C 89 179.299 179.299 176.462 2.837 17811 2473 1 3 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.608 1.224 17811 2474 1 3 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.485 -0.230 17811 2475 1 3 . 1 1 90 90 ILE N N 90 119.343 119.343 122.864 -3.521 17811 2476 1 3 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.206 -0.144 17811 2477 1 3 . 1 1 90 90 ILE C C 90 175.020 175.020 174.888 0.132 17811 2478 1 3 . 1 1 90 90 ILE CA C 90 60.627 60.627 62.436 -1.809 17811 2479 1 3 . 1 1 90 90 ILE CB C 90 38.365 38.365 38.383 -0.018 17811 2480 1 3 . 1 1 90 90 ILE H H 90 7.728 7.728 7.765 -0.037 17811 2481 1 3 . 1 1 91 91 VAL N N 91 127.979 127.979 127.911 0.068 17811 2482 1 3 . 1 1 91 91 VAL HA H 91 4.454 4.454 5.453 -0.999 17811 2483 1 3 . 1 1 91 91 VAL C C 91 174.119 174.119 173.610 0.509 17811 2484 1 3 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.348 1.142 17811 2485 1 3 . 1 1 91 91 VAL CB C 91 34.597 34.597 35.419 -0.822 17811 2486 1 3 . 1 1 91 91 VAL H H 91 9.358 9.358 9.096 0.262 17811 2487 1 3 . 1 1 92 92 VAL N N 92 127.153 127.153 128.821 -1.668 17811 2488 1 3 . 1 1 92 92 VAL HA H 92 4.155 4.155 4.874 -0.719 17811 2489 1 3 . 1 1 92 92 VAL C C 92 174.326 174.326 173.809 0.517 17811 2490 1 3 . 1 1 92 92 VAL CA C 92 61.107 61.107 59.386 1.721 17811 2491 1 3 . 1 1 92 92 VAL CB C 92 33.570 33.570 35.042 -1.472 17811 2492 1 3 . 1 1 92 92 VAL H H 92 9.268 9.268 9.112 0.156 17811 2493 1 3 . 1 1 93 93 ILE N N 93 128.894 128.894 129.193 -0.299 17811 2494 1 3 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.435 0.565 17811 2495 1 3 . 1 1 93 93 ILE C C 93 174.945 174.945 174.374 0.571 17811 2496 1 3 . 1 1 93 93 ILE CA C 93 60.970 60.970 59.922 1.048 17811 2497 1 3 . 1 1 93 93 ILE CB C 93 39.461 39.461 36.129 3.332 17811 2498 1 3 . 1 1 93 93 ILE H H 93 9.198 9.198 8.498 0.700 17811 2499 1 3 . 1 1 94 94 HIS N N 94 121.624 121.624 127.605 -5.981 17811 2500 1 3 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.976 0.448 17811 2501 1 3 . 1 1 94 94 HIS C C 94 171.510 171.510 173.134 -1.624 17811 2502 1 3 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.511 -0.324 17811 2503 1 3 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.298 -1.550 17811 2504 1 3 . 1 1 94 94 HIS H H 94 8.762 8.762 7.934 0.828 17811 2505 1 3 . 1 1 95 95 ASP N N 95 115.353 115.353 122.605 -7.252 17811 2506 1 3 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.622 0.482 17811 2507 1 3 . 1 1 95 95 ASP C C 95 177.555 177.555 174.713 2.842 17811 2508 1 3 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.464 -0.646 17811 2509 1 3 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.426 0.638 17811 2510 1 3 . 1 1 95 95 ASP H H 95 10.045 10.045 7.890 2.155 17811 2511 1 3 . 1 1 96 96 GLU N N 96 125.562 125.562 121.161 4.401 17811 2512 1 3 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.812 0.422 17811 2513 1 3 . 1 1 96 96 GLU C C 96 175.245 175.245 176.437 -1.192 17811 2514 1 3 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.850 -0.251 17811 2515 1 3 . 1 1 96 96 GLU CB C 96 34.255 34.255 33.834 0.421 17811 2516 1 3 . 1 1 96 96 GLU H H 96 9.100 9.100 8.964 0.136 17811 2517 1 3 . 1 1 97 97 LEU N N 97 130.882 130.882 120.783 10.099 17811 2518 1 3 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.585 -0.077 17811 2519 1 3 . 1 1 97 97 LEU C C 97 177.911 177.911 177.681 0.230 17811 2520 1 3 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.238 0.690 17811 2521 1 3 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.659 1.980 17811 2522 1 3 . 1 1 97 97 LEU H H 97 8.774 8.774 8.646 0.128 17811 2523 1 3 . 1 1 98 98 ASP N N 98 114.282 114.282 120.341 -6.059 17811 2524 1 3 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.365 0.100 17811 2525 1 3 . 1 1 98 98 ASP C C 98 175.339 175.339 176.661 -1.322 17811 2526 1 3 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.956 -0.987 17811 2527 1 3 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.099 -0.474 17811 2528 1 3 . 1 1 98 98 ASP H H 98 8.729 8.729 8.604 0.125 17811 2529 1 3 . 1 1 99 99 ILE N N 99 116.163 116.163 112.790 3.373 17811 2530 1 3 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.381 -0.495 17811 2531 1 3 . 1 1 99 99 ILE C C 99 174.044 174.044 173.893 0.151 17811 2532 1 3 . 1 1 99 99 ILE CA C 99 59.394 59.394 59.365 0.029 17811 2533 1 3 . 1 1 99 99 ILE CB C 99 40.968 40.968 40.761 0.207 17811 2534 1 3 . 1 1 99 99 ILE H H 99 7.149 7.149 7.232 -0.083 17811 2535 1 3 . 1 1 100 100 ASP N N 100 122.370 122.370 119.549 2.821 17811 2536 1 3 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.366 -0.065 17811 2537 1 3 . 1 1 100 100 ASP C C 100 175.321 175.321 176.037 -0.716 17811 2538 1 3 . 1 1 100 100 ASP CA C 100 55.216 55.216 54.083 1.133 17811 2539 1 3 . 1 1 100 100 ASP CB C 100 41.584 41.584 41.725 -0.141 17811 2540 1 3 . 1 1 100 100 ASP H H 100 8.109 8.109 8.141 -0.032 17811 2541 1 3 . 1 1 101 101 PHE N N 101 119.674 119.674 118.444 1.230 17811 2542 1 3 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.590 -0.557 17811 2543 1 3 . 1 1 101 101 PHE C C 101 176.654 176.654 177.931 -1.277 17811 2544 1 3 . 1 1 101 101 PHE CA C 101 59.463 59.463 59.459 0.004 17811 2545 1 3 . 1 1 101 101 PHE CB C 101 39.324 39.324 38.986 0.338 17811 2546 1 3 . 1 1 101 101 PHE H H 101 8.598 8.598 8.270 0.328 17811 2547 1 3 . 1 1 102 102 GLY N N 102 116.800 116.800 111.690 5.110 17811 2548 1 3 . 1 1 102 102 GLY C C 102 172.749 172.749 173.348 -0.599 17811 2549 1 3 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.256 -0.041 17811 2550 1 3 . 1 1 102 102 GLY H H 102 8.550 8.550 8.744 -0.194 17811 2551 1 3 . 1 1 103 103 ARG N N 103 118.304 118.304 119.095 -0.791 17811 2552 1 3 . 1 1 103 103 ARG HA H 103 4.538 4.538 5.005 -0.467 17811 2553 1 3 . 1 1 103 103 ARG C C 103 175.114 175.114 174.450 0.664 17811 2554 1 3 . 1 1 103 103 ARG CA C 103 54.736 54.736 53.205 1.531 17811 2555 1 3 . 1 1 103 103 ARG CB C 103 31.310 31.310 32.982 -1.672 17811 2556 1 3 . 1 1 103 103 ARG H H 103 7.730 7.730 7.530 0.200 17811 2557 1 3 . 1 1 104 104 ILE N N 104 122.440 122.440 116.908 5.532 17811 2558 1 3 . 1 1 104 104 ILE HA H 104 4.971 4.971 5.357 -0.386 17811 2559 1 3 . 1 1 104 104 ILE C C 104 175.884 175.884 174.624 1.260 17811 2560 1 3 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.351 0.454 17811 2561 1 3 . 1 1 104 104 ILE CB C 104 40.968 40.968 42.313 -1.345 17811 2562 1 3 . 1 1 104 104 ILE H H 104 8.687 8.687 8.544 0.143 17811 2563 1 3 . 1 1 105 105 ARG N N 105 124.391 124.391 121.753 2.638 17811 2564 1 3 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.768 0.134 17811 2565 1 3 . 1 1 105 105 ARG C C 105 174.157 174.157 174.289 -0.132 17811 2566 1 3 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.779 -2.865 17811 2567 1 3 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.904 0.693 17811 2568 1 3 . 1 1 105 105 ARG H H 105 9.025 9.025 8.806 0.219 17811 2569 1 3 . 1 1 106 106 LEU N N 106 123.612 123.612 125.168 -1.556 17811 2570 1 3 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.756 0.775 17811 2571 1 3 . 1 1 106 106 LEU C C 106 178.303 178.303 176.598 1.705 17811 2572 1 3 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.294 -1.133 17811 2573 1 3 . 1 1 106 106 LEU CB C 106 45.420 45.420 42.583 2.837 17811 2574 1 3 . 1 1 106 106 LEU H H 106 11.263 11.263 8.750 2.513 17811 2575 1 3 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.572 -0.496 17811 2576 1 3 . 1 1 107 107 LYS C C 107 175.241 175.241 174.372 0.869 17811 2577 1 3 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.055 1.364 17811 2578 1 3 . 1 1 107 107 LYS CB C 107 38.913 38.913 36.692 2.221 17811 2579 1 3 . 1 1 108 108 LEU N N 108 125.733 125.733 122.012 3.721 17811 2580 1 3 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.562 0.101 17811 2581 1 3 . 1 1 108 108 LEU C C 108 176.152 176.152 176.218 -0.066 17811 2582 1 3 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.962 -0.637 17811 2583 1 3 . 1 1 108 108 LEU CB C 108 42.374 42.374 42.175 0.199 17811 2584 1 3 . 1 1 108 108 LEU H H 108 8.488 8.488 8.396 0.092 17811 2585 1 3 . 1 1 109 109 GLY N N 109 113.088 113.088 111.852 1.236 17811 2586 1 3 . 1 1 109 109 GLY C C 109 171.829 171.829 173.575 -1.746 17811 2587 1 3 . 1 1 109 109 GLY CA C 109 44.461 44.461 44.441 0.019 17811 2588 1 3 . 1 1 109 109 GLY H H 109 7.427 7.427 7.935 -0.508 17811 2589 1 3 . 1 1 110 110 GLY N N 110 102.747 102.747 106.657 -3.910 17811 2590 1 3 . 1 1 110 110 GLY C C 110 174.538 174.538 173.561 0.977 17811 2591 1 3 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.176 -0.126 17811 2592 1 3 . 1 1 110 110 GLY H H 110 7.685 7.685 8.473 -0.788 17811 2593 1 3 . 1 1 111 111 GLY N N 111 117.376 117.376 104.334 13.042 17811 2594 1 3 . 1 1 111 111 GLY C C 111 172.020 172.020 173.944 -1.924 17811 2595 1 3 . 1 1 111 111 GLY CA C 111 43.845 43.845 45.534 -1.689 17811 2596 1 3 . 1 1 111 111 GLY H H 111 8.252 8.252 7.891 0.361 17811 2597 1 3 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.380 -0.186 17811 2598 1 3 . 1 1 112 112 GLU C C 112 177.997 177.997 177.289 0.708 17811 2599 1 3 . 1 1 112 112 GLU CA C 112 57.202 57.202 55.196 2.006 17811 2600 1 3 . 1 1 112 112 GLU CB C 112 29.489 29.489 30.315 -0.826 17811 2601 1 3 . 1 1 113 113 GLY N N 113 110.029 110.029 109.983 0.046 17811 2602 1 3 . 1 1 113 113 GLY C C 113 175.583 175.583 175.292 0.291 17811 2603 1 3 . 1 1 113 113 GLY CA C 113 46.996 46.996 46.164 0.831 17811 2604 1 3 . 1 1 113 113 GLY H H 113 8.638 8.638 8.209 0.429 17811 2605 1 3 . 1 1 114 114 GLY N N 114 107.830 107.830 110.162 -2.332 17811 2606 1 3 . 1 1 114 114 GLY C C 114 173.838 173.838 174.535 -0.697 17811 2607 1 3 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.908 0.444 17811 2608 1 3 . 1 1 114 114 GLY H H 114 8.579 8.579 8.124 0.455 17811 2609 1 3 . 1 1 115 115 HIS N N 115 122.890 122.890 123.955 -1.065 17811 2610 1 3 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.145 0.558 17811 2611 1 3 . 1 1 115 115 HIS C C 115 176.520 176.520 177.107 -0.587 17811 2612 1 3 . 1 1 115 115 HIS CA C 115 57.956 57.956 61.957 -4.001 17811 2613 1 3 . 1 1 115 115 HIS CB C 115 32.405 32.405 30.058 2.347 17811 2614 1 3 . 1 1 115 115 HIS H H 115 7.830 7.830 8.426 -0.596 17811 2615 1 3 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.474 -0.178 17811 2616 1 3 . 1 1 116 116 ASN C C 116 178.246 178.246 177.742 0.504 17811 2617 1 3 . 1 1 116 116 ASN CA C 116 56.380 56.380 56.577 -0.197 17811 2618 1 3 . 1 1 116 116 ASN CB C 116 36.721 36.721 37.613 -0.892 17811 2619 1 3 . 1 1 117 117 GLY N N 117 113.570 113.570 108.555 5.015 17811 2620 1 3 . 1 1 117 117 GLY C C 117 175.114 175.114 175.798 -0.684 17811 2621 1 3 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.753 0.654 17811 2622 1 3 . 1 1 117 117 GLY H H 117 9.245 9.245 8.260 0.985 17811 2623 1 3 . 1 1 118 118 LEU N N 118 123.746 123.746 121.833 1.913 17811 2624 1 3 . 1 1 118 118 LEU HA H 118 3.836 3.836 3.915 -0.079 17811 2625 1 3 . 1 1 118 118 LEU C C 118 179.150 179.150 178.999 0.151 17811 2626 1 3 . 1 1 118 118 LEU CA C 118 58.093 58.093 57.356 0.737 17811 2627 1 3 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.362 0.976 17811 2628 1 3 . 1 1 118 118 LEU H H 118 8.133 8.133 8.046 0.087 17811 2629 1 3 . 1 1 119 119 ARG N N 119 117.495 117.495 119.163 -1.668 17811 2630 1 3 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.019 0.042 17811 2631 1 3 . 1 1 119 119 ARG C C 119 178.400 178.400 178.851 -0.451 17811 2632 1 3 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.228 1.509 17811 2633 1 3 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.118 1.370 17811 2634 1 3 . 1 1 119 119 ARG H H 119 8.234 8.234 7.994 0.240 17811 2635 1 3 . 1 1 120 120 SER N N 120 112.769 112.769 115.302 -2.533 17811 2636 1 3 . 1 1 120 120 SER HA H 120 4.218 4.218 4.243 -0.025 17811 2637 1 3 . 1 1 120 120 SER C C 120 178.568 178.568 176.691 1.877 17811 2638 1 3 . 1 1 120 120 SER CA C 120 60.901 60.901 61.584 -0.683 17811 2639 1 3 . 1 1 120 120 SER CB C 120 63.367 63.367 62.882 0.485 17811 2640 1 3 . 1 1 120 120 SER H H 120 7.283 7.283 7.683 -0.400 17811 2641 1 3 . 1 1 121 121 VAL N N 121 120.291 120.291 121.760 -1.469 17811 2642 1 3 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.623 -0.364 17811 2643 1 3 . 1 1 121 121 VAL C C 121 176.485 176.485 177.468 -0.983 17811 2644 1 3 . 1 1 121 121 VAL CA C 121 68.094 68.094 66.420 1.674 17811 2645 1 3 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.405 0.179 17811 2646 1 3 . 1 1 121 121 VAL H H 121 8.263 8.263 7.606 0.657 17811 2647 1 3 . 1 1 122 122 ALA N N 122 120.702 120.702 121.155 -0.453 17811 2648 1 3 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.201 0.284 17811 2649 1 3 . 1 1 122 122 ALA C C 122 181.178 181.178 179.870 1.308 17811 2650 1 3 . 1 1 122 122 ALA CA C 122 55.284 55.284 54.764 0.520 17811 2651 1 3 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.303 0.266 17811 2652 1 3 . 1 1 122 122 ALA H H 122 8.708 8.708 8.339 0.369 17811 2653 1 3 . 1 1 123 123 SER N N 123 113.198 113.198 114.176 -0.978 17811 2654 1 3 . 1 1 123 123 SER HA H 123 4.049 4.049 4.320 -0.271 17811 2655 1 3 . 1 1 123 123 SER C C 123 176.672 176.672 175.779 0.893 17811 2656 1 3 . 1 1 123 123 SER CA C 123 61.312 61.312 60.210 1.102 17811 2657 1 3 . 1 1 123 123 SER CB C 123 62.888 62.888 63.199 -0.311 17811 2658 1 3 . 1 1 123 123 SER H H 123 8.137 8.137 7.868 0.269 17811 2659 1 3 . 1 1 124 124 ALA N N 124 122.798 122.798 123.477 -0.679 17811 2660 1 3 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.241 -0.105 17811 2661 1 3 . 1 1 124 124 ALA C C 124 180.052 180.052 179.587 0.465 17811 2662 1 3 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.231 0.437 17811 2663 1 3 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.965 0.905 17811 2664 1 3 . 1 1 124 124 ALA H H 124 7.692 7.692 7.796 -0.104 17811 2665 1 3 . 1 1 125 125 LEU N N 125 114.359 114.359 116.502 -2.143 17811 2666 1 3 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.178 0.013 17811 2667 1 3 . 1 1 125 125 LEU C C 125 178.024 178.024 178.316 -0.292 17811 2668 1 3 . 1 1 125 125 LEU CA C 125 55.490 55.490 56.235 -0.745 17811 2669 1 3 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.571 0.383 17811 2670 1 3 . 1 1 125 125 LEU H H 125 8.219 8.219 8.022 0.197 17811 2671 1 3 . 1 1 126 126 GLY N N 126 106.746 106.746 105.641 1.105 17811 2672 1 3 . 1 1 126 126 GLY C C 126 173.124 173.124 173.873 -0.749 17811 2673 1 3 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.761 -0.204 17811 2674 1 3 . 1 1 126 126 GLY H H 126 7.910 7.910 8.060 -0.150 17811 2675 1 3 . 1 1 127 127 THR N N 127 112.372 112.372 112.047 0.325 17811 2676 1 3 . 1 1 127 127 THR HA H 127 4.586 4.586 4.550 0.036 17811 2677 1 3 . 1 1 127 127 THR C C 127 170.252 170.252 173.087 -2.835 17811 2678 1 3 . 1 1 127 127 THR CA C 127 59.463 59.463 60.123 -0.660 17811 2679 1 3 . 1 1 127 127 THR CB C 127 67.751 67.751 70.975 -3.224 17811 2680 1 3 . 1 1 127 127 THR H H 127 7.611 7.611 7.563 0.048 17811 2681 1 3 . 1 1 128 128 LYS N N 128 120.933 120.933 120.883 0.050 17811 2682 1 3 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.290 0.024 17811 2683 1 3 . 1 1 128 128 LYS C C 128 178.400 178.400 175.107 3.293 17811 2684 1 3 . 1 1 128 128 LYS CA C 128 56.038 56.038 55.507 0.531 17811 2685 1 3 . 1 1 128 128 LYS CB C 128 32.748 32.748 33.192 -0.444 17811 2686 1 3 . 1 1 128 128 LYS H H 128 8.075 8.075 8.227 -0.152 17811 2687 1 3 . 1 1 129 129 ASN N N 129 124.675 124.675 114.343 10.332 17811 2688 1 3 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.316 -0.012 17811 2689 1 3 . 1 1 129 129 ASN C C 129 171.284 171.284 173.669 -2.385 17811 2690 1 3 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.565 0.555 17811 2691 1 3 . 1 1 129 129 ASN CB C 129 37.063 37.063 37.382 -0.319 17811 2692 1 3 . 1 1 129 129 ASN H H 129 8.736 8.736 8.316 0.420 17811 2693 1 3 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.752 0.339 17811 2694 1 3 . 1 1 131 131 HIS C C 131 175.397 175.397 174.214 1.183 17811 2695 1 3 . 1 1 131 131 HIS CA C 131 60.148 60.148 55.755 4.393 17811 2696 1 3 . 1 1 131 131 HIS CB C 131 30.967 30.967 29.025 1.942 17811 2697 1 3 . 1 1 132 132 ARG N N 132 119.440 119.440 123.738 -4.298 17811 2698 1 3 . 1 1 132 132 ARG HA H 132 5.949 5.949 5.171 0.778 17811 2699 1 3 . 1 1 132 132 ARG C C 132 174.945 174.945 174.716 0.229 17811 2700 1 3 . 1 1 132 132 ARG CA C 132 55.558 55.558 54.478 1.080 17811 2701 1 3 . 1 1 132 132 ARG CB C 132 32.679 32.679 31.895 0.784 17811 2702 1 3 . 1 1 132 132 ARG H H 132 9.525 9.525 8.125 1.400 17811 2703 1 3 . 1 1 133 133 VAL N N 133 124.107 124.107 122.817 1.290 17811 2704 1 3 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.378 -0.271 17811 2705 1 3 . 1 1 133 133 VAL C C 133 172.805 172.805 175.587 -2.782 17811 2706 1 3 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.702 0.775 17811 2707 1 3 . 1 1 133 133 VAL CB C 133 32.405 32.405 33.150 -0.745 17811 2708 1 3 . 1 1 133 133 VAL H H 133 8.669 8.669 8.352 0.317 17811 2709 1 3 . 1 1 134 134 ARG N N 134 123.782 123.782 127.446 -3.664 17811 2710 1 3 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.577 -0.953 17811 2711 1 3 . 1 1 134 134 ARG C C 134 174.964 174.964 175.434 -0.470 17811 2712 1 3 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.907 -0.993 17811 2713 1 3 . 1 1 134 134 ARG CB C 134 32.063 32.063 29.731 2.332 17811 2714 1 3 . 1 1 134 134 ARG H H 134 8.822 8.822 9.144 -0.322 17811 2715 1 3 . 1 1 135 135 ILE N N 135 122.618 122.618 125.711 -3.093 17811 2716 1 3 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.296 0.004 17811 2717 1 3 . 1 1 135 135 ILE C C 135 175.809 175.809 175.785 0.024 17811 2718 1 3 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.831 -0.204 17811 2719 1 3 . 1 1 135 135 ILE CB C 135 38.433 38.433 39.070 -0.637 17811 2720 1 3 . 1 1 135 135 ILE H H 135 8.532 8.532 8.061 0.471 17811 2721 1 3 . 1 1 136 136 GLY N N 136 116.268 116.268 116.031 0.237 17811 2722 1 3 . 1 1 136 136 GLY C C 136 175.302 175.302 174.111 1.191 17811 2723 1 3 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.298 3.136 17811 2724 1 3 . 1 1 136 136 GLY H H 136 9.240 9.240 9.178 0.062 17811 2725 1 3 . 1 1 137 137 VAL N N 137 111.669 111.669 125.238 -13.569 17811 2726 1 3 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.119 1.076 17811 2727 1 3 . 1 1 137 137 VAL C C 137 176.691 176.691 175.547 1.144 17811 2728 1 3 . 1 1 137 137 VAL CA C 137 60.216 60.216 61.670 -1.454 17811 2729 1 3 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.415 1.429 17811 2730 1 3 . 1 1 137 137 VAL H H 137 8.370 8.370 8.287 0.083 17811 2731 1 3 . 1 1 138 138 GLY N N 138 111.577 111.577 108.990 2.587 17811 2732 1 3 . 1 1 138 138 GLY C C 138 169.895 169.895 172.602 -2.707 17811 2733 1 3 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.199 1.290 17811 2734 1 3 . 1 1 138 138 GLY H H 138 8.524 8.524 7.188 1.336 17811 2735 1 3 . 1 1 139 139 ARG N N 139 112.983 112.983 119.403 -6.420 17811 2736 1 3 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.781 -0.396 17811 2737 1 3 . 1 1 139 139 ARG C C 139 175.133 175.133 174.036 1.097 17811 2738 1 3 . 1 1 139 139 ARG CA C 139 53.161 53.161 52.828 0.333 17811 2739 1 3 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.800 -1.134 17811 2740 1 3 . 1 1 139 139 ARG H H 139 7.603 7.603 8.214 -0.611 17811 2741 1 3 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.549 0.084 17811 2742 1 3 . 1 1 141 141 PRO C C 141 176.503 176.503 177.066 -0.563 17811 2743 1 3 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.523 0.433 17811 2744 1 3 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.418 0.535 17811 2745 1 3 . 1 1 142 142 GLY N N 142 107.144 107.144 110.708 -3.564 17811 2746 1 3 . 1 1 142 142 GLY C C 142 175.076 175.076 174.454 0.622 17811 2747 1 3 . 1 1 142 142 GLY CA C 142 44.530 44.530 44.688 -0.158 17811 2748 1 3 . 1 1 142 142 GLY H H 142 8.228 8.228 7.921 0.307 17811 2749 1 3 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.314 -0.049 17811 2750 1 3 . 1 1 143 143 ARG C C 143 175.848 175.848 176.002 -0.154 17811 2751 1 3 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.146 -0.725 17811 2752 1 3 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.774 -1.656 17811 2753 1 3 . 1 1 144 144 LYS N N 144 121.850 121.850 120.619 1.231 17811 2754 1 3 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.036 0.023 17811 2755 1 3 . 1 1 144 144 LYS C C 144 175.152 175.152 175.900 -0.748 17811 2756 1 3 . 1 1 144 144 LYS CA C 144 56.312 56.312 55.185 1.127 17811 2757 1 3 . 1 1 144 144 LYS CB C 144 32.611 32.611 30.814 1.797 17811 2758 1 3 . 1 1 144 144 LYS H H 144 7.542 7.542 7.829 -0.287 17811 2759 1 3 . 1 1 145 145 ASP N N 145 126.413 126.413 124.200 2.213 17811 2760 1 3 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.681 0.022 17811 2761 1 3 . 1 1 145 145 ASP C C 145 176.208 176.208 176.392 -0.184 17811 2762 1 3 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.643 -0.304 17811 2763 1 3 . 1 1 145 145 ASP CB C 145 42.406 42.406 40.440 1.966 17811 2764 1 3 . 1 1 145 145 ASP H H 145 8.507 8.507 7.827 0.680 17811 2765 1 3 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.152 0.521 17811 2766 1 3 . 1 1 146 146 PRO C C 146 177.555 177.555 177.919 -0.364 17811 2767 1 3 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.700 -0.072 17811 2768 1 3 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.527 1.015 17811 2769 1 3 . 1 1 147 147 ALA N N 147 119.068 119.068 118.355 0.713 17811 2770 1 3 . 1 1 147 147 ALA HA H 147 3.996 3.996 3.999 -0.003 17811 2771 1 3 . 1 1 147 147 ALA C C 147 179.236 179.236 178.909 0.327 17811 2772 1 3 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.407 0.192 17811 2773 1 3 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.346 0.017 17811 2774 1 3 . 1 1 147 147 ALA H H 147 8.161 8.161 7.804 0.357 17811 2775 1 3 . 1 1 148 148 ALA N N 148 118.488 118.488 120.369 -1.881 17811 2776 1 3 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.135 0.032 17811 2777 1 3 . 1 1 148 148 ALA C C 148 180.397 180.397 179.255 1.142 17811 2778 1 3 . 1 1 148 148 ALA CA C 148 54.188 54.188 54.021 0.167 17811 2779 1 3 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.298 -0.524 17811 2780 1 3 . 1 1 148 148 ALA H H 148 7.210 7.210 7.768 -0.558 17811 2781 1 3 . 1 1 149 149 PHE N N 149 118.247 118.247 117.697 0.550 17811 2782 1 3 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.565 -0.427 17811 2783 1 3 . 1 1 149 149 PHE C C 149 178.080 178.080 178.134 -0.054 17811 2784 1 3 . 1 1 149 149 PHE CA C 149 60.353 60.353 57.856 2.497 17811 2785 1 3 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.078 1.753 17811 2786 1 3 . 1 1 149 149 PHE H H 149 8.099 8.099 7.696 0.403 17811 2787 1 3 . 1 1 150 150 VAL N N 150 107.786 107.786 121.332 -13.546 17811 2788 1 3 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.814 0.023 17811 2789 1 3 . 1 1 150 150 VAL C C 150 174.757 174.757 176.081 -1.324 17811 2790 1 3 . 1 1 150 150 VAL CA C 150 63.847 63.847 65.271 -1.424 17811 2791 1 3 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.708 -0.946 17811 2792 1 3 . 1 1 150 150 VAL H H 150 7.587 7.587 8.700 -1.113 17811 2793 1 3 . 1 1 151 151 LEU N N 151 118.783 118.783 115.098 3.685 17811 2794 1 3 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.432 0.043 17811 2795 1 3 . 1 1 151 151 LEU C C 151 174.926 174.926 176.124 -1.198 17811 2796 1 3 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.638 -1.929 17811 2797 1 3 . 1 1 151 151 LEU CB C 151 41.036 41.036 42.153 -1.117 17811 2798 1 3 . 1 1 151 151 LEU H H 151 6.914 6.914 7.767 -0.853 17811 2799 1 3 . 1 1 152 152 GLU N N 152 118.356 118.356 117.687 0.669 17811 2800 1 3 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.539 -0.214 17811 2801 1 3 . 1 1 152 152 GLU C C 152 175.752 175.752 174.592 1.160 17811 2802 1 3 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.316 -0.717 17811 2803 1 3 . 1 1 152 152 GLU CB C 152 31.995 31.995 30.482 1.513 17811 2804 1 3 . 1 1 152 152 GLU H H 152 6.823 6.823 7.722 -0.899 17811 2805 1 3 . 1 1 153 153 ASN N N 153 116.805 116.805 122.684 -5.879 17811 2806 1 3 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.896 -0.293 17811 2807 1 3 . 1 1 153 153 ASN C C 153 175.734 175.734 173.527 2.207 17811 2808 1 3 . 1 1 153 153 ASN CA C 153 52.750 52.750 53.012 -0.262 17811 2809 1 3 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.354 -1.510 17811 2810 1 3 . 1 1 153 153 ASN H H 153 8.064 8.064 8.521 -0.457 17811 2811 1 3 . 1 1 154 154 PHE N N 154 116.744 116.744 119.494 -2.750 17811 2812 1 3 . 1 1 154 154 PHE HA H 154 4.325 4.325 5.144 -0.819 17811 2813 1 3 . 1 1 154 154 PHE C C 154 177.142 177.142 173.438 3.704 17811 2814 1 3 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.415 3.733 17811 2815 1 3 . 1 1 154 154 PHE CB C 154 38.776 38.776 41.110 -2.334 17811 2816 1 3 . 1 1 154 154 PHE H H 154 7.410 7.410 8.282 -0.872 17811 2817 1 3 . 1 1 155 155 THR N N 155 113.714 113.714 118.322 -4.608 17811 2818 1 3 . 1 1 155 155 THR HA H 155 4.691 4.691 4.377 0.314 17811 2819 1 3 . 1 1 155 155 THR C C 155 174.870 174.870 173.994 0.876 17811 2820 1 3 . 1 1 155 155 THR CA C 155 61.648 61.648 61.220 0.428 17811 2821 1 3 . 1 1 155 155 THR CB C 155 70.697 70.697 71.859 -1.162 17811 2822 1 3 . 1 1 155 155 THR H H 155 9.356 9.356 9.187 0.169 17811 2823 1 3 . 1 1 156 156 ALA N N 156 122.937 122.937 127.469 -4.532 17811 2824 1 3 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.006 0.333 17811 2825 1 3 . 1 1 156 156 ALA C C 156 180.132 180.132 179.063 1.069 17811 2826 1 3 . 1 1 156 156 ALA CA C 156 56.106 56.106 55.181 0.925 17811 2827 1 3 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.663 -0.711 17811 2828 1 3 . 1 1 156 156 ALA H H 156 8.931 8.931 8.650 0.281 17811 2829 1 3 . 1 1 157 157 ALA N N 157 118.892 118.892 120.191 -1.299 17811 2830 1 3 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.027 0.140 17811 2831 1 3 . 1 1 157 157 ALA C C 157 181.009 181.009 179.645 1.364 17811 2832 1 3 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.632 0.036 17811 2833 1 3 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.111 0.389 17811 2834 1 3 . 1 1 157 157 ALA H H 157 8.248 8.248 8.184 0.064 17811 2835 1 3 . 1 1 158 158 GLU N N 158 118.304 118.304 117.764 0.540 17811 2836 1 3 . 1 1 158 158 GLU HA H 158 3.778 3.778 3.778 -0.000 17811 2837 1 3 . 1 1 158 158 GLU C C 158 179.920 179.920 178.603 1.317 17811 2838 1 3 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.321 -0.022 17811 2839 1 3 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.367 2.395 17811 2840 1 3 . 1 1 158 158 GLU H H 158 7.486 7.486 7.455 0.031 17811 2841 1 3 . 1 1 159 159 ARG N N 159 118.363 118.363 118.927 -0.564 17811 2842 1 3 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.057 -0.354 17811 2843 1 3 . 1 1 159 159 ARG C C 159 177.793 177.793 178.941 -1.148 17811 2844 1 3 . 1 1 159 159 ARG CA C 159 59.763 59.763 58.266 1.497 17811 2845 1 3 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.111 1.308 17811 2846 1 3 . 1 1 159 159 ARG H H 159 9.117 9.117 8.181 0.936 17811 2847 1 3 . 1 1 160 160 ALA N N 160 118.334 118.334 121.489 -3.155 17811 2848 1 3 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.184 -0.002 17811 2849 1 3 . 1 1 160 160 ALA C C 160 178.512 178.512 178.840 -0.328 17811 2850 1 3 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.931 -0.606 17811 2851 1 3 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.442 0.333 17811 2852 1 3 . 1 1 160 160 ALA H H 160 7.227 7.227 7.563 -0.336 17811 2853 1 3 . 1 1 161 161 GLU N N 161 114.910 114.910 116.250 -1.340 17811 2854 1 3 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.422 0.121 17811 2855 1 3 . 1 1 161 161 GLU C C 161 177.085 177.085 177.788 -0.703 17811 2856 1 3 . 1 1 161 161 GLU CA C 161 56.243 56.243 56.455 -0.212 17811 2857 1 3 . 1 1 161 161 GLU CB C 161 31.926 31.926 28.962 2.964 17811 2858 1 3 . 1 1 161 161 GLU H H 161 7.705 7.705 7.535 0.170 17811 2859 1 3 . 1 1 162 162 VAL N N 162 120.126 120.126 121.737 -1.611 17811 2860 1 3 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.870 0.283 17811 2861 1 3 . 1 1 162 162 VAL C C 162 173.208 173.208 175.775 -2.567 17811 2862 1 3 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.622 0.157 17811 2863 1 3 . 1 1 162 162 VAL CB C 162 30.214 30.214 28.732 1.482 17811 2864 1 3 . 1 1 162 162 VAL H H 162 7.509 7.509 7.329 0.180 17811 2865 1 3 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.313 -0.155 17811 2866 1 3 . 1 1 163 163 PRO C C 163 179.146 179.146 179.098 0.048 17811 2867 1 3 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.444 0.281 17811 2868 1 3 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.085 -0.323 17811 2869 1 3 . 1 1 164 164 THR N N 164 113.503 113.503 116.322 -2.819 17811 2870 1 3 . 1 1 164 164 THR HA H 164 4.295 4.295 4.043 0.252 17811 2871 1 3 . 1 1 164 164 THR C C 164 175.696 175.696 177.119 -1.423 17811 2872 1 3 . 1 1 164 164 THR CA C 164 66.244 66.244 67.165 -0.921 17811 2873 1 3 . 1 1 164 164 THR CB C 164 68.710 68.710 68.698 0.012 17811 2874 1 3 . 1 1 164 164 THR H H 164 7.260 7.260 7.645 -0.385 17811 2875 1 3 . 1 1 165 165 ILE N N 165 124.266 124.266 121.826 2.440 17811 2876 1 3 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.755 -0.030 17811 2877 1 3 . 1 1 165 165 ILE C C 165 177.949 177.949 177.811 0.138 17811 2878 1 3 . 1 1 165 165 ILE CA C 165 65.148 65.148 65.582 -0.433 17811 2879 1 3 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.675 0.758 17811 2880 1 3 . 1 1 165 165 ILE H H 165 7.781 7.781 8.368 -0.587 17811 2881 1 3 . 1 1 166 166 VAL N N 166 117.723 117.723 120.418 -2.695 17811 2882 1 3 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.525 -0.014 17811 2883 1 3 . 1 1 166 166 VAL C C 166 178.062 178.062 178.048 0.014 17811 2884 1 3 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.723 -0.931 17811 2885 1 3 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.258 0.120 17811 2886 1 3 . 1 1 166 166 VAL H H 166 8.605 8.605 7.940 0.665 17811 2887 1 3 . 1 1 167 167 GLU N N 167 119.572 119.572 119.114 0.458 17811 2888 1 3 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.927 -0.084 17811 2889 1 3 . 1 1 167 167 GLU C C 167 179.000 179.000 179.486 -0.486 17811 2890 1 3 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.690 0.115 17811 2891 1 3 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.393 -0.207 17811 2892 1 3 . 1 1 167 167 GLU H H 167 7.408 7.408 8.293 -0.885 17811 2893 1 3 . 1 1 168 168 GLN N N 168 118.334 118.334 117.899 0.435 17811 2894 1 3 . 1 1 168 168 GLN HA H 168 3.967 3.967 4.050 -0.083 17811 2895 1 3 . 1 1 168 168 GLN C C 168 179.038 179.038 178.551 0.487 17811 2896 1 3 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.215 1.248 17811 2897 1 3 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.252 0.660 17811 2898 1 3 . 1 1 168 168 GLN H H 168 8.298 8.298 7.798 0.500 17811 2899 1 3 . 1 1 169 169 ALA N N 169 123.008 123.008 122.481 0.527 17811 2900 1 3 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.101 -0.039 17811 2901 1 3 . 1 1 169 169 ALA C C 169 180.408 180.408 179.705 0.703 17811 2902 1 3 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.983 0.233 17811 2903 1 3 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.192 0.993 17811 2904 1 3 . 1 1 169 169 ALA H H 169 9.106 9.106 8.511 0.595 17811 2905 1 3 . 1 1 170 170 ALA N N 170 125.275 125.275 120.522 4.753 17811 2906 1 3 . 1 1 170 170 ALA HA H 170 3.930 3.930 4.178 -0.248 17811 2907 1 3 . 1 1 170 170 ALA C C 170 178.831 178.831 178.968 -0.137 17811 2908 1 3 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.254 1.715 17811 2909 1 3 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.720 -1.589 17811 2910 1 3 . 1 1 170 170 ALA H H 170 8.364 8.364 8.271 0.093 17811 2911 1 3 . 1 1 171 171 ASP N N 171 120.702 120.702 119.018 1.684 17811 2912 1 3 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.453 -0.200 17811 2913 1 3 . 1 1 171 171 ASP C C 171 179.507 179.507 177.968 1.539 17811 2914 1 3 . 1 1 171 171 ASP CA C 171 57.887 57.887 56.664 1.222 17811 2915 1 3 . 1 1 171 171 ASP CB C 171 39.735 39.735 41.149 -1.414 17811 2916 1 3 . 1 1 171 171 ASP H H 171 8.656 8.656 7.782 0.874 17811 2917 1 3 . 1 1 172 172 ALA N N 172 122.759 122.759 121.260 1.499 17811 2918 1 3 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.214 -0.274 17811 2919 1 3 . 1 1 172 172 ALA C C 172 178.137 178.137 179.648 -1.511 17811 2920 1 3 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.096 -0.086 17811 2921 1 3 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.553 1.317 17811 2922 1 3 . 1 1 172 172 ALA H H 172 9.380 9.380 8.276 1.104 17811 2923 1 3 . 1 1 173 173 THR N N 173 115.154 115.154 111.941 3.213 17811 2924 1 3 . 1 1 173 173 THR HA H 173 4.430 4.430 3.927 0.503 17811 2925 1 3 . 1 1 173 173 THR C C 173 175.940 175.940 176.393 -0.453 17811 2926 1 3 . 1 1 173 173 THR CA C 173 68.162 68.162 66.293 1.869 17811 2927 1 3 . 1 1 173 173 THR CB C 173 68.162 68.162 68.236 -0.074 17811 2928 1 3 . 1 1 173 173 THR H H 173 7.811 7.811 8.125 -0.314 17811 2929 1 3 . 1 1 174 174 GLU N N 174 118.915 118.915 122.279 -3.364 17811 2930 1 3 . 1 1 174 174 GLU HA H 174 3.644 3.644 3.996 -0.352 17811 2931 1 3 . 1 1 174 174 GLU C C 174 178.475 178.475 178.395 0.080 17811 2932 1 3 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.422 1.959 17811 2933 1 3 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.279 0.935 17811 2934 1 3 . 1 1 174 174 GLU H H 174 7.832 7.832 7.718 0.114 17811 2935 1 3 . 1 1 175 175 LEU N N 175 119.457 119.457 121.101 -1.644 17811 2936 1 3 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.163 -0.214 17811 2937 1 3 . 1 1 175 175 LEU C C 175 178.268 178.268 178.469 -0.201 17811 2938 1 3 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.240 0.990 17811 2939 1 3 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.731 0.744 17811 2940 1 3 . 1 1 175 175 LEU H H 175 8.144 8.144 7.478 0.666 17811 2941 1 3 . 1 1 176 176 LEU N N 176 120.413 120.413 121.255 -0.842 17811 2942 1 3 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.247 -0.656 17811 2943 1 3 . 1 1 176 176 LEU C C 176 177.799 177.799 178.918 -1.119 17811 2944 1 3 . 1 1 176 176 LEU CA C 176 58.093 58.093 57.938 0.155 17811 2945 1 3 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.452 0.269 17811 2946 1 3 . 1 1 176 176 LEU H H 176 7.970 7.970 8.008 -0.038 17811 2947 1 3 . 1 1 177 177 ILE N N 177 115.277 115.277 115.733 -0.456 17811 2948 1 3 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.647 0.280 17811 2949 1 3 . 1 1 177 177 ILE C C 177 177.123 177.123 177.866 -0.743 17811 2950 1 3 . 1 1 177 177 ILE CA C 177 65.148 65.148 64.128 1.020 17811 2951 1 3 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.423 1.010 17811 2952 1 3 . 1 1 177 177 ILE H H 177 7.576 7.576 7.878 -0.302 17811 2953 1 3 . 1 1 178 178 ALA N N 178 118.887 118.887 121.614 -2.727 17811 2954 1 3 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.075 0.946 17811 2955 1 3 . 1 1 178 178 ALA C C 178 179.901 179.901 178.221 1.680 17811 2956 1 3 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.748 -0.080 17811 2957 1 3 . 1 1 178 178 ALA CB C 178 20.624 20.624 18.888 1.736 17811 2958 1 3 . 1 1 178 178 ALA H H 178 8.237 8.237 7.650 0.587 17811 2959 1 3 . 1 1 179 179 GLN N N 179 112.225 112.225 116.366 -4.141 17811 2960 1 3 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.403 0.037 17811 2961 1 3 . 1 1 179 179 GLN C C 179 177.254 177.254 175.397 1.857 17811 2962 1 3 . 1 1 179 179 GLN CA C 179 55.627 55.627 56.157 -0.530 17811 2963 1 3 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.898 -2.136 17811 2964 1 3 . 1 1 179 179 GLN H H 179 8.646 8.646 7.971 0.675 17811 2965 1 3 . 1 1 180 180 GLY N N 180 109.528 109.528 106.830 2.698 17811 2966 1 3 . 1 1 180 180 GLY C C 180 173.095 173.095 173.518 -0.423 17811 2967 1 3 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.178 -1.333 17811 2968 1 3 . 1 1 180 180 GLY H H 180 7.811 7.811 7.585 0.226 17811 2969 1 3 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.374 -0.662 17811 2970 1 3 . 1 1 181 181 LEU C C 181 177.257 177.257 178.011 -0.754 17811 2971 1 3 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.666 2.797 17811 2972 1 3 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.165 0.447 17811 2973 1 3 . 1 1 182 182 GLU N N 182 116.836 116.836 120.544 -3.708 17811 2974 1 3 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.133 0.094 17811 2975 1 3 . 1 1 182 182 GLU C C 182 176.406 176.406 176.239 0.167 17811 2976 1 3 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.624 1.099 17811 2977 1 3 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.385 -0.665 17811 2978 1 3 . 1 1 182 182 GLU H H 182 8.909 8.909 8.691 0.218 17811 2979 1 3 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.226 0.011 17811 2980 1 3 . 1 1 183 183 PRO C C 183 179.992 179.992 177.490 2.502 17811 2981 1 3 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.800 -0.583 17811 2982 1 3 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.014 0.159 17811 2983 1 3 . 1 1 184 184 ALA N N 184 118.151 118.151 119.801 -1.650 17811 2984 1 3 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.089 -0.254 17811 2985 1 3 . 1 1 184 184 ALA C C 184 179.526 179.526 179.460 0.066 17811 2986 1 3 . 1 1 184 184 ALA CA C 184 55.490 55.490 54.755 0.735 17811 2987 1 3 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.485 -0.327 17811 2988 1 3 . 1 1 184 184 ALA H H 184 7.350 7.350 7.661 -0.311 17811 2989 1 3 . 1 1 185 185 GLN N N 185 118.148 118.148 118.548 -0.400 17811 2990 1 3 . 1 1 185 185 GLN HA H 185 3.006 3.006 4.006 -1.000 17811 2991 1 3 . 1 1 185 185 GLN C C 185 177.555 177.555 178.261 -0.706 17811 2992 1 3 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.604 0.379 17811 2993 1 3 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.221 0.554 17811 2994 1 3 . 1 1 185 185 GLN H H 185 8.848 8.848 8.189 0.659 17811 2995 1 3 . 1 1 186 186 ASN N N 186 115.032 115.032 117.503 -2.471 17811 2996 1 3 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.596 -0.435 17811 2997 1 3 . 1 1 186 186 ASN C C 186 177.160 177.160 176.721 0.439 17811 2998 1 3 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.771 0.267 17811 2999 1 3 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.470 -0.242 17811 3000 1 3 . 1 1 186 186 ASN H H 186 7.537 7.537 8.414 -0.877 17811 3001 1 3 . 1 1 187 187 THR N N 187 114.421 114.421 115.335 -0.914 17811 3002 1 3 . 1 1 187 187 THR HA H 187 3.864 3.864 4.221 -0.357 17811 3003 1 3 . 1 1 187 187 THR C C 187 174.739 174.739 175.765 -1.026 17811 3004 1 3 . 1 1 187 187 THR CA C 187 65.422 65.422 65.998 -0.576 17811 3005 1 3 . 1 1 187 187 THR CB C 187 69.532 69.532 69.595 -0.063 17811 3006 1 3 . 1 1 187 187 THR H H 187 7.120 7.120 7.677 -0.557 17811 3007 1 3 . 1 1 188 188 VAL N N 188 119.580 119.580 117.278 2.302 17811 3008 1 3 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.149 0.236 17811 3009 1 3 . 1 1 188 188 VAL C C 188 178.043 178.043 177.206 0.837 17811 3010 1 3 . 1 1 188 188 VAL CA C 188 64.326 64.326 63.762 0.564 17811 3011 1 3 . 1 1 188 188 VAL CB C 188 31.858 31.858 32.169 -0.311 17811 3012 1 3 . 1 1 188 188 VAL H H 188 8.333 8.333 7.317 1.016 17811 3013 1 3 . 1 1 189 189 HIS N N 189 115.949 115.949 117.162 -1.213 17811 3014 1 3 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.498 0.172 17811 3015 1 3 . 1 1 189 189 HIS C C 189 175.114 175.114 175.098 0.016 17811 3016 1 3 . 1 1 189 189 HIS CA C 189 56.312 56.312 58.259 -1.947 17811 3017 1 3 . 1 1 189 189 HIS CB C 189 27.474 27.474 29.890 -2.416 17811 3018 1 3 . 1 1 189 189 HIS H H 189 8.674 8.674 8.302 0.372 17811 3019 1 3 . 1 1 190 190 ALA N N 190 120.346 120.346 118.916 1.430 17811 3020 1 3 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.270 0.314 17811 3021 1 3 . 1 1 190 190 ALA C C 190 177.906 177.906 176.461 1.445 17811 3022 1 3 . 1 1 190 190 ALA CA C 190 51.791 51.791 51.640 0.151 17811 3023 1 3 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.722 -0.057 17811 3024 1 3 . 1 1 190 190 ALA H H 190 6.983 6.983 7.555 -0.572 17811 3025 1 4 . 1 1 2 2 ALA N N 2 125.183 125.183 125.228 -0.045 17811 3026 1 4 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.662 -0.485 17811 3027 1 4 . 1 1 2 2 ALA C C 2 174.029 174.029 177.052 -3.023 17811 3028 1 4 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.513 0.346 17811 3029 1 4 . 1 1 2 2 ALA CB C 2 19.596 19.596 19.478 0.118 17811 3030 1 4 . 1 1 2 2 ALA H H 2 8.096 8.096 8.215 -0.119 17811 3031 1 4 . 1 1 3 3 GLU N N 3 113.075 113.075 123.486 -10.411 17811 3032 1 4 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.703 -0.504 17811 3033 1 4 . 1 1 3 3 GLU C C 3 175.812 175.812 173.874 1.938 17811 3034 1 4 . 1 1 3 3 GLU CA C 3 53.503 53.503 52.650 0.853 17811 3035 1 4 . 1 1 3 3 GLU CB C 3 31.584 31.584 29.826 1.758 17811 3036 1 4 . 1 1 3 3 GLU H H 3 7.483 7.483 8.444 -0.961 17811 3037 1 4 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.623 0.152 17811 3038 1 4 . 1 1 4 4 PRO C C 4 174.213 174.213 176.114 -1.901 17811 3039 1 4 . 1 1 4 4 PRO CA C 4 62.271 62.271 61.919 0.352 17811 3040 1 4 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.866 2.663 17811 3041 1 4 . 1 1 5 5 LEU N N 5 120.181 120.181 126.106 -5.925 17811 3042 1 4 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.264 0.036 17811 3043 1 4 . 1 1 5 5 LEU C C 5 174.926 174.926 176.272 -1.346 17811 3044 1 4 . 1 1 5 5 LEU CA C 5 54.188 54.188 54.361 -0.173 17811 3045 1 4 . 1 1 5 5 LEU CB C 5 45.694 45.694 42.864 2.830 17811 3046 1 4 . 1 1 5 5 LEU H H 5 7.953 7.953 8.646 -0.693 17811 3047 1 4 . 1 1 6 6 LEU N N 6 124.663 124.663 127.662 -2.999 17811 3048 1 4 . 1 1 6 6 LEU HA H 6 5.287 5.287 5.035 0.253 17811 3049 1 4 . 1 1 6 6 LEU C C 6 173.293 173.293 174.905 -1.612 17811 3050 1 4 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.218 -0.331 17811 3051 1 4 . 1 1 6 6 LEU CB C 6 45.694 45.694 43.420 2.274 17811 3052 1 4 . 1 1 6 6 LEU H H 6 8.456 8.456 8.788 -0.332 17811 3053 1 4 . 1 1 7 7 VAL N N 7 128.364 128.364 128.731 -0.367 17811 3054 1 4 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.892 0.107 17811 3055 1 4 . 1 1 7 7 VAL C C 7 174.006 174.006 174.694 -0.688 17811 3056 1 4 . 1 1 7 7 VAL CA C 7 60.353 60.353 60.926 -0.573 17811 3057 1 4 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.597 0.101 17811 3058 1 4 . 1 1 7 7 VAL H H 7 9.456 9.456 8.785 0.671 17811 3059 1 4 . 1 1 8 8 VAL N N 8 126.000 126.000 127.688 -1.688 17811 3060 1 4 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.313 0.741 17811 3061 1 4 . 1 1 8 8 VAL C C 8 175.433 175.433 175.647 -0.214 17811 3062 1 4 . 1 1 8 8 VAL CA C 8 59.737 59.737 60.764 -1.027 17811 3063 1 4 . 1 1 8 8 VAL CB C 8 35.556 35.556 31.584 3.972 17811 3064 1 4 . 1 1 8 8 VAL H H 8 9.571 9.571 8.422 1.149 17811 3065 1 4 . 1 1 9 9 GLY N N 9 112.757 112.757 115.610 -2.853 17811 3066 1 4 . 1 1 9 9 GLY C C 9 171.378 171.378 172.131 -0.753 17811 3067 1 4 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.397 1.407 17811 3068 1 4 . 1 1 9 9 GLY H H 9 8.692 8.692 8.094 0.598 17811 3069 1 4 . 1 1 10 10 LEU N N 10 119.466 119.466 120.765 -1.299 17811 3070 1 4 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.794 -0.061 17811 3071 1 4 . 1 1 10 10 LEU C C 10 175.715 175.715 176.032 -0.317 17811 3072 1 4 . 1 1 10 10 LEU CA C 10 54.188 54.188 53.587 0.601 17811 3073 1 4 . 1 1 10 10 LEU CB C 10 42.543 42.543 44.570 -2.027 17811 3074 1 4 . 1 1 10 10 LEU H H 10 7.147 7.147 8.146 -0.999 17811 3075 1 4 . 1 1 11 11 GLY N N 11 109.192 109.192 110.328 -1.136 17811 3076 1 4 . 1 1 11 11 GLY C C 11 170.233 170.233 173.084 -2.851 17811 3077 1 4 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.327 0.066 17811 3078 1 4 . 1 1 11 11 GLY H H 11 7.281 7.281 8.550 -1.269 17811 3079 1 4 . 1 1 12 12 ASN N N 12 115.701 115.701 117.565 -1.864 17811 3080 1 4 . 1 1 12 12 ASN HA H 12 4.762 4.762 5.017 -0.255 17811 3081 1 4 . 1 1 12 12 ASN C C 12 173.746 173.746 174.357 -0.611 17811 3082 1 4 . 1 1 12 12 ASN CA C 12 49.941 49.941 49.561 0.380 17811 3083 1 4 . 1 1 12 12 ASN CB C 12 41.516 41.516 39.187 2.329 17811 3084 1 4 . 1 1 12 12 ASN H H 12 8.946 8.946 7.827 1.119 17811 3085 1 4 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.614 -0.199 17811 3086 1 4 . 1 1 13 13 PRO C C 13 177.498 177.498 176.919 0.579 17811 3087 1 4 . 1 1 13 13 PRO CA C 13 62.254 62.254 63.231 -0.977 17811 3088 1 4 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.041 -0.115 17811 3089 1 4 . 1 1 14 14 GLY N N 14 108.978 108.978 103.714 5.264 17811 3090 1 4 . 1 1 14 14 GLY C C 14 174.878 174.878 172.366 2.512 17811 3091 1 4 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.001 3.132 17811 3092 1 4 . 1 1 14 14 GLY H H 14 8.464 8.464 7.677 0.787 17811 3093 1 4 . 1 1 16 16 THR HA H 16 4.265 4.265 4.026 0.239 17811 3094 1 4 . 1 1 16 16 THR C C 16 175.848 175.848 176.429 -0.581 17811 3095 1 4 . 1 1 16 16 THR CA C 16 65.148 65.148 65.327 -0.179 17811 3096 1 4 . 1 1 16 16 THR CB C 16 68.505 68.505 68.061 0.444 17811 3097 1 4 . 1 1 17 17 TYR N N 17 117.133 117.133 119.711 -2.578 17811 3098 1 4 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.735 -0.079 17811 3099 1 4 . 1 1 17 17 TYR C C 17 177.649 177.649 177.277 0.372 17811 3100 1 4 . 1 1 17 17 TYR CA C 17 58.367 58.367 58.392 -0.024 17811 3101 1 4 . 1 1 17 17 TYR CB C 17 39.324 39.324 36.926 2.398 17811 3102 1 4 . 1 1 17 17 TYR H H 17 7.025 7.025 8.007 -0.982 17811 3103 1 4 . 1 1 18 18 ALA N N 18 122.126 122.126 121.064 1.062 17811 3104 1 4 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.238 0.116 17811 3105 1 4 . 1 1 18 18 ALA C C 18 178.212 178.212 177.807 0.405 17811 3106 1 4 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.662 1.965 17811 3107 1 4 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.677 1.262 17811 3108 1 4 . 1 1 18 18 ALA H H 18 7.100 7.100 7.373 -0.273 17811 3109 1 4 . 1 1 19 19 LYS N N 19 115.311 115.311 116.371 -1.060 17811 3110 1 4 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.562 0.121 17811 3111 1 4 . 1 1 19 19 LYS C C 19 175.640 175.640 175.875 -0.235 17811 3112 1 4 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.197 -0.255 17811 3113 1 4 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.623 -0.560 17811 3114 1 4 . 1 1 19 19 LYS H H 19 8.648 8.648 7.730 0.918 17811 3115 1 4 . 1 1 20 20 THR N N 20 108.478 108.478 109.954 -1.476 17811 3116 1 4 . 1 1 20 20 THR HA H 20 4.392 4.392 4.730 -0.338 17811 3117 1 4 . 1 1 20 20 THR C C 20 175.752 175.752 175.803 -0.051 17811 3118 1 4 . 1 1 20 20 THR CA C 20 60.970 60.970 59.569 1.401 17811 3119 1 4 . 1 1 20 20 THR CB C 20 72.932 72.932 71.717 1.215 17811 3120 1 4 . 1 1 20 20 THR H H 20 7.349 7.349 7.303 0.046 17811 3121 1 4 . 1 1 21 21 ARG N N 21 117.638 117.638 122.196 -4.558 17811 3122 1 4 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.126 -0.420 17811 3123 1 4 . 1 1 21 21 ARG C C 21 177.480 177.480 177.799 -0.319 17811 3124 1 4 . 1 1 21 21 ARG CA C 21 60.083 60.083 59.000 1.083 17811 3125 1 4 . 1 1 21 21 ARG CB C 21 29.957 29.957 30.209 -0.252 17811 3126 1 4 . 1 1 21 21 ARG H H 21 7.011 7.011 9.130 -2.119 17811 3127 1 4 . 1 1 22 22 HIS N N 22 115.074 115.074 113.702 1.372 17811 3128 1 4 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.689 -0.828 17811 3129 1 4 . 1 1 22 22 HIS C C 22 173.274 173.274 175.272 -1.998 17811 3130 1 4 . 1 1 22 22 HIS CA C 22 53.434 53.434 56.658 -3.224 17811 3131 1 4 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.529 -0.069 17811 3132 1 4 . 1 1 22 22 HIS H H 22 8.162 8.162 8.741 -0.579 17811 3133 1 4 . 1 1 23 23 ASN N N 23 116.439 116.439 117.003 -0.564 17811 3134 1 4 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.849 -0.064 17811 3135 1 4 . 1 1 23 23 ASN C C 23 177.104 177.104 176.271 0.833 17811 3136 1 4 . 1 1 23 23 ASN CA C 23 53.024 53.024 52.338 0.686 17811 3137 1 4 . 1 1 23 23 ASN CB C 23 38.776 38.776 39.251 -0.475 17811 3138 1 4 . 1 1 23 23 ASN H H 23 7.730 7.730 7.669 0.061 17811 3139 1 4 . 1 1 24 24 LEU N N 24 123.226 123.226 119.273 3.953 17811 3140 1 4 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.109 0.237 17811 3141 1 4 . 1 1 24 24 LEU C C 24 178.681 178.681 178.088 0.593 17811 3142 1 4 . 1 1 24 24 LEU CA C 24 59.531 59.531 58.189 1.342 17811 3143 1 4 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.009 3.973 17811 3144 1 4 . 1 1 24 24 LEU H H 24 7.939 7.939 7.330 0.609 17811 3145 1 4 . 1 1 25 25 GLY N N 25 104.146 104.146 107.548 -3.402 17811 3146 1 4 . 1 1 25 25 GLY C C 25 176.635 176.635 175.654 0.981 17811 3147 1 4 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.085 1.555 17811 3148 1 4 . 1 1 25 25 GLY H H 25 9.209 9.209 8.070 1.139 17811 3149 1 4 . 1 1 26 26 PHE N N 26 123.654 123.654 122.961 0.693 17811 3150 1 4 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.290 -0.170 17811 3151 1 4 . 1 1 26 26 PHE C C 26 177.498 177.498 176.875 0.623 17811 3152 1 4 . 1 1 26 26 PHE CA C 26 58.778 58.778 61.328 -2.550 17811 3153 1 4 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.536 -2.267 17811 3154 1 4 . 1 1 26 26 PHE H H 26 7.089 7.089 7.863 -0.774 17811 3155 1 4 . 1 1 27 27 MET N N 27 117.508 117.508 117.749 -0.241 17811 3156 1 4 . 1 1 27 27 MET HA H 27 4.257 4.257 4.173 0.084 17811 3157 1 4 . 1 1 27 27 MET C C 27 179.977 179.977 178.582 1.395 17811 3158 1 4 . 1 1 27 27 MET CA C 27 59.839 59.839 58.071 1.768 17811 3159 1 4 . 1 1 27 27 MET CB C 27 33.377 33.377 32.053 1.325 17811 3160 1 4 . 1 1 27 27 MET H H 27 8.061 8.061 7.613 0.448 17811 3161 1 4 . 1 1 28 28 VAL N N 28 119.068 119.068 118.750 0.318 17811 3162 1 4 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.628 -0.006 17811 3163 1 4 . 1 1 28 28 VAL C C 28 177.818 177.818 177.903 -0.085 17811 3164 1 4 . 1 1 28 28 VAL CA C 28 65.970 65.970 65.371 0.599 17811 3165 1 4 . 1 1 28 28 VAL CB C 28 32.063 32.063 30.318 1.745 17811 3166 1 4 . 1 1 28 28 VAL H H 28 8.325 8.325 8.264 0.061 17811 3167 1 4 . 1 1 29 29 ALA N N 29 123.327 123.327 122.940 0.387 17811 3168 1 4 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.818 0.210 17811 3169 1 4 . 1 1 29 29 ALA C C 29 178.831 178.831 179.596 -0.765 17811 3170 1 4 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.542 0.496 17811 3171 1 4 . 1 1 29 29 ALA CB C 29 17.473 17.473 17.943 -0.470 17811 3172 1 4 . 1 1 29 29 ALA H H 29 8.647 8.647 7.693 0.954 17811 3173 1 4 . 1 1 30 30 ASP N N 30 118.148 118.148 117.529 0.619 17811 3174 1 4 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.372 0.307 17811 3175 1 4 . 1 1 30 30 ASP C C 30 180.089 180.089 178.479 1.610 17811 3176 1 4 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.757 0.404 17811 3177 1 4 . 1 1 30 30 ASP CB C 30 39.666 39.666 41.125 -1.459 17811 3178 1 4 . 1 1 30 30 ASP H H 30 8.574 8.574 7.479 1.095 17811 3179 1 4 . 1 1 31 31 VAL N N 31 123.410 123.410 117.742 5.668 17811 3180 1 4 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.896 -0.101 17811 3181 1 4 . 1 1 31 31 VAL C C 31 180.070 180.070 177.977 2.093 17811 3182 1 4 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.652 1.072 17811 3183 1 4 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.369 0.215 17811 3184 1 4 . 1 1 31 31 VAL H H 31 7.482 7.482 7.319 0.163 17811 3185 1 4 . 1 1 32 32 LEU N N 32 121.772 121.772 117.565 4.207 17811 3186 1 4 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.154 -0.288 17811 3187 1 4 . 1 1 32 32 LEU C C 32 178.249 178.249 178.519 -0.270 17811 3188 1 4 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.658 0.709 17811 3189 1 4 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.551 1.718 17811 3190 1 4 . 1 1 32 32 LEU H H 32 8.785 8.785 8.158 0.627 17811 3191 1 4 . 1 1 33 33 ALA N N 33 122.901 122.901 120.947 1.954 17811 3192 1 4 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.085 -0.475 17811 3193 1 4 . 1 1 33 33 ALA C C 33 179.808 179.808 179.660 0.148 17811 3194 1 4 . 1 1 33 33 ALA CA C 33 55.832 55.832 54.302 1.530 17811 3195 1 4 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.547 0.022 17811 3196 1 4 . 1 1 33 33 ALA H H 33 8.711 8.711 7.407 1.304 17811 3197 1 4 . 1 1 34 34 GLY N N 34 105.309 105.309 105.743 -0.434 17811 3198 1 4 . 1 1 34 34 GLY C C 34 176.184 176.184 175.974 0.210 17811 3199 1 4 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.532 0.258 17811 3200 1 4 . 1 1 34 34 GLY H H 34 7.665 7.665 8.295 -0.630 17811 3201 1 4 . 1 1 35 35 ARG N N 35 121.117 121.117 119.521 1.596 17811 3202 1 4 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.154 -0.039 17811 3203 1 4 . 1 1 35 35 ARG C C 35 178.812 178.812 177.525 1.287 17811 3204 1 4 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.482 1.912 17811 3205 1 4 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.504 0.162 17811 3206 1 4 . 1 1 35 35 ARG H H 35 7.623 7.623 7.365 0.258 17811 3207 1 4 . 1 1 36 36 ILE N N 36 120.413 120.413 116.169 4.244 17811 3208 1 4 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.120 -0.398 17811 3209 1 4 . 1 1 36 36 ILE C C 36 177.142 177.142 176.949 0.193 17811 3210 1 4 . 1 1 36 36 ILE CA C 36 64.600 64.600 60.965 3.635 17811 3211 1 4 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.469 0.307 17811 3212 1 4 . 1 1 36 36 ILE H H 36 7.950 7.950 7.671 0.279 17811 3213 1 4 . 1 1 37 37 GLY N N 37 107.419 107.419 108.287 -0.868 17811 3214 1 4 . 1 1 37 37 GLY C C 37 174.307 174.307 174.438 -0.131 17811 3215 1 4 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.854 0.566 17811 3216 1 4 . 1 1 37 37 GLY H H 37 8.305 8.305 7.592 0.713 17811 3217 1 4 . 1 1 38 38 SER N N 38 113.320 113.320 118.482 -5.162 17811 3218 1 4 . 1 1 38 38 SER HA H 38 4.683 4.683 4.667 0.016 17811 3219 1 4 . 1 1 38 38 SER C C 38 171.472 171.472 172.908 -1.436 17811 3220 1 4 . 1 1 38 38 SER CA C 38 56.654 56.654 58.169 -1.516 17811 3221 1 4 . 1 1 38 38 SER CB C 38 66.244 66.244 63.664 2.580 17811 3222 1 4 . 1 1 38 38 SER H H 38 7.101 7.101 8.128 -1.027 17811 3223 1 4 . 1 1 39 39 ALA N N 39 123.838 123.838 126.851 -3.013 17811 3224 1 4 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.574 -0.172 17811 3225 1 4 . 1 1 39 39 ALA C C 39 177.708 177.708 175.278 2.430 17811 3226 1 4 . 1 1 39 39 ALA CA C 39 50.695 50.695 52.387 -1.692 17811 3227 1 4 . 1 1 39 39 ALA CB C 39 20.624 20.624 21.249 -0.625 17811 3228 1 4 . 1 1 39 39 ALA H H 39 8.032 8.032 8.428 -0.396 17811 3229 1 4 . 1 1 40 40 PHE N N 40 118.117 118.117 122.598 -4.481 17811 3230 1 4 . 1 1 40 40 PHE HA H 40 4.039 4.039 4.976 -0.937 17811 3231 1 4 . 1 1 40 40 PHE C C 40 176.672 176.672 174.123 2.549 17811 3232 1 4 . 1 1 40 40 PHE CA C 40 59.942 59.942 56.803 3.139 17811 3233 1 4 . 1 1 40 40 PHE CB C 40 40.694 40.694 43.374 -2.680 17811 3234 1 4 . 1 1 40 40 PHE H H 40 8.066 8.066 8.572 -0.506 17811 3235 1 4 . 1 1 41 41 LYS N N 41 120.915 120.915 119.715 1.200 17811 3236 1 4 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.472 0.290 17811 3237 1 4 . 1 1 41 41 LYS C C 41 176.034 176.034 175.435 0.599 17811 3238 1 4 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.389 0.347 17811 3239 1 4 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.492 1.817 17811 3240 1 4 . 1 1 41 41 LYS H H 41 8.593 8.593 7.124 1.469 17811 3241 1 4 . 1 1 42 42 VAL N N 42 123.504 123.504 121.625 1.879 17811 3242 1 4 . 1 1 42 42 VAL HA H 42 3.832 3.832 3.907 -0.075 17811 3243 1 4 . 1 1 42 42 VAL C C 42 175.377 175.377 175.343 0.034 17811 3244 1 4 . 1 1 42 42 VAL CA C 42 64.874 64.874 63.188 1.686 17811 3245 1 4 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.576 0.350 17811 3246 1 4 . 1 1 42 42 VAL H H 42 8.707 8.707 8.680 0.027 17811 3247 1 4 . 1 1 43 43 HIS N N 43 132.195 132.195 129.598 2.597 17811 3248 1 4 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.755 -0.230 17811 3249 1 4 . 1 1 43 43 HIS C C 43 175.104 175.104 174.132 0.972 17811 3250 1 4 . 1 1 43 43 HIS CA C 43 56.106 56.106 54.657 1.449 17811 3251 1 4 . 1 1 43 43 HIS CB C 43 31.721 31.721 31.454 0.267 17811 3252 1 4 . 1 1 43 43 HIS H H 43 9.354 9.354 8.507 0.847 17811 3253 1 4 . 1 1 45 45 LYS HA H 45 3.940 3.940 3.993 -0.053 17811 3254 1 4 . 1 1 45 45 LYS C C 45 177.001 177.001 175.654 1.347 17811 3255 1 4 . 1 1 45 45 LYS CA C 45 58.367 58.367 58.508 -0.141 17811 3256 1 4 . 1 1 45 45 LYS CB C 45 32.200 32.200 31.391 0.809 17811 3257 1 4 . 1 1 46 46 SER N N 46 111.577 111.577 114.322 -2.745 17811 3258 1 4 . 1 1 46 46 SER HA H 46 4.414 4.414 4.296 0.118 17811 3259 1 4 . 1 1 46 46 SER C C 46 174.926 174.926 175.609 -0.683 17811 3260 1 4 . 1 1 46 46 SER CA C 46 60.011 60.011 57.541 2.470 17811 3261 1 4 . 1 1 46 46 SER CB C 46 65.354 65.354 64.083 1.271 17811 3262 1 4 . 1 1 46 46 SER H H 46 7.746 7.746 7.894 -0.148 17811 3263 1 4 . 1 1 47 47 GLY N N 47 112.402 112.402 110.049 2.353 17811 3264 1 4 . 1 1 47 47 GLY C C 47 173.180 173.180 173.791 -0.611 17811 3265 1 4 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.929 0.286 17811 3266 1 4 . 1 1 47 47 GLY H H 47 8.692 8.692 8.454 0.238 17811 3267 1 4 . 1 1 48 48 ALA N N 48 120.322 120.322 123.214 -2.892 17811 3268 1 4 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.756 -0.340 17811 3269 1 4 . 1 1 48 48 ALA C C 48 175.621 175.621 176.325 -0.704 17811 3270 1 4 . 1 1 48 48 ALA CA C 48 51.585 51.585 50.540 1.045 17811 3271 1 4 . 1 1 48 48 ALA CB C 48 19.802 19.802 21.541 -1.739 17811 3272 1 4 . 1 1 48 48 ALA H H 48 7.740 7.740 8.412 -0.672 17811 3273 1 4 . 1 1 49 49 GLU N N 49 116.907 116.907 119.331 -2.424 17811 3274 1 4 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.563 0.363 17811 3275 1 4 . 1 1 49 49 GLU C C 49 176.184 176.184 175.189 0.995 17811 3276 1 4 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.567 -1.009 17811 3277 1 4 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.173 1.685 17811 3278 1 4 . 1 1 49 49 GLU H H 49 8.262 8.262 8.454 -0.192 17811 3279 1 4 . 1 1 50 50 VAL N N 50 117.403 117.403 124.091 -6.688 17811 3280 1 4 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.020 0.820 17811 3281 1 4 . 1 1 50 50 VAL C C 50 176.053 176.053 174.957 1.096 17811 3282 1 4 . 1 1 50 50 VAL CA C 50 60.011 60.011 60.386 -0.375 17811 3283 1 4 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.173 2.918 17811 3284 1 4 . 1 1 50 50 VAL H H 50 9.223 9.223 7.913 1.310 17811 3285 1 4 . 1 1 51 51 VAL N N 51 125.278 125.278 126.524 -1.246 17811 3286 1 4 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.654 -0.503 17811 3287 1 4 . 1 1 51 51 VAL C C 51 173.706 173.706 174.187 -0.481 17811 3288 1 4 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.160 1.289 17811 3289 1 4 . 1 1 51 51 VAL CB C 51 35.899 35.899 35.142 0.757 17811 3290 1 4 . 1 1 51 51 VAL H H 51 9.266 9.266 8.778 0.488 17811 3291 1 4 . 1 1 52 52 THR N N 52 115.674 115.674 125.548 -9.874 17811 3292 1 4 . 1 1 52 52 THR HA H 52 5.168 5.168 4.958 0.210 17811 3293 1 4 . 1 1 52 52 THR C C 52 173.669 173.669 173.951 -0.282 17811 3294 1 4 . 1 1 52 52 THR CA C 52 58.709 58.709 61.812 -3.103 17811 3295 1 4 . 1 1 52 52 THR CB C 52 70.628 70.628 69.990 0.638 17811 3296 1 4 . 1 1 52 52 THR H H 52 8.243 8.243 8.333 -0.090 17811 3297 1 4 . 1 1 53 53 GLY N N 53 108.122 108.122 111.646 -3.524 17811 3298 1 4 . 1 1 53 53 GLY C C 53 170.721 170.721 171.663 -0.942 17811 3299 1 4 . 1 1 53 53 GLY CA C 53 45.489 45.489 45.507 -0.018 17811 3300 1 4 . 1 1 53 53 GLY H H 53 7.908 7.908 8.808 -0.900 17811 3301 1 4 . 1 1 54 54 ARG N N 54 120.750 120.750 120.221 0.529 17811 3302 1 4 . 1 1 54 54 ARG HA H 54 5.105 5.105 5.139 -0.034 17811 3303 1 4 . 1 1 54 54 ARG C C 54 175.095 175.095 174.849 0.246 17811 3304 1 4 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.083 -0.073 17811 3305 1 4 . 1 1 54 54 ARG CB C 54 32.474 32.474 33.395 -0.921 17811 3306 1 4 . 1 1 54 54 ARG H H 54 8.379 8.379 8.432 -0.053 17811 3307 1 4 . 1 1 55 55 LEU N N 55 123.787 123.787 123.384 0.403 17811 3308 1 4 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.661 -0.234 17811 3309 1 4 . 1 1 55 55 LEU C C 55 175.058 175.058 176.934 -1.876 17811 3310 1 4 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.940 -0.368 17811 3311 1 4 . 1 1 55 55 LEU CB C 55 45.968 45.968 43.669 2.299 17811 3312 1 4 . 1 1 55 55 LEU H H 55 8.777 8.777 8.374 0.403 17811 3313 1 4 . 1 1 56 56 ALA N N 56 127.548 127.548 127.934 -0.386 17811 3314 1 4 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.919 0.011 17811 3315 1 4 . 1 1 56 56 ALA C C 56 177.855 177.855 177.455 0.400 17811 3316 1 4 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.843 -0.751 17811 3317 1 4 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.846 -0.236 17811 3318 1 4 . 1 1 56 56 ALA H H 56 9.275 9.275 8.972 0.303 17811 3319 1 4 . 1 1 57 57 GLY N N 57 103.215 103.215 104.867 -1.652 17811 3320 1 4 . 1 1 57 57 GLY C C 57 174.157 174.157 174.430 -0.273 17811 3321 1 4 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.442 0.252 17811 3322 1 4 . 1 1 57 57 GLY H H 57 8.507 8.507 8.496 0.011 17811 3323 1 4 . 1 1 58 58 THR N N 58 119.802 119.802 120.051 -0.249 17811 3324 1 4 . 1 1 58 58 THR HA H 58 4.411 4.411 4.166 0.245 17811 3325 1 4 . 1 1 58 58 THR C C 58 172.711 172.711 174.184 -1.473 17811 3326 1 4 . 1 1 58 58 THR CA C 58 62.134 62.134 63.715 -1.581 17811 3327 1 4 . 1 1 58 58 THR CB C 58 71.313 71.313 69.411 1.902 17811 3328 1 4 . 1 1 58 58 THR H H 58 8.017 8.017 7.781 0.236 17811 3329 1 4 . 1 1 59 59 SER N N 59 122.901 122.901 120.346 2.555 17811 3330 1 4 . 1 1 59 59 SER HA H 59 4.492 4.492 4.760 -0.268 17811 3331 1 4 . 1 1 59 59 SER C C 59 173.537 173.537 173.949 -0.412 17811 3332 1 4 . 1 1 59 59 SER CA C 59 59.600 59.600 59.953 -0.353 17811 3333 1 4 . 1 1 59 59 SER CB C 59 63.367 63.367 63.638 -0.271 17811 3334 1 4 . 1 1 59 59 SER H H 59 9.013 9.013 8.515 0.498 17811 3335 1 4 . 1 1 60 60 VAL N N 60 119.354 119.354 117.837 1.517 17811 3336 1 4 . 1 1 60 60 VAL HA H 60 5.060 5.060 5.007 0.053 17811 3337 1 4 . 1 1 60 60 VAL C C 60 174.926 174.926 173.876 1.050 17811 3338 1 4 . 1 1 60 60 VAL CA C 60 59.326 59.326 60.156 -0.830 17811 3339 1 4 . 1 1 60 60 VAL CB C 60 36.378 36.378 35.843 0.535 17811 3340 1 4 . 1 1 60 60 VAL H H 60 8.836 8.836 9.060 -0.224 17811 3341 1 4 . 1 1 61 61 VAL N N 61 124.480 124.480 118.211 6.269 17811 3342 1 4 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.677 -0.512 17811 3343 1 4 . 1 1 61 61 VAL C C 61 173.218 173.218 174.362 -1.144 17811 3344 1 4 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.228 1.701 17811 3345 1 4 . 1 1 61 61 VAL CB C 61 32.474 32.474 33.449 -0.975 17811 3346 1 4 . 1 1 61 61 VAL H H 61 8.507 8.507 8.867 -0.360 17811 3347 1 4 . 1 1 62 62 LEU N N 62 129.499 129.499 128.266 1.233 17811 3348 1 4 . 1 1 62 62 LEU HA H 62 5.472 5.472 4.753 0.720 17811 3349 1 4 . 1 1 62 62 LEU C C 62 175.095 175.095 175.704 -0.609 17811 3350 1 4 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.443 -0.693 17811 3351 1 4 . 1 1 62 62 LEU CB C 62 44.872 44.872 42.172 2.700 17811 3352 1 4 . 1 1 62 62 LEU H H 62 9.202 9.202 8.527 0.675 17811 3353 1 4 . 1 1 63 63 ALA N N 63 126.661 126.661 127.410 -0.749 17811 3354 1 4 . 1 1 63 63 ALA HA H 63 5.872 5.872 4.784 1.088 17811 3355 1 4 . 1 1 63 63 ALA C C 63 175.583 175.583 175.593 -0.010 17811 3356 1 4 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.532 -0.248 17811 3357 1 4 . 1 1 63 63 ALA CB C 63 25.556 25.556 20.917 4.639 17811 3358 1 4 . 1 1 63 63 ALA H H 63 9.567 9.567 8.896 0.671 17811 3359 1 4 . 1 1 64 64 LYS N N 64 117.967 117.967 123.811 -5.844 17811 3360 1 4 . 1 1 64 64 LYS HA H 64 5.000 5.000 4.987 0.013 17811 3361 1 4 . 1 1 64 64 LYS C C 64 174.057 174.057 173.744 0.313 17811 3362 1 4 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.907 0.391 17811 3363 1 4 . 1 1 64 64 LYS CB C 64 34.734 34.734 32.417 2.317 17811 3364 1 4 . 1 1 64 64 LYS H H 64 8.422 8.422 8.731 -0.309 17811 3365 1 4 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.556 -0.022 17811 3366 1 4 . 1 1 65 65 PRO C C 65 174.946 174.946 176.802 -1.856 17811 3367 1 4 . 1 1 65 65 PRO CA C 65 62.682 62.682 61.998 0.684 17811 3368 1 4 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.908 -0.160 17811 3369 1 4 . 1 1 66 66 ARG N N 66 121.057 121.057 117.484 3.573 17811 3370 1 4 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.689 -0.172 17811 3371 1 4 . 1 1 66 66 ARG C C 66 175.264 175.264 176.014 -0.750 17811 3372 1 4 . 1 1 66 66 ARG CA C 66 54.942 54.942 55.731 -0.789 17811 3373 1 4 . 1 1 66 66 ARG CB C 66 31.241 31.241 29.672 1.569 17811 3374 1 4 . 1 1 66 66 ARG H H 66 9.377 9.377 8.688 0.689 17811 3375 1 4 . 1 1 67 67 CYS N N 67 115.093 115.093 117.476 -2.383 17811 3376 1 4 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.707 -0.001 17811 3377 1 4 . 1 1 67 67 CYS C C 67 172.092 172.092 174.819 -2.727 17811 3378 1 4 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.407 -3.082 17811 3379 1 4 . 1 1 67 67 CYS CB C 67 30.899 30.899 28.956 1.943 17811 3380 1 4 . 1 1 67 67 CYS H H 67 7.303 7.303 7.834 -0.531 17811 3381 1 4 . 1 1 68 68 TYR N N 68 115.888 115.888 117.619 -1.731 17811 3382 1 4 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.382 0.038 17811 3383 1 4 . 1 1 68 68 TYR C C 68 178.080 178.080 177.561 0.519 17811 3384 1 4 . 1 1 68 68 TYR CA C 68 59.874 59.874 58.632 1.242 17811 3385 1 4 . 1 1 68 68 TYR CB C 68 38.365 38.365 39.139 -0.774 17811 3386 1 4 . 1 1 68 68 TYR H H 68 8.201 8.201 8.469 -0.268 17811 3387 1 4 . 1 1 69 69 MET N N 69 119.802 119.802 115.065 4.737 17811 3388 1 4 . 1 1 69 69 MET HA H 69 4.137 4.137 4.226 -0.089 17811 3389 1 4 . 1 1 69 69 MET C C 69 175.076 175.076 177.519 -2.443 17811 3390 1 4 . 1 1 69 69 MET CA C 69 58.641 58.641 57.971 0.670 17811 3391 1 4 . 1 1 69 69 MET CB C 69 33.090 33.090 32.608 0.481 17811 3392 1 4 . 1 1 69 69 MET H H 69 8.367 8.367 8.767 -0.400 17811 3393 1 4 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.473 -0.178 17811 3394 1 4 . 1 1 70 70 ASN C C 70 175.274 175.274 176.501 -1.227 17811 3395 1 4 . 1 1 70 70 ASN CA C 70 55.284 55.284 55.787 -0.503 17811 3396 1 4 . 1 1 70 70 ASN CB C 70 37.474 37.474 37.974 -0.500 17811 3397 1 4 . 1 1 71 71 GLU N N 71 117.111 117.111 117.920 -0.809 17811 3398 1 4 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.294 0.460 17811 3399 1 4 . 1 1 71 71 GLU C C 71 176.823 176.823 177.285 -0.462 17811 3400 1 4 . 1 1 71 71 GLU CA C 71 55.421 55.421 57.664 -2.243 17811 3401 1 4 . 1 1 71 71 GLU CB C 71 31.036 31.036 28.685 2.351 17811 3402 1 4 . 1 1 71 71 GLU H H 71 8.007 8.007 8.753 -0.746 17811 3403 1 4 . 1 1 72 72 SER N N 72 115.827 115.827 115.426 0.401 17811 3404 1 4 . 1 1 72 72 SER HA H 72 4.726 4.726 4.367 0.359 17811 3405 1 4 . 1 1 72 72 SER C C 72 177.029 177.029 176.967 0.062 17811 3406 1 4 . 1 1 72 72 SER CA C 72 63.778 63.778 60.965 2.813 17811 3407 1 4 . 1 1 72 72 SER CB C 72 63.890 63.890 62.706 1.184 17811 3408 1 4 . 1 1 72 72 SER H H 72 7.703 7.703 7.827 -0.124 17811 3409 1 4 . 1 1 73 73 GLY N N 73 109.887 109.887 110.019 -0.132 17811 3410 1 4 . 1 1 73 73 GLY C C 73 173.988 173.988 175.901 -1.913 17811 3411 1 4 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.344 2.090 17811 3412 1 4 . 1 1 73 73 GLY H H 73 9.527 9.527 7.895 1.632 17811 3413 1 4 . 1 1 74 74 ARG N N 74 119.068 119.068 118.723 0.345 17811 3414 1 4 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.276 -0.097 17811 3415 1 4 . 1 1 74 74 ARG C C 74 176.973 176.973 177.759 -0.786 17811 3416 1 4 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.284 0.740 17811 3417 1 4 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.419 0.247 17811 3418 1 4 . 1 1 74 74 ARG H H 74 8.207 8.207 7.397 0.810 17811 3419 1 4 . 1 1 75 75 GLN N N 75 113.474 113.474 117.479 -4.005 17811 3420 1 4 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.398 0.225 17811 3421 1 4 . 1 1 75 75 GLN C C 75 175.840 175.840 177.334 -1.494 17811 3422 1 4 . 1 1 75 75 GLN CA C 75 57.613 57.613 56.209 1.404 17811 3423 1 4 . 1 1 75 75 GLN CB C 75 29.597 29.597 28.367 1.230 17811 3424 1 4 . 1 1 75 75 GLN H H 75 7.260 7.260 7.609 -0.349 17811 3425 1 4 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.716 -0.286 17811 3426 1 4 . 1 1 76 76 VAL C C 76 176.463 176.463 177.309 -0.846 17811 3427 1 4 . 1 1 76 76 VAL CA C 76 66.998 66.998 66.141 0.857 17811 3428 1 4 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.365 1.109 17811 3429 1 4 . 1 1 77 77 GLY N N 77 104.918 104.918 108.388 -3.470 17811 3430 1 4 . 1 1 77 77 GLY C C 77 175.472 175.472 173.111 2.361 17811 3431 1 4 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.219 0.010 17811 3432 1 4 . 1 1 77 77 GLY H H 77 8.541 8.541 8.038 0.503 17811 3433 1 4 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.326 -0.109 17811 3434 1 4 . 1 1 78 78 PRO C C 78 179.208 179.208 177.066 2.142 17811 3435 1 4 . 1 1 78 78 PRO CA C 78 65.148 65.148 64.889 0.258 17811 3436 1 4 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.195 1.073 17811 3437 1 4 . 1 1 79 79 LEU N N 79 119.649 119.649 118.270 1.379 17811 3438 1 4 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.461 -0.507 17811 3439 1 4 . 1 1 79 79 LEU C C 79 177.367 177.367 178.145 -0.778 17811 3440 1 4 . 1 1 79 79 LEU CA C 79 58.504 58.504 56.379 2.125 17811 3441 1 4 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.545 1.341 17811 3442 1 4 . 1 1 79 79 LEU H H 79 7.466 7.466 7.392 0.074 17811 3443 1 4 . 1 1 80 80 ALA N N 80 120.470 120.470 122.522 -2.052 17811 3444 1 4 . 1 1 80 80 ALA HA H 80 3.888 3.888 3.956 -0.068 17811 3445 1 4 . 1 1 80 80 ALA C C 80 179.939 179.939 179.371 0.568 17811 3446 1 4 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.756 -0.266 17811 3447 1 4 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.572 -0.962 17811 3448 1 4 . 1 1 80 80 ALA H H 80 8.279 8.279 8.693 -0.414 17811 3449 1 4 . 1 1 81 81 LYS N N 81 116.408 116.408 116.688 -0.280 17811 3450 1 4 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.147 -0.053 17811 3451 1 4 . 1 1 81 81 LYS C C 81 179.920 179.920 178.620 1.300 17811 3452 1 4 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.733 0.182 17811 3453 1 4 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.317 0.020 17811 3454 1 4 . 1 1 81 81 LYS H H 81 7.798 7.798 7.747 0.051 17811 3455 1 4 . 1 1 82 82 PHE N N 82 121.199 121.199 118.290 2.909 17811 3456 1 4 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.339 -0.304 17811 3457 1 4 . 1 1 82 82 PHE C C 82 177.254 177.254 176.835 0.419 17811 3458 1 4 . 1 1 82 82 PHE CA C 82 61.449 61.449 60.377 1.072 17811 3459 1 4 . 1 1 82 82 PHE CB C 82 38.913 38.913 39.144 -0.231 17811 3460 1 4 . 1 1 82 82 PHE H H 82 8.489 8.489 7.859 0.629 17811 3461 1 4 . 1 1 83 83 TYR N N 83 114.176 114.176 115.253 -1.077 17811 3462 1 4 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.654 -0.250 17811 3463 1 4 . 1 1 83 83 TYR C C 83 173.368 173.368 175.226 -1.858 17811 3464 1 4 . 1 1 83 83 TYR CA C 83 59.600 59.600 58.092 1.508 17811 3465 1 4 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.772 0.279 17811 3466 1 4 . 1 1 83 83 TYR H H 83 7.634 7.634 7.881 -0.247 17811 3467 1 4 . 1 1 84 84 SER N N 84 114.910 114.910 113.730 1.180 17811 3468 1 4 . 1 1 84 84 SER HA H 84 4.020 4.020 4.215 -0.195 17811 3469 1 4 . 1 1 84 84 SER C C 84 173.518 173.518 174.465 -0.947 17811 3470 1 4 . 1 1 84 84 SER CA C 84 58.367 58.367 59.278 -0.910 17811 3471 1 4 . 1 1 84 84 SER CB C 84 61.244 61.244 62.065 -0.821 17811 3472 1 4 . 1 1 84 84 SER H H 84 7.674 7.674 7.751 -0.077 17811 3473 1 4 . 1 1 85 85 VAL N N 85 120.291 120.291 117.944 2.347 17811 3474 1 4 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.450 -0.493 17811 3475 1 4 . 1 1 85 85 VAL C C 85 174.171 174.171 174.132 0.039 17811 3476 1 4 . 1 1 85 85 VAL CA C 85 59.326 59.326 59.491 -0.165 17811 3477 1 4 . 1 1 85 85 VAL CB C 85 33.296 33.296 30.919 2.377 17811 3478 1 4 . 1 1 85 85 VAL H H 85 8.456 8.456 7.926 0.530 17811 3479 1 4 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.230 0.126 17811 3480 1 4 . 1 1 89 89 GLN C C 89 179.299 179.299 174.402 4.897 17811 3481 1 4 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.750 1.082 17811 3482 1 4 . 1 1 89 89 GLN CB C 89 29.255 29.255 30.708 -1.453 17811 3483 1 4 . 1 1 90 90 ILE N N 90 119.343 119.343 122.018 -2.675 17811 3484 1 4 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.594 -0.532 17811 3485 1 4 . 1 1 90 90 ILE C C 90 175.020 175.020 174.481 0.539 17811 3486 1 4 . 1 1 90 90 ILE CA C 90 60.627 60.627 59.770 0.857 17811 3487 1 4 . 1 1 90 90 ILE CB C 90 38.365 38.365 37.571 0.794 17811 3488 1 4 . 1 1 90 90 ILE H H 90 7.728 7.728 7.497 0.231 17811 3489 1 4 . 1 1 91 91 VAL N N 91 127.979 127.979 128.391 -0.412 17811 3490 1 4 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.966 -0.512 17811 3491 1 4 . 1 1 91 91 VAL C C 91 174.119 174.119 173.592 0.527 17811 3492 1 4 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.341 1.149 17811 3493 1 4 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.584 0.013 17811 3494 1 4 . 1 1 91 91 VAL H H 91 9.358 9.358 8.945 0.413 17811 3495 1 4 . 1 1 92 92 VAL N N 92 127.153 127.153 130.026 -2.873 17811 3496 1 4 . 1 1 92 92 VAL HA H 92 4.155 4.155 4.698 -0.543 17811 3497 1 4 . 1 1 92 92 VAL C C 92 174.326 174.326 175.153 -0.827 17811 3498 1 4 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.555 0.552 17811 3499 1 4 . 1 1 92 92 VAL CB C 92 33.570 33.570 33.046 0.524 17811 3500 1 4 . 1 1 92 92 VAL H H 92 9.268 9.268 7.803 1.465 17811 3501 1 4 . 1 1 93 93 ILE N N 93 128.894 128.894 123.280 5.614 17811 3502 1 4 . 1 1 93 93 ILE HA H 93 5.000 5.000 5.067 -0.067 17811 3503 1 4 . 1 1 93 93 ILE C C 93 174.945 174.945 174.674 0.271 17811 3504 1 4 . 1 1 93 93 ILE CA C 93 60.970 60.970 59.342 1.628 17811 3505 1 4 . 1 1 93 93 ILE CB C 93 39.461 39.461 38.650 0.811 17811 3506 1 4 . 1 1 93 93 ILE H H 93 9.198 9.198 8.634 0.564 17811 3507 1 4 . 1 1 94 94 HIS N N 94 121.624 121.624 126.074 -4.450 17811 3508 1 4 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.880 0.544 17811 3509 1 4 . 1 1 94 94 HIS C C 94 171.510 171.510 173.199 -1.689 17811 3510 1 4 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.026 0.162 17811 3511 1 4 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.868 -2.120 17811 3512 1 4 . 1 1 94 94 HIS H H 94 8.762 8.762 8.633 0.129 17811 3513 1 4 . 1 1 95 95 ASP N N 95 115.353 115.353 121.194 -5.841 17811 3514 1 4 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.887 0.217 17811 3515 1 4 . 1 1 95 95 ASP C C 95 177.555 177.555 175.789 1.766 17811 3516 1 4 . 1 1 95 95 ASP CA C 95 52.818 52.818 54.536 -1.718 17811 3517 1 4 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.187 0.877 17811 3518 1 4 . 1 1 95 95 ASP H H 95 10.045 10.045 8.602 1.443 17811 3519 1 4 . 1 1 96 96 GLU N N 96 125.562 125.562 126.446 -0.884 17811 3520 1 4 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.776 0.458 17811 3521 1 4 . 1 1 96 96 GLU C C 96 175.245 175.245 176.428 -1.183 17811 3522 1 4 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.139 0.460 17811 3523 1 4 . 1 1 96 96 GLU CB C 96 34.255 34.255 33.449 0.806 17811 3524 1 4 . 1 1 96 96 GLU H H 96 9.100 9.100 9.191 -0.091 17811 3525 1 4 . 1 1 97 97 LEU N N 97 130.882 130.882 123.863 7.019 17811 3526 1 4 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.865 -0.357 17811 3527 1 4 . 1 1 97 97 LEU C C 97 177.911 177.911 177.685 0.226 17811 3528 1 4 . 1 1 97 97 LEU CA C 97 56.928 56.928 55.483 1.445 17811 3529 1 4 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.953 1.686 17811 3530 1 4 . 1 1 97 97 LEU H H 97 8.774 8.774 8.928 -0.154 17811 3531 1 4 . 1 1 98 98 ASP N N 98 114.282 114.282 119.928 -5.646 17811 3532 1 4 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.341 0.124 17811 3533 1 4 . 1 1 98 98 ASP C C 98 175.339 175.339 175.745 -0.406 17811 3534 1 4 . 1 1 98 98 ASP CA C 98 55.969 55.969 57.376 -1.407 17811 3535 1 4 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.530 -0.905 17811 3536 1 4 . 1 1 98 98 ASP H H 98 8.729 8.729 8.188 0.541 17811 3537 1 4 . 1 1 99 99 ILE N N 99 116.163 116.163 117.583 -1.420 17811 3538 1 4 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.267 -0.381 17811 3539 1 4 . 1 1 99 99 ILE C C 99 174.044 174.044 174.700 -0.656 17811 3540 1 4 . 1 1 99 99 ILE CA C 99 59.394 59.394 59.598 -0.204 17811 3541 1 4 . 1 1 99 99 ILE CB C 99 40.968 40.968 39.993 0.975 17811 3542 1 4 . 1 1 99 99 ILE H H 99 7.149 7.149 7.232 -0.083 17811 3543 1 4 . 1 1 100 100 ASP N N 100 122.370 122.370 124.273 -1.903 17811 3544 1 4 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.613 -0.312 17811 3545 1 4 . 1 1 100 100 ASP C C 100 175.321 175.321 175.903 -0.582 17811 3546 1 4 . 1 1 100 100 ASP CA C 100 55.216 55.216 54.963 0.253 17811 3547 1 4 . 1 1 100 100 ASP CB C 100 41.584 41.584 42.016 -0.432 17811 3548 1 4 . 1 1 100 100 ASP H H 100 8.109 8.109 8.626 -0.517 17811 3549 1 4 . 1 1 101 101 PHE N N 101 119.674 119.674 122.071 -2.397 17811 3550 1 4 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.443 -0.410 17811 3551 1 4 . 1 1 101 101 PHE C C 101 176.654 176.654 176.849 -0.195 17811 3552 1 4 . 1 1 101 101 PHE CA C 101 59.463 59.463 59.956 -0.493 17811 3553 1 4 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.636 -0.312 17811 3554 1 4 . 1 1 101 101 PHE H H 101 8.598 8.598 8.858 -0.260 17811 3555 1 4 . 1 1 102 102 GLY N N 102 116.800 116.800 114.521 2.279 17811 3556 1 4 . 1 1 102 102 GLY C C 102 172.749 172.749 173.300 -0.551 17811 3557 1 4 . 1 1 102 102 GLY CA C 102 45.215 45.215 44.921 0.294 17811 3558 1 4 . 1 1 102 102 GLY H H 102 8.550 8.550 7.826 0.724 17811 3559 1 4 . 1 1 103 103 ARG N N 103 118.304 118.304 119.909 -1.605 17811 3560 1 4 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.886 -0.348 17811 3561 1 4 . 1 1 103 103 ARG C C 103 175.114 175.114 173.884 1.230 17811 3562 1 4 . 1 1 103 103 ARG CA C 103 54.736 54.736 53.975 0.761 17811 3563 1 4 . 1 1 103 103 ARG CB C 103 31.310 31.310 33.819 -2.510 17811 3564 1 4 . 1 1 103 103 ARG H H 103 7.730 7.730 7.355 0.375 17811 3565 1 4 . 1 1 104 104 ILE N N 104 122.440 122.440 116.203 6.237 17811 3566 1 4 . 1 1 104 104 ILE HA H 104 4.971 4.971 4.861 0.110 17811 3567 1 4 . 1 1 104 104 ILE C C 104 175.884 175.884 174.905 0.979 17811 3568 1 4 . 1 1 104 104 ILE CA C 104 59.805 59.805 58.869 0.936 17811 3569 1 4 . 1 1 104 104 ILE CB C 104 40.968 40.968 41.201 -0.233 17811 3570 1 4 . 1 1 104 104 ILE H H 104 8.687 8.687 8.297 0.390 17811 3571 1 4 . 1 1 105 105 ARG N N 105 124.391 124.391 121.276 3.115 17811 3572 1 4 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.730 0.172 17811 3573 1 4 . 1 1 105 105 ARG C C 105 174.157 174.157 174.472 -0.315 17811 3574 1 4 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.831 -2.917 17811 3575 1 4 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.609 0.988 17811 3576 1 4 . 1 1 105 105 ARG H H 105 9.025 9.025 8.822 0.203 17811 3577 1 4 . 1 1 106 106 LEU N N 106 123.612 123.612 124.606 -0.994 17811 3578 1 4 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.868 0.663 17811 3579 1 4 . 1 1 106 106 LEU C C 106 178.303 178.303 176.419 1.884 17811 3580 1 4 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.221 -1.060 17811 3581 1 4 . 1 1 106 106 LEU CB C 106 45.420 45.420 43.549 1.871 17811 3582 1 4 . 1 1 106 106 LEU H H 106 11.263 11.263 8.795 2.468 17811 3583 1 4 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.706 -0.630 17811 3584 1 4 . 1 1 107 107 LYS C C 107 175.241 175.241 174.170 1.071 17811 3585 1 4 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.339 1.080 17811 3586 1 4 . 1 1 107 107 LYS CB C 107 38.913 38.913 37.121 1.792 17811 3587 1 4 . 1 1 108 108 LEU N N 108 125.733 125.733 121.579 4.154 17811 3588 1 4 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.874 -0.211 17811 3589 1 4 . 1 1 108 108 LEU C C 108 176.152 176.152 175.918 0.234 17811 3590 1 4 . 1 1 108 108 LEU CA C 108 54.325 54.325 55.090 -0.765 17811 3591 1 4 . 1 1 108 108 LEU CB C 108 42.374 42.374 40.779 1.595 17811 3592 1 4 . 1 1 108 108 LEU H H 108 8.488 8.488 8.574 -0.086 17811 3593 1 4 . 1 1 109 109 GLY N N 109 113.088 113.088 111.744 1.344 17811 3594 1 4 . 1 1 109 109 GLY C C 109 171.829 171.829 173.216 -1.387 17811 3595 1 4 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.446 -0.985 17811 3596 1 4 . 1 1 109 109 GLY H H 109 7.427 7.427 7.656 -0.229 17811 3597 1 4 . 1 1 110 110 GLY N N 110 102.747 102.747 107.481 -4.734 17811 3598 1 4 . 1 1 110 110 GLY C C 110 174.538 174.538 173.471 1.067 17811 3599 1 4 . 1 1 110 110 GLY CA C 110 44.050 44.050 43.596 0.454 17811 3600 1 4 . 1 1 110 110 GLY H H 110 7.685 7.685 8.506 -0.821 17811 3601 1 4 . 1 1 111 111 GLY N N 111 117.376 117.376 106.476 10.900 17811 3602 1 4 . 1 1 111 111 GLY C C 111 172.020 172.020 173.420 -1.400 17811 3603 1 4 . 1 1 111 111 GLY CA C 111 43.845 43.845 44.837 -0.991 17811 3604 1 4 . 1 1 111 111 GLY H H 111 8.252 8.252 8.313 -0.061 17811 3605 1 4 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.771 -0.577 17811 3606 1 4 . 1 1 112 112 GLU C C 112 177.997 177.997 176.686 1.311 17811 3607 1 4 . 1 1 112 112 GLU CA C 112 57.202 57.202 55.514 1.688 17811 3608 1 4 . 1 1 112 112 GLU CB C 112 29.489 29.489 30.668 -1.179 17811 3609 1 4 . 1 1 113 113 GLY N N 113 110.029 110.029 107.996 2.033 17811 3610 1 4 . 1 1 113 113 GLY C C 113 175.583 175.583 175.110 0.473 17811 3611 1 4 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.279 1.717 17811 3612 1 4 . 1 1 113 113 GLY H H 113 8.638 8.638 7.666 0.972 17811 3613 1 4 . 1 1 114 114 GLY N N 114 107.830 107.830 109.181 -1.351 17811 3614 1 4 . 1 1 114 114 GLY C C 114 173.838 173.838 175.157 -1.319 17811 3615 1 4 . 1 1 114 114 GLY CA C 114 45.352 45.352 45.382 -0.030 17811 3616 1 4 . 1 1 114 114 GLY H H 114 8.579 8.579 8.893 -0.314 17811 3617 1 4 . 1 1 115 115 HIS N N 115 122.890 122.890 117.343 5.547 17811 3618 1 4 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.205 0.498 17811 3619 1 4 . 1 1 115 115 HIS C C 115 176.520 176.520 175.616 0.904 17811 3620 1 4 . 1 1 115 115 HIS CA C 115 57.956 57.956 58.550 -0.594 17811 3621 1 4 . 1 1 115 115 HIS CB C 115 32.405 32.405 27.866 4.538 17811 3622 1 4 . 1 1 115 115 HIS H H 115 7.830 7.830 8.587 -0.757 17811 3623 1 4 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.426 -0.130 17811 3624 1 4 . 1 1 116 116 ASN C C 116 178.246 178.246 176.770 1.476 17811 3625 1 4 . 1 1 116 116 ASN CA C 116 56.380 56.380 56.789 -0.409 17811 3626 1 4 . 1 1 116 116 ASN CB C 116 36.721 36.721 38.399 -1.678 17811 3627 1 4 . 1 1 117 117 GLY N N 117 113.570 113.570 106.429 7.141 17811 3628 1 4 . 1 1 117 117 GLY C C 117 175.114 175.114 176.286 -1.172 17811 3629 1 4 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.138 1.270 17811 3630 1 4 . 1 1 117 117 GLY H H 117 9.245 9.245 8.627 0.618 17811 3631 1 4 . 1 1 118 118 LEU N N 118 123.746 123.746 121.878 1.868 17811 3632 1 4 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.249 -0.413 17811 3633 1 4 . 1 1 118 118 LEU C C 118 179.150 179.150 178.229 0.921 17811 3634 1 4 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.681 1.412 17811 3635 1 4 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.871 0.467 17811 3636 1 4 . 1 1 118 118 LEU H H 118 8.133 8.133 7.047 1.086 17811 3637 1 4 . 1 1 119 119 ARG N N 119 117.495 117.495 119.465 -1.970 17811 3638 1 4 . 1 1 119 119 ARG HA H 119 4.061 4.061 3.835 0.226 17811 3639 1 4 . 1 1 119 119 ARG C C 119 178.400 178.400 178.145 0.255 17811 3640 1 4 . 1 1 119 119 ARG CA C 119 59.737 59.737 59.714 0.023 17811 3641 1 4 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.175 1.312 17811 3642 1 4 . 1 1 119 119 ARG H H 119 8.234 8.234 8.385 -0.151 17811 3643 1 4 . 1 1 120 120 SER N N 120 112.769 112.769 116.426 -3.657 17811 3644 1 4 . 1 1 120 120 SER HA H 120 4.218 4.218 4.193 0.025 17811 3645 1 4 . 1 1 120 120 SER C C 120 178.568 178.568 176.722 1.846 17811 3646 1 4 . 1 1 120 120 SER CA C 120 60.901 60.901 61.437 -0.536 17811 3647 1 4 . 1 1 120 120 SER CB C 120 63.367 63.367 62.883 0.484 17811 3648 1 4 . 1 1 120 120 SER H H 120 7.283 7.283 7.664 -0.381 17811 3649 1 4 . 1 1 121 121 VAL N N 121 120.291 120.291 121.673 -1.382 17811 3650 1 4 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.836 -0.577 17811 3651 1 4 . 1 1 121 121 VAL C C 121 176.485 176.485 177.696 -1.211 17811 3652 1 4 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.138 2.957 17811 3653 1 4 . 1 1 121 121 VAL CB C 121 31.584 31.584 30.897 0.687 17811 3654 1 4 . 1 1 121 121 VAL H H 121 8.263 8.263 7.414 0.849 17811 3655 1 4 . 1 1 122 122 ALA N N 122 120.702 120.702 123.808 -3.106 17811 3656 1 4 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.339 0.146 17811 3657 1 4 . 1 1 122 122 ALA C C 122 181.178 181.178 180.210 0.968 17811 3658 1 4 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.069 0.215 17811 3659 1 4 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.513 0.056 17811 3660 1 4 . 1 1 122 122 ALA H H 122 8.708 8.708 7.933 0.775 17811 3661 1 4 . 1 1 123 123 SER N N 123 113.198 113.198 114.076 -0.878 17811 3662 1 4 . 1 1 123 123 SER HA H 123 4.049 4.049 4.291 -0.242 17811 3663 1 4 . 1 1 123 123 SER C C 123 176.672 176.672 176.552 0.120 17811 3664 1 4 . 1 1 123 123 SER CA C 123 61.312 61.312 61.075 0.237 17811 3665 1 4 . 1 1 123 123 SER CB C 123 62.888 62.888 62.824 0.064 17811 3666 1 4 . 1 1 123 123 SER H H 123 8.137 8.137 8.630 -0.493 17811 3667 1 4 . 1 1 124 124 ALA N N 124 122.798 122.798 124.466 -1.668 17811 3668 1 4 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.238 -0.102 17811 3669 1 4 . 1 1 124 124 ALA C C 124 180.052 180.052 178.923 1.129 17811 3670 1 4 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.403 0.265 17811 3671 1 4 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.699 1.171 17811 3672 1 4 . 1 1 124 124 ALA H H 124 7.692 7.692 7.638 0.054 17811 3673 1 4 . 1 1 125 125 LEU N N 125 114.359 114.359 117.162 -2.803 17811 3674 1 4 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.175 0.016 17811 3675 1 4 . 1 1 125 125 LEU C C 125 178.024 178.024 178.174 -0.150 17811 3676 1 4 . 1 1 125 125 LEU CA C 125 55.490 55.490 55.142 0.348 17811 3677 1 4 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.810 0.144 17811 3678 1 4 . 1 1 125 125 LEU H H 125 8.219 8.219 7.832 0.387 17811 3679 1 4 . 1 1 126 126 GLY N N 126 106.746 106.746 105.739 1.007 17811 3680 1 4 . 1 1 126 126 GLY C C 126 173.124 173.124 174.271 -1.147 17811 3681 1 4 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.142 0.416 17811 3682 1 4 . 1 1 126 126 GLY H H 126 7.910 7.910 8.317 -0.407 17811 3683 1 4 . 1 1 127 127 THR N N 127 112.372 112.372 112.648 -0.276 17811 3684 1 4 . 1 1 127 127 THR HA H 127 4.586 4.586 4.544 0.042 17811 3685 1 4 . 1 1 127 127 THR C C 127 170.252 170.252 173.755 -3.503 17811 3686 1 4 . 1 1 127 127 THR CA C 127 59.463 59.463 60.345 -0.882 17811 3687 1 4 . 1 1 127 127 THR CB C 127 67.751 67.751 69.904 -2.153 17811 3688 1 4 . 1 1 127 127 THR H H 127 7.611 7.611 7.458 0.153 17811 3689 1 4 . 1 1 128 128 LYS N N 128 120.933 120.933 119.690 1.243 17811 3690 1 4 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.093 0.221 17811 3691 1 4 . 1 1 128 128 LYS C C 128 178.400 178.400 177.028 1.372 17811 3692 1 4 . 1 1 128 128 LYS CA C 128 56.038 56.038 58.128 -2.090 17811 3693 1 4 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.181 0.567 17811 3694 1 4 . 1 1 128 128 LYS H H 128 8.075 8.075 8.618 -0.543 17811 3695 1 4 . 1 1 129 129 ASN N N 129 124.675 124.675 113.418 11.257 17811 3696 1 4 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.308 -0.004 17811 3697 1 4 . 1 1 129 129 ASN C C 129 171.284 171.284 173.992 -2.708 17811 3698 1 4 . 1 1 129 129 ASN CA C 129 54.120 54.120 55.299 -1.179 17811 3699 1 4 . 1 1 129 129 ASN CB C 129 37.063 37.063 38.392 -1.329 17811 3700 1 4 . 1 1 129 129 ASN H H 129 8.736 8.736 7.969 0.767 17811 3701 1 4 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.937 0.154 17811 3702 1 4 . 1 1 131 131 HIS C C 131 175.397 175.397 172.846 2.551 17811 3703 1 4 . 1 1 131 131 HIS CA C 131 60.148 60.148 55.234 4.914 17811 3704 1 4 . 1 1 131 131 HIS CB C 131 30.967 30.967 32.127 -1.160 17811 3705 1 4 . 1 1 132 132 ARG N N 132 119.440 119.440 117.466 1.974 17811 3706 1 4 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.877 1.072 17811 3707 1 4 . 1 1 132 132 ARG C C 132 174.945 174.945 174.233 0.712 17811 3708 1 4 . 1 1 132 132 ARG CA C 132 55.558 55.558 54.629 0.929 17811 3709 1 4 . 1 1 132 132 ARG CB C 132 32.679 32.679 34.193 -1.514 17811 3710 1 4 . 1 1 132 132 ARG H H 132 9.525 9.525 8.476 1.049 17811 3711 1 4 . 1 1 133 133 VAL N N 133 124.107 124.107 119.738 4.369 17811 3712 1 4 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.587 -0.480 17811 3713 1 4 . 1 1 133 133 VAL C C 133 172.805 172.805 174.626 -1.821 17811 3714 1 4 . 1 1 133 133 VAL CA C 133 62.477 62.477 60.837 1.641 17811 3715 1 4 . 1 1 133 133 VAL CB C 133 32.405 32.405 33.640 -1.235 17811 3716 1 4 . 1 1 133 133 VAL H H 133 8.669 8.669 8.938 -0.269 17811 3717 1 4 . 1 1 134 134 ARG N N 134 123.782 123.782 126.696 -2.914 17811 3718 1 4 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.866 -1.242 17811 3719 1 4 . 1 1 134 134 ARG C C 134 174.964 174.964 175.383 -0.419 17811 3720 1 4 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.880 -0.966 17811 3721 1 4 . 1 1 134 134 ARG CB C 134 32.063 32.063 31.347 0.716 17811 3722 1 4 . 1 1 134 134 ARG H H 134 8.822 8.822 9.254 -0.432 17811 3723 1 4 . 1 1 135 135 ILE N N 135 122.618 122.618 127.194 -4.576 17811 3724 1 4 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.152 0.148 17811 3725 1 4 . 1 1 135 135 ILE C C 135 175.809 175.809 175.533 0.276 17811 3726 1 4 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.261 0.366 17811 3727 1 4 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.085 0.348 17811 3728 1 4 . 1 1 135 135 ILE H H 135 8.532 8.532 9.076 -0.544 17811 3729 1 4 . 1 1 136 136 GLY N N 136 116.268 116.268 117.031 -0.763 17811 3730 1 4 . 1 1 136 136 GLY C C 136 175.302 175.302 174.890 0.412 17811 3731 1 4 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.308 3.126 17811 3732 1 4 . 1 1 136 136 GLY H H 136 9.240 9.240 8.365 0.875 17811 3733 1 4 . 1 1 137 137 VAL N N 137 111.669 111.669 126.933 -15.264 17811 3734 1 4 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.422 0.773 17811 3735 1 4 . 1 1 137 137 VAL C C 137 176.691 176.691 176.288 0.403 17811 3736 1 4 . 1 1 137 137 VAL CA C 137 60.216 60.216 61.622 -1.406 17811 3737 1 4 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.938 0.906 17811 3738 1 4 . 1 1 137 137 VAL H H 137 8.370 8.370 8.529 -0.159 17811 3739 1 4 . 1 1 138 138 GLY N N 138 111.577 111.577 109.350 2.227 17811 3740 1 4 . 1 1 138 138 GLY C C 138 169.895 169.895 173.335 -3.440 17811 3741 1 4 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.816 0.673 17811 3742 1 4 . 1 1 138 138 GLY H H 138 8.524 8.524 8.028 0.496 17811 3743 1 4 . 1 1 139 139 ARG N N 139 112.983 112.983 119.714 -6.731 17811 3744 1 4 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.709 -0.324 17811 3745 1 4 . 1 1 139 139 ARG C C 139 175.133 175.133 174.012 1.121 17811 3746 1 4 . 1 1 139 139 ARG CA C 139 53.161 53.161 52.681 0.480 17811 3747 1 4 . 1 1 139 139 ARG CB C 139 29.666 29.666 29.497 0.169 17811 3748 1 4 . 1 1 139 139 ARG H H 139 7.603 7.603 8.467 -0.864 17811 3749 1 4 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.473 0.160 17811 3750 1 4 . 1 1 141 141 PRO C C 141 176.503 176.503 176.001 0.502 17811 3751 1 4 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.834 0.123 17811 3752 1 4 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.612 0.341 17811 3753 1 4 . 1 1 142 142 GLY N N 142 107.144 107.144 109.552 -2.408 17811 3754 1 4 . 1 1 142 142 GLY C C 142 175.076 175.076 173.739 1.337 17811 3755 1 4 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.459 -0.929 17811 3756 1 4 . 1 1 142 142 GLY H H 142 8.228 8.228 7.911 0.317 17811 3757 1 4 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.460 -0.195 17811 3758 1 4 . 1 1 143 143 ARG C C 143 175.848 175.848 176.121 -0.273 17811 3759 1 4 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.114 -0.693 17811 3760 1 4 . 1 1 143 143 ARG CB C 143 29.118 29.118 31.073 -1.956 17811 3761 1 4 . 1 1 144 144 LYS N N 144 121.850 121.850 121.491 0.359 17811 3762 1 4 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.595 -0.536 17811 3763 1 4 . 1 1 144 144 LYS C C 144 175.152 175.152 174.931 0.221 17811 3764 1 4 . 1 1 144 144 LYS CA C 144 56.312 56.312 55.252 1.060 17811 3765 1 4 . 1 1 144 144 LYS CB C 144 32.611 32.611 34.411 -1.800 17811 3766 1 4 . 1 1 144 144 LYS H H 144 7.542 7.542 7.750 -0.208 17811 3767 1 4 . 1 1 145 145 ASP N N 145 126.413 126.413 124.222 2.191 17811 3768 1 4 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.705 -0.002 17811 3769 1 4 . 1 1 145 145 ASP C C 145 176.208 176.208 176.425 -0.217 17811 3770 1 4 . 1 1 145 145 ASP CA C 145 52.339 52.339 53.975 -1.636 17811 3771 1 4 . 1 1 145 145 ASP CB C 145 42.406 42.406 41.190 1.216 17811 3772 1 4 . 1 1 145 145 ASP H H 145 8.507 8.507 8.607 -0.100 17811 3773 1 4 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.709 -0.036 17811 3774 1 4 . 1 1 146 146 PRO C C 146 177.555 177.555 177.723 -0.168 17811 3775 1 4 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.159 0.469 17811 3776 1 4 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.824 0.718 17811 3777 1 4 . 1 1 147 147 ALA N N 147 119.068 119.068 121.456 -2.388 17811 3778 1 4 . 1 1 147 147 ALA HA H 147 3.996 3.996 3.967 0.029 17811 3779 1 4 . 1 1 147 147 ALA C C 147 179.236 179.236 179.106 0.130 17811 3780 1 4 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.583 0.016 17811 3781 1 4 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.175 0.188 17811 3782 1 4 . 1 1 147 147 ALA H H 147 8.161 8.161 8.132 0.029 17811 3783 1 4 . 1 1 148 148 ALA N N 148 118.488 118.488 119.205 -0.717 17811 3784 1 4 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.236 -0.069 17811 3785 1 4 . 1 1 148 148 ALA C C 148 180.397 180.397 178.408 1.989 17811 3786 1 4 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.807 0.381 17811 3787 1 4 . 1 1 148 148 ALA CB C 148 18.774 18.774 18.870 -0.096 17811 3788 1 4 . 1 1 148 148 ALA H H 148 7.210 7.210 7.590 -0.380 17811 3789 1 4 . 1 1 149 149 PHE N N 149 118.247 118.247 115.614 2.633 17811 3790 1 4 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.443 -0.305 17811 3791 1 4 . 1 1 149 149 PHE C C 149 178.080 178.080 177.914 0.166 17811 3792 1 4 . 1 1 149 149 PHE CA C 149 60.353 60.353 59.762 0.591 17811 3793 1 4 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.294 1.538 17811 3794 1 4 . 1 1 149 149 PHE H H 149 8.099 8.099 7.136 0.963 17811 3795 1 4 . 1 1 150 150 VAL N N 150 107.786 107.786 120.723 -12.937 17811 3796 1 4 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.870 -0.033 17811 3797 1 4 . 1 1 150 150 VAL C C 150 174.757 174.757 175.888 -1.131 17811 3798 1 4 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.626 -0.780 17811 3799 1 4 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.801 -1.039 17811 3800 1 4 . 1 1 150 150 VAL H H 150 7.587 7.587 8.325 -0.738 17811 3801 1 4 . 1 1 151 151 LEU N N 151 118.783 118.783 110.022 8.761 17811 3802 1 4 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.539 -0.064 17811 3803 1 4 . 1 1 151 151 LEU C C 151 174.926 174.926 175.533 -0.607 17811 3804 1 4 . 1 1 151 151 LEU CA C 151 53.709 53.709 54.970 -1.261 17811 3805 1 4 . 1 1 151 151 LEU CB C 151 41.036 41.036 41.638 -0.602 17811 3806 1 4 . 1 1 151 151 LEU H H 151 6.914 6.914 7.663 -0.749 17811 3807 1 4 . 1 1 152 152 GLU N N 152 118.356 118.356 116.616 1.740 17811 3808 1 4 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.561 -0.236 17811 3809 1 4 . 1 1 152 152 GLU C C 152 175.752 175.752 174.560 1.192 17811 3810 1 4 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.825 -1.226 17811 3811 1 4 . 1 1 152 152 GLU CB C 152 31.995 31.995 31.265 0.730 17811 3812 1 4 . 1 1 152 152 GLU H H 152 6.823 6.823 7.645 -0.822 17811 3813 1 4 . 1 1 153 153 ASN N N 153 116.805 116.805 121.922 -5.117 17811 3814 1 4 . 1 1 153 153 ASN HA H 153 4.603 4.603 5.003 -0.400 17811 3815 1 4 . 1 1 153 153 ASN C C 153 175.734 175.734 174.473 1.261 17811 3816 1 4 . 1 1 153 153 ASN CA C 153 52.750 52.750 52.588 0.162 17811 3817 1 4 . 1 1 153 153 ASN CB C 153 38.844 38.844 41.024 -2.180 17811 3818 1 4 . 1 1 153 153 ASN H H 153 8.064 8.064 8.453 -0.389 17811 3819 1 4 . 1 1 154 154 PHE N N 154 116.744 116.744 119.622 -2.878 17811 3820 1 4 . 1 1 154 154 PHE HA H 154 4.325 4.325 4.908 -0.583 17811 3821 1 4 . 1 1 154 154 PHE C C 154 177.142 177.142 174.717 2.425 17811 3822 1 4 . 1 1 154 154 PHE CA C 154 60.148 60.148 55.332 4.816 17811 3823 1 4 . 1 1 154 154 PHE CB C 154 38.776 38.776 38.306 0.470 17811 3824 1 4 . 1 1 154 154 PHE H H 154 7.410 7.410 8.234 -0.824 17811 3825 1 4 . 1 1 155 155 THR N N 155 113.714 113.714 119.969 -6.255 17811 3826 1 4 . 1 1 155 155 THR HA H 155 4.691 4.691 4.002 0.689 17811 3827 1 4 . 1 1 155 155 THR C C 155 174.870 174.870 175.680 -0.810 17811 3828 1 4 . 1 1 155 155 THR CA C 155 61.648 61.648 62.667 -1.019 17811 3829 1 4 . 1 1 155 155 THR CB C 155 70.697 70.697 69.410 1.287 17811 3830 1 4 . 1 1 155 155 THR H H 155 9.356 9.356 7.270 2.086 17811 3831 1 4 . 1 1 156 156 ALA N N 156 122.937 122.937 131.056 -8.119 17811 3832 1 4 . 1 1 156 156 ALA HA H 156 4.339 4.339 3.976 0.363 17811 3833 1 4 . 1 1 156 156 ALA C C 156 180.132 180.132 179.304 0.828 17811 3834 1 4 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.938 1.168 17811 3835 1 4 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.292 -0.340 17811 3836 1 4 . 1 1 156 156 ALA H H 156 8.931 8.931 8.809 0.122 17811 3837 1 4 . 1 1 157 157 ALA N N 157 118.892 118.892 121.312 -2.420 17811 3838 1 4 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.021 0.146 17811 3839 1 4 . 1 1 157 157 ALA C C 157 181.009 181.009 179.236 1.773 17811 3840 1 4 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.941 -0.273 17811 3841 1 4 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.240 0.260 17811 3842 1 4 . 1 1 157 157 ALA H H 157 8.248 8.248 8.231 0.017 17811 3843 1 4 . 1 1 158 158 GLU N N 158 118.304 118.304 117.239 1.065 17811 3844 1 4 . 1 1 158 158 GLU HA H 158 3.778 3.778 3.515 0.263 17811 3845 1 4 . 1 1 158 158 GLU C C 158 179.920 179.920 179.309 0.611 17811 3846 1 4 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.092 0.206 17811 3847 1 4 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.181 2.581 17811 3848 1 4 . 1 1 158 158 GLU H H 158 7.486 7.486 7.866 -0.380 17811 3849 1 4 . 1 1 159 159 ARG N N 159 118.363 118.363 119.472 -1.109 17811 3850 1 4 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.121 -0.418 17811 3851 1 4 . 1 1 159 159 ARG C C 159 177.793 177.793 177.494 0.299 17811 3852 1 4 . 1 1 159 159 ARG CA C 159 59.763 59.763 58.269 1.494 17811 3853 1 4 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.393 1.026 17811 3854 1 4 . 1 1 159 159 ARG H H 159 9.117 9.117 8.057 1.060 17811 3855 1 4 . 1 1 160 160 ALA N N 160 118.334 118.334 119.632 -1.298 17811 3856 1 4 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.365 -0.183 17811 3857 1 4 . 1 1 160 160 ALA C C 160 178.512 178.512 178.317 0.195 17811 3858 1 4 . 1 1 160 160 ALA CA C 160 54.325 54.325 53.760 0.565 17811 3859 1 4 . 1 1 160 160 ALA CB C 160 18.774 18.774 19.224 -0.450 17811 3860 1 4 . 1 1 160 160 ALA H H 160 7.227 7.227 7.524 -0.297 17811 3861 1 4 . 1 1 161 161 GLU N N 161 114.910 114.910 117.657 -2.747 17811 3862 1 4 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.594 -0.051 17811 3863 1 4 . 1 1 161 161 GLU C C 161 177.085 177.085 178.225 -1.140 17811 3864 1 4 . 1 1 161 161 GLU CA C 161 56.243 56.243 57.131 -0.888 17811 3865 1 4 . 1 1 161 161 GLU CB C 161 31.926 31.926 30.498 1.428 17811 3866 1 4 . 1 1 161 161 GLU H H 161 7.705 7.705 7.728 -0.023 17811 3867 1 4 . 1 1 162 162 VAL N N 162 120.126 120.126 121.369 -1.243 17811 3868 1 4 . 1 1 162 162 VAL HA H 162 4.153 4.153 4.035 0.118 17811 3869 1 4 . 1 1 162 162 VAL C C 162 173.208 173.208 175.550 -2.342 17811 3870 1 4 . 1 1 162 162 VAL CA C 162 68.779 68.779 67.954 0.825 17811 3871 1 4 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.095 1.119 17811 3872 1 4 . 1 1 162 162 VAL H H 162 7.509 7.509 7.680 -0.171 17811 3873 1 4 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.279 -0.121 17811 3874 1 4 . 1 1 163 163 PRO C C 163 179.146 179.146 178.645 0.501 17811 3875 1 4 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.319 0.405 17811 3876 1 4 . 1 1 163 163 PRO CB C 163 30.762 30.762 30.984 -0.222 17811 3877 1 4 . 1 1 164 164 THR N N 164 113.503 113.503 113.073 0.430 17811 3878 1 4 . 1 1 164 164 THR HA H 164 4.295 4.295 4.011 0.284 17811 3879 1 4 . 1 1 164 164 THR C C 164 175.696 175.696 176.739 -1.043 17811 3880 1 4 . 1 1 164 164 THR CA C 164 66.244 66.244 66.031 0.213 17811 3881 1 4 . 1 1 164 164 THR CB C 164 68.710 68.710 67.925 0.784 17811 3882 1 4 . 1 1 164 164 THR H H 164 7.260 7.260 8.303 -1.043 17811 3883 1 4 . 1 1 165 165 ILE N N 165 124.266 124.266 122.526 1.740 17811 3884 1 4 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.586 0.139 17811 3885 1 4 . 1 1 165 165 ILE C C 165 177.949 177.949 178.038 -0.089 17811 3886 1 4 . 1 1 165 165 ILE CA C 165 65.148 65.148 64.734 0.414 17811 3887 1 4 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.484 0.949 17811 3888 1 4 . 1 1 165 165 ILE H H 165 7.781 7.781 7.225 0.556 17811 3889 1 4 . 1 1 166 166 VAL N N 166 117.723 117.723 119.908 -2.185 17811 3890 1 4 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.376 0.135 17811 3891 1 4 . 1 1 166 166 VAL C C 166 178.062 178.062 178.070 -0.008 17811 3892 1 4 . 1 1 166 166 VAL CA C 166 66.792 66.792 66.849 -0.057 17811 3893 1 4 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.365 0.013 17811 3894 1 4 . 1 1 166 166 VAL H H 166 8.605 8.605 7.702 0.903 17811 3895 1 4 . 1 1 167 167 GLU N N 167 119.572 119.572 118.181 1.391 17811 3896 1 4 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.940 -0.097 17811 3897 1 4 . 1 1 167 167 GLU C C 167 179.000 179.000 179.300 -0.300 17811 3898 1 4 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.320 0.485 17811 3899 1 4 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.167 0.019 17811 3900 1 4 . 1 1 167 167 GLU H H 167 7.408 7.408 8.148 -0.740 17811 3901 1 4 . 1 1 168 168 GLN N N 168 118.334 118.334 117.882 0.452 17811 3902 1 4 . 1 1 168 168 GLN HA H 168 3.967 3.967 3.853 0.114 17811 3903 1 4 . 1 1 168 168 GLN C C 168 179.038 179.038 177.957 1.081 17811 3904 1 4 . 1 1 168 168 GLN CA C 168 59.463 59.463 57.758 1.705 17811 3905 1 4 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.316 0.596 17811 3906 1 4 . 1 1 168 168 GLN H H 168 8.298 8.298 7.561 0.737 17811 3907 1 4 . 1 1 169 169 ALA N N 169 123.008 123.008 121.190 1.818 17811 3908 1 4 . 1 1 169 169 ALA HA H 169 4.062 4.062 3.957 0.105 17811 3909 1 4 . 1 1 169 169 ALA C C 169 180.408 180.408 178.964 1.444 17811 3910 1 4 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.393 0.823 17811 3911 1 4 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.044 1.141 17811 3912 1 4 . 1 1 169 169 ALA H H 169 9.106 9.106 7.941 1.165 17811 3913 1 4 . 1 1 170 170 ALA N N 170 125.275 125.275 121.776 3.499 17811 3914 1 4 . 1 1 170 170 ALA HA H 170 3.930 3.930 3.887 0.043 17811 3915 1 4 . 1 1 170 170 ALA C C 170 178.831 178.831 178.984 -0.153 17811 3916 1 4 . 1 1 170 170 ALA CA C 170 55.969 55.969 55.506 0.463 17811 3917 1 4 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.078 -0.948 17811 3918 1 4 . 1 1 170 170 ALA H H 170 8.364 8.364 7.690 0.674 17811 3919 1 4 . 1 1 171 171 ASP N N 171 120.702 120.702 119.559 1.143 17811 3920 1 4 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.304 -0.051 17811 3921 1 4 . 1 1 171 171 ASP C C 171 179.507 179.507 178.495 1.012 17811 3922 1 4 . 1 1 171 171 ASP CA C 171 57.887 57.887 58.059 -0.173 17811 3923 1 4 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.356 -0.621 17811 3924 1 4 . 1 1 171 171 ASP H H 171 8.656 8.656 7.890 0.766 17811 3925 1 4 . 1 1 172 172 ALA N N 172 122.759 122.759 122.048 0.711 17811 3926 1 4 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.167 -0.227 17811 3927 1 4 . 1 1 172 172 ALA C C 172 178.137 178.137 179.764 -1.627 17811 3928 1 4 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.233 -0.223 17811 3929 1 4 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.504 1.366 17811 3930 1 4 . 1 1 172 172 ALA H H 172 9.380 9.380 7.478 1.902 17811 3931 1 4 . 1 1 173 173 THR N N 173 115.154 115.154 115.171 -0.017 17811 3932 1 4 . 1 1 173 173 THR HA H 173 4.430 4.430 3.886 0.544 17811 3933 1 4 . 1 1 173 173 THR C C 173 175.940 175.940 176.484 -0.544 17811 3934 1 4 . 1 1 173 173 THR CA C 173 68.162 68.162 67.644 0.518 17811 3935 1 4 . 1 1 173 173 THR CB C 173 68.162 68.162 68.487 -0.325 17811 3936 1 4 . 1 1 173 173 THR H H 173 7.811 7.811 8.385 -0.574 17811 3937 1 4 . 1 1 174 174 GLU N N 174 118.915 118.915 122.132 -3.217 17811 3938 1 4 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.016 -0.372 17811 3939 1 4 . 1 1 174 174 GLU C C 174 178.475 178.475 178.694 -0.219 17811 3940 1 4 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.423 1.958 17811 3941 1 4 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.716 0.498 17811 3942 1 4 . 1 1 174 174 GLU H H 174 7.832 7.832 7.928 -0.096 17811 3943 1 4 . 1 1 175 175 LEU N N 175 119.457 119.457 120.980 -1.523 17811 3944 1 4 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.128 -0.179 17811 3945 1 4 . 1 1 175 175 LEU C C 175 178.268 178.268 178.398 -0.130 17811 3946 1 4 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.558 0.672 17811 3947 1 4 . 1 1 175 175 LEU CB C 175 42.475 42.475 42.000 0.475 17811 3948 1 4 . 1 1 175 175 LEU H H 175 8.144 8.144 7.777 0.367 17811 3949 1 4 . 1 1 176 176 LEU N N 176 120.413 120.413 121.199 -0.786 17811 3950 1 4 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.461 -0.870 17811 3951 1 4 . 1 1 176 176 LEU C C 176 177.799 177.799 178.699 -0.900 17811 3952 1 4 . 1 1 176 176 LEU CA C 176 58.093 58.093 57.760 0.333 17811 3953 1 4 . 1 1 176 176 LEU CB C 176 41.721 41.721 42.173 -0.452 17811 3954 1 4 . 1 1 176 176 LEU H H 176 7.970 7.970 7.905 0.065 17811 3955 1 4 . 1 1 177 177 ILE N N 177 115.277 115.277 117.461 -2.184 17811 3956 1 4 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.803 0.124 17811 3957 1 4 . 1 1 177 177 ILE C C 177 177.123 177.123 177.045 0.078 17811 3958 1 4 . 1 1 177 177 ILE CA C 177 65.148 65.148 63.894 1.254 17811 3959 1 4 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.881 0.552 17811 3960 1 4 . 1 1 177 177 ILE H H 177 7.576 7.576 7.987 -0.411 17811 3961 1 4 . 1 1 178 178 ALA N N 178 118.887 118.887 122.840 -3.953 17811 3962 1 4 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.176 0.845 17811 3963 1 4 . 1 1 178 178 ALA C C 178 179.901 179.901 178.765 1.136 17811 3964 1 4 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.506 0.162 17811 3965 1 4 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.244 1.380 17811 3966 1 4 . 1 1 178 178 ALA H H 178 8.237 8.237 7.959 0.278 17811 3967 1 4 . 1 1 179 179 GLN N N 179 112.225 112.225 112.812 -0.587 17811 3968 1 4 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.488 -0.048 17811 3969 1 4 . 1 1 179 179 GLN C C 179 177.254 177.254 176.252 1.002 17811 3970 1 4 . 1 1 179 179 GLN CA C 179 55.627 55.627 56.045 -0.418 17811 3971 1 4 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.327 -1.565 17811 3972 1 4 . 1 1 179 179 GLN H H 179 8.646 8.646 8.440 0.206 17811 3973 1 4 . 1 1 180 180 GLY N N 180 109.528 109.528 108.732 0.796 17811 3974 1 4 . 1 1 180 180 GLY C C 180 173.095 173.095 173.256 -0.161 17811 3975 1 4 . 1 1 180 180 GLY CA C 180 43.845 43.845 44.583 -0.738 17811 3976 1 4 . 1 1 180 180 GLY H H 180 7.811 7.811 8.312 -0.501 17811 3977 1 4 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.372 -0.660 17811 3978 1 4 . 1 1 181 181 LEU C C 181 177.257 177.257 177.962 -0.705 17811 3979 1 4 . 1 1 181 181 LEU CA C 181 59.463 59.463 57.138 2.325 17811 3980 1 4 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.630 -0.018 17811 3981 1 4 . 1 1 182 182 GLU N N 182 116.836 116.836 119.027 -2.191 17811 3982 1 4 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.231 -0.004 17811 3983 1 4 . 1 1 182 182 GLU C C 182 176.406 176.406 176.217 0.189 17811 3984 1 4 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.768 0.955 17811 3985 1 4 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.551 -0.831 17811 3986 1 4 . 1 1 182 182 GLU H H 182 8.909 8.909 8.734 0.175 17811 3987 1 4 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.199 0.038 17811 3988 1 4 . 1 1 183 183 PRO C C 183 179.992 179.992 178.050 1.942 17811 3989 1 4 . 1 1 183 183 PRO CA C 183 65.217 65.217 66.172 -0.955 17811 3990 1 4 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.079 0.094 17811 3991 1 4 . 1 1 184 184 ALA N N 184 118.151 118.151 118.824 -0.673 17811 3992 1 4 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.147 -0.312 17811 3993 1 4 . 1 1 184 184 ALA C C 184 179.526 179.526 180.069 -0.543 17811 3994 1 4 . 1 1 184 184 ALA CA C 184 55.490 55.490 55.072 0.418 17811 3995 1 4 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.291 -0.133 17811 3996 1 4 . 1 1 184 184 ALA H H 184 7.350 7.350 7.811 -0.461 17811 3997 1 4 . 1 1 185 185 GLN N N 185 118.148 118.148 117.792 0.356 17811 3998 1 4 . 1 1 185 185 GLN HA H 185 3.006 3.006 3.911 -0.905 17811 3999 1 4 . 1 1 185 185 GLN C C 185 177.555 177.555 178.490 -0.935 17811 4000 1 4 . 1 1 185 185 GLN CA C 185 58.983 58.983 59.193 -0.210 17811 4001 1 4 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.627 0.148 17811 4002 1 4 . 1 1 185 185 GLN H H 185 8.848 8.848 7.679 1.169 17811 4003 1 4 . 1 1 186 186 ASN N N 186 115.032 115.032 117.250 -2.218 17811 4004 1 4 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.325 -0.164 17811 4005 1 4 . 1 1 186 186 ASN C C 186 177.160 177.160 177.977 -0.817 17811 4006 1 4 . 1 1 186 186 ASN CA C 186 56.038 56.038 56.181 -0.144 17811 4007 1 4 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.632 -0.404 17811 4008 1 4 . 1 1 186 186 ASN H H 186 7.537 7.537 8.284 -0.747 17811 4009 1 4 . 1 1 187 187 THR N N 187 114.421 114.421 116.913 -2.492 17811 4010 1 4 . 1 1 187 187 THR HA H 187 3.864 3.864 4.065 -0.201 17811 4011 1 4 . 1 1 187 187 THR C C 187 174.739 174.739 177.319 -2.580 17811 4012 1 4 . 1 1 187 187 THR CA C 187 65.422 65.422 65.503 -0.081 17811 4013 1 4 . 1 1 187 187 THR CB C 187 69.532 69.532 68.896 0.636 17811 4014 1 4 . 1 1 187 187 THR H H 187 7.120 7.120 8.405 -1.285 17811 4015 1 4 . 1 1 188 188 VAL N N 188 119.580 119.580 120.068 -0.488 17811 4016 1 4 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.223 0.162 17811 4017 1 4 . 1 1 188 188 VAL C C 188 178.043 178.043 178.301 -0.258 17811 4018 1 4 . 1 1 188 188 VAL CA C 188 64.326 64.326 66.304 -1.978 17811 4019 1 4 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.169 0.689 17811 4020 1 4 . 1 1 188 188 VAL H H 188 8.333 8.333 7.927 0.406 17811 4021 1 4 . 1 1 189 189 HIS N N 189 115.949 115.949 117.767 -1.818 17811 4022 1 4 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.519 0.151 17811 4023 1 4 . 1 1 189 189 HIS C C 189 175.114 175.114 175.776 -0.662 17811 4024 1 4 . 1 1 189 189 HIS CA C 189 56.312 56.312 57.619 -1.307 17811 4025 1 4 . 1 1 189 189 HIS CB C 189 27.474 27.474 30.031 -2.557 17811 4026 1 4 . 1 1 189 189 HIS H H 189 8.674 8.674 7.955 0.719 17811 4027 1 4 . 1 1 190 190 ALA N N 190 120.346 120.346 119.763 0.583 17811 4028 1 4 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.442 0.142 17811 4029 1 4 . 1 1 190 190 ALA C C 190 177.906 177.906 175.969 1.937 17811 4030 1 4 . 1 1 190 190 ALA CA C 190 51.791 51.791 51.427 0.364 17811 4031 1 4 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.336 0.329 17811 4032 1 4 . 1 1 190 190 ALA H H 190 6.983 6.983 7.898 -0.915 17811 4033 1 5 . 1 1 2 2 ALA N N 2 125.183 125.183 128.179 -2.996 17811 4034 1 5 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.795 -0.618 17811 4035 1 5 . 1 1 2 2 ALA C C 2 174.029 174.029 176.491 -2.462 17811 4036 1 5 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.804 0.055 17811 4037 1 5 . 1 1 2 2 ALA CB C 2 19.596 19.596 20.234 -0.638 17811 4038 1 5 . 1 1 2 2 ALA H H 2 8.096 8.096 8.457 -0.361 17811 4039 1 5 . 1 1 3 3 GLU N N 3 113.075 113.075 123.319 -10.244 17811 4040 1 5 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.679 -0.480 17811 4041 1 5 . 1 1 3 3 GLU C C 3 175.812 175.812 174.588 1.224 17811 4042 1 5 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.191 0.312 17811 4043 1 5 . 1 1 3 3 GLU CB C 3 31.584 31.584 30.741 0.843 17811 4044 1 5 . 1 1 3 3 GLU H H 3 7.483 7.483 8.409 -0.926 17811 4045 1 5 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.760 0.015 17811 4046 1 5 . 1 1 4 4 PRO C C 4 174.213 174.213 175.788 -1.575 17811 4047 1 5 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.089 0.182 17811 4048 1 5 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.478 3.051 17811 4049 1 5 . 1 1 5 5 LEU N N 5 120.181 120.181 122.658 -2.477 17811 4050 1 5 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.667 -0.367 17811 4051 1 5 . 1 1 5 5 LEU C C 5 174.926 174.926 175.140 -0.214 17811 4052 1 5 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.902 0.286 17811 4053 1 5 . 1 1 5 5 LEU CB C 5 45.694 45.694 43.126 2.568 17811 4054 1 5 . 1 1 5 5 LEU H H 5 7.953 7.953 8.843 -0.890 17811 4055 1 5 . 1 1 6 6 LEU N N 6 124.663 124.663 122.198 2.465 17811 4056 1 5 . 1 1 6 6 LEU HA H 6 5.287 5.287 5.078 0.209 17811 4057 1 5 . 1 1 6 6 LEU C C 6 173.293 173.293 174.947 -1.654 17811 4058 1 5 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.406 -0.519 17811 4059 1 5 . 1 1 6 6 LEU CB C 6 45.694 45.694 44.941 0.753 17811 4060 1 5 . 1 1 6 6 LEU H H 6 8.456 8.456 8.474 -0.018 17811 4061 1 5 . 1 1 7 7 VAL N N 7 128.364 128.364 128.001 0.363 17811 4062 1 5 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.653 0.346 17811 4063 1 5 . 1 1 7 7 VAL C C 7 174.006 174.006 174.587 -0.581 17811 4064 1 5 . 1 1 7 7 VAL CA C 7 60.353 60.353 60.766 -0.413 17811 4065 1 5 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.286 0.412 17811 4066 1 5 . 1 1 7 7 VAL H H 7 9.456 9.456 9.150 0.306 17811 4067 1 5 . 1 1 8 8 VAL N N 8 126.000 126.000 127.982 -1.982 17811 4068 1 5 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.808 0.246 17811 4069 1 5 . 1 1 8 8 VAL C C 8 175.433 175.433 175.118 0.315 17811 4070 1 5 . 1 1 8 8 VAL CA C 8 59.737 59.737 60.476 -0.739 17811 4071 1 5 . 1 1 8 8 VAL CB C 8 35.556 35.556 33.612 1.944 17811 4072 1 5 . 1 1 8 8 VAL H H 8 9.571 9.571 9.198 0.373 17811 4073 1 5 . 1 1 9 9 GLY N N 9 112.757 112.757 114.367 -1.610 17811 4074 1 5 . 1 1 9 9 GLY C C 9 171.378 171.378 172.899 -1.521 17811 4075 1 5 . 1 1 9 9 GLY CA C 9 44.804 44.804 42.696 2.108 17811 4076 1 5 . 1 1 9 9 GLY H H 9 8.692 8.692 8.184 0.508 17811 4077 1 5 . 1 1 10 10 LEU N N 10 119.466 119.466 122.802 -3.336 17811 4078 1 5 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.241 0.492 17811 4079 1 5 . 1 1 10 10 LEU C C 10 175.715 175.715 177.259 -1.544 17811 4080 1 5 . 1 1 10 10 LEU CA C 10 54.188 54.188 55.233 -1.045 17811 4081 1 5 . 1 1 10 10 LEU CB C 10 42.543 42.543 41.724 0.819 17811 4082 1 5 . 1 1 10 10 LEU H H 10 7.147 7.147 8.320 -1.173 17811 4083 1 5 . 1 1 11 11 GLY N N 11 109.192 109.192 112.825 -3.633 17811 4084 1 5 . 1 1 11 11 GLY C C 11 170.233 170.233 172.874 -2.641 17811 4085 1 5 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.383 0.010 17811 4086 1 5 . 1 1 11 11 GLY H H 11 7.281 7.281 8.113 -0.832 17811 4087 1 5 . 1 1 12 12 ASN N N 12 115.701 115.701 116.937 -1.236 17811 4088 1 5 . 1 1 12 12 ASN HA H 12 4.762 4.762 4.996 -0.234 17811 4089 1 5 . 1 1 12 12 ASN C C 12 173.746 173.746 174.850 -1.104 17811 4090 1 5 . 1 1 12 12 ASN CA C 12 49.941 49.941 49.848 0.093 17811 4091 1 5 . 1 1 12 12 ASN CB C 12 41.516 41.516 39.409 2.107 17811 4092 1 5 . 1 1 12 12 ASN H H 12 8.946 8.946 7.889 1.057 17811 4093 1 5 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.490 -0.075 17811 4094 1 5 . 1 1 13 13 PRO C C 13 177.498 177.498 176.419 1.079 17811 4095 1 5 . 1 1 13 13 PRO CA C 13 62.254 62.254 63.003 -0.749 17811 4096 1 5 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.300 -0.374 17811 4097 1 5 . 1 1 14 14 GLY N N 14 108.978 108.978 104.730 4.248 17811 4098 1 5 . 1 1 14 14 GLY C C 14 174.878 174.878 171.360 3.518 17811 4099 1 5 . 1 1 14 14 GLY CA C 14 47.133 47.133 43.691 3.442 17811 4100 1 5 . 1 1 14 14 GLY H H 14 8.464 8.464 7.401 1.063 17811 4101 1 5 . 1 1 16 16 THR HA H 16 4.265 4.265 3.911 0.354 17811 4102 1 5 . 1 1 16 16 THR C C 16 175.848 175.848 175.936 -0.088 17811 4103 1 5 . 1 1 16 16 THR CA C 16 65.148 65.148 65.780 -0.632 17811 4104 1 5 . 1 1 16 16 THR CB C 16 68.505 68.505 67.322 1.183 17811 4105 1 5 . 1 1 17 17 TYR N N 17 117.133 117.133 118.615 -1.482 17811 4106 1 5 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.947 -0.291 17811 4107 1 5 . 1 1 17 17 TYR C C 17 177.649 177.649 176.378 1.271 17811 4108 1 5 . 1 1 17 17 TYR CA C 17 58.367 58.367 57.051 1.315 17811 4109 1 5 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.220 2.104 17811 4110 1 5 . 1 1 17 17 TYR H H 17 7.025 7.025 7.799 -0.774 17811 4111 1 5 . 1 1 18 18 ALA N N 18 122.126 122.126 121.942 0.184 17811 4112 1 5 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.324 0.030 17811 4113 1 5 . 1 1 18 18 ALA C C 18 178.212 178.212 177.922 0.290 17811 4114 1 5 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.498 2.129 17811 4115 1 5 . 1 1 18 18 ALA CB C 18 19.939 19.939 17.843 2.096 17811 4116 1 5 . 1 1 18 18 ALA H H 18 7.100 7.100 7.586 -0.486 17811 4117 1 5 . 1 1 19 19 LYS N N 19 115.311 115.311 118.082 -2.771 17811 4118 1 5 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.549 0.134 17811 4119 1 5 . 1 1 19 19 LYS C C 19 175.640 175.640 176.106 -0.466 17811 4120 1 5 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.502 -0.560 17811 4121 1 5 . 1 1 19 19 LYS CB C 19 32.063 32.063 31.859 0.204 17811 4122 1 5 . 1 1 19 19 LYS H H 19 8.648 8.648 7.855 0.793 17811 4123 1 5 . 1 1 20 20 THR N N 20 108.478 108.478 109.477 -0.999 17811 4124 1 5 . 1 1 20 20 THR HA H 20 4.392 4.392 4.758 -0.366 17811 4125 1 5 . 1 1 20 20 THR C C 20 175.752 175.752 175.710 0.042 17811 4126 1 5 . 1 1 20 20 THR CA C 20 60.970 60.970 59.272 1.698 17811 4127 1 5 . 1 1 20 20 THR CB C 20 72.932 72.932 71.779 1.153 17811 4128 1 5 . 1 1 20 20 THR H H 20 7.349 7.349 7.693 -0.344 17811 4129 1 5 . 1 1 21 21 ARG N N 21 117.638 117.638 119.273 -1.635 17811 4130 1 5 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.298 -0.593 17811 4131 1 5 . 1 1 21 21 ARG C C 21 177.480 177.480 176.489 0.991 17811 4132 1 5 . 1 1 21 21 ARG CA C 21 60.083 60.083 57.499 2.584 17811 4133 1 5 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.478 0.479 17811 4134 1 5 . 1 1 21 21 ARG H H 21 7.011 7.011 8.736 -1.725 17811 4135 1 5 . 1 1 22 22 HIS N N 22 115.074 115.074 118.315 -3.241 17811 4136 1 5 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.849 -0.988 17811 4137 1 5 . 1 1 22 22 HIS C C 22 173.274 173.274 176.023 -2.749 17811 4138 1 5 . 1 1 22 22 HIS CA C 22 53.434 53.434 58.676 -5.242 17811 4139 1 5 . 1 1 22 22 HIS CB C 22 29.460 29.460 30.736 -1.276 17811 4140 1 5 . 1 1 22 22 HIS H H 22 8.162 8.162 7.490 0.672 17811 4141 1 5 . 1 1 23 23 ASN N N 23 116.439 116.439 117.020 -0.581 17811 4142 1 5 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.896 -0.111 17811 4143 1 5 . 1 1 23 23 ASN C C 23 177.104 177.104 176.011 1.093 17811 4144 1 5 . 1 1 23 23 ASN CA C 23 53.024 53.024 53.329 -0.305 17811 4145 1 5 . 1 1 23 23 ASN CB C 23 38.776 38.776 37.785 0.991 17811 4146 1 5 . 1 1 23 23 ASN H H 23 7.730 7.730 8.030 -0.300 17811 4147 1 5 . 1 1 24 24 LEU N N 24 123.226 123.226 117.151 6.075 17811 4148 1 5 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.437 -0.091 17811 4149 1 5 . 1 1 24 24 LEU C C 24 178.681 178.681 177.990 0.691 17811 4150 1 5 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.376 2.155 17811 4151 1 5 . 1 1 24 24 LEU CB C 24 43.982 43.982 41.155 2.827 17811 4152 1 5 . 1 1 24 24 LEU H H 24 7.939 7.939 7.198 0.741 17811 4153 1 5 . 1 1 25 25 GLY N N 25 104.146 104.146 108.690 -4.544 17811 4154 1 5 . 1 1 25 25 GLY C C 25 176.635 176.635 175.657 0.978 17811 4155 1 5 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.167 1.473 17811 4156 1 5 . 1 1 25 25 GLY H H 25 9.209 9.209 8.077 1.132 17811 4157 1 5 . 1 1 26 26 PHE N N 26 123.654 123.654 122.667 0.987 17811 4158 1 5 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.040 0.080 17811 4159 1 5 . 1 1 26 26 PHE C C 26 177.498 177.498 176.504 0.994 17811 4160 1 5 . 1 1 26 26 PHE CA C 26 58.778 58.778 61.603 -2.825 17811 4161 1 5 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.437 -2.168 17811 4162 1 5 . 1 1 26 26 PHE H H 26 7.089 7.089 8.311 -1.222 17811 4163 1 5 . 1 1 27 27 MET N N 27 117.508 117.508 118.012 -0.504 17811 4164 1 5 . 1 1 27 27 MET HA H 27 4.257 4.257 4.355 -0.098 17811 4165 1 5 . 1 1 27 27 MET C C 27 179.977 179.977 178.574 1.403 17811 4166 1 5 . 1 1 27 27 MET CA C 27 59.839 59.839 57.102 2.737 17811 4167 1 5 . 1 1 27 27 MET CB C 27 33.377 33.377 31.816 1.561 17811 4168 1 5 . 1 1 27 27 MET H H 27 8.061 8.061 7.526 0.535 17811 4169 1 5 . 1 1 28 28 VAL N N 28 119.068 119.068 119.945 -0.877 17811 4170 1 5 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.617 0.005 17811 4171 1 5 . 1 1 28 28 VAL C C 28 177.818 177.818 177.529 0.289 17811 4172 1 5 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.841 -0.871 17811 4173 1 5 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.228 0.835 17811 4174 1 5 . 1 1 28 28 VAL H H 28 8.325 8.325 8.823 -0.498 17811 4175 1 5 . 1 1 29 29 ALA N N 29 123.327 123.327 120.689 2.638 17811 4176 1 5 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.952 0.076 17811 4177 1 5 . 1 1 29 29 ALA C C 29 178.831 178.831 178.582 0.249 17811 4178 1 5 . 1 1 29 29 ALA CA C 29 56.038 56.038 54.829 1.209 17811 4179 1 5 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.085 -0.612 17811 4180 1 5 . 1 1 29 29 ALA H H 29 8.647 8.647 7.631 1.016 17811 4181 1 5 . 1 1 30 30 ASP N N 30 118.148 118.148 118.390 -0.242 17811 4182 1 5 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.309 0.370 17811 4183 1 5 . 1 1 30 30 ASP C C 30 180.089 180.089 178.063 2.026 17811 4184 1 5 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.272 0.889 17811 4185 1 5 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.993 -1.327 17811 4186 1 5 . 1 1 30 30 ASP H H 30 8.574 8.574 7.211 1.363 17811 4187 1 5 . 1 1 31 31 VAL N N 31 123.410 123.410 118.101 5.309 17811 4188 1 5 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.900 -0.105 17811 4189 1 5 . 1 1 31 31 VAL C C 31 180.070 180.070 177.790 2.280 17811 4190 1 5 . 1 1 31 31 VAL CA C 31 66.724 66.724 66.045 0.679 17811 4191 1 5 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.360 0.224 17811 4192 1 5 . 1 1 31 31 VAL H H 31 7.482 7.482 7.864 -0.382 17811 4193 1 5 . 1 1 32 32 LEU N N 32 121.772 121.772 117.437 4.335 17811 4194 1 5 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.282 -0.416 17811 4195 1 5 . 1 1 32 32 LEU C C 32 178.249 178.249 178.344 -0.095 17811 4196 1 5 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.541 0.826 17811 4197 1 5 . 1 1 32 32 LEU CB C 32 42.269 42.269 39.889 2.380 17811 4198 1 5 . 1 1 32 32 LEU H H 32 8.785 8.785 7.617 1.168 17811 4199 1 5 . 1 1 33 33 ALA N N 33 122.901 122.901 122.894 0.007 17811 4200 1 5 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.099 -0.489 17811 4201 1 5 . 1 1 33 33 ALA C C 33 179.808 179.808 179.782 0.026 17811 4202 1 5 . 1 1 33 33 ALA CA C 33 55.832 55.832 55.226 0.606 17811 4203 1 5 . 1 1 33 33 ALA CB C 33 18.569 18.569 17.894 0.675 17811 4204 1 5 . 1 1 33 33 ALA H H 33 8.711 8.711 7.519 1.192 17811 4205 1 5 . 1 1 34 34 GLY N N 34 105.309 105.309 105.346 -0.037 17811 4206 1 5 . 1 1 34 34 GLY C C 34 176.184 176.184 175.975 0.209 17811 4207 1 5 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.444 0.346 17811 4208 1 5 . 1 1 34 34 GLY H H 34 7.665 7.665 7.900 -0.235 17811 4209 1 5 . 1 1 35 35 ARG N N 35 121.117 121.117 119.536 1.581 17811 4210 1 5 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.231 -0.116 17811 4211 1 5 . 1 1 35 35 ARG C C 35 178.812 178.812 177.861 0.951 17811 4212 1 5 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.432 1.962 17811 4213 1 5 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.731 -0.065 17811 4214 1 5 . 1 1 35 35 ARG H H 35 7.623 7.623 7.376 0.247 17811 4215 1 5 . 1 1 36 36 ILE N N 36 120.413 120.413 118.572 1.841 17811 4216 1 5 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.067 -0.345 17811 4217 1 5 . 1 1 36 36 ILE C C 36 177.142 177.142 176.248 0.894 17811 4218 1 5 . 1 1 36 36 ILE CA C 36 64.600 64.600 60.970 3.630 17811 4219 1 5 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.751 0.025 17811 4220 1 5 . 1 1 36 36 ILE H H 36 7.950 7.950 7.573 0.377 17811 4221 1 5 . 1 1 37 37 GLY N N 37 107.419 107.419 108.411 -0.992 17811 4222 1 5 . 1 1 37 37 GLY C C 37 174.307 174.307 173.570 0.737 17811 4223 1 5 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.764 0.656 17811 4224 1 5 . 1 1 37 37 GLY H H 37 8.305 8.305 7.628 0.677 17811 4225 1 5 . 1 1 38 38 SER N N 38 113.320 113.320 116.288 -2.968 17811 4226 1 5 . 1 1 38 38 SER HA H 38 4.683 4.683 4.714 -0.031 17811 4227 1 5 . 1 1 38 38 SER C C 38 171.472 171.472 173.364 -1.892 17811 4228 1 5 . 1 1 38 38 SER CA C 38 56.654 56.654 57.031 -0.376 17811 4229 1 5 . 1 1 38 38 SER CB C 38 66.244 66.244 64.033 2.211 17811 4230 1 5 . 1 1 38 38 SER H H 38 7.101 7.101 8.477 -1.376 17811 4231 1 5 . 1 1 39 39 ALA N N 39 123.838 123.838 130.428 -6.590 17811 4232 1 5 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.664 -0.262 17811 4233 1 5 . 1 1 39 39 ALA C C 39 177.708 177.708 175.863 1.845 17811 4234 1 5 . 1 1 39 39 ALA CA C 39 50.695 50.695 51.014 -0.320 17811 4235 1 5 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.735 -0.111 17811 4236 1 5 . 1 1 39 39 ALA H H 39 8.032 8.032 8.322 -0.290 17811 4237 1 5 . 1 1 40 40 PHE N N 40 118.117 118.117 119.827 -1.710 17811 4238 1 5 . 1 1 40 40 PHE HA H 40 4.039 4.039 4.957 -0.918 17811 4239 1 5 . 1 1 40 40 PHE C C 40 176.672 176.672 174.677 1.995 17811 4240 1 5 . 1 1 40 40 PHE CA C 40 59.942 59.942 55.969 3.973 17811 4241 1 5 . 1 1 40 40 PHE CB C 40 40.694 40.694 40.374 0.320 17811 4242 1 5 . 1 1 40 40 PHE H H 40 8.066 8.066 8.161 -0.095 17811 4243 1 5 . 1 1 41 41 LYS N N 41 120.915 120.915 122.320 -1.405 17811 4244 1 5 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.726 0.036 17811 4245 1 5 . 1 1 41 41 LYS C C 41 176.034 176.034 174.896 1.138 17811 4246 1 5 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.087 0.649 17811 4247 1 5 . 1 1 41 41 LYS CB C 41 36.310 36.310 37.159 -0.849 17811 4248 1 5 . 1 1 41 41 LYS H H 41 8.593 8.593 8.382 0.211 17811 4249 1 5 . 1 1 42 42 VAL N N 42 123.504 123.504 121.897 1.607 17811 4250 1 5 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.288 -0.456 17811 4251 1 5 . 1 1 42 42 VAL C C 42 175.377 175.377 175.797 -0.420 17811 4252 1 5 . 1 1 42 42 VAL CA C 42 64.874 64.874 62.296 2.578 17811 4253 1 5 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.473 0.454 17811 4254 1 5 . 1 1 42 42 VAL H H 42 8.707 8.707 8.520 0.187 17811 4255 1 5 . 1 1 43 43 HIS N N 43 132.195 132.195 129.361 2.834 17811 4256 1 5 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.525 -0.000 17811 4257 1 5 . 1 1 43 43 HIS C C 43 175.104 175.104 174.271 0.833 17811 4258 1 5 . 1 1 43 43 HIS CA C 43 56.106 56.106 55.001 1.105 17811 4259 1 5 . 1 1 43 43 HIS CB C 43 31.721 31.721 29.473 2.248 17811 4260 1 5 . 1 1 43 43 HIS H H 43 9.354 9.354 8.305 1.049 17811 4261 1 5 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.100 -0.160 17811 4262 1 5 . 1 1 45 45 LYS C C 45 177.001 177.001 176.153 0.848 17811 4263 1 5 . 1 1 45 45 LYS CA C 45 58.367 58.367 56.981 1.385 17811 4264 1 5 . 1 1 45 45 LYS CB C 45 32.200 32.200 32.487 -0.287 17811 4265 1 5 . 1 1 46 46 SER N N 46 111.577 111.577 116.012 -4.435 17811 4266 1 5 . 1 1 46 46 SER HA H 46 4.414 4.414 4.766 -0.352 17811 4267 1 5 . 1 1 46 46 SER C C 46 174.926 174.926 175.814 -0.888 17811 4268 1 5 . 1 1 46 46 SER CA C 46 60.011 60.011 57.857 2.154 17811 4269 1 5 . 1 1 46 46 SER CB C 46 65.354 65.354 63.530 1.824 17811 4270 1 5 . 1 1 46 46 SER H H 46 7.746 7.746 7.745 0.001 17811 4271 1 5 . 1 1 47 47 GLY N N 47 112.402 112.402 110.631 1.771 17811 4272 1 5 . 1 1 47 47 GLY C C 47 173.180 173.180 173.899 -0.719 17811 4273 1 5 . 1 1 47 47 GLY CA C 47 45.215 45.215 45.179 0.036 17811 4274 1 5 . 1 1 47 47 GLY H H 47 8.692 8.692 8.307 0.385 17811 4275 1 5 . 1 1 48 48 ALA N N 48 120.322 120.322 122.809 -2.487 17811 4276 1 5 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.505 -0.089 17811 4277 1 5 . 1 1 48 48 ALA C C 48 175.621 175.621 176.490 -0.869 17811 4278 1 5 . 1 1 48 48 ALA CA C 48 51.585 51.585 50.977 0.608 17811 4279 1 5 . 1 1 48 48 ALA CB C 48 19.802 19.802 21.051 -1.249 17811 4280 1 5 . 1 1 48 48 ALA H H 48 7.740 7.740 8.115 -0.375 17811 4281 1 5 . 1 1 49 49 GLU N N 49 116.907 116.907 119.904 -2.997 17811 4282 1 5 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.991 -0.065 17811 4283 1 5 . 1 1 49 49 GLU C C 49 176.184 176.184 176.072 0.112 17811 4284 1 5 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.581 -1.023 17811 4285 1 5 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.162 1.696 17811 4286 1 5 . 1 1 49 49 GLU H H 49 8.262 8.262 8.209 0.053 17811 4287 1 5 . 1 1 50 50 VAL N N 50 117.403 117.403 120.309 -2.906 17811 4288 1 5 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.534 0.306 17811 4289 1 5 . 1 1 50 50 VAL C C 50 176.053 176.053 173.758 2.295 17811 4290 1 5 . 1 1 50 50 VAL CA C 50 60.011 60.011 59.208 0.803 17811 4291 1 5 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.785 2.306 17811 4292 1 5 . 1 1 50 50 VAL H H 50 9.223 9.223 9.216 0.007 17811 4293 1 5 . 1 1 51 51 VAL N N 51 125.278 125.278 122.444 2.834 17811 4294 1 5 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.589 -0.438 17811 4295 1 5 . 1 1 51 51 VAL C C 51 173.706 173.706 174.179 -0.473 17811 4296 1 5 . 1 1 51 51 VAL CA C 51 61.449 61.449 59.796 1.653 17811 4297 1 5 . 1 1 51 51 VAL CB C 51 35.899 35.899 35.055 0.844 17811 4298 1 5 . 1 1 51 51 VAL H H 51 9.266 9.266 8.001 1.265 17811 4299 1 5 . 1 1 52 52 THR N N 52 115.674 115.674 120.578 -4.904 17811 4300 1 5 . 1 1 52 52 THR HA H 52 5.168 5.168 5.096 0.072 17811 4301 1 5 . 1 1 52 52 THR C C 52 173.669 173.669 174.490 -0.821 17811 4302 1 5 . 1 1 52 52 THR CA C 52 58.709 58.709 60.215 -1.506 17811 4303 1 5 . 1 1 52 52 THR CB C 52 70.628 70.628 70.243 0.385 17811 4304 1 5 . 1 1 52 52 THR H H 52 8.243 8.243 8.312 -0.069 17811 4305 1 5 . 1 1 53 53 GLY N N 53 108.122 108.122 112.810 -4.688 17811 4306 1 5 . 1 1 53 53 GLY C C 53 170.721 170.721 171.927 -1.206 17811 4307 1 5 . 1 1 53 53 GLY CA C 53 45.489 45.489 45.547 -0.058 17811 4308 1 5 . 1 1 53 53 GLY H H 53 7.908 7.908 8.350 -0.442 17811 4309 1 5 . 1 1 54 54 ARG N N 54 120.750 120.750 119.750 1.000 17811 4310 1 5 . 1 1 54 54 ARG HA H 54 5.105 5.105 4.896 0.209 17811 4311 1 5 . 1 1 54 54 ARG C C 54 175.095 175.095 175.795 -0.700 17811 4312 1 5 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.674 -0.664 17811 4313 1 5 . 1 1 54 54 ARG CB C 54 32.474 32.474 31.867 0.607 17811 4314 1 5 . 1 1 54 54 ARG H H 54 8.379 8.379 8.428 -0.049 17811 4315 1 5 . 1 1 55 55 LEU N N 55 123.787 123.787 125.180 -1.393 17811 4316 1 5 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.481 -0.054 17811 4317 1 5 . 1 1 55 55 LEU C C 55 175.058 175.058 177.081 -2.023 17811 4318 1 5 . 1 1 55 55 LEU CA C 55 53.572 53.572 54.293 -0.721 17811 4319 1 5 . 1 1 55 55 LEU CB C 55 45.968 45.968 42.667 3.300 17811 4320 1 5 . 1 1 55 55 LEU H H 55 8.777 8.777 8.204 0.573 17811 4321 1 5 . 1 1 56 56 ALA N N 56 127.548 127.548 125.054 2.494 17811 4322 1 5 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.968 -0.038 17811 4323 1 5 . 1 1 56 56 ALA C C 56 177.855 177.855 177.388 0.467 17811 4324 1 5 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.067 0.025 17811 4325 1 5 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.999 -0.389 17811 4326 1 5 . 1 1 56 56 ALA H H 56 9.275 9.275 9.151 0.124 17811 4327 1 5 . 1 1 57 57 GLY N N 57 103.215 103.215 104.441 -1.226 17811 4328 1 5 . 1 1 57 57 GLY C C 57 174.157 174.157 174.642 -0.485 17811 4329 1 5 . 1 1 57 57 GLY CA C 57 45.694 45.694 44.965 0.729 17811 4330 1 5 . 1 1 57 57 GLY H H 57 8.507 8.507 8.051 0.456 17811 4331 1 5 . 1 1 58 58 THR N N 58 119.802 119.802 120.202 -0.400 17811 4332 1 5 . 1 1 58 58 THR HA H 58 4.411 4.411 4.448 -0.037 17811 4333 1 5 . 1 1 58 58 THR C C 58 172.711 172.711 174.263 -1.552 17811 4334 1 5 . 1 1 58 58 THR CA C 58 62.134 62.134 62.066 0.068 17811 4335 1 5 . 1 1 58 58 THR CB C 58 71.313 71.313 69.619 1.694 17811 4336 1 5 . 1 1 58 58 THR H H 58 8.017 8.017 7.678 0.339 17811 4337 1 5 . 1 1 59 59 SER N N 59 122.901 122.901 121.955 0.946 17811 4338 1 5 . 1 1 59 59 SER HA H 59 4.492 4.492 4.693 -0.201 17811 4339 1 5 . 1 1 59 59 SER C C 59 173.537 173.537 173.972 -0.435 17811 4340 1 5 . 1 1 59 59 SER CA C 59 59.600 59.600 59.155 0.445 17811 4341 1 5 . 1 1 59 59 SER CB C 59 63.367 63.367 63.188 0.179 17811 4342 1 5 . 1 1 59 59 SER H H 59 9.013 9.013 8.465 0.548 17811 4343 1 5 . 1 1 60 60 VAL N N 60 119.354 119.354 120.547 -1.193 17811 4344 1 5 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.910 0.150 17811 4345 1 5 . 1 1 60 60 VAL C C 60 174.926 174.926 173.950 0.976 17811 4346 1 5 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.830 -0.504 17811 4347 1 5 . 1 1 60 60 VAL CB C 60 36.378 36.378 34.345 2.033 17811 4348 1 5 . 1 1 60 60 VAL H H 60 8.836 8.836 9.075 -0.239 17811 4349 1 5 . 1 1 61 61 VAL N N 61 124.480 124.480 126.062 -1.582 17811 4350 1 5 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.624 -0.459 17811 4351 1 5 . 1 1 61 61 VAL C C 61 173.218 173.218 174.276 -1.058 17811 4352 1 5 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.798 1.131 17811 4353 1 5 . 1 1 61 61 VAL CB C 61 32.474 32.474 33.310 -0.836 17811 4354 1 5 . 1 1 61 61 VAL H H 61 8.507 8.507 8.874 -0.367 17811 4355 1 5 . 1 1 62 62 LEU N N 62 129.499 129.499 129.625 -0.126 17811 4356 1 5 . 1 1 62 62 LEU HA H 62 5.472 5.472 5.046 0.426 17811 4357 1 5 . 1 1 62 62 LEU C C 62 175.095 175.095 174.599 0.496 17811 4358 1 5 . 1 1 62 62 LEU CA C 62 52.750 52.750 52.724 0.026 17811 4359 1 5 . 1 1 62 62 LEU CB C 62 44.872 44.872 43.521 1.351 17811 4360 1 5 . 1 1 62 62 LEU H H 62 9.202 9.202 8.042 1.160 17811 4361 1 5 . 1 1 63 63 ALA N N 63 126.661 126.661 130.111 -3.450 17811 4362 1 5 . 1 1 63 63 ALA HA H 63 5.872 5.872 4.754 1.118 17811 4363 1 5 . 1 1 63 63 ALA C C 63 175.583 175.583 175.485 0.098 17811 4364 1 5 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.398 -0.114 17811 4365 1 5 . 1 1 63 63 ALA CB C 63 25.556 25.556 21.332 4.224 17811 4366 1 5 . 1 1 63 63 ALA H H 63 9.567 9.567 9.170 0.397 17811 4367 1 5 . 1 1 64 64 LYS N N 64 117.967 117.967 124.688 -6.721 17811 4368 1 5 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.138 -0.138 17811 4369 1 5 . 1 1 64 64 LYS C C 64 174.057 174.057 174.086 -0.029 17811 4370 1 5 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.866 0.432 17811 4371 1 5 . 1 1 64 64 LYS CB C 64 34.734 34.734 34.172 0.562 17811 4372 1 5 . 1 1 64 64 LYS H H 64 8.422 8.422 8.624 -0.202 17811 4373 1 5 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.557 -0.023 17811 4374 1 5 . 1 1 65 65 PRO C C 65 174.946 174.946 176.926 -1.980 17811 4375 1 5 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.683 -0.001 17811 4376 1 5 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.834 -0.086 17811 4377 1 5 . 1 1 66 66 ARG N N 66 121.057 121.057 119.421 1.636 17811 4378 1 5 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.477 0.040 17811 4379 1 5 . 1 1 66 66 ARG C C 66 175.264 175.264 175.371 -0.107 17811 4380 1 5 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.446 -1.504 17811 4381 1 5 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.939 0.302 17811 4382 1 5 . 1 1 66 66 ARG H H 66 9.377 9.377 8.555 0.822 17811 4383 1 5 . 1 1 67 67 CYS N N 67 115.093 115.093 116.568 -1.475 17811 4384 1 5 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.542 0.164 17811 4385 1 5 . 1 1 67 67 CYS C C 67 172.092 172.092 174.846 -2.754 17811 4386 1 5 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.135 -2.810 17811 4387 1 5 . 1 1 67 67 CYS CB C 67 30.899 30.899 29.359 1.540 17811 4388 1 5 . 1 1 67 67 CYS H H 67 7.303 7.303 7.626 -0.323 17811 4389 1 5 . 1 1 68 68 TYR N N 68 115.888 115.888 119.850 -3.962 17811 4390 1 5 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.451 -0.031 17811 4391 1 5 . 1 1 68 68 TYR C C 68 178.080 178.080 178.191 -0.111 17811 4392 1 5 . 1 1 68 68 TYR CA C 68 59.874 59.874 58.697 1.177 17811 4393 1 5 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.919 -0.554 17811 4394 1 5 . 1 1 68 68 TYR H H 68 8.201 8.201 9.152 -0.951 17811 4395 1 5 . 1 1 69 69 MET N N 69 119.802 119.802 117.977 1.825 17811 4396 1 5 . 1 1 69 69 MET HA H 69 4.137 4.137 4.383 -0.246 17811 4397 1 5 . 1 1 69 69 MET C C 69 175.076 175.076 177.232 -2.156 17811 4398 1 5 . 1 1 69 69 MET CA C 69 58.641 58.641 57.584 1.057 17811 4399 1 5 . 1 1 69 69 MET CB C 69 33.090 33.090 31.515 1.575 17811 4400 1 5 . 1 1 69 69 MET H H 69 8.367 8.367 8.752 -0.385 17811 4401 1 5 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.662 -0.367 17811 4402 1 5 . 1 1 70 70 ASN C C 70 175.274 175.274 175.815 -0.541 17811 4403 1 5 . 1 1 70 70 ASN CA C 70 55.284 55.284 54.659 0.625 17811 4404 1 5 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.808 -1.334 17811 4405 1 5 . 1 1 71 71 GLU N N 71 117.111 117.111 118.156 -1.045 17811 4406 1 5 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.417 0.337 17811 4407 1 5 . 1 1 71 71 GLU C C 71 176.823 176.823 178.345 -1.522 17811 4408 1 5 . 1 1 71 71 GLU CA C 71 55.421 55.421 57.748 -2.327 17811 4409 1 5 . 1 1 71 71 GLU CB C 71 31.036 31.036 30.648 0.387 17811 4410 1 5 . 1 1 71 71 GLU H H 71 8.007 8.007 7.935 0.072 17811 4411 1 5 . 1 1 72 72 SER N N 72 115.827 115.827 115.760 0.067 17811 4412 1 5 . 1 1 72 72 SER HA H 72 4.726 4.726 4.201 0.525 17811 4413 1 5 . 1 1 72 72 SER C C 72 177.029 177.029 176.963 0.066 17811 4414 1 5 . 1 1 72 72 SER CA C 72 63.778 63.778 61.988 1.790 17811 4415 1 5 . 1 1 72 72 SER CB C 72 63.890 63.890 62.767 1.123 17811 4416 1 5 . 1 1 72 72 SER H H 72 7.703 7.703 8.834 -1.131 17811 4417 1 5 . 1 1 73 73 GLY N N 73 109.887 109.887 108.875 1.012 17811 4418 1 5 . 1 1 73 73 GLY C C 73 173.988 173.988 175.894 -1.906 17811 4419 1 5 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.653 1.782 17811 4420 1 5 . 1 1 73 73 GLY H H 73 9.527 9.527 8.237 1.290 17811 4421 1 5 . 1 1 74 74 ARG N N 74 119.068 119.068 119.606 -0.538 17811 4422 1 5 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.254 -0.075 17811 4423 1 5 . 1 1 74 74 ARG C C 74 176.973 176.973 179.151 -2.178 17811 4424 1 5 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.450 0.574 17811 4425 1 5 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.475 0.191 17811 4426 1 5 . 1 1 74 74 ARG H H 74 8.207 8.207 7.707 0.500 17811 4427 1 5 . 1 1 75 75 GLN N N 75 113.474 113.474 118.947 -5.473 17811 4428 1 5 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.201 0.422 17811 4429 1 5 . 1 1 75 75 GLN C C 75 175.840 175.840 177.845 -2.005 17811 4430 1 5 . 1 1 75 75 GLN CA C 75 57.613 57.613 57.925 -0.312 17811 4431 1 5 . 1 1 75 75 GLN CB C 75 29.597 29.597 28.104 1.493 17811 4432 1 5 . 1 1 75 75 GLN H H 75 7.260 7.260 7.684 -0.424 17811 4433 1 5 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.826 -0.396 17811 4434 1 5 . 1 1 76 76 VAL C C 76 176.463 176.463 177.806 -1.343 17811 4435 1 5 . 1 1 76 76 VAL CA C 76 66.998 66.998 65.766 1.232 17811 4436 1 5 . 1 1 76 76 VAL CB C 76 32.474 32.474 30.640 1.834 17811 4437 1 5 . 1 1 77 77 GLY N N 77 104.918 104.918 108.762 -3.844 17811 4438 1 5 . 1 1 77 77 GLY C C 77 175.472 175.472 173.627 1.845 17811 4439 1 5 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.435 -0.206 17811 4440 1 5 . 1 1 77 77 GLY H H 77 8.541 8.541 7.784 0.757 17811 4441 1 5 . 1 1 78 78 PRO HA H 78 4.217 4.217 3.995 0.222 17811 4442 1 5 . 1 1 78 78 PRO C C 78 179.208 179.208 178.354 0.854 17811 4443 1 5 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.239 -0.091 17811 4444 1 5 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.305 0.963 17811 4445 1 5 . 1 1 79 79 LEU N N 79 119.649 119.649 119.950 -0.301 17811 4446 1 5 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.275 -0.321 17811 4447 1 5 . 1 1 79 79 LEU C C 79 177.367 177.367 178.905 -1.538 17811 4448 1 5 . 1 1 79 79 LEU CA C 79 58.504 58.504 58.032 0.472 17811 4449 1 5 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.159 1.727 17811 4450 1 5 . 1 1 79 79 LEU H H 79 7.466 7.466 7.681 -0.215 17811 4451 1 5 . 1 1 80 80 ALA N N 80 120.470 120.470 120.157 0.313 17811 4452 1 5 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.056 -0.168 17811 4453 1 5 . 1 1 80 80 ALA C C 80 179.939 179.939 179.587 0.352 17811 4454 1 5 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.220 0.270 17811 4455 1 5 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.324 -0.714 17811 4456 1 5 . 1 1 80 80 ALA H H 80 8.279 8.279 8.437 -0.158 17811 4457 1 5 . 1 1 81 81 LYS N N 81 116.408 116.408 118.031 -1.623 17811 4458 1 5 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.081 0.013 17811 4459 1 5 . 1 1 81 81 LYS C C 81 179.920 179.920 178.485 1.435 17811 4460 1 5 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.612 0.303 17811 4461 1 5 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.376 -0.039 17811 4462 1 5 . 1 1 81 81 LYS H H 81 7.798 7.798 7.313 0.485 17811 4463 1 5 . 1 1 82 82 PHE N N 82 121.199 121.199 118.049 3.150 17811 4464 1 5 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.183 -0.148 17811 4465 1 5 . 1 1 82 82 PHE C C 82 177.254 177.254 177.388 -0.134 17811 4466 1 5 . 1 1 82 82 PHE CA C 82 61.449 61.449 61.144 0.305 17811 4467 1 5 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.883 0.030 17811 4468 1 5 . 1 1 82 82 PHE H H 82 8.489 8.489 8.201 0.288 17811 4469 1 5 . 1 1 83 83 TYR N N 83 114.176 114.176 113.701 0.475 17811 4470 1 5 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.608 -0.204 17811 4471 1 5 . 1 1 83 83 TYR C C 83 173.368 173.368 175.470 -2.102 17811 4472 1 5 . 1 1 83 83 TYR CA C 83 59.600 59.600 58.384 1.216 17811 4473 1 5 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.918 0.132 17811 4474 1 5 . 1 1 83 83 TYR H H 83 7.634 7.634 7.590 0.044 17811 4475 1 5 . 1 1 84 84 SER N N 84 114.910 114.910 116.040 -1.130 17811 4476 1 5 . 1 1 84 84 SER HA H 84 4.020 4.020 4.267 -0.247 17811 4477 1 5 . 1 1 84 84 SER C C 84 173.518 173.518 173.897 -0.379 17811 4478 1 5 . 1 1 84 84 SER CA C 84 58.367 58.367 58.293 0.074 17811 4479 1 5 . 1 1 84 84 SER CB C 84 61.244 61.244 62.199 -0.955 17811 4480 1 5 . 1 1 84 84 SER H H 84 7.674 7.674 7.904 -0.230 17811 4481 1 5 . 1 1 85 85 VAL N N 85 120.291 120.291 118.720 1.571 17811 4482 1 5 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.702 -0.745 17811 4483 1 5 . 1 1 85 85 VAL C C 85 174.171 174.171 174.335 -0.164 17811 4484 1 5 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.639 0.687 17811 4485 1 5 . 1 1 85 85 VAL CB C 85 33.296 33.296 31.384 1.912 17811 4486 1 5 . 1 1 85 85 VAL H H 85 8.456 8.456 7.591 0.865 17811 4487 1 5 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.627 -0.271 17811 4488 1 5 . 1 1 89 89 GLN C C 89 179.299 179.299 174.150 5.149 17811 4489 1 5 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.489 1.343 17811 4490 1 5 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.943 -0.688 17811 4491 1 5 . 1 1 90 90 ILE N N 90 119.343 119.343 121.141 -1.798 17811 4492 1 5 . 1 1 90 90 ILE HA H 90 4.062 4.062 5.277 -1.215 17811 4493 1 5 . 1 1 90 90 ILE C C 90 175.020 175.020 173.625 1.395 17811 4494 1 5 . 1 1 90 90 ILE CA C 90 60.627 60.627 59.064 1.563 17811 4495 1 5 . 1 1 90 90 ILE CB C 90 38.365 38.365 40.448 -2.083 17811 4496 1 5 . 1 1 90 90 ILE H H 90 7.728 7.728 7.820 -0.092 17811 4497 1 5 . 1 1 91 91 VAL N N 91 127.979 127.979 123.965 4.014 17811 4498 1 5 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.783 -0.329 17811 4499 1 5 . 1 1 91 91 VAL C C 91 174.119 174.119 173.729 0.390 17811 4500 1 5 . 1 1 91 91 VAL CA C 91 60.490 60.490 60.169 0.321 17811 4501 1 5 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.960 -0.363 17811 4502 1 5 . 1 1 91 91 VAL H H 91 9.358 9.358 9.098 0.260 17811 4503 1 5 . 1 1 92 92 VAL N N 92 127.153 127.153 123.159 3.994 17811 4504 1 5 . 1 1 92 92 VAL HA H 92 4.155 4.155 5.403 -1.248 17811 4505 1 5 . 1 1 92 92 VAL C C 92 174.326 174.326 175.992 -1.666 17811 4506 1 5 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.378 0.729 17811 4507 1 5 . 1 1 92 92 VAL CB C 92 33.570 33.570 35.070 -1.500 17811 4508 1 5 . 1 1 92 92 VAL H H 92 9.268 9.268 8.523 0.745 17811 4509 1 5 . 1 1 93 93 ILE N N 93 128.894 128.894 127.723 1.171 17811 4510 1 5 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.177 0.823 17811 4511 1 5 . 1 1 93 93 ILE C C 93 174.945 174.945 175.533 -0.588 17811 4512 1 5 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.271 0.699 17811 4513 1 5 . 1 1 93 93 ILE CB C 93 39.461 39.461 36.660 2.801 17811 4514 1 5 . 1 1 93 93 ILE H H 93 9.198 9.198 8.640 0.558 17811 4515 1 5 . 1 1 94 94 HIS N N 94 121.624 121.624 124.834 -3.210 17811 4516 1 5 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.920 0.504 17811 4517 1 5 . 1 1 94 94 HIS C C 94 171.510 171.510 173.497 -1.987 17811 4518 1 5 . 1 1 94 94 HIS CA C 94 54.188 54.188 55.038 -0.850 17811 4519 1 5 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.365 -1.617 17811 4520 1 5 . 1 1 94 94 HIS H H 94 8.762 8.762 8.820 -0.058 17811 4521 1 5 . 1 1 95 95 ASP N N 95 115.353 115.353 122.748 -7.395 17811 4522 1 5 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.865 0.239 17811 4523 1 5 . 1 1 95 95 ASP C C 95 177.555 177.555 175.257 2.298 17811 4524 1 5 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.651 -0.834 17811 4525 1 5 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.377 0.687 17811 4526 1 5 . 1 1 95 95 ASP H H 95 10.045 10.045 8.798 1.247 17811 4527 1 5 . 1 1 96 96 GLU N N 96 125.562 125.562 124.445 1.117 17811 4528 1 5 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.709 0.525 17811 4529 1 5 . 1 1 96 96 GLU C C 96 175.245 175.245 176.503 -1.258 17811 4530 1 5 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.831 -0.232 17811 4531 1 5 . 1 1 96 96 GLU CB C 96 34.255 34.255 30.874 3.381 17811 4532 1 5 . 1 1 96 96 GLU H H 96 9.100 9.100 8.832 0.268 17811 4533 1 5 . 1 1 97 97 LEU N N 97 130.882 130.882 126.787 4.095 17811 4534 1 5 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.969 -0.461 17811 4535 1 5 . 1 1 97 97 LEU C C 97 177.911 177.911 177.788 0.123 17811 4536 1 5 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.171 0.757 17811 4537 1 5 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.953 1.687 17811 4538 1 5 . 1 1 97 97 LEU H H 97 8.774 8.774 8.775 -0.001 17811 4539 1 5 . 1 1 98 98 ASP N N 98 114.282 114.282 119.838 -5.556 17811 4540 1 5 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.442 0.023 17811 4541 1 5 . 1 1 98 98 ASP C C 98 175.339 175.339 175.896 -0.557 17811 4542 1 5 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.236 -0.267 17811 4543 1 5 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.459 -0.834 17811 4544 1 5 . 1 1 98 98 ASP H H 98 8.729 8.729 8.626 0.103 17811 4545 1 5 . 1 1 99 99 ILE N N 99 116.163 116.163 120.392 -4.229 17811 4546 1 5 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.226 -0.340 17811 4547 1 5 . 1 1 99 99 ILE C C 99 174.044 174.044 174.899 -0.855 17811 4548 1 5 . 1 1 99 99 ILE CA C 99 59.394 59.394 60.272 -0.878 17811 4549 1 5 . 1 1 99 99 ILE CB C 99 40.968 40.968 39.775 1.193 17811 4550 1 5 . 1 1 99 99 ILE H H 99 7.149 7.149 7.574 -0.425 17811 4551 1 5 . 1 1 100 100 ASP N N 100 122.370 122.370 127.864 -5.494 17811 4552 1 5 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.543 -0.242 17811 4553 1 5 . 1 1 100 100 ASP C C 100 175.321 175.321 176.081 -0.760 17811 4554 1 5 . 1 1 100 100 ASP CA C 100 55.216 55.216 55.688 -0.472 17811 4555 1 5 . 1 1 100 100 ASP CB C 100 41.584 41.584 42.185 -0.601 17811 4556 1 5 . 1 1 100 100 ASP H H 100 8.109 8.109 8.745 -0.636 17811 4557 1 5 . 1 1 101 101 PHE N N 101 119.674 119.674 120.674 -1.000 17811 4558 1 5 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.714 -0.681 17811 4559 1 5 . 1 1 101 101 PHE C C 101 176.654 176.654 176.757 -0.103 17811 4560 1 5 . 1 1 101 101 PHE CA C 101 59.463 59.463 59.363 0.100 17811 4561 1 5 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.725 -0.401 17811 4562 1 5 . 1 1 101 101 PHE H H 101 8.598 8.598 8.513 0.085 17811 4563 1 5 . 1 1 102 102 GLY N N 102 116.800 116.800 114.561 2.239 17811 4564 1 5 . 1 1 102 102 GLY C C 102 172.749 172.749 172.865 -0.116 17811 4565 1 5 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.551 -0.336 17811 4566 1 5 . 1 1 102 102 GLY H H 102 8.550 8.550 7.768 0.782 17811 4567 1 5 . 1 1 103 103 ARG N N 103 118.304 118.304 120.178 -1.874 17811 4568 1 5 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.890 -0.352 17811 4569 1 5 . 1 1 103 103 ARG C C 103 175.114 175.114 174.053 1.061 17811 4570 1 5 . 1 1 103 103 ARG CA C 103 54.736 54.736 53.900 0.836 17811 4571 1 5 . 1 1 103 103 ARG CB C 103 31.310 31.310 33.368 -2.058 17811 4572 1 5 . 1 1 103 103 ARG H H 103 7.730 7.730 7.928 -0.198 17811 4573 1 5 . 1 1 104 104 ILE N N 104 122.440 122.440 116.499 5.941 17811 4574 1 5 . 1 1 104 104 ILE HA H 104 4.971 4.971 4.896 0.075 17811 4575 1 5 . 1 1 104 104 ILE C C 104 175.884 175.884 174.496 1.388 17811 4576 1 5 . 1 1 104 104 ILE CA C 104 59.805 59.805 58.978 0.827 17811 4577 1 5 . 1 1 104 104 ILE CB C 104 40.968 40.968 40.973 -0.005 17811 4578 1 5 . 1 1 104 104 ILE H H 104 8.687 8.687 7.930 0.757 17811 4579 1 5 . 1 1 105 105 ARG N N 105 124.391 124.391 119.207 5.184 17811 4580 1 5 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.677 0.225 17811 4581 1 5 . 1 1 105 105 ARG C C 105 174.157 174.157 174.116 0.041 17811 4582 1 5 . 1 1 105 105 ARG CA C 105 51.914 51.914 53.969 -2.055 17811 4583 1 5 . 1 1 105 105 ARG CB C 105 34.597 34.597 34.931 -0.334 17811 4584 1 5 . 1 1 105 105 ARG H H 105 9.025 9.025 8.666 0.359 17811 4585 1 5 . 1 1 106 106 LEU N N 106 123.612 123.612 120.766 2.846 17811 4586 1 5 . 1 1 106 106 LEU HA H 106 5.531 5.531 5.239 0.292 17811 4587 1 5 . 1 1 106 106 LEU C C 106 178.303 178.303 176.970 1.333 17811 4588 1 5 . 1 1 106 106 LEU CA C 106 53.161 53.161 53.756 -0.595 17811 4589 1 5 . 1 1 106 106 LEU CB C 106 45.420 45.420 44.192 1.228 17811 4590 1 5 . 1 1 106 106 LEU H H 106 11.263 11.263 8.471 2.792 17811 4591 1 5 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.638 -0.562 17811 4592 1 5 . 1 1 107 107 LYS C C 107 175.241 175.241 174.769 0.472 17811 4593 1 5 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.317 1.102 17811 4594 1 5 . 1 1 107 107 LYS CB C 107 38.913 38.913 33.628 5.285 17811 4595 1 5 . 1 1 108 108 LEU N N 108 125.733 125.733 127.858 -2.125 17811 4596 1 5 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.802 -0.139 17811 4597 1 5 . 1 1 108 108 LEU C C 108 176.152 176.152 176.656 -0.504 17811 4598 1 5 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.826 -0.501 17811 4599 1 5 . 1 1 108 108 LEU CB C 108 42.374 42.374 41.347 1.027 17811 4600 1 5 . 1 1 108 108 LEU H H 108 8.488 8.488 8.872 -0.384 17811 4601 1 5 . 1 1 109 109 GLY N N 109 113.088 113.088 112.571 0.517 17811 4602 1 5 . 1 1 109 109 GLY C C 109 171.829 171.829 173.109 -1.280 17811 4603 1 5 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.447 -0.986 17811 4604 1 5 . 1 1 109 109 GLY H H 109 7.427 7.427 8.228 -0.801 17811 4605 1 5 . 1 1 110 110 GLY N N 110 102.747 102.747 110.175 -7.428 17811 4606 1 5 . 1 1 110 110 GLY C C 110 174.538 174.538 173.599 0.939 17811 4607 1 5 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.575 -0.525 17811 4608 1 5 . 1 1 110 110 GLY H H 110 7.685 7.685 8.309 -0.624 17811 4609 1 5 . 1 1 111 111 GLY N N 111 117.376 117.376 109.449 7.927 17811 4610 1 5 . 1 1 111 111 GLY C C 111 172.020 172.020 172.643 -0.623 17811 4611 1 5 . 1 1 111 111 GLY CA C 111 43.845 43.845 44.884 -1.039 17811 4612 1 5 . 1 1 111 111 GLY H H 111 8.252 8.252 7.957 0.295 17811 4613 1 5 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.513 -0.319 17811 4614 1 5 . 1 1 112 112 GLU C C 112 177.997 177.997 176.522 1.475 17811 4615 1 5 . 1 1 112 112 GLU CA C 112 57.202 57.202 55.416 1.786 17811 4616 1 5 . 1 1 112 112 GLU CB C 112 29.489 29.489 31.697 -2.208 17811 4617 1 5 . 1 1 113 113 GLY N N 113 110.029 110.029 106.497 3.532 17811 4618 1 5 . 1 1 113 113 GLY C C 113 175.583 175.583 173.081 2.502 17811 4619 1 5 . 1 1 113 113 GLY CA C 113 46.996 46.996 44.971 2.025 17811 4620 1 5 . 1 1 113 113 GLY H H 113 8.638 8.638 8.565 0.073 17811 4621 1 5 . 1 1 114 114 GLY N N 114 107.830 107.830 108.720 -0.890 17811 4622 1 5 . 1 1 114 114 GLY C C 114 173.838 173.838 174.225 -0.387 17811 4623 1 5 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.602 0.750 17811 4624 1 5 . 1 1 114 114 GLY H H 114 8.579 8.579 7.610 0.969 17811 4625 1 5 . 1 1 115 115 HIS N N 115 122.890 122.890 122.218 0.672 17811 4626 1 5 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.156 0.547 17811 4627 1 5 . 1 1 115 115 HIS C C 115 176.520 176.520 175.655 0.865 17811 4628 1 5 . 1 1 115 115 HIS CA C 115 57.956 57.956 59.791 -1.835 17811 4629 1 5 . 1 1 115 115 HIS CB C 115 32.405 32.405 30.107 2.298 17811 4630 1 5 . 1 1 115 115 HIS H H 115 7.830 7.830 8.254 -0.424 17811 4631 1 5 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.547 -0.251 17811 4632 1 5 . 1 1 116 116 ASN C C 116 178.246 178.246 176.526 1.720 17811 4633 1 5 . 1 1 116 116 ASN CA C 116 56.380 56.380 53.914 2.466 17811 4634 1 5 . 1 1 116 116 ASN CB C 116 36.721 36.721 37.609 -0.888 17811 4635 1 5 . 1 1 117 117 GLY N N 117 113.570 113.570 108.735 4.835 17811 4636 1 5 . 1 1 117 117 GLY C C 117 175.114 175.114 175.486 -0.372 17811 4637 1 5 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.188 1.219 17811 4638 1 5 . 1 1 117 117 GLY H H 117 9.245 9.245 7.974 1.271 17811 4639 1 5 . 1 1 118 118 LEU N N 118 123.746 123.746 122.379 1.367 17811 4640 1 5 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.058 -0.222 17811 4641 1 5 . 1 1 118 118 LEU C C 118 179.150 179.150 178.350 0.800 17811 4642 1 5 . 1 1 118 118 LEU CA C 118 58.093 58.093 57.068 1.025 17811 4643 1 5 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.443 0.895 17811 4644 1 5 . 1 1 118 118 LEU H H 118 8.133 8.133 8.596 -0.463 17811 4645 1 5 . 1 1 119 119 ARG N N 119 117.495 117.495 120.057 -2.562 17811 4646 1 5 . 1 1 119 119 ARG HA H 119 4.061 4.061 3.828 0.233 17811 4647 1 5 . 1 1 119 119 ARG C C 119 178.400 178.400 178.005 0.395 17811 4648 1 5 . 1 1 119 119 ARG CA C 119 59.737 59.737 59.204 0.533 17811 4649 1 5 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.284 1.204 17811 4650 1 5 . 1 1 119 119 ARG H H 119 8.234 8.234 7.894 0.340 17811 4651 1 5 . 1 1 120 120 SER N N 120 112.769 112.769 114.736 -1.967 17811 4652 1 5 . 1 1 120 120 SER HA H 120 4.218 4.218 4.341 -0.123 17811 4653 1 5 . 1 1 120 120 SER C C 120 178.568 178.568 176.535 2.033 17811 4654 1 5 . 1 1 120 120 SER CA C 120 60.901 60.901 61.017 -0.116 17811 4655 1 5 . 1 1 120 120 SER CB C 120 63.367 63.367 63.129 0.238 17811 4656 1 5 . 1 1 120 120 SER H H 120 7.283 7.283 7.799 -0.516 17811 4657 1 5 . 1 1 121 121 VAL N N 121 120.291 120.291 124.114 -3.823 17811 4658 1 5 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.807 -0.548 17811 4659 1 5 . 1 1 121 121 VAL C C 121 176.485 176.485 177.691 -1.206 17811 4660 1 5 . 1 1 121 121 VAL CA C 121 68.094 68.094 66.334 1.760 17811 4661 1 5 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.421 0.163 17811 4662 1 5 . 1 1 121 121 VAL H H 121 8.263 8.263 7.385 0.878 17811 4663 1 5 . 1 1 122 122 ALA N N 122 120.702 120.702 121.523 -0.821 17811 4664 1 5 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.163 0.322 17811 4665 1 5 . 1 1 122 122 ALA C C 122 181.178 181.178 179.895 1.283 17811 4666 1 5 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.036 0.248 17811 4667 1 5 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.568 0.001 17811 4668 1 5 . 1 1 122 122 ALA H H 122 8.708 8.708 8.504 0.204 17811 4669 1 5 . 1 1 123 123 SER N N 123 113.198 113.198 114.175 -0.977 17811 4670 1 5 . 1 1 123 123 SER HA H 123 4.049 4.049 4.260 -0.211 17811 4671 1 5 . 1 1 123 123 SER C C 123 176.672 176.672 175.812 0.860 17811 4672 1 5 . 1 1 123 123 SER CA C 123 61.312 61.312 60.820 0.492 17811 4673 1 5 . 1 1 123 123 SER CB C 123 62.888 62.888 63.359 -0.471 17811 4674 1 5 . 1 1 123 123 SER H H 123 8.137 8.137 7.804 0.333 17811 4675 1 5 . 1 1 124 124 ALA N N 124 122.798 122.798 124.041 -1.243 17811 4676 1 5 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.242 -0.106 17811 4677 1 5 . 1 1 124 124 ALA C C 124 180.052 180.052 178.976 1.076 17811 4678 1 5 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.182 0.486 17811 4679 1 5 . 1 1 124 124 ALA CB C 124 19.870 19.870 19.361 0.509 17811 4680 1 5 . 1 1 124 124 ALA H H 124 7.692 7.692 7.589 0.103 17811 4681 1 5 . 1 1 125 125 LEU N N 125 114.359 114.359 116.932 -2.573 17811 4682 1 5 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.343 -0.152 17811 4683 1 5 . 1 1 125 125 LEU C C 125 178.024 178.024 178.305 -0.281 17811 4684 1 5 . 1 1 125 125 LEU CA C 125 55.490 55.490 56.021 -0.531 17811 4685 1 5 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.629 0.325 17811 4686 1 5 . 1 1 125 125 LEU H H 125 8.219 8.219 8.531 -0.312 17811 4687 1 5 . 1 1 126 126 GLY N N 126 106.746 106.746 105.526 1.220 17811 4688 1 5 . 1 1 126 126 GLY C C 126 173.124 173.124 174.566 -1.442 17811 4689 1 5 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.497 0.060 17811 4690 1 5 . 1 1 126 126 GLY H H 126 7.910 7.910 7.902 0.008 17811 4691 1 5 . 1 1 127 127 THR N N 127 112.372 112.372 113.881 -1.509 17811 4692 1 5 . 1 1 127 127 THR HA H 127 4.586 4.586 4.419 0.167 17811 4693 1 5 . 1 1 127 127 THR C C 127 170.252 170.252 175.520 -5.268 17811 4694 1 5 . 1 1 127 127 THR CA C 127 59.463 59.463 60.515 -1.052 17811 4695 1 5 . 1 1 127 127 THR CB C 127 67.751 67.751 69.741 -1.990 17811 4696 1 5 . 1 1 127 127 THR H H 127 7.611 7.611 7.730 -0.119 17811 4697 1 5 . 1 1 128 128 LYS N N 128 120.933 120.933 120.722 0.211 17811 4698 1 5 . 1 1 128 128 LYS HA H 128 4.314 4.314 3.921 0.393 17811 4699 1 5 . 1 1 128 128 LYS C C 128 178.400 178.400 175.483 2.917 17811 4700 1 5 . 1 1 128 128 LYS CA C 128 56.038 56.038 56.628 -0.590 17811 4701 1 5 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.132 0.616 17811 4702 1 5 . 1 1 128 128 LYS H H 128 8.075 8.075 8.589 -0.514 17811 4703 1 5 . 1 1 129 129 ASN N N 129 124.675 124.675 115.554 9.121 17811 4704 1 5 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.271 0.033 17811 4705 1 5 . 1 1 129 129 ASN C C 129 171.284 171.284 174.739 -3.455 17811 4706 1 5 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.451 0.669 17811 4707 1 5 . 1 1 129 129 ASN CB C 129 37.063 37.063 36.916 0.147 17811 4708 1 5 . 1 1 129 129 ASN H H 129 8.736 8.736 7.582 1.154 17811 4709 1 5 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.696 0.395 17811 4710 1 5 . 1 1 131 131 HIS C C 131 175.397 175.397 175.016 0.381 17811 4711 1 5 . 1 1 131 131 HIS CA C 131 60.148 60.148 56.116 4.032 17811 4712 1 5 . 1 1 131 131 HIS CB C 131 30.967 30.967 28.026 2.942 17811 4713 1 5 . 1 1 132 132 ARG N N 132 119.440 119.440 124.523 -5.083 17811 4714 1 5 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.641 1.308 17811 4715 1 5 . 1 1 132 132 ARG C C 132 174.945 174.945 174.422 0.523 17811 4716 1 5 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.548 0.010 17811 4717 1 5 . 1 1 132 132 ARG CB C 132 32.679 32.679 32.884 -0.205 17811 4718 1 5 . 1 1 132 132 ARG H H 132 9.525 9.525 8.056 1.469 17811 4719 1 5 . 1 1 133 133 VAL N N 133 124.107 124.107 125.823 -1.716 17811 4720 1 5 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.318 -0.211 17811 4721 1 5 . 1 1 133 133 VAL C C 133 172.805 172.805 174.667 -1.862 17811 4722 1 5 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.799 0.678 17811 4723 1 5 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.596 -0.192 17811 4724 1 5 . 1 1 133 133 VAL H H 133 8.669 8.669 8.976 -0.307 17811 4725 1 5 . 1 1 134 134 ARG N N 134 123.782 123.782 127.831 -4.049 17811 4726 1 5 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.864 -1.240 17811 4727 1 5 . 1 1 134 134 ARG C C 134 174.964 174.964 175.377 -0.413 17811 4728 1 5 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.648 -0.733 17811 4729 1 5 . 1 1 134 134 ARG CB C 134 32.063 32.063 30.859 1.204 17811 4730 1 5 . 1 1 134 134 ARG H H 134 8.822 8.822 8.814 0.008 17811 4731 1 5 . 1 1 135 135 ILE N N 135 122.618 122.618 127.225 -4.607 17811 4732 1 5 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.134 0.166 17811 4733 1 5 . 1 1 135 135 ILE C C 135 175.809 175.809 175.728 0.081 17811 4734 1 5 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.393 0.234 17811 4735 1 5 . 1 1 135 135 ILE CB C 135 38.433 38.433 37.821 0.612 17811 4736 1 5 . 1 1 135 135 ILE H H 135 8.532 8.532 8.884 -0.352 17811 4737 1 5 . 1 1 136 136 GLY N N 136 116.268 116.268 116.533 -0.265 17811 4738 1 5 . 1 1 136 136 GLY C C 136 175.302 175.302 175.084 0.218 17811 4739 1 5 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.664 2.770 17811 4740 1 5 . 1 1 136 136 GLY H H 136 9.240 9.240 8.341 0.899 17811 4741 1 5 . 1 1 137 137 VAL N N 137 111.669 111.669 122.385 -10.716 17811 4742 1 5 . 1 1 137 137 VAL HA H 137 5.195 5.195 5.089 0.106 17811 4743 1 5 . 1 1 137 137 VAL C C 137 176.691 176.691 175.927 0.764 17811 4744 1 5 . 1 1 137 137 VAL CA C 137 60.216 60.216 60.279 -0.062 17811 4745 1 5 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.221 1.623 17811 4746 1 5 . 1 1 137 137 VAL H H 137 8.370 8.370 8.196 0.174 17811 4747 1 5 . 1 1 138 138 GLY N N 138 111.577 111.577 109.373 2.204 17811 4748 1 5 . 1 1 138 138 GLY C C 138 169.895 169.895 172.392 -2.497 17811 4749 1 5 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.742 0.747 17811 4750 1 5 . 1 1 138 138 GLY H H 138 8.524 8.524 8.196 0.328 17811 4751 1 5 . 1 1 139 139 ARG N N 139 112.983 112.983 119.657 -6.674 17811 4752 1 5 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.678 -0.293 17811 4753 1 5 . 1 1 139 139 ARG C C 139 175.133 175.133 173.422 1.711 17811 4754 1 5 . 1 1 139 139 ARG CA C 139 53.161 53.161 52.790 0.371 17811 4755 1 5 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.559 -0.893 17811 4756 1 5 . 1 1 139 139 ARG H H 139 7.603 7.603 8.458 -0.855 17811 4757 1 5 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.495 0.138 17811 4758 1 5 . 1 1 141 141 PRO C C 141 176.503 176.503 176.508 -0.005 17811 4759 1 5 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.112 0.844 17811 4760 1 5 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.942 0.011 17811 4761 1 5 . 1 1 142 142 GLY N N 142 107.144 107.144 109.924 -2.780 17811 4762 1 5 . 1 1 142 142 GLY C C 142 175.076 175.076 174.472 0.604 17811 4763 1 5 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.927 -1.397 17811 4764 1 5 . 1 1 142 142 GLY H H 142 8.228 8.228 8.074 0.154 17811 4765 1 5 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.407 -0.142 17811 4766 1 5 . 1 1 143 143 ARG C C 143 175.848 175.848 176.299 -0.451 17811 4767 1 5 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.426 -1.005 17811 4768 1 5 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.727 -1.609 17811 4769 1 5 . 1 1 144 144 LYS N N 144 121.850 121.850 120.018 1.832 17811 4770 1 5 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.495 -0.436 17811 4771 1 5 . 1 1 144 144 LYS C C 144 175.152 175.152 175.919 -0.767 17811 4772 1 5 . 1 1 144 144 LYS CA C 144 56.312 56.312 54.955 1.357 17811 4773 1 5 . 1 1 144 144 LYS CB C 144 32.611 32.611 33.681 -1.070 17811 4774 1 5 . 1 1 144 144 LYS H H 144 7.542 7.542 7.621 -0.079 17811 4775 1 5 . 1 1 145 145 ASP N N 145 126.413 126.413 122.145 4.268 17811 4776 1 5 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.860 -0.157 17811 4777 1 5 . 1 1 145 145 ASP C C 145 176.208 176.208 175.982 0.226 17811 4778 1 5 . 1 1 145 145 ASP CA C 145 52.339 52.339 53.461 -1.121 17811 4779 1 5 . 1 1 145 145 ASP CB C 145 42.406 42.406 41.199 1.208 17811 4780 1 5 . 1 1 145 145 ASP H H 145 8.507 8.507 8.440 0.067 17811 4781 1 5 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.454 0.219 17811 4782 1 5 . 1 1 146 146 PRO C C 146 177.555 177.555 177.253 0.302 17811 4783 1 5 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.350 0.278 17811 4784 1 5 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.911 0.631 17811 4785 1 5 . 1 1 147 147 ALA N N 147 119.068 119.068 119.764 -0.696 17811 4786 1 5 . 1 1 147 147 ALA HA H 147 3.996 3.996 4.223 -0.227 17811 4787 1 5 . 1 1 147 147 ALA C C 147 179.236 179.236 178.671 0.565 17811 4788 1 5 . 1 1 147 147 ALA CA C 147 54.599 54.599 53.873 0.726 17811 4789 1 5 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.164 0.199 17811 4790 1 5 . 1 1 147 147 ALA H H 147 8.161 8.161 8.104 0.057 17811 4791 1 5 . 1 1 148 148 ALA N N 148 118.488 118.488 119.994 -1.506 17811 4792 1 5 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.263 -0.097 17811 4793 1 5 . 1 1 148 148 ALA C C 148 180.397 180.397 179.171 1.226 17811 4794 1 5 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.645 0.543 17811 4795 1 5 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.343 -0.569 17811 4796 1 5 . 1 1 148 148 ALA H H 148 7.210 7.210 8.135 -0.925 17811 4797 1 5 . 1 1 149 149 PHE N N 149 118.247 118.247 118.162 0.085 17811 4798 1 5 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.584 -0.446 17811 4799 1 5 . 1 1 149 149 PHE C C 149 178.080 178.080 178.059 0.021 17811 4800 1 5 . 1 1 149 149 PHE CA C 149 60.353 60.353 60.673 -0.320 17811 4801 1 5 . 1 1 149 149 PHE CB C 149 40.831 40.831 38.740 2.091 17811 4802 1 5 . 1 1 149 149 PHE H H 149 8.099 8.099 7.766 0.333 17811 4803 1 5 . 1 1 150 150 VAL N N 150 107.786 107.786 115.841 -8.055 17811 4804 1 5 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.396 0.441 17811 4805 1 5 . 1 1 150 150 VAL C C 150 174.757 174.757 176.356 -1.599 17811 4806 1 5 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.692 -0.845 17811 4807 1 5 . 1 1 150 150 VAL CB C 150 30.762 30.762 30.969 -0.207 17811 4808 1 5 . 1 1 150 150 VAL H H 150 7.587 7.587 7.597 -0.010 17811 4809 1 5 . 1 1 151 151 LEU N N 151 118.783 118.783 114.965 3.818 17811 4810 1 5 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.512 -0.037 17811 4811 1 5 . 1 1 151 151 LEU C C 151 174.926 174.926 176.046 -1.120 17811 4812 1 5 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.077 -1.367 17811 4813 1 5 . 1 1 151 151 LEU CB C 151 41.036 41.036 43.247 -2.211 17811 4814 1 5 . 1 1 151 151 LEU H H 151 6.914 6.914 7.329 -0.415 17811 4815 1 5 . 1 1 152 152 GLU N N 152 118.356 118.356 116.381 1.975 17811 4816 1 5 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.695 -0.370 17811 4817 1 5 . 1 1 152 152 GLU C C 152 175.752 175.752 174.582 1.170 17811 4818 1 5 . 1 1 152 152 GLU CA C 152 54.599 54.599 54.880 -0.281 17811 4819 1 5 . 1 1 152 152 GLU CB C 152 31.995 31.995 30.572 1.423 17811 4820 1 5 . 1 1 152 152 GLU H H 152 6.823 6.823 7.470 -0.647 17811 4821 1 5 . 1 1 153 153 ASN N N 153 116.805 116.805 123.315 -6.510 17811 4822 1 5 . 1 1 153 153 ASN HA H 153 4.603 4.603 5.164 -0.561 17811 4823 1 5 . 1 1 153 153 ASN C C 153 175.734 175.734 173.865 1.869 17811 4824 1 5 . 1 1 153 153 ASN CA C 153 52.750 52.750 53.080 -0.330 17811 4825 1 5 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.584 -1.740 17811 4826 1 5 . 1 1 153 153 ASN H H 153 8.064 8.064 8.939 -0.875 17811 4827 1 5 . 1 1 154 154 PHE N N 154 116.744 116.744 122.459 -5.715 17811 4828 1 5 . 1 1 154 154 PHE HA H 154 4.325 4.325 5.052 -0.727 17811 4829 1 5 . 1 1 154 154 PHE C C 154 177.142 177.142 174.047 3.095 17811 4830 1 5 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.415 3.733 17811 4831 1 5 . 1 1 154 154 PHE CB C 154 38.776 38.776 39.350 -0.574 17811 4832 1 5 . 1 1 154 154 PHE H H 154 7.410 7.410 7.942 -0.532 17811 4833 1 5 . 1 1 155 155 THR N N 155 113.714 113.714 119.637 -5.923 17811 4834 1 5 . 1 1 155 155 THR HA H 155 4.691 4.691 4.575 0.116 17811 4835 1 5 . 1 1 155 155 THR C C 155 174.870 174.870 174.678 0.192 17811 4836 1 5 . 1 1 155 155 THR CA C 155 61.648 61.648 60.670 0.978 17811 4837 1 5 . 1 1 155 155 THR CB C 155 70.697 70.697 71.740 -1.042 17811 4838 1 5 . 1 1 155 155 THR H H 155 9.356 9.356 8.183 1.173 17811 4839 1 5 . 1 1 156 156 ALA N N 156 122.937 122.937 129.743 -6.806 17811 4840 1 5 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.149 0.190 17811 4841 1 5 . 1 1 156 156 ALA C C 156 180.132 180.132 179.098 1.034 17811 4842 1 5 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.805 1.301 17811 4843 1 5 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.546 -0.594 17811 4844 1 5 . 1 1 156 156 ALA H H 156 8.931 8.931 8.928 0.003 17811 4845 1 5 . 1 1 157 157 ALA N N 157 118.892 118.892 121.504 -2.612 17811 4846 1 5 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.039 0.128 17811 4847 1 5 . 1 1 157 157 ALA C C 157 181.009 181.009 178.835 2.174 17811 4848 1 5 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.539 0.129 17811 4849 1 5 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.082 0.418 17811 4850 1 5 . 1 1 157 157 ALA H H 157 8.248 8.248 8.424 -0.176 17811 4851 1 5 . 1 1 158 158 GLU N N 158 118.304 118.304 115.616 2.688 17811 4852 1 5 . 1 1 158 158 GLU HA H 158 3.778 3.778 2.517 1.261 17811 4853 1 5 . 1 1 158 158 GLU C C 158 179.920 179.920 177.843 2.077 17811 4854 1 5 . 1 1 158 158 GLU CA C 158 58.298 58.298 57.648 0.650 17811 4855 1 5 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.832 1.930 17811 4856 1 5 . 1 1 158 158 GLU H H 158 7.486 7.486 8.287 -0.801 17811 4857 1 5 . 1 1 159 159 ARG N N 159 118.363 118.363 118.281 0.082 17811 4858 1 5 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.086 -0.383 17811 4859 1 5 . 1 1 159 159 ARG C C 159 177.793 177.793 178.907 -1.114 17811 4860 1 5 . 1 1 159 159 ARG CA C 159 59.763 59.763 57.404 2.359 17811 4861 1 5 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.422 0.997 17811 4862 1 5 . 1 1 159 159 ARG H H 159 9.117 9.117 7.339 1.778 17811 4863 1 5 . 1 1 160 160 ALA N N 160 118.334 118.334 123.029 -4.695 17811 4864 1 5 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.105 0.077 17811 4865 1 5 . 1 1 160 160 ALA C C 160 178.512 178.512 178.225 0.287 17811 4866 1 5 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.987 -0.662 17811 4867 1 5 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.263 0.511 17811 4868 1 5 . 1 1 160 160 ALA H H 160 7.227 7.227 7.529 -0.302 17811 4869 1 5 . 1 1 161 161 GLU N N 161 114.910 114.910 116.400 -1.490 17811 4870 1 5 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.605 -0.062 17811 4871 1 5 . 1 1 161 161 GLU C C 161 177.085 177.085 177.101 -0.016 17811 4872 1 5 . 1 1 161 161 GLU CA C 161 56.243 56.243 55.563 0.680 17811 4873 1 5 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.314 2.611 17811 4874 1 5 . 1 1 161 161 GLU H H 161 7.705 7.705 8.172 -0.467 17811 4875 1 5 . 1 1 162 162 VAL N N 162 120.126 120.126 122.366 -2.240 17811 4876 1 5 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.979 0.174 17811 4877 1 5 . 1 1 162 162 VAL C C 162 173.208 173.208 175.470 -2.262 17811 4878 1 5 . 1 1 162 162 VAL CA C 162 68.779 68.779 69.311 -0.532 17811 4879 1 5 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.752 0.462 17811 4880 1 5 . 1 1 162 162 VAL H H 162 7.509 7.509 7.442 0.067 17811 4881 1 5 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.219 -0.061 17811 4882 1 5 . 1 1 163 163 PRO C C 163 179.146 179.146 178.559 0.587 17811 4883 1 5 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.276 0.448 17811 4884 1 5 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.224 -0.463 17811 4885 1 5 . 1 1 164 164 THR N N 164 113.503 113.503 115.325 -1.822 17811 4886 1 5 . 1 1 164 164 THR HA H 164 4.295 4.295 4.115 0.180 17811 4887 1 5 . 1 1 164 164 THR C C 164 175.696 175.696 176.562 -0.866 17811 4888 1 5 . 1 1 164 164 THR CA C 164 66.244 66.244 66.460 -0.216 17811 4889 1 5 . 1 1 164 164 THR CB C 164 68.710 68.710 68.712 -0.002 17811 4890 1 5 . 1 1 164 164 THR H H 164 7.260 7.260 7.315 -0.055 17811 4891 1 5 . 1 1 165 165 ILE N N 165 124.266 124.266 122.231 2.035 17811 4892 1 5 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.789 -0.065 17811 4893 1 5 . 1 1 165 165 ILE C C 165 177.949 177.949 177.559 0.390 17811 4894 1 5 . 1 1 165 165 ILE CA C 165 65.148 65.148 64.197 0.951 17811 4895 1 5 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.372 1.061 17811 4896 1 5 . 1 1 165 165 ILE H H 165 7.781 7.781 7.883 -0.102 17811 4897 1 5 . 1 1 166 166 VAL N N 166 117.723 117.723 119.949 -2.226 17811 4898 1 5 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.529 -0.018 17811 4899 1 5 . 1 1 166 166 VAL C C 166 178.062 178.062 178.225 -0.163 17811 4900 1 5 . 1 1 166 166 VAL CA C 166 66.792 66.792 66.934 -0.143 17811 4901 1 5 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.268 0.110 17811 4902 1 5 . 1 1 166 166 VAL H H 166 8.605 8.605 8.066 0.539 17811 4903 1 5 . 1 1 167 167 GLU N N 167 119.572 119.572 118.306 1.266 17811 4904 1 5 . 1 1 167 167 GLU HA H 167 3.843 3.843 4.093 -0.250 17811 4905 1 5 . 1 1 167 167 GLU C C 167 179.000 179.000 179.188 -0.188 17811 4906 1 5 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.001 0.804 17811 4907 1 5 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.025 0.161 17811 4908 1 5 . 1 1 167 167 GLU H H 167 7.408 7.408 7.604 -0.196 17811 4909 1 5 . 1 1 168 168 GLN N N 168 118.334 118.334 118.865 -0.531 17811 4910 1 5 . 1 1 168 168 GLN HA H 168 3.967 3.967 4.046 -0.079 17811 4911 1 5 . 1 1 168 168 GLN C C 168 179.038 179.038 178.560 0.478 17811 4912 1 5 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.397 1.066 17811 4913 1 5 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.349 0.563 17811 4914 1 5 . 1 1 168 168 GLN H H 168 8.298 8.298 7.543 0.755 17811 4915 1 5 . 1 1 169 169 ALA N N 169 123.008 123.008 120.584 2.424 17811 4916 1 5 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.068 -0.006 17811 4917 1 5 . 1 1 169 169 ALA C C 169 180.408 180.408 178.763 1.645 17811 4918 1 5 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.688 0.528 17811 4919 1 5 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.253 0.932 17811 4920 1 5 . 1 1 169 169 ALA H H 169 9.106 9.106 8.706 0.400 17811 4921 1 5 . 1 1 170 170 ALA N N 170 125.275 125.275 120.901 4.374 17811 4922 1 5 . 1 1 170 170 ALA HA H 170 3.930 3.930 4.173 -0.243 17811 4923 1 5 . 1 1 170 170 ALA C C 170 178.831 178.831 179.261 -0.430 17811 4924 1 5 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.376 1.593 17811 4925 1 5 . 1 1 170 170 ALA CB C 170 17.130 17.130 19.004 -1.874 17811 4926 1 5 . 1 1 170 170 ALA H H 170 8.364 8.364 7.453 0.911 17811 4927 1 5 . 1 1 171 171 ASP N N 171 120.702 120.702 118.777 1.925 17811 4928 1 5 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.486 -0.233 17811 4929 1 5 . 1 1 171 171 ASP C C 171 179.507 179.507 178.223 1.284 17811 4930 1 5 . 1 1 171 171 ASP CA C 171 57.887 57.887 56.909 0.978 17811 4931 1 5 . 1 1 171 171 ASP CB C 171 39.735 39.735 41.168 -1.433 17811 4932 1 5 . 1 1 171 171 ASP H H 171 8.656 8.656 7.726 0.930 17811 4933 1 5 . 1 1 172 172 ALA N N 172 122.759 122.759 121.672 1.087 17811 4934 1 5 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.138 -0.198 17811 4935 1 5 . 1 1 172 172 ALA C C 172 178.137 178.137 179.652 -1.515 17811 4936 1 5 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.162 -0.152 17811 4937 1 5 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.644 1.226 17811 4938 1 5 . 1 1 172 172 ALA H H 172 9.380 9.380 8.313 1.067 17811 4939 1 5 . 1 1 173 173 THR N N 173 115.154 115.154 112.099 3.055 17811 4940 1 5 . 1 1 173 173 THR HA H 173 4.430 4.430 3.937 0.493 17811 4941 1 5 . 1 1 173 173 THR C C 173 175.940 175.940 176.343 -0.403 17811 4942 1 5 . 1 1 173 173 THR CA C 173 68.162 68.162 65.911 2.251 17811 4943 1 5 . 1 1 173 173 THR CB C 173 68.162 68.162 68.421 -0.259 17811 4944 1 5 . 1 1 173 173 THR H H 173 7.811 7.811 7.771 0.040 17811 4945 1 5 . 1 1 174 174 GLU N N 174 118.915 118.915 121.207 -2.292 17811 4946 1 5 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.079 -0.435 17811 4947 1 5 . 1 1 174 174 GLU C C 174 178.475 178.475 178.061 0.414 17811 4948 1 5 . 1 1 174 174 GLU CA C 174 61.381 61.381 58.432 2.949 17811 4949 1 5 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.552 0.662 17811 4950 1 5 . 1 1 174 174 GLU H H 174 7.832 7.832 7.936 -0.104 17811 4951 1 5 . 1 1 175 175 LEU N N 175 119.457 119.457 120.502 -1.045 17811 4952 1 5 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.109 -0.160 17811 4953 1 5 . 1 1 175 175 LEU C C 175 178.268 178.268 178.174 0.094 17811 4954 1 5 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.755 0.474 17811 4955 1 5 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.845 0.630 17811 4956 1 5 . 1 1 175 175 LEU H H 175 8.144 8.144 7.600 0.544 17811 4957 1 5 . 1 1 176 176 LEU N N 176 120.413 120.413 119.140 1.273 17811 4958 1 5 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.120 -0.529 17811 4959 1 5 . 1 1 176 176 LEU C C 176 177.799 177.799 179.147 -1.348 17811 4960 1 5 . 1 1 176 176 LEU CA C 176 58.093 58.093 58.448 -0.355 17811 4961 1 5 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.604 0.117 17811 4962 1 5 . 1 1 176 176 LEU H H 176 7.970 7.970 7.306 0.664 17811 4963 1 5 . 1 1 177 177 ILE N N 177 115.277 115.277 118.030 -2.753 17811 4964 1 5 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.628 0.299 17811 4965 1 5 . 1 1 177 177 ILE C C 177 177.123 177.123 177.779 -0.656 17811 4966 1 5 . 1 1 177 177 ILE CA C 177 65.148 65.148 64.828 0.321 17811 4967 1 5 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.350 1.083 17811 4968 1 5 . 1 1 177 177 ILE H H 177 7.576 7.576 7.243 0.333 17811 4969 1 5 . 1 1 178 178 ALA N N 178 118.887 118.887 121.937 -3.050 17811 4970 1 5 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.067 0.954 17811 4971 1 5 . 1 1 178 178 ALA C C 178 179.901 179.901 178.595 1.306 17811 4972 1 5 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.796 -0.128 17811 4973 1 5 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.113 1.511 17811 4974 1 5 . 1 1 178 178 ALA H H 178 8.237 8.237 8.176 0.061 17811 4975 1 5 . 1 1 179 179 GLN N N 179 112.225 112.225 114.947 -2.722 17811 4976 1 5 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.407 0.033 17811 4977 1 5 . 1 1 179 179 GLN C C 179 177.254 177.254 176.191 1.063 17811 4978 1 5 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.832 -0.205 17811 4979 1 5 . 1 1 179 179 GLN CB C 179 30.762 30.762 31.950 -1.188 17811 4980 1 5 . 1 1 179 179 GLN H H 179 8.646 8.646 8.297 0.349 17811 4981 1 5 . 1 1 180 180 GLY N N 180 109.528 109.528 106.362 3.166 17811 4982 1 5 . 1 1 180 180 GLY C C 180 173.095 173.095 172.947 0.148 17811 4983 1 5 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.438 -1.593 17811 4984 1 5 . 1 1 180 180 GLY H H 180 7.811 7.811 7.687 0.124 17811 4985 1 5 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.452 -0.740 17811 4986 1 5 . 1 1 181 181 LEU C C 181 177.257 177.257 177.829 -0.572 17811 4987 1 5 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.218 3.245 17811 4988 1 5 . 1 1 181 181 LEU CB C 181 42.612 42.612 41.761 0.851 17811 4989 1 5 . 1 1 182 182 GLU N N 182 116.836 116.836 122.280 -5.444 17811 4990 1 5 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.305 -0.078 17811 4991 1 5 . 1 1 182 182 GLU C C 182 176.406 176.406 176.358 0.048 17811 4992 1 5 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.589 1.134 17811 4993 1 5 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.391 -0.671 17811 4994 1 5 . 1 1 182 182 GLU H H 182 8.909 8.909 8.767 0.142 17811 4995 1 5 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.393 -0.156 17811 4996 1 5 . 1 1 183 183 PRO C C 183 179.992 179.992 177.602 2.390 17811 4997 1 5 . 1 1 183 183 PRO CA C 183 65.217 65.217 64.569 0.648 17811 4998 1 5 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.385 -0.212 17811 4999 1 5 . 1 1 184 184 ALA N N 184 118.151 118.151 119.700 -1.549 17811 5000 1 5 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.250 -0.415 17811 5001 1 5 . 1 1 184 184 ALA C C 184 179.526 179.526 179.056 0.470 17811 5002 1 5 . 1 1 184 184 ALA CA C 184 55.490 55.490 53.937 1.553 17811 5003 1 5 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.638 -0.480 17811 5004 1 5 . 1 1 184 184 ALA H H 184 7.350 7.350 7.982 -0.632 17811 5005 1 5 . 1 1 185 185 GLN N N 185 118.148 118.148 117.254 0.894 17811 5006 1 5 . 1 1 185 185 GLN HA H 185 3.006 3.006 3.988 -0.982 17811 5007 1 5 . 1 1 185 185 GLN C C 185 177.555 177.555 178.121 -0.566 17811 5008 1 5 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.730 0.253 17811 5009 1 5 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.237 0.538 17811 5010 1 5 . 1 1 185 185 GLN H H 185 8.848 8.848 8.363 0.485 17811 5011 1 5 . 1 1 186 186 ASN N N 186 115.032 115.032 119.342 -4.310 17811 5012 1 5 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.766 -0.605 17811 5013 1 5 . 1 1 186 186 ASN C C 186 177.160 177.160 177.456 -0.296 17811 5014 1 5 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.904 0.134 17811 5015 1 5 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.828 -0.600 17811 5016 1 5 . 1 1 186 186 ASN H H 186 7.537 7.537 7.723 -0.186 17811 5017 1 5 . 1 1 187 187 THR N N 187 114.421 114.421 117.979 -3.558 17811 5018 1 5 . 1 1 187 187 THR HA H 187 3.864 3.864 4.113 -0.249 17811 5019 1 5 . 1 1 187 187 THR C C 187 174.739 174.739 176.860 -2.121 17811 5020 1 5 . 1 1 187 187 THR CA C 187 65.422 65.422 66.667 -1.245 17811 5021 1 5 . 1 1 187 187 THR CB C 187 69.532 69.532 68.705 0.827 17811 5022 1 5 . 1 1 187 187 THR H H 187 7.120 7.120 7.597 -0.477 17811 5023 1 5 . 1 1 188 188 VAL N N 188 119.580 119.580 115.313 4.267 17811 5024 1 5 . 1 1 188 188 VAL HA H 188 4.385 4.385 3.814 0.571 17811 5025 1 5 . 1 1 188 188 VAL C C 188 178.043 178.043 175.910 2.133 17811 5026 1 5 . 1 1 188 188 VAL CA C 188 64.326 64.326 65.300 -0.974 17811 5027 1 5 . 1 1 188 188 VAL CB C 188 31.858 31.858 30.512 1.346 17811 5028 1 5 . 1 1 188 188 VAL H H 188 8.333 8.333 7.749 0.584 17811 5029 1 5 . 1 1 189 189 HIS N N 189 115.949 115.949 119.418 -3.469 17811 5030 1 5 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.648 0.022 17811 5031 1 5 . 1 1 189 189 HIS C C 189 175.114 175.114 175.665 -0.551 17811 5032 1 5 . 1 1 189 189 HIS CA C 189 56.312 56.312 57.599 -1.287 17811 5033 1 5 . 1 1 189 189 HIS CB C 189 27.474 27.474 32.238 -4.764 17811 5034 1 5 . 1 1 189 189 HIS H H 189 8.674 8.674 8.168 0.506 17811 5035 1 5 . 1 1 190 190 ALA N N 190 120.346 120.346 122.026 -1.680 17811 5036 1 5 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.200 0.384 17811 5037 1 5 . 1 1 190 190 ALA C C 190 177.906 177.906 177.044 0.862 17811 5038 1 5 . 1 1 190 190 ALA CA C 190 51.791 51.791 53.278 -1.487 17811 5039 1 5 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.755 -0.090 17811 5040 1 5 . 1 1 190 190 ALA H H 190 6.983 6.983 8.488 -1.505 17811 5041 1 6 . 1 1 2 2 ALA N N 2 125.183 125.183 122.368 2.815 17811 5042 1 6 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.704 -0.527 17811 5043 1 6 . 1 1 2 2 ALA C C 2 174.029 174.029 176.557 -2.528 17811 5044 1 6 . 1 1 2 2 ALA CA C 2 51.859 51.859 52.356 -0.497 17811 5045 1 6 . 1 1 2 2 ALA CB C 2 19.596 19.596 19.511 0.085 17811 5046 1 6 . 1 1 2 2 ALA H H 2 8.096 8.096 8.066 0.030 17811 5047 1 6 . 1 1 3 3 GLU N N 3 113.075 113.075 120.242 -7.167 17811 5048 1 6 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.620 -0.421 17811 5049 1 6 . 1 1 3 3 GLU C C 3 175.812 175.812 174.802 1.010 17811 5050 1 6 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.276 0.227 17811 5051 1 6 . 1 1 3 3 GLU CB C 3 31.584 31.584 30.002 1.582 17811 5052 1 6 . 1 1 3 3 GLU H H 3 7.483 7.483 8.158 -0.675 17811 5053 1 6 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.844 -0.069 17811 5054 1 6 . 1 1 4 4 PRO C C 4 174.213 174.213 176.114 -1.901 17811 5055 1 6 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.660 -0.389 17811 5056 1 6 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.872 2.658 17811 5057 1 6 . 1 1 5 5 LEU N N 5 120.181 120.181 121.705 -1.524 17811 5058 1 6 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.853 -0.553 17811 5059 1 6 . 1 1 5 5 LEU C C 5 174.926 174.926 175.072 -0.146 17811 5060 1 6 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.266 0.922 17811 5061 1 6 . 1 1 5 5 LEU CB C 5 45.694 45.694 44.712 0.982 17811 5062 1 6 . 1 1 5 5 LEU H H 5 7.953 7.953 8.779 -0.826 17811 5063 1 6 . 1 1 6 6 LEU N N 6 124.663 124.663 123.073 1.590 17811 5064 1 6 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.879 0.408 17811 5065 1 6 . 1 1 6 6 LEU C C 6 173.293 173.293 175.414 -2.121 17811 5066 1 6 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.808 -0.921 17811 5067 1 6 . 1 1 6 6 LEU CB C 6 45.694 45.694 44.100 1.594 17811 5068 1 6 . 1 1 6 6 LEU H H 6 8.456 8.456 8.493 -0.037 17811 5069 1 6 . 1 1 7 7 VAL N N 7 128.364 128.364 126.964 1.400 17811 5070 1 6 . 1 1 7 7 VAL HA H 7 4.999 4.999 5.062 -0.063 17811 5071 1 6 . 1 1 7 7 VAL C C 7 174.006 174.006 174.682 -0.676 17811 5072 1 6 . 1 1 7 7 VAL CA C 7 60.353 60.353 60.782 -0.429 17811 5073 1 6 . 1 1 7 7 VAL CB C 7 32.698 32.698 33.136 -0.438 17811 5074 1 6 . 1 1 7 7 VAL H H 7 9.456 9.456 9.135 0.321 17811 5075 1 6 . 1 1 8 8 VAL N N 8 126.000 126.000 127.454 -1.454 17811 5076 1 6 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.574 0.480 17811 5077 1 6 . 1 1 8 8 VAL C C 8 175.433 175.433 175.773 -0.340 17811 5078 1 6 . 1 1 8 8 VAL CA C 8 59.737 59.737 60.354 -0.617 17811 5079 1 6 . 1 1 8 8 VAL CB C 8 35.556 35.556 32.892 2.664 17811 5080 1 6 . 1 1 8 8 VAL H H 8 9.571 9.571 8.328 1.243 17811 5081 1 6 . 1 1 9 9 GLY N N 9 112.757 112.757 114.105 -1.348 17811 5082 1 6 . 1 1 9 9 GLY C C 9 171.378 171.378 171.914 -0.536 17811 5083 1 6 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.598 1.206 17811 5084 1 6 . 1 1 9 9 GLY H H 9 8.692 8.692 8.285 0.407 17811 5085 1 6 . 1 1 10 10 LEU N N 10 119.466 119.466 114.947 4.519 17811 5086 1 6 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.264 0.469 17811 5087 1 6 . 1 1 10 10 LEU C C 10 175.715 175.715 174.145 1.570 17811 5088 1 6 . 1 1 10 10 LEU CA C 10 54.188 54.188 52.349 1.839 17811 5089 1 6 . 1 1 10 10 LEU CB C 10 42.543 42.543 43.764 -1.221 17811 5090 1 6 . 1 1 10 10 LEU H H 10 7.147 7.147 7.926 -0.779 17811 5091 1 6 . 1 1 11 11 GLY N N 11 109.192 109.192 106.881 2.311 17811 5092 1 6 . 1 1 11 11 GLY C C 11 170.233 170.233 171.797 -1.564 17811 5093 1 6 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.966 -0.573 17811 5094 1 6 . 1 1 11 11 GLY H H 11 7.281 7.281 7.714 -0.433 17811 5095 1 6 . 1 1 12 12 ASN N N 12 115.701 115.701 117.100 -1.399 17811 5096 1 6 . 1 1 12 12 ASN HA H 12 4.762 4.762 5.206 -0.444 17811 5097 1 6 . 1 1 12 12 ASN C C 12 173.746 173.746 172.867 0.879 17811 5098 1 6 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.903 -0.962 17811 5099 1 6 . 1 1 12 12 ASN CB C 12 41.516 41.516 41.311 0.205 17811 5100 1 6 . 1 1 12 12 ASN H H 12 8.946 8.946 8.528 0.418 17811 5101 1 6 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.648 -0.233 17811 5102 1 6 . 1 1 13 13 PRO C C 13 177.498 177.498 176.118 1.380 17811 5103 1 6 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.933 -0.679 17811 5104 1 6 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.550 -0.624 17811 5105 1 6 . 1 1 14 14 GLY N N 14 108.978 108.978 109.128 -0.150 17811 5106 1 6 . 1 1 14 14 GLY C C 14 174.878 174.878 172.936 1.942 17811 5107 1 6 . 1 1 14 14 GLY CA C 14 47.133 47.133 45.106 2.027 17811 5108 1 6 . 1 1 14 14 GLY H H 14 8.464 8.464 7.818 0.646 17811 5109 1 6 . 1 1 16 16 THR HA H 16 4.265 4.265 4.225 0.040 17811 5110 1 6 . 1 1 16 16 THR C C 16 175.848 175.848 176.267 -0.419 17811 5111 1 6 . 1 1 16 16 THR CA C 16 65.148 65.148 64.757 0.391 17811 5112 1 6 . 1 1 16 16 THR CB C 16 68.505 68.505 68.490 0.015 17811 5113 1 6 . 1 1 17 17 TYR N N 17 117.133 117.133 120.991 -3.858 17811 5114 1 6 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.395 0.261 17811 5115 1 6 . 1 1 17 17 TYR C C 17 177.649 177.649 177.755 -0.106 17811 5116 1 6 . 1 1 17 17 TYR CA C 17 58.367 58.367 60.354 -1.987 17811 5117 1 6 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.056 2.268 17811 5118 1 6 . 1 1 17 17 TYR H H 17 7.025 7.025 8.019 -0.994 17811 5119 1 6 . 1 1 18 18 ALA N N 18 122.126 122.126 120.586 1.540 17811 5120 1 6 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.268 0.086 17811 5121 1 6 . 1 1 18 18 ALA C C 18 178.212 178.212 178.056 0.156 17811 5122 1 6 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.998 1.629 17811 5123 1 6 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.549 1.390 17811 5124 1 6 . 1 1 18 18 ALA H H 18 7.100 7.100 7.729 -0.629 17811 5125 1 6 . 1 1 19 19 LYS N N 19 115.311 115.311 118.224 -2.913 17811 5126 1 6 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.684 -0.001 17811 5127 1 6 . 1 1 19 19 LYS C C 19 175.640 175.640 175.443 0.197 17811 5128 1 6 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.200 -0.258 17811 5129 1 6 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.057 0.006 17811 5130 1 6 . 1 1 19 19 LYS H H 19 8.648 8.648 7.718 0.930 17811 5131 1 6 . 1 1 20 20 THR N N 20 108.478 108.478 109.459 -0.981 17811 5132 1 6 . 1 1 20 20 THR HA H 20 4.392 4.392 5.003 -0.611 17811 5133 1 6 . 1 1 20 20 THR C C 20 175.752 175.752 175.359 0.393 17811 5134 1 6 . 1 1 20 20 THR CA C 20 60.970 60.970 59.956 1.014 17811 5135 1 6 . 1 1 20 20 THR CB C 20 72.932 72.932 71.277 1.655 17811 5136 1 6 . 1 1 20 20 THR H H 20 7.349 7.349 7.542 -0.193 17811 5137 1 6 . 1 1 21 21 ARG N N 21 117.638 117.638 120.059 -2.421 17811 5138 1 6 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.467 -0.761 17811 5139 1 6 . 1 1 21 21 ARG C C 21 177.480 177.480 176.395 1.085 17811 5140 1 6 . 1 1 21 21 ARG CA C 21 60.083 60.083 55.666 4.417 17811 5141 1 6 . 1 1 21 21 ARG CB C 21 29.957 29.957 30.108 -0.150 17811 5142 1 6 . 1 1 21 21 ARG H H 21 7.011 7.011 8.877 -1.866 17811 5143 1 6 . 1 1 22 22 HIS N N 22 115.074 115.074 117.080 -2.006 17811 5144 1 6 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.710 -0.849 17811 5145 1 6 . 1 1 22 22 HIS C C 22 173.274 173.274 174.327 -1.053 17811 5146 1 6 . 1 1 22 22 HIS CA C 22 53.434 53.434 55.036 -1.602 17811 5147 1 6 . 1 1 22 22 HIS CB C 22 29.460 29.460 30.345 -0.885 17811 5148 1 6 . 1 1 22 22 HIS H H 22 8.162 8.162 8.532 -0.370 17811 5149 1 6 . 1 1 23 23 ASN N N 23 116.439 116.439 117.672 -1.233 17811 5150 1 6 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.682 0.103 17811 5151 1 6 . 1 1 23 23 ASN C C 23 177.104 177.104 176.286 0.818 17811 5152 1 6 . 1 1 23 23 ASN CA C 23 53.024 53.024 52.467 0.557 17811 5153 1 6 . 1 1 23 23 ASN CB C 23 38.776 38.776 37.478 1.298 17811 5154 1 6 . 1 1 23 23 ASN H H 23 7.730 7.730 8.014 -0.284 17811 5155 1 6 . 1 1 24 24 LEU N N 24 123.226 123.226 118.651 4.575 17811 5156 1 6 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.062 0.284 17811 5157 1 6 . 1 1 24 24 LEU C C 24 178.681 178.681 178.356 0.325 17811 5158 1 6 . 1 1 24 24 LEU CA C 24 59.531 59.531 58.105 1.426 17811 5159 1 6 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.895 3.087 17811 5160 1 6 . 1 1 24 24 LEU H H 24 7.939 7.939 7.517 0.422 17811 5161 1 6 . 1 1 25 25 GLY N N 25 104.146 104.146 108.330 -4.184 17811 5162 1 6 . 1 1 25 25 GLY C C 25 176.635 176.635 176.141 0.494 17811 5163 1 6 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.164 1.476 17811 5164 1 6 . 1 1 25 25 GLY H H 25 9.209 9.209 7.739 1.470 17811 5165 1 6 . 1 1 26 26 PHE N N 26 123.654 123.654 121.772 1.882 17811 5166 1 6 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.270 -0.150 17811 5167 1 6 . 1 1 26 26 PHE C C 26 177.498 177.498 178.134 -0.636 17811 5168 1 6 . 1 1 26 26 PHE CA C 26 58.778 58.778 59.613 -0.835 17811 5169 1 6 . 1 1 26 26 PHE CB C 26 37.269 37.269 38.185 -0.916 17811 5170 1 6 . 1 1 26 26 PHE H H 26 7.089 7.089 7.513 -0.424 17811 5171 1 6 . 1 1 27 27 MET N N 27 117.508 117.508 118.312 -0.804 17811 5172 1 6 . 1 1 27 27 MET HA H 27 4.257 4.257 4.244 0.013 17811 5173 1 6 . 1 1 27 27 MET C C 27 179.977 179.977 178.710 1.267 17811 5174 1 6 . 1 1 27 27 MET CA C 27 59.839 59.839 57.892 1.947 17811 5175 1 6 . 1 1 27 27 MET CB C 27 33.377 33.377 31.786 1.591 17811 5176 1 6 . 1 1 27 27 MET H H 27 8.061 8.061 7.746 0.315 17811 5177 1 6 . 1 1 28 28 VAL N N 28 119.068 119.068 119.668 -0.600 17811 5178 1 6 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.674 -0.052 17811 5179 1 6 . 1 1 28 28 VAL C C 28 177.818 177.818 178.124 -0.306 17811 5180 1 6 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.260 -0.290 17811 5181 1 6 . 1 1 28 28 VAL CB C 28 32.063 32.063 30.547 1.516 17811 5182 1 6 . 1 1 28 28 VAL H H 28 8.325 8.325 8.429 -0.104 17811 5183 1 6 . 1 1 29 29 ALA N N 29 123.327 123.327 121.628 1.699 17811 5184 1 6 . 1 1 29 29 ALA HA H 29 4.028 4.028 4.008 0.020 17811 5185 1 6 . 1 1 29 29 ALA C C 29 178.831 178.831 179.637 -0.806 17811 5186 1 6 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.313 0.725 17811 5187 1 6 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.335 -0.862 17811 5188 1 6 . 1 1 29 29 ALA H H 29 8.647 8.647 8.216 0.431 17811 5189 1 6 . 1 1 30 30 ASP N N 30 118.148 118.148 118.306 -0.158 17811 5190 1 6 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.521 0.158 17811 5191 1 6 . 1 1 30 30 ASP C C 30 180.089 180.089 178.244 1.845 17811 5192 1 6 . 1 1 30 30 ASP CA C 30 58.161 58.161 56.820 1.341 17811 5193 1 6 . 1 1 30 30 ASP CB C 30 39.666 39.666 41.411 -1.745 17811 5194 1 6 . 1 1 30 30 ASP H H 30 8.574 8.574 7.771 0.803 17811 5195 1 6 . 1 1 31 31 VAL N N 31 123.410 123.410 116.918 6.492 17811 5196 1 6 . 1 1 31 31 VAL HA H 31 3.795 3.795 4.000 -0.205 17811 5197 1 6 . 1 1 31 31 VAL C C 31 180.070 180.070 177.436 2.634 17811 5198 1 6 . 1 1 31 31 VAL CA C 31 66.724 66.724 64.836 1.888 17811 5199 1 6 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.668 -0.084 17811 5200 1 6 . 1 1 31 31 VAL H H 31 7.482 7.482 7.779 -0.297 17811 5201 1 6 . 1 1 32 32 LEU N N 32 121.772 121.772 117.462 4.310 17811 5202 1 6 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.318 -0.452 17811 5203 1 6 . 1 1 32 32 LEU C C 32 178.249 178.249 178.866 -0.617 17811 5204 1 6 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.318 1.049 17811 5205 1 6 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.343 1.926 17811 5206 1 6 . 1 1 32 32 LEU H H 32 8.785 8.785 7.756 1.029 17811 5207 1 6 . 1 1 33 33 ALA N N 33 122.901 122.901 122.336 0.565 17811 5208 1 6 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.222 -0.612 17811 5209 1 6 . 1 1 33 33 ALA C C 33 179.808 179.808 179.361 0.447 17811 5210 1 6 . 1 1 33 33 ALA CA C 33 55.832 55.832 54.629 1.203 17811 5211 1 6 . 1 1 33 33 ALA CB C 33 18.569 18.569 17.858 0.711 17811 5212 1 6 . 1 1 33 33 ALA H H 33 8.711 8.711 7.719 0.992 17811 5213 1 6 . 1 1 34 34 GLY N N 34 105.309 105.309 105.325 -0.016 17811 5214 1 6 . 1 1 34 34 GLY C C 34 176.184 176.184 176.168 0.016 17811 5215 1 6 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.364 0.426 17811 5216 1 6 . 1 1 34 34 GLY H H 34 7.665 7.665 7.619 0.046 17811 5217 1 6 . 1 1 35 35 ARG N N 35 121.117 121.117 119.893 1.224 17811 5218 1 6 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.169 -0.054 17811 5219 1 6 . 1 1 35 35 ARG C C 35 178.812 178.812 177.511 1.301 17811 5220 1 6 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.435 1.959 17811 5221 1 6 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.774 -0.108 17811 5222 1 6 . 1 1 35 35 ARG H H 35 7.623 7.623 7.529 0.094 17811 5223 1 6 . 1 1 36 36 ILE N N 36 120.413 120.413 117.458 2.955 17811 5224 1 6 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.117 -0.395 17811 5225 1 6 . 1 1 36 36 ILE C C 36 177.142 177.142 176.610 0.532 17811 5226 1 6 . 1 1 36 36 ILE CA C 36 64.600 64.600 61.396 3.204 17811 5227 1 6 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.314 0.462 17811 5228 1 6 . 1 1 36 36 ILE H H 36 7.950 7.950 7.482 0.468 17811 5229 1 6 . 1 1 37 37 GLY N N 37 107.419 107.419 108.496 -1.077 17811 5230 1 6 . 1 1 37 37 GLY C C 37 174.307 174.307 173.761 0.546 17811 5231 1 6 . 1 1 37 37 GLY CA C 37 45.420 45.420 45.137 0.283 17811 5232 1 6 . 1 1 37 37 GLY H H 37 8.305 8.305 7.782 0.523 17811 5233 1 6 . 1 1 38 38 SER N N 38 113.320 113.320 116.445 -3.125 17811 5234 1 6 . 1 1 38 38 SER HA H 38 4.683 4.683 4.762 -0.079 17811 5235 1 6 . 1 1 38 38 SER C C 38 171.472 171.472 172.505 -1.033 17811 5236 1 6 . 1 1 38 38 SER CA C 38 56.654 56.654 57.220 -0.566 17811 5237 1 6 . 1 1 38 38 SER CB C 38 66.244 66.244 64.937 1.307 17811 5238 1 6 . 1 1 38 38 SER H H 38 7.101 7.101 8.030 -0.929 17811 5239 1 6 . 1 1 39 39 ALA N N 39 123.838 123.838 126.946 -3.108 17811 5240 1 6 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.618 -0.216 17811 5241 1 6 . 1 1 39 39 ALA C C 39 177.708 177.708 175.359 2.349 17811 5242 1 6 . 1 1 39 39 ALA CA C 39 50.695 50.695 52.304 -1.609 17811 5243 1 6 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.470 0.154 17811 5244 1 6 . 1 1 39 39 ALA H H 39 8.032 8.032 8.297 -0.265 17811 5245 1 6 . 1 1 40 40 PHE N N 40 118.117 118.117 123.859 -5.742 17811 5246 1 6 . 1 1 40 40 PHE HA H 40 4.039 4.039 5.243 -1.204 17811 5247 1 6 . 1 1 40 40 PHE C C 40 176.672 176.672 174.835 1.837 17811 5248 1 6 . 1 1 40 40 PHE CA C 40 59.942 59.942 56.992 2.950 17811 5249 1 6 . 1 1 40 40 PHE CB C 40 40.694 40.694 41.473 -0.779 17811 5250 1 6 . 1 1 40 40 PHE H H 40 8.066 8.066 8.409 -0.343 17811 5251 1 6 . 1 1 41 41 LYS N N 41 120.915 120.915 119.103 1.812 17811 5252 1 6 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.535 0.227 17811 5253 1 6 . 1 1 41 41 LYS C C 41 176.034 176.034 174.900 1.134 17811 5254 1 6 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.737 -0.001 17811 5255 1 6 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.859 1.451 17811 5256 1 6 . 1 1 41 41 LYS H H 41 8.593 8.593 7.854 0.739 17811 5257 1 6 . 1 1 42 42 VAL N N 42 123.504 123.504 121.343 2.161 17811 5258 1 6 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.081 -0.249 17811 5259 1 6 . 1 1 42 42 VAL C C 42 175.377 175.377 174.996 0.381 17811 5260 1 6 . 1 1 42 42 VAL CA C 42 64.874 64.874 62.877 1.998 17811 5261 1 6 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.549 0.377 17811 5262 1 6 . 1 1 42 42 VAL H H 42 8.707 8.707 8.487 0.220 17811 5263 1 6 . 1 1 43 43 HIS N N 43 132.195 132.195 129.214 2.981 17811 5264 1 6 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.651 -0.126 17811 5265 1 6 . 1 1 43 43 HIS C C 43 175.104 175.104 173.879 1.225 17811 5266 1 6 . 1 1 43 43 HIS CA C 43 56.106 56.106 54.450 1.655 17811 5267 1 6 . 1 1 43 43 HIS CB C 43 31.721 31.721 28.906 2.815 17811 5268 1 6 . 1 1 43 43 HIS H H 43 9.354 9.354 8.350 1.004 17811 5269 1 6 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.297 -0.357 17811 5270 1 6 . 1 1 45 45 LYS C C 45 177.001 177.001 176.402 0.599 17811 5271 1 6 . 1 1 45 45 LYS CA C 45 58.367 58.367 56.593 1.774 17811 5272 1 6 . 1 1 45 45 LYS CB C 45 32.200 32.200 33.757 -1.557 17811 5273 1 6 . 1 1 46 46 SER N N 46 111.577 111.577 113.769 -2.192 17811 5274 1 6 . 1 1 46 46 SER HA H 46 4.414 4.414 4.634 -0.220 17811 5275 1 6 . 1 1 46 46 SER C C 46 174.926 174.926 175.103 -0.177 17811 5276 1 6 . 1 1 46 46 SER CA C 46 60.011 60.011 60.279 -0.267 17811 5277 1 6 . 1 1 46 46 SER CB C 46 65.354 65.354 65.189 0.164 17811 5278 1 6 . 1 1 46 46 SER H H 46 7.746 7.746 8.644 -0.898 17811 5279 1 6 . 1 1 47 47 GLY N N 47 112.402 112.402 107.299 5.103 17811 5280 1 6 . 1 1 47 47 GLY C C 47 173.180 173.180 172.818 0.362 17811 5281 1 6 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.710 0.505 17811 5282 1 6 . 1 1 47 47 GLY H H 47 8.692 8.692 8.471 0.221 17811 5283 1 6 . 1 1 48 48 ALA N N 48 120.322 120.322 123.908 -3.586 17811 5284 1 6 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.459 -0.043 17811 5285 1 6 . 1 1 48 48 ALA C C 48 175.621 175.621 176.454 -0.833 17811 5286 1 6 . 1 1 48 48 ALA CA C 48 51.585 51.585 51.986 -0.401 17811 5287 1 6 . 1 1 48 48 ALA CB C 48 19.802 19.802 18.566 1.236 17811 5288 1 6 . 1 1 48 48 ALA H H 48 7.740 7.740 7.888 -0.148 17811 5289 1 6 . 1 1 49 49 GLU N N 49 116.907 116.907 125.398 -8.491 17811 5290 1 6 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.756 0.170 17811 5291 1 6 . 1 1 49 49 GLU C C 49 176.184 176.184 175.044 1.140 17811 5292 1 6 . 1 1 49 49 GLU CA C 49 55.558 55.558 55.435 0.122 17811 5293 1 6 . 1 1 49 49 GLU CB C 49 31.858 31.858 31.896 -0.038 17811 5294 1 6 . 1 1 49 49 GLU H H 49 8.262 8.262 8.021 0.241 17811 5295 1 6 . 1 1 50 50 VAL N N 50 117.403 117.403 120.293 -2.890 17811 5296 1 6 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.634 0.206 17811 5297 1 6 . 1 1 50 50 VAL C C 50 176.053 176.053 173.346 2.707 17811 5298 1 6 . 1 1 50 50 VAL CA C 50 60.011 60.011 59.189 0.822 17811 5299 1 6 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.482 2.609 17811 5300 1 6 . 1 1 50 50 VAL H H 50 9.223 9.223 8.215 1.008 17811 5301 1 6 . 1 1 51 51 VAL N N 51 125.278 125.278 121.105 4.173 17811 5302 1 6 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.538 -0.387 17811 5303 1 6 . 1 1 51 51 VAL C C 51 173.706 173.706 174.208 -0.502 17811 5304 1 6 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.044 1.405 17811 5305 1 6 . 1 1 51 51 VAL CB C 51 35.899 35.899 34.701 1.198 17811 5306 1 6 . 1 1 51 51 VAL H H 51 9.266 9.266 8.578 0.688 17811 5307 1 6 . 1 1 52 52 THR N N 52 115.674 115.674 125.258 -9.584 17811 5308 1 6 . 1 1 52 52 THR HA H 52 5.168 5.168 5.029 0.139 17811 5309 1 6 . 1 1 52 52 THR C C 52 173.669 173.669 174.004 -0.335 17811 5310 1 6 . 1 1 52 52 THR CA C 52 58.709 58.709 61.601 -2.892 17811 5311 1 6 . 1 1 52 52 THR CB C 52 70.628 70.628 69.469 1.159 17811 5312 1 6 . 1 1 52 52 THR H H 52 8.243 8.243 8.232 0.011 17811 5313 1 6 . 1 1 53 53 GLY N N 53 108.122 108.122 112.395 -4.273 17811 5314 1 6 . 1 1 53 53 GLY C C 53 170.721 170.721 171.754 -1.033 17811 5315 1 6 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.911 0.578 17811 5316 1 6 . 1 1 53 53 GLY H H 53 7.908 7.908 8.193 -0.285 17811 5317 1 6 . 1 1 54 54 ARG N N 54 120.750 120.750 119.668 1.082 17811 5318 1 6 . 1 1 54 54 ARG HA H 54 5.105 5.105 5.028 0.077 17811 5319 1 6 . 1 1 54 54 ARG C C 54 175.095 175.095 175.162 -0.067 17811 5320 1 6 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.313 -0.303 17811 5321 1 6 . 1 1 54 54 ARG CB C 54 32.474 32.474 32.933 -0.459 17811 5322 1 6 . 1 1 54 54 ARG H H 54 8.379 8.379 8.324 0.055 17811 5323 1 6 . 1 1 55 55 LEU N N 55 123.787 123.787 125.410 -1.623 17811 5324 1 6 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.594 -0.167 17811 5325 1 6 . 1 1 55 55 LEU C C 55 175.058 175.058 177.404 -2.346 17811 5326 1 6 . 1 1 55 55 LEU CA C 55 53.572 53.572 54.234 -0.662 17811 5327 1 6 . 1 1 55 55 LEU CB C 55 45.968 45.968 42.449 3.519 17811 5328 1 6 . 1 1 55 55 LEU H H 55 8.777 8.777 8.356 0.421 17811 5329 1 6 . 1 1 56 56 ALA N N 56 127.548 127.548 128.539 -0.991 17811 5330 1 6 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.958 -0.028 17811 5331 1 6 . 1 1 56 56 ALA C C 56 177.855 177.855 177.190 0.665 17811 5332 1 6 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.801 -0.709 17811 5333 1 6 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.751 -0.141 17811 5334 1 6 . 1 1 56 56 ALA H H 56 9.275 9.275 9.063 0.212 17811 5335 1 6 . 1 1 57 57 GLY N N 57 103.215 103.215 103.656 -0.441 17811 5336 1 6 . 1 1 57 57 GLY C C 57 174.157 174.157 173.504 0.653 17811 5337 1 6 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.417 0.277 17811 5338 1 6 . 1 1 57 57 GLY H H 57 8.507 8.507 8.468 0.039 17811 5339 1 6 . 1 1 58 58 THR N N 58 119.802 119.802 117.940 1.862 17811 5340 1 6 . 1 1 58 58 THR HA H 58 4.411 4.411 4.321 0.090 17811 5341 1 6 . 1 1 58 58 THR C C 58 172.711 172.711 173.949 -1.238 17811 5342 1 6 . 1 1 58 58 THR CA C 58 62.134 62.134 61.675 0.459 17811 5343 1 6 . 1 1 58 58 THR CB C 58 71.313 71.313 69.213 2.099 17811 5344 1 6 . 1 1 58 58 THR H H 58 8.017 8.017 7.539 0.478 17811 5345 1 6 . 1 1 59 59 SER N N 59 122.901 122.901 121.557 1.344 17811 5346 1 6 . 1 1 59 59 SER HA H 59 4.492 4.492 4.796 -0.304 17811 5347 1 6 . 1 1 59 59 SER C C 59 173.537 173.537 174.526 -0.989 17811 5348 1 6 . 1 1 59 59 SER CA C 59 59.600 59.600 57.422 2.178 17811 5349 1 6 . 1 1 59 59 SER CB C 59 63.367 63.367 63.135 0.232 17811 5350 1 6 . 1 1 59 59 SER H H 59 9.013 9.013 8.536 0.477 17811 5351 1 6 . 1 1 60 60 VAL N N 60 119.354 119.354 119.690 -0.336 17811 5352 1 6 . 1 1 60 60 VAL HA H 60 5.060 5.060 5.016 0.044 17811 5353 1 6 . 1 1 60 60 VAL C C 60 174.926 174.926 174.580 0.346 17811 5354 1 6 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.418 -0.092 17811 5355 1 6 . 1 1 60 60 VAL CB C 60 36.378 36.378 33.851 2.527 17811 5356 1 6 . 1 1 60 60 VAL H H 60 8.836 8.836 8.929 -0.093 17811 5357 1 6 . 1 1 61 61 VAL N N 61 124.480 124.480 125.822 -1.342 17811 5358 1 6 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.149 0.016 17811 5359 1 6 . 1 1 61 61 VAL C C 61 173.218 173.218 174.284 -1.066 17811 5360 1 6 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.734 1.195 17811 5361 1 6 . 1 1 61 61 VAL CB C 61 32.474 32.474 30.998 1.476 17811 5362 1 6 . 1 1 61 61 VAL H H 61 8.507 8.507 9.126 -0.619 17811 5363 1 6 . 1 1 62 62 LEU N N 62 129.499 129.499 130.306 -0.807 17811 5364 1 6 . 1 1 62 62 LEU HA H 62 5.472 5.472 4.646 0.826 17811 5365 1 6 . 1 1 62 62 LEU C C 62 175.095 175.095 174.511 0.584 17811 5366 1 6 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.080 -0.330 17811 5367 1 6 . 1 1 62 62 LEU CB C 62 44.872 44.872 42.507 2.365 17811 5368 1 6 . 1 1 62 62 LEU H H 62 9.202 9.202 8.227 0.975 17811 5369 1 6 . 1 1 63 63 ALA N N 63 126.661 126.661 130.639 -3.978 17811 5370 1 6 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.504 0.368 17811 5371 1 6 . 1 1 63 63 ALA C C 63 175.583 175.583 175.727 -0.144 17811 5372 1 6 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.243 0.041 17811 5373 1 6 . 1 1 63 63 ALA CB C 63 25.556 25.556 21.790 3.766 17811 5374 1 6 . 1 1 63 63 ALA H H 63 9.567 9.567 9.088 0.480 17811 5375 1 6 . 1 1 64 64 LYS N N 64 117.967 117.967 124.792 -6.825 17811 5376 1 6 . 1 1 64 64 LYS HA H 64 5.000 5.000 4.941 0.059 17811 5377 1 6 . 1 1 64 64 LYS C C 64 174.057 174.057 173.748 0.309 17811 5378 1 6 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.503 0.795 17811 5379 1 6 . 1 1 64 64 LYS CB C 64 34.734 34.734 32.085 2.649 17811 5380 1 6 . 1 1 64 64 LYS H H 64 8.422 8.422 8.625 -0.203 17811 5381 1 6 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.502 0.032 17811 5382 1 6 . 1 1 65 65 PRO C C 65 174.946 174.946 176.941 -1.995 17811 5383 1 6 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.321 0.361 17811 5384 1 6 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.294 0.454 17811 5385 1 6 . 1 1 66 66 ARG N N 66 121.057 121.057 118.832 2.225 17811 5386 1 6 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.357 0.160 17811 5387 1 6 . 1 1 66 66 ARG C C 66 175.264 175.264 175.756 -0.492 17811 5388 1 6 . 1 1 66 66 ARG CA C 66 54.942 54.942 55.910 -0.968 17811 5389 1 6 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.316 0.925 17811 5390 1 6 . 1 1 66 66 ARG H H 66 9.377 9.377 8.599 0.778 17811 5391 1 6 . 1 1 67 67 CYS N N 67 115.093 115.093 118.666 -3.573 17811 5392 1 6 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.605 0.101 17811 5393 1 6 . 1 1 67 67 CYS C C 67 172.092 172.092 174.867 -2.775 17811 5394 1 6 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.616 -3.291 17811 5395 1 6 . 1 1 67 67 CYS CB C 67 30.899 30.899 30.066 0.833 17811 5396 1 6 . 1 1 67 67 CYS H H 67 7.303 7.303 7.648 -0.345 17811 5397 1 6 . 1 1 68 68 TYR N N 68 115.888 115.888 120.770 -4.882 17811 5398 1 6 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.806 -0.386 17811 5399 1 6 . 1 1 68 68 TYR C C 68 178.080 178.080 177.425 0.655 17811 5400 1 6 . 1 1 68 68 TYR CA C 68 59.874 59.874 56.800 3.074 17811 5401 1 6 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.666 -0.301 17811 5402 1 6 . 1 1 68 68 TYR H H 68 8.201 8.201 8.606 -0.405 17811 5403 1 6 . 1 1 69 69 MET N N 69 119.802 119.802 118.686 1.116 17811 5404 1 6 . 1 1 69 69 MET HA H 69 4.137 4.137 3.881 0.256 17811 5405 1 6 . 1 1 69 69 MET C C 69 175.076 175.076 177.235 -2.159 17811 5406 1 6 . 1 1 69 69 MET CA C 69 58.641 58.641 59.406 -0.765 17811 5407 1 6 . 1 1 69 69 MET CB C 69 33.090 33.090 31.616 1.474 17811 5408 1 6 . 1 1 69 69 MET H H 69 8.367 8.367 8.073 0.294 17811 5409 1 6 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.471 -0.176 17811 5410 1 6 . 1 1 70 70 ASN C C 70 175.274 175.274 176.710 -1.436 17811 5411 1 6 . 1 1 70 70 ASN CA C 70 55.284 55.284 55.488 -0.204 17811 5412 1 6 . 1 1 70 70 ASN CB C 70 37.474 37.474 37.877 -0.403 17811 5413 1 6 . 1 1 71 71 GLU N N 71 117.111 117.111 118.470 -1.359 17811 5414 1 6 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.115 0.639 17811 5415 1 6 . 1 1 71 71 GLU C C 71 176.823 176.823 178.151 -1.328 17811 5416 1 6 . 1 1 71 71 GLU CA C 71 55.421 55.421 57.803 -2.382 17811 5417 1 6 . 1 1 71 71 GLU CB C 71 31.036 31.036 29.454 1.582 17811 5418 1 6 . 1 1 71 71 GLU H H 71 8.007 8.007 7.030 0.977 17811 5419 1 6 . 1 1 72 72 SER N N 72 115.827 115.827 114.939 0.888 17811 5420 1 6 . 1 1 72 72 SER HA H 72 4.726 4.726 4.224 0.502 17811 5421 1 6 . 1 1 72 72 SER C C 72 177.029 177.029 177.174 -0.145 17811 5422 1 6 . 1 1 72 72 SER CA C 72 63.778 63.778 60.963 2.815 17811 5423 1 6 . 1 1 72 72 SER CB C 72 63.890 63.890 63.000 0.890 17811 5424 1 6 . 1 1 72 72 SER H H 72 7.703 7.703 8.370 -0.667 17811 5425 1 6 . 1 1 73 73 GLY N N 73 109.887 109.887 108.414 1.473 17811 5426 1 6 . 1 1 73 73 GLY C C 73 173.988 173.988 176.321 -2.333 17811 5427 1 6 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.502 1.932 17811 5428 1 6 . 1 1 73 73 GLY H H 73 9.527 9.527 7.809 1.718 17811 5429 1 6 . 1 1 74 74 ARG N N 74 119.068 119.068 119.863 -0.795 17811 5430 1 6 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.142 0.037 17811 5431 1 6 . 1 1 74 74 ARG C C 74 176.973 176.973 178.597 -1.624 17811 5432 1 6 . 1 1 74 74 ARG CA C 74 58.024 58.024 58.266 -0.242 17811 5433 1 6 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.879 -0.213 17811 5434 1 6 . 1 1 74 74 ARG H H 74 8.207 8.207 7.511 0.697 17811 5435 1 6 . 1 1 75 75 GLN N N 75 113.474 113.474 117.911 -4.437 17811 5436 1 6 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.317 0.306 17811 5437 1 6 . 1 1 75 75 GLN C C 75 175.840 175.840 177.480 -1.640 17811 5438 1 6 . 1 1 75 75 GLN CA C 75 57.613 57.613 56.547 1.066 17811 5439 1 6 . 1 1 75 75 GLN CB C 75 29.597 29.597 28.192 1.405 17811 5440 1 6 . 1 1 75 75 GLN H H 75 7.260 7.260 7.738 -0.478 17811 5441 1 6 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.680 -0.250 17811 5442 1 6 . 1 1 76 76 VAL C C 76 176.463 176.463 177.352 -0.889 17811 5443 1 6 . 1 1 76 76 VAL CA C 76 66.998 66.998 66.317 0.681 17811 5444 1 6 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.431 1.043 17811 5445 1 6 . 1 1 77 77 GLY N N 77 104.918 104.918 107.667 -2.749 17811 5446 1 6 . 1 1 77 77 GLY C C 77 175.472 175.472 173.540 1.932 17811 5447 1 6 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.122 0.107 17811 5448 1 6 . 1 1 77 77 GLY H H 77 8.541 8.541 7.846 0.695 17811 5449 1 6 . 1 1 78 78 PRO HA H 78 4.217 4.217 3.979 0.238 17811 5450 1 6 . 1 1 78 78 PRO C C 78 179.208 179.208 177.707 1.501 17811 5451 1 6 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.072 0.076 17811 5452 1 6 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.146 1.122 17811 5453 1 6 . 1 1 79 79 LEU N N 79 119.649 119.649 118.924 0.725 17811 5454 1 6 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.284 -0.330 17811 5455 1 6 . 1 1 79 79 LEU C C 79 177.367 177.367 178.594 -1.227 17811 5456 1 6 . 1 1 79 79 LEU CA C 79 58.504 58.504 56.986 1.518 17811 5457 1 6 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.212 1.674 17811 5458 1 6 . 1 1 79 79 LEU H H 79 7.466 7.466 7.478 -0.012 17811 5459 1 6 . 1 1 80 80 ALA N N 80 120.470 120.470 120.864 -0.394 17811 5460 1 6 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.010 -0.122 17811 5461 1 6 . 1 1 80 80 ALA C C 80 179.939 179.939 179.208 0.731 17811 5462 1 6 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.455 0.035 17811 5463 1 6 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.477 -0.867 17811 5464 1 6 . 1 1 80 80 ALA H H 80 8.279 8.279 8.538 -0.259 17811 5465 1 6 . 1 1 81 81 LYS N N 81 116.408 116.408 115.636 0.772 17811 5466 1 6 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.094 -0.000 17811 5467 1 6 . 1 1 81 81 LYS C C 81 179.920 179.920 178.380 1.540 17811 5468 1 6 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.402 0.513 17811 5469 1 6 . 1 1 81 81 LYS CB C 81 32.337 32.337 31.867 0.470 17811 5470 1 6 . 1 1 81 81 LYS H H 81 7.798 7.798 7.393 0.405 17811 5471 1 6 . 1 1 82 82 PHE N N 82 121.199 121.199 118.286 2.913 17811 5472 1 6 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.257 -0.222 17811 5473 1 6 . 1 1 82 82 PHE C C 82 177.254 177.254 176.772 0.482 17811 5474 1 6 . 1 1 82 82 PHE CA C 82 61.449 61.449 59.877 1.571 17811 5475 1 6 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.564 0.349 17811 5476 1 6 . 1 1 82 82 PHE H H 82 8.489 8.489 7.486 1.003 17811 5477 1 6 . 1 1 83 83 TYR N N 83 114.176 114.176 114.963 -0.787 17811 5478 1 6 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.714 -0.310 17811 5479 1 6 . 1 1 83 83 TYR C C 83 173.368 173.368 175.521 -2.153 17811 5480 1 6 . 1 1 83 83 TYR CA C 83 59.600 59.600 57.493 2.107 17811 5481 1 6 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.672 0.378 17811 5482 1 6 . 1 1 83 83 TYR H H 83 7.634 7.634 7.363 0.271 17811 5483 1 6 . 1 1 84 84 SER N N 84 114.910 114.910 113.763 1.147 17811 5484 1 6 . 1 1 84 84 SER HA H 84 4.020 4.020 4.224 -0.204 17811 5485 1 6 . 1 1 84 84 SER C C 84 173.518 173.518 174.265 -0.747 17811 5486 1 6 . 1 1 84 84 SER CA C 84 58.367 58.367 59.389 -1.022 17811 5487 1 6 . 1 1 84 84 SER CB C 84 61.244 61.244 62.116 -0.872 17811 5488 1 6 . 1 1 84 84 SER H H 84 7.674 7.674 7.790 -0.116 17811 5489 1 6 . 1 1 85 85 VAL N N 85 120.291 120.291 118.742 1.549 17811 5490 1 6 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.463 -0.506 17811 5491 1 6 . 1 1 85 85 VAL C C 85 174.171 174.171 173.693 0.478 17811 5492 1 6 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.841 0.485 17811 5493 1 6 . 1 1 85 85 VAL CB C 85 33.296 33.296 31.769 1.527 17811 5494 1 6 . 1 1 85 85 VAL H H 85 8.456 8.456 7.641 0.815 17811 5495 1 6 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.452 -0.096 17811 5496 1 6 . 1 1 89 89 GLN C C 89 179.299 179.299 176.131 3.168 17811 5497 1 6 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.631 1.201 17811 5498 1 6 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.069 0.186 17811 5499 1 6 . 1 1 90 90 ILE N N 90 119.343 119.343 121.880 -2.537 17811 5500 1 6 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.123 -0.061 17811 5501 1 6 . 1 1 90 90 ILE C C 90 175.020 175.020 175.975 -0.955 17811 5502 1 6 . 1 1 90 90 ILE CA C 90 60.627 60.627 61.146 -0.519 17811 5503 1 6 . 1 1 90 90 ILE CB C 90 38.365 38.365 39.683 -1.318 17811 5504 1 6 . 1 1 90 90 ILE H H 90 7.728 7.728 7.669 0.059 17811 5505 1 6 . 1 1 91 91 VAL N N 91 127.979 127.979 122.116 5.863 17811 5506 1 6 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.636 -0.182 17811 5507 1 6 . 1 1 91 91 VAL C C 91 174.119 174.119 173.997 0.122 17811 5508 1 6 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.800 0.690 17811 5509 1 6 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.063 0.534 17811 5510 1 6 . 1 1 91 91 VAL H H 91 9.358 9.358 9.186 0.172 17811 5511 1 6 . 1 1 92 92 VAL N N 92 127.153 127.153 126.007 1.146 17811 5512 1 6 . 1 1 92 92 VAL HA H 92 4.155 4.155 4.626 -0.471 17811 5513 1 6 . 1 1 92 92 VAL C C 92 174.326 174.326 174.953 -0.627 17811 5514 1 6 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.661 0.446 17811 5515 1 6 . 1 1 92 92 VAL CB C 92 33.570 33.570 33.207 0.363 17811 5516 1 6 . 1 1 92 92 VAL H H 92 9.268 9.268 8.709 0.559 17811 5517 1 6 . 1 1 93 93 ILE N N 93 128.894 128.894 128.210 0.684 17811 5518 1 6 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.750 0.250 17811 5519 1 6 . 1 1 93 93 ILE C C 93 174.945 174.945 174.124 0.821 17811 5520 1 6 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.270 0.700 17811 5521 1 6 . 1 1 93 93 ILE CB C 93 39.461 39.461 38.858 0.603 17811 5522 1 6 . 1 1 93 93 ILE H H 93 9.198 9.198 8.414 0.784 17811 5523 1 6 . 1 1 94 94 HIS N N 94 121.624 121.624 127.602 -5.978 17811 5524 1 6 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.983 0.441 17811 5525 1 6 . 1 1 94 94 HIS C C 94 171.510 171.510 173.178 -1.668 17811 5526 1 6 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.737 -0.549 17811 5527 1 6 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.365 -1.617 17811 5528 1 6 . 1 1 94 94 HIS H H 94 8.762 8.762 9.377 -0.615 17811 5529 1 6 . 1 1 95 95 ASP N N 95 115.353 115.353 119.191 -3.838 17811 5530 1 6 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.864 0.240 17811 5531 1 6 . 1 1 95 95 ASP C C 95 177.555 177.555 175.217 2.338 17811 5532 1 6 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.574 -0.756 17811 5533 1 6 . 1 1 95 95 ASP CB C 95 42.064 42.064 42.047 0.017 17811 5534 1 6 . 1 1 95 95 ASP H H 95 10.045 10.045 8.778 1.267 17811 5535 1 6 . 1 1 96 96 GLU N N 96 125.562 125.562 121.058 4.504 17811 5536 1 6 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.805 0.429 17811 5537 1 6 . 1 1 96 96 GLU C C 96 175.245 175.245 176.313 -1.068 17811 5538 1 6 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.796 -0.197 17811 5539 1 6 . 1 1 96 96 GLU CB C 96 34.255 34.255 30.870 3.385 17811 5540 1 6 . 1 1 96 96 GLU H H 96 9.100 9.100 8.683 0.417 17811 5541 1 6 . 1 1 97 97 LEU N N 97 130.882 130.882 122.907 7.975 17811 5542 1 6 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.928 -0.420 17811 5543 1 6 . 1 1 97 97 LEU C C 97 177.911 177.911 177.293 0.618 17811 5544 1 6 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.224 0.704 17811 5545 1 6 . 1 1 97 97 LEU CB C 97 43.639 43.639 42.101 1.538 17811 5546 1 6 . 1 1 97 97 LEU H H 97 8.774 8.774 8.529 0.245 17811 5547 1 6 . 1 1 98 98 ASP N N 98 114.282 114.282 119.416 -5.134 17811 5548 1 6 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.520 -0.055 17811 5549 1 6 . 1 1 98 98 ASP C C 98 175.339 175.339 176.234 -0.895 17811 5550 1 6 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.703 -0.733 17811 5551 1 6 . 1 1 98 98 ASP CB C 98 40.625 40.625 40.905 -0.280 17811 5552 1 6 . 1 1 98 98 ASP H H 98 8.729 8.729 8.475 0.254 17811 5553 1 6 . 1 1 99 99 ILE N N 99 116.163 116.163 118.815 -2.652 17811 5554 1 6 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.349 -0.463 17811 5555 1 6 . 1 1 99 99 ILE C C 99 174.044 174.044 174.374 -0.330 17811 5556 1 6 . 1 1 99 99 ILE CA C 99 59.394 59.394 58.455 0.939 17811 5557 1 6 . 1 1 99 99 ILE CB C 99 40.968 40.968 40.952 0.016 17811 5558 1 6 . 1 1 99 99 ILE H H 99 7.149 7.149 7.342 -0.193 17811 5559 1 6 . 1 1 100 100 ASP N N 100 122.370 122.370 122.746 -0.376 17811 5560 1 6 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.593 -0.292 17811 5561 1 6 . 1 1 100 100 ASP C C 100 175.321 175.321 175.396 -0.075 17811 5562 1 6 . 1 1 100 100 ASP CA C 100 55.216 55.216 53.598 1.618 17811 5563 1 6 . 1 1 100 100 ASP CB C 100 41.584 41.584 41.728 -0.144 17811 5564 1 6 . 1 1 100 100 ASP H H 100 8.109 8.109 8.529 -0.420 17811 5565 1 6 . 1 1 101 101 PHE N N 101 119.674 119.674 121.868 -2.194 17811 5566 1 6 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.744 -0.711 17811 5567 1 6 . 1 1 101 101 PHE C C 101 176.654 176.654 176.393 0.261 17811 5568 1 6 . 1 1 101 101 PHE CA C 101 59.463 59.463 58.825 0.638 17811 5569 1 6 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.364 -0.039 17811 5570 1 6 . 1 1 101 101 PHE H H 101 8.598 8.598 8.568 0.030 17811 5571 1 6 . 1 1 102 102 GLY N N 102 116.800 116.800 114.292 2.508 17811 5572 1 6 . 1 1 102 102 GLY C C 102 172.749 172.749 172.824 -0.075 17811 5573 1 6 . 1 1 102 102 GLY CA C 102 45.215 45.215 44.992 0.223 17811 5574 1 6 . 1 1 102 102 GLY H H 102 8.550 8.550 8.407 0.143 17811 5575 1 6 . 1 1 103 103 ARG N N 103 118.304 118.304 118.599 -0.295 17811 5576 1 6 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.764 -0.226 17811 5577 1 6 . 1 1 103 103 ARG C C 103 175.114 175.114 173.757 1.357 17811 5578 1 6 . 1 1 103 103 ARG CA C 103 54.736 54.736 54.963 -0.227 17811 5579 1 6 . 1 1 103 103 ARG CB C 103 31.310 31.310 32.024 -0.714 17811 5580 1 6 . 1 1 103 103 ARG H H 103 7.730 7.730 7.656 0.074 17811 5581 1 6 . 1 1 104 104 ILE N N 104 122.440 122.440 116.787 5.653 17811 5582 1 6 . 1 1 104 104 ILE HA H 104 4.971 4.971 4.663 0.308 17811 5583 1 6 . 1 1 104 104 ILE C C 104 175.884 175.884 174.504 1.380 17811 5584 1 6 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.757 0.048 17811 5585 1 6 . 1 1 104 104 ILE CB C 104 40.968 40.968 41.305 -0.337 17811 5586 1 6 . 1 1 104 104 ILE H H 104 8.687 8.687 8.409 0.278 17811 5587 1 6 . 1 1 105 105 ARG N N 105 124.391 124.391 119.079 5.312 17811 5588 1 6 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.852 0.050 17811 5589 1 6 . 1 1 105 105 ARG C C 105 174.157 174.157 173.945 0.212 17811 5590 1 6 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.760 -2.846 17811 5591 1 6 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.745 0.852 17811 5592 1 6 . 1 1 105 105 ARG H H 105 9.025 9.025 8.037 0.988 17811 5593 1 6 . 1 1 106 106 LEU N N 106 123.612 123.612 123.146 0.466 17811 5594 1 6 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.686 0.845 17811 5595 1 6 . 1 1 106 106 LEU C C 106 178.303 178.303 175.907 2.396 17811 5596 1 6 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.304 -1.143 17811 5597 1 6 . 1 1 106 106 LEU CB C 106 45.420 45.420 44.149 1.271 17811 5598 1 6 . 1 1 106 106 LEU H H 106 11.263 11.263 8.578 2.685 17811 5599 1 6 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.699 -0.623 17811 5600 1 6 . 1 1 107 107 LYS C C 107 175.241 175.241 174.886 0.355 17811 5601 1 6 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.594 0.825 17811 5602 1 6 . 1 1 107 107 LYS CB C 107 38.913 38.913 35.785 3.128 17811 5603 1 6 . 1 1 108 108 LEU N N 108 125.733 125.733 127.853 -2.120 17811 5604 1 6 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.418 0.245 17811 5605 1 6 . 1 1 108 108 LEU C C 108 176.152 176.152 176.069 0.083 17811 5606 1 6 . 1 1 108 108 LEU CA C 108 54.325 54.325 55.003 -0.678 17811 5607 1 6 . 1 1 108 108 LEU CB C 108 42.374 42.374 40.927 1.447 17811 5608 1 6 . 1 1 108 108 LEU H H 108 8.488 8.488 8.908 -0.420 17811 5609 1 6 . 1 1 109 109 GLY N N 109 113.088 113.088 110.216 2.872 17811 5610 1 6 . 1 1 109 109 GLY C C 109 171.829 171.829 172.360 -0.531 17811 5611 1 6 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.056 -0.596 17811 5612 1 6 . 1 1 109 109 GLY H H 109 7.427 7.427 8.157 -0.730 17811 5613 1 6 . 1 1 110 110 GLY N N 110 102.747 102.747 107.791 -5.044 17811 5614 1 6 . 1 1 110 110 GLY C C 110 174.538 174.538 173.062 1.476 17811 5615 1 6 . 1 1 110 110 GLY CA C 110 44.050 44.050 45.627 -1.577 17811 5616 1 6 . 1 1 110 110 GLY H H 110 7.685 7.685 8.208 -0.523 17811 5617 1 6 . 1 1 111 111 GLY N N 111 117.376 117.376 111.482 5.894 17811 5618 1 6 . 1 1 111 111 GLY C C 111 172.020 172.020 172.913 -0.893 17811 5619 1 6 . 1 1 111 111 GLY CA C 111 43.845 43.845 45.847 -2.002 17811 5620 1 6 . 1 1 111 111 GLY H H 111 8.252 8.252 8.408 -0.156 17811 5621 1 6 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.452 -0.258 17811 5622 1 6 . 1 1 112 112 GLU C C 112 177.997 177.997 176.667 1.330 17811 5623 1 6 . 1 1 112 112 GLU CA C 112 57.202 57.202 55.502 1.700 17811 5624 1 6 . 1 1 112 112 GLU CB C 112 29.489 29.489 31.529 -2.039 17811 5625 1 6 . 1 1 113 113 GLY N N 113 110.029 110.029 114.292 -4.263 17811 5626 1 6 . 1 1 113 113 GLY C C 113 175.583 175.583 174.888 0.695 17811 5627 1 6 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.945 1.051 17811 5628 1 6 . 1 1 113 113 GLY H H 113 8.638 8.638 8.581 0.057 17811 5629 1 6 . 1 1 114 114 GLY N N 114 107.830 107.830 112.088 -4.258 17811 5630 1 6 . 1 1 114 114 GLY C C 114 173.838 173.838 174.458 -0.620 17811 5631 1 6 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.221 1.131 17811 5632 1 6 . 1 1 114 114 GLY H H 114 8.579 8.579 8.089 0.490 17811 5633 1 6 . 1 1 115 115 HIS N N 115 122.890 122.890 125.125 -2.235 17811 5634 1 6 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.155 0.548 17811 5635 1 6 . 1 1 115 115 HIS C C 115 176.520 176.520 176.493 0.027 17811 5636 1 6 . 1 1 115 115 HIS CA C 115 57.956 57.956 61.019 -3.063 17811 5637 1 6 . 1 1 115 115 HIS CB C 115 32.405 32.405 30.407 1.998 17811 5638 1 6 . 1 1 115 115 HIS H H 115 7.830 7.830 8.058 -0.228 17811 5639 1 6 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.559 -0.263 17811 5640 1 6 . 1 1 116 116 ASN C C 116 178.246 178.246 177.384 0.862 17811 5641 1 6 . 1 1 116 116 ASN CA C 116 56.380 56.380 55.560 0.820 17811 5642 1 6 . 1 1 116 116 ASN CB C 116 36.721 36.721 37.425 -0.704 17811 5643 1 6 . 1 1 117 117 GLY N N 117 113.570 113.570 109.231 4.339 17811 5644 1 6 . 1 1 117 117 GLY C C 117 175.114 175.114 176.123 -1.009 17811 5645 1 6 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.721 0.686 17811 5646 1 6 . 1 1 117 117 GLY H H 117 9.245 9.245 8.468 0.777 17811 5647 1 6 . 1 1 118 118 LEU N N 118 123.746 123.746 119.544 4.202 17811 5648 1 6 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.113 -0.277 17811 5649 1 6 . 1 1 118 118 LEU C C 118 179.150 179.150 178.623 0.527 17811 5650 1 6 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.431 1.662 17811 5651 1 6 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.823 0.515 17811 5652 1 6 . 1 1 118 118 LEU H H 118 8.133 8.133 8.055 0.078 17811 5653 1 6 . 1 1 119 119 ARG N N 119 117.495 117.495 119.168 -1.673 17811 5654 1 6 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.064 -0.003 17811 5655 1 6 . 1 1 119 119 ARG C C 119 178.400 178.400 178.687 -0.287 17811 5656 1 6 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.071 1.666 17811 5657 1 6 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.566 0.922 17811 5658 1 6 . 1 1 119 119 ARG H H 119 8.234 8.234 7.439 0.795 17811 5659 1 6 . 1 1 120 120 SER N N 120 112.769 112.769 116.345 -3.576 17811 5660 1 6 . 1 1 120 120 SER HA H 120 4.218 4.218 4.156 0.062 17811 5661 1 6 . 1 1 120 120 SER C C 120 178.568 178.568 176.643 1.925 17811 5662 1 6 . 1 1 120 120 SER CA C 120 60.901 60.901 61.773 -0.872 17811 5663 1 6 . 1 1 120 120 SER CB C 120 63.367 63.367 62.870 0.497 17811 5664 1 6 . 1 1 120 120 SER H H 120 7.283 7.283 8.695 -1.412 17811 5665 1 6 . 1 1 121 121 VAL N N 121 120.291 120.291 121.361 -1.070 17811 5666 1 6 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.816 -0.557 17811 5667 1 6 . 1 1 121 121 VAL C C 121 176.485 176.485 177.759 -1.274 17811 5668 1 6 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.143 2.951 17811 5669 1 6 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.070 0.514 17811 5670 1 6 . 1 1 121 121 VAL H H 121 8.263 8.263 7.385 0.878 17811 5671 1 6 . 1 1 122 122 ALA N N 122 120.702 120.702 122.580 -1.878 17811 5672 1 6 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.285 0.200 17811 5673 1 6 . 1 1 122 122 ALA C C 122 181.178 181.178 179.897 1.281 17811 5674 1 6 . 1 1 122 122 ALA CA C 122 55.284 55.284 54.638 0.646 17811 5675 1 6 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.331 0.238 17811 5676 1 6 . 1 1 122 122 ALA H H 122 8.708 8.708 7.454 1.254 17811 5677 1 6 . 1 1 123 123 SER N N 123 113.198 113.198 114.453 -1.255 17811 5678 1 6 . 1 1 123 123 SER HA H 123 4.049 4.049 4.102 -0.053 17811 5679 1 6 . 1 1 123 123 SER C C 123 176.672 176.672 176.494 0.178 17811 5680 1 6 . 1 1 123 123 SER CA C 123 61.312 61.312 61.377 -0.065 17811 5681 1 6 . 1 1 123 123 SER CB C 123 62.888 62.888 63.074 -0.186 17811 5682 1 6 . 1 1 123 123 SER H H 123 8.137 8.137 8.420 -0.283 17811 5683 1 6 . 1 1 124 124 ALA N N 124 122.798 122.798 122.865 -0.067 17811 5684 1 6 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.104 0.032 17811 5685 1 6 . 1 1 124 124 ALA C C 124 180.052 180.052 179.510 0.542 17811 5686 1 6 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.454 0.214 17811 5687 1 6 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.758 1.112 17811 5688 1 6 . 1 1 124 124 ALA H H 124 7.692 7.692 7.575 0.117 17811 5689 1 6 . 1 1 125 125 LEU N N 125 114.359 114.359 115.147 -0.788 17811 5690 1 6 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.266 -0.075 17811 5691 1 6 . 1 1 125 125 LEU C C 125 178.024 178.024 177.698 0.326 17811 5692 1 6 . 1 1 125 125 LEU CA C 125 55.490 55.490 55.386 0.104 17811 5693 1 6 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.359 0.595 17811 5694 1 6 . 1 1 125 125 LEU H H 125 8.219 8.219 7.647 0.572 17811 5695 1 6 . 1 1 126 126 GLY N N 126 106.746 106.746 107.636 -0.890 17811 5696 1 6 . 1 1 126 126 GLY C C 126 173.124 173.124 174.146 -1.022 17811 5697 1 6 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.508 0.049 17811 5698 1 6 . 1 1 126 126 GLY H H 126 7.910 7.910 8.128 -0.218 17811 5699 1 6 . 1 1 127 127 THR N N 127 112.372 112.372 112.040 0.332 17811 5700 1 6 . 1 1 127 127 THR HA H 127 4.586 4.586 4.496 0.090 17811 5701 1 6 . 1 1 127 127 THR C C 127 170.252 170.252 173.472 -3.220 17811 5702 1 6 . 1 1 127 127 THR CA C 127 59.463 59.463 60.796 -1.333 17811 5703 1 6 . 1 1 127 127 THR CB C 127 67.751 67.751 70.255 -2.504 17811 5704 1 6 . 1 1 127 127 THR H H 127 7.611 7.611 7.312 0.299 17811 5705 1 6 . 1 1 128 128 LYS N N 128 120.933 120.933 121.069 -0.136 17811 5706 1 6 . 1 1 128 128 LYS HA H 128 4.314 4.314 3.902 0.412 17811 5707 1 6 . 1 1 128 128 LYS C C 128 178.400 178.400 177.358 1.042 17811 5708 1 6 . 1 1 128 128 LYS CA C 128 56.038 56.038 59.081 -3.043 17811 5709 1 6 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.334 0.414 17811 5710 1 6 . 1 1 128 128 LYS H H 128 8.075 8.075 8.540 -0.465 17811 5711 1 6 . 1 1 129 129 ASN N N 129 124.675 124.675 115.176 9.499 17811 5712 1 6 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.045 0.259 17811 5713 1 6 . 1 1 129 129 ASN C C 129 171.284 171.284 173.880 -2.596 17811 5714 1 6 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.043 1.077 17811 5715 1 6 . 1 1 129 129 ASN CB C 129 37.063 37.063 37.530 -0.467 17811 5716 1 6 . 1 1 129 129 ASN H H 129 8.736 8.736 8.277 0.459 17811 5717 1 6 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.249 0.842 17811 5718 1 6 . 1 1 131 131 HIS C C 131 175.397 175.397 173.824 1.573 17811 5719 1 6 . 1 1 131 131 HIS CA C 131 60.148 60.148 56.483 3.665 17811 5720 1 6 . 1 1 131 131 HIS CB C 131 30.967 30.967 28.779 2.188 17811 5721 1 6 . 1 1 132 132 ARG N N 132 119.440 119.440 121.189 -1.749 17811 5722 1 6 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.663 1.286 17811 5723 1 6 . 1 1 132 132 ARG C C 132 174.945 174.945 174.787 0.158 17811 5724 1 6 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.371 0.187 17811 5725 1 6 . 1 1 132 132 ARG CB C 132 32.679 32.679 32.482 0.197 17811 5726 1 6 . 1 1 132 132 ARG H H 132 9.525 9.525 8.071 1.454 17811 5727 1 6 . 1 1 133 133 VAL N N 133 124.107 124.107 125.159 -1.052 17811 5728 1 6 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.401 -0.294 17811 5729 1 6 . 1 1 133 133 VAL C C 133 172.805 172.805 174.630 -1.825 17811 5730 1 6 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.817 0.660 17811 5731 1 6 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.264 0.141 17811 5732 1 6 . 1 1 133 133 VAL H H 133 8.669 8.669 9.097 -0.428 17811 5733 1 6 . 1 1 134 134 ARG N N 134 123.782 123.782 127.473 -3.691 17811 5734 1 6 . 1 1 134 134 ARG HA H 134 3.624 3.624 5.348 -1.724 17811 5735 1 6 . 1 1 134 134 ARG C C 134 174.964 174.964 175.025 -0.061 17811 5736 1 6 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.439 -0.525 17811 5737 1 6 . 1 1 134 134 ARG CB C 134 32.063 32.063 32.500 -0.437 17811 5738 1 6 . 1 1 134 134 ARG H H 134 8.822 8.822 7.973 0.849 17811 5739 1 6 . 1 1 135 135 ILE N N 135 122.618 122.618 124.945 -2.327 17811 5740 1 6 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.343 -0.043 17811 5741 1 6 . 1 1 135 135 ILE C C 135 175.809 175.809 175.583 0.226 17811 5742 1 6 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.087 0.540 17811 5743 1 6 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.273 0.160 17811 5744 1 6 . 1 1 135 135 ILE H H 135 8.532 8.532 8.684 -0.152 17811 5745 1 6 . 1 1 136 136 GLY N N 136 116.268 116.268 116.240 0.028 17811 5746 1 6 . 1 1 136 136 GLY C C 136 175.302 175.302 175.061 0.241 17811 5747 1 6 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.872 2.562 17811 5748 1 6 . 1 1 136 136 GLY H H 136 9.240 9.240 8.835 0.405 17811 5749 1 6 . 1 1 137 137 VAL N N 137 111.669 111.669 120.967 -9.298 17811 5750 1 6 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.194 1.001 17811 5751 1 6 . 1 1 137 137 VAL C C 137 176.691 176.691 175.394 1.297 17811 5752 1 6 . 1 1 137 137 VAL CA C 137 60.216 60.216 60.643 -0.427 17811 5753 1 6 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.568 1.276 17811 5754 1 6 . 1 1 137 137 VAL H H 137 8.370 8.370 8.318 0.052 17811 5755 1 6 . 1 1 138 138 GLY N N 138 111.577 111.577 108.662 2.915 17811 5756 1 6 . 1 1 138 138 GLY C C 138 169.895 169.895 172.123 -2.228 17811 5757 1 6 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.962 0.527 17811 5758 1 6 . 1 1 138 138 GLY H H 138 8.524 8.524 7.651 0.873 17811 5759 1 6 . 1 1 139 139 ARG N N 139 112.983 112.983 121.688 -8.705 17811 5760 1 6 . 1 1 139 139 ARG HA H 139 4.385 4.385 5.345 -0.960 17811 5761 1 6 . 1 1 139 139 ARG C C 139 175.133 175.133 174.239 0.894 17811 5762 1 6 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.483 -0.322 17811 5763 1 6 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.390 -0.724 17811 5764 1 6 . 1 1 139 139 ARG H H 139 7.603 7.603 8.463 -0.860 17811 5765 1 6 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.488 0.145 17811 5766 1 6 . 1 1 141 141 PRO C C 141 176.503 176.503 176.457 0.046 17811 5767 1 6 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.704 0.252 17811 5768 1 6 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.627 0.326 17811 5769 1 6 . 1 1 142 142 GLY N N 142 107.144 107.144 107.828 -0.684 17811 5770 1 6 . 1 1 142 142 GLY C C 142 175.076 175.076 174.286 0.790 17811 5771 1 6 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.324 -0.794 17811 5772 1 6 . 1 1 142 142 GLY H H 142 8.228 8.228 7.678 0.550 17811 5773 1 6 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.382 -0.117 17811 5774 1 6 . 1 1 143 143 ARG C C 143 175.848 175.848 176.471 -0.623 17811 5775 1 6 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.809 -1.388 17811 5776 1 6 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.875 -1.757 17811 5777 1 6 . 1 1 144 144 LYS N N 144 121.850 121.850 121.627 0.223 17811 5778 1 6 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.356 -0.297 17811 5779 1 6 . 1 1 144 144 LYS C C 144 175.152 175.152 175.771 -0.619 17811 5780 1 6 . 1 1 144 144 LYS CA C 144 56.312 56.312 55.528 0.784 17811 5781 1 6 . 1 1 144 144 LYS CB C 144 32.611 32.611 32.743 -0.132 17811 5782 1 6 . 1 1 144 144 LYS H H 144 7.542 7.542 7.885 -0.343 17811 5783 1 6 . 1 1 145 145 ASP N N 145 126.413 126.413 123.569 2.844 17811 5784 1 6 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.795 -0.092 17811 5785 1 6 . 1 1 145 145 ASP C C 145 176.208 176.208 175.866 0.342 17811 5786 1 6 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.486 -0.147 17811 5787 1 6 . 1 1 145 145 ASP CB C 145 42.406 42.406 40.513 1.893 17811 5788 1 6 . 1 1 145 145 ASP H H 145 8.507 8.507 8.408 0.099 17811 5789 1 6 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.507 0.166 17811 5790 1 6 . 1 1 146 146 PRO C C 146 177.555 177.555 176.952 0.603 17811 5791 1 6 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.026 0.602 17811 5792 1 6 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.533 1.009 17811 5793 1 6 . 1 1 147 147 ALA N N 147 119.068 119.068 118.773 0.295 17811 5794 1 6 . 1 1 147 147 ALA HA H 147 3.996 3.996 3.890 0.106 17811 5795 1 6 . 1 1 147 147 ALA C C 147 179.236 179.236 178.660 0.576 17811 5796 1 6 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.124 0.475 17811 5797 1 6 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.309 0.054 17811 5798 1 6 . 1 1 147 147 ALA H H 147 8.161 8.161 7.650 0.511 17811 5799 1 6 . 1 1 148 148 ALA N N 148 118.488 118.488 120.262 -1.774 17811 5800 1 6 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.218 -0.051 17811 5801 1 6 . 1 1 148 148 ALA C C 148 180.397 180.397 179.386 1.011 17811 5802 1 6 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.941 0.247 17811 5803 1 6 . 1 1 148 148 ALA CB C 148 18.774 18.774 18.711 0.063 17811 5804 1 6 . 1 1 148 148 ALA H H 148 7.210 7.210 7.526 -0.316 17811 5805 1 6 . 1 1 149 149 PHE N N 149 118.247 118.247 117.302 0.945 17811 5806 1 6 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.496 -0.358 17811 5807 1 6 . 1 1 149 149 PHE C C 149 178.080 178.080 177.161 0.919 17811 5808 1 6 . 1 1 149 149 PHE CA C 149 60.353 60.353 59.357 0.996 17811 5809 1 6 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.173 1.658 17811 5810 1 6 . 1 1 149 149 PHE H H 149 8.099 8.099 7.290 0.809 17811 5811 1 6 . 1 1 150 150 VAL N N 150 107.786 107.786 120.429 -12.643 17811 5812 1 6 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.891 -0.054 17811 5813 1 6 . 1 1 150 150 VAL C C 150 174.757 174.757 176.077 -1.320 17811 5814 1 6 . 1 1 150 150 VAL CA C 150 63.847 63.847 62.825 1.022 17811 5815 1 6 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.016 -0.254 17811 5816 1 6 . 1 1 150 150 VAL H H 150 7.587 7.587 7.855 -0.268 17811 5817 1 6 . 1 1 151 151 LEU N N 151 118.783 118.783 118.160 0.623 17811 5818 1 6 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.285 0.190 17811 5819 1 6 . 1 1 151 151 LEU C C 151 174.926 174.926 176.214 -1.288 17811 5820 1 6 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.291 -1.582 17811 5821 1 6 . 1 1 151 151 LEU CB C 151 41.036 41.036 41.060 -0.024 17811 5822 1 6 . 1 1 151 151 LEU H H 151 6.914 6.914 7.712 -0.798 17811 5823 1 6 . 1 1 152 152 GLU N N 152 118.356 118.356 113.845 4.511 17811 5824 1 6 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.489 -0.164 17811 5825 1 6 . 1 1 152 152 GLU C C 152 175.752 175.752 175.184 0.568 17811 5826 1 6 . 1 1 152 152 GLU CA C 152 54.599 54.599 54.961 -0.362 17811 5827 1 6 . 1 1 152 152 GLU CB C 152 31.995 31.995 32.325 -0.330 17811 5828 1 6 . 1 1 152 152 GLU H H 152 6.823 6.823 7.416 -0.593 17811 5829 1 6 . 1 1 153 153 ASN N N 153 116.805 116.805 118.428 -1.623 17811 5830 1 6 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.424 0.179 17811 5831 1 6 . 1 1 153 153 ASN C C 153 175.734 175.734 173.337 2.397 17811 5832 1 6 . 1 1 153 153 ASN CA C 153 52.750 52.750 55.213 -2.463 17811 5833 1 6 . 1 1 153 153 ASN CB C 153 38.844 38.844 38.688 0.156 17811 5834 1 6 . 1 1 153 153 ASN H H 153 8.064 8.064 8.294 -0.230 17811 5835 1 6 . 1 1 154 154 PHE N N 154 116.744 116.744 114.123 2.621 17811 5836 1 6 . 1 1 154 154 PHE HA H 154 4.325 4.325 4.771 -0.446 17811 5837 1 6 . 1 1 154 154 PHE C C 154 177.142 177.142 173.811 3.331 17811 5838 1 6 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.891 3.257 17811 5839 1 6 . 1 1 154 154 PHE CB C 154 38.776 38.776 41.058 -2.282 17811 5840 1 6 . 1 1 154 154 PHE H H 154 7.410 7.410 7.755 -0.345 17811 5841 1 6 . 1 1 155 155 THR N N 155 113.714 113.714 118.049 -4.335 17811 5842 1 6 . 1 1 155 155 THR HA H 155 4.691 4.691 4.682 0.009 17811 5843 1 6 . 1 1 155 155 THR C C 155 174.870 174.870 174.781 0.089 17811 5844 1 6 . 1 1 155 155 THR CA C 155 61.648 61.648 61.046 0.602 17811 5845 1 6 . 1 1 155 155 THR CB C 155 70.697 70.697 70.418 0.279 17811 5846 1 6 . 1 1 155 155 THR H H 155 9.356 9.356 9.133 0.223 17811 5847 1 6 . 1 1 156 156 ALA N N 156 122.937 122.937 131.313 -8.376 17811 5848 1 6 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.153 0.186 17811 5849 1 6 . 1 1 156 156 ALA C C 156 180.132 180.132 179.185 0.947 17811 5850 1 6 . 1 1 156 156 ALA CA C 156 56.106 56.106 55.272 0.834 17811 5851 1 6 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.437 -0.485 17811 5852 1 6 . 1 1 156 156 ALA H H 156 8.931 8.931 9.115 -0.184 17811 5853 1 6 . 1 1 157 157 ALA N N 157 118.892 118.892 120.610 -1.718 17811 5854 1 6 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.164 0.003 17811 5855 1 6 . 1 1 157 157 ALA C C 157 181.009 181.009 180.174 0.835 17811 5856 1 6 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.899 -0.231 17811 5857 1 6 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.395 0.105 17811 5858 1 6 . 1 1 157 157 ALA H H 157 8.248 8.248 8.361 -0.113 17811 5859 1 6 . 1 1 158 158 GLU N N 158 118.304 118.304 117.896 0.408 17811 5860 1 6 . 1 1 158 158 GLU HA H 158 3.778 3.778 4.271 -0.493 17811 5861 1 6 . 1 1 158 158 GLU C C 158 179.920 179.920 178.961 0.959 17811 5862 1 6 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.364 -0.066 17811 5863 1 6 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.863 1.899 17811 5864 1 6 . 1 1 158 158 GLU H H 158 7.486 7.486 8.006 -0.520 17811 5865 1 6 . 1 1 159 159 ARG N N 159 118.363 118.363 120.448 -2.085 17811 5866 1 6 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.220 -0.517 17811 5867 1 6 . 1 1 159 159 ARG C C 159 177.793 177.793 178.157 -0.364 17811 5868 1 6 . 1 1 159 159 ARG CA C 159 59.763 59.763 58.694 1.069 17811 5869 1 6 . 1 1 159 159 ARG CB C 159 30.419 30.419 30.177 0.242 17811 5870 1 6 . 1 1 159 159 ARG H H 159 9.117 9.117 8.570 0.547 17811 5871 1 6 . 1 1 160 160 ALA N N 160 118.334 118.334 122.026 -3.692 17811 5872 1 6 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.203 -0.021 17811 5873 1 6 . 1 1 160 160 ALA C C 160 178.512 178.512 179.219 -0.707 17811 5874 1 6 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.909 -0.584 17811 5875 1 6 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.491 0.283 17811 5876 1 6 . 1 1 160 160 ALA H H 160 7.227 7.227 7.610 -0.383 17811 5877 1 6 . 1 1 161 161 GLU N N 161 114.910 114.910 116.079 -1.169 17811 5878 1 6 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.268 0.275 17811 5879 1 6 . 1 1 161 161 GLU C C 161 177.085 177.085 177.911 -0.826 17811 5880 1 6 . 1 1 161 161 GLU CA C 161 56.243 56.243 56.588 -0.345 17811 5881 1 6 . 1 1 161 161 GLU CB C 161 31.926 31.926 28.841 3.085 17811 5882 1 6 . 1 1 161 161 GLU H H 161 7.705 7.705 7.840 -0.135 17811 5883 1 6 . 1 1 162 162 VAL N N 162 120.126 120.126 121.500 -1.374 17811 5884 1 6 . 1 1 162 162 VAL HA H 162 4.153 4.153 4.042 0.111 17811 5885 1 6 . 1 1 162 162 VAL C C 162 173.208 173.208 175.327 -2.119 17811 5886 1 6 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.880 -0.101 17811 5887 1 6 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.273 0.941 17811 5888 1 6 . 1 1 162 162 VAL H H 162 7.509 7.509 7.391 0.118 17811 5889 1 6 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.231 -0.073 17811 5890 1 6 . 1 1 163 163 PRO C C 163 179.146 179.146 178.739 0.407 17811 5891 1 6 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.528 0.196 17811 5892 1 6 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.243 -0.481 17811 5893 1 6 . 1 1 164 164 THR N N 164 113.503 113.503 115.040 -1.537 17811 5894 1 6 . 1 1 164 164 THR HA H 164 4.295 4.295 4.059 0.236 17811 5895 1 6 . 1 1 164 164 THR C C 164 175.696 175.696 176.522 -0.826 17811 5896 1 6 . 1 1 164 164 THR CA C 164 66.244 66.244 66.663 -0.419 17811 5897 1 6 . 1 1 164 164 THR CB C 164 68.710 68.710 68.495 0.215 17811 5898 1 6 . 1 1 164 164 THR H H 164 7.260 7.260 7.788 -0.528 17811 5899 1 6 . 1 1 165 165 ILE N N 165 124.266 124.266 122.981 1.285 17811 5900 1 6 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.856 -0.131 17811 5901 1 6 . 1 1 165 165 ILE C C 165 177.949 177.949 177.398 0.551 17811 5902 1 6 . 1 1 165 165 ILE CA C 165 65.148 65.148 63.194 1.954 17811 5903 1 6 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.906 0.527 17811 5904 1 6 . 1 1 165 165 ILE H H 165 7.781 7.781 8.405 -0.624 17811 5905 1 6 . 1 1 166 166 VAL N N 166 117.723 117.723 120.606 -2.883 17811 5906 1 6 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.484 0.027 17811 5907 1 6 . 1 1 166 166 VAL C C 166 178.062 178.062 177.963 0.099 17811 5908 1 6 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.334 -0.542 17811 5909 1 6 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.420 -0.042 17811 5910 1 6 . 1 1 166 166 VAL H H 166 8.605 8.605 7.932 0.673 17811 5911 1 6 . 1 1 167 167 GLU N N 167 119.572 119.572 118.336 1.236 17811 5912 1 6 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.899 -0.056 17811 5913 1 6 . 1 1 167 167 GLU C C 167 179.000 179.000 178.872 0.128 17811 5914 1 6 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.172 0.633 17811 5915 1 6 . 1 1 167 167 GLU CB C 167 29.186 29.186 28.855 0.331 17811 5916 1 6 . 1 1 167 167 GLU H H 167 7.408 7.408 7.552 -0.144 17811 5917 1 6 . 1 1 168 168 GLN N N 168 118.334 118.334 119.862 -1.528 17811 5918 1 6 . 1 1 168 168 GLN HA H 168 3.967 3.967 3.676 0.291 17811 5919 1 6 . 1 1 168 168 GLN C C 168 179.038 179.038 178.076 0.962 17811 5920 1 6 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.598 0.865 17811 5921 1 6 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.663 0.249 17811 5922 1 6 . 1 1 168 168 GLN H H 168 8.298 8.298 7.935 0.363 17811 5923 1 6 . 1 1 169 169 ALA N N 169 123.008 123.008 120.977 2.031 17811 5924 1 6 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.058 0.004 17811 5925 1 6 . 1 1 169 169 ALA C C 169 180.408 180.408 179.598 0.810 17811 5926 1 6 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.421 0.795 17811 5927 1 6 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.082 1.103 17811 5928 1 6 . 1 1 169 169 ALA H H 169 9.106 9.106 8.122 0.984 17811 5929 1 6 . 1 1 170 170 ALA N N 170 125.275 125.275 123.180 2.095 17811 5930 1 6 . 1 1 170 170 ALA HA H 170 3.930 3.930 3.958 -0.028 17811 5931 1 6 . 1 1 170 170 ALA C C 170 178.831 178.831 179.207 -0.376 17811 5932 1 6 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.995 0.974 17811 5933 1 6 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.156 -1.026 17811 5934 1 6 . 1 1 170 170 ALA H H 170 8.364 8.364 7.821 0.543 17811 5935 1 6 . 1 1 171 171 ASP N N 171 120.702 120.702 118.560 2.142 17811 5936 1 6 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.249 0.004 17811 5937 1 6 . 1 1 171 171 ASP C C 171 179.507 179.507 178.356 1.151 17811 5938 1 6 . 1 1 171 171 ASP CA C 171 57.887 57.887 57.795 0.092 17811 5939 1 6 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.535 -0.800 17811 5940 1 6 . 1 1 171 171 ASP H H 171 8.656 8.656 7.538 1.118 17811 5941 1 6 . 1 1 172 172 ALA N N 172 122.759 122.759 121.820 0.939 17811 5942 1 6 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.169 -0.229 17811 5943 1 6 . 1 1 172 172 ALA C C 172 178.137 178.137 179.822 -1.685 17811 5944 1 6 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.214 -0.204 17811 5945 1 6 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.602 1.268 17811 5946 1 6 . 1 1 172 172 ALA H H 172 9.380 9.380 7.446 1.934 17811 5947 1 6 . 1 1 173 173 THR N N 173 115.154 115.154 112.715 2.439 17811 5948 1 6 . 1 1 173 173 THR HA H 173 4.430 4.430 3.965 0.465 17811 5949 1 6 . 1 1 173 173 THR C C 173 175.940 175.940 176.681 -0.741 17811 5950 1 6 . 1 1 173 173 THR CA C 173 68.162 68.162 66.458 1.704 17811 5951 1 6 . 1 1 173 173 THR CB C 173 68.162 68.162 68.394 -0.232 17811 5952 1 6 . 1 1 173 173 THR H H 173 7.811 7.811 8.444 -0.633 17811 5953 1 6 . 1 1 174 174 GLU N N 174 118.915 118.915 122.520 -3.605 17811 5954 1 6 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.063 -0.419 17811 5955 1 6 . 1 1 174 174 GLU C C 174 178.475 178.475 178.793 -0.318 17811 5956 1 6 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.226 2.155 17811 5957 1 6 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.539 0.675 17811 5958 1 6 . 1 1 174 174 GLU H H 174 7.832 7.832 7.897 -0.065 17811 5959 1 6 . 1 1 175 175 LEU N N 175 119.457 119.457 120.899 -1.442 17811 5960 1 6 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.146 -0.197 17811 5961 1 6 . 1 1 175 175 LEU C C 175 178.268 178.268 178.129 0.139 17811 5962 1 6 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.271 0.959 17811 5963 1 6 . 1 1 175 175 LEU CB C 175 42.475 42.475 42.030 0.445 17811 5964 1 6 . 1 1 175 175 LEU H H 175 8.144 8.144 7.488 0.656 17811 5965 1 6 . 1 1 176 176 LEU N N 176 120.413 120.413 119.765 0.648 17811 5966 1 6 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.279 -0.688 17811 5967 1 6 . 1 1 176 176 LEU C C 176 177.799 177.799 178.193 -0.394 17811 5968 1 6 . 1 1 176 176 LEU CA C 176 58.093 58.093 57.245 0.848 17811 5969 1 6 . 1 1 176 176 LEU CB C 176 41.721 41.721 42.241 -0.520 17811 5970 1 6 . 1 1 176 176 LEU H H 176 7.970 7.970 7.824 0.146 17811 5971 1 6 . 1 1 177 177 ILE N N 177 115.277 115.277 115.944 -0.667 17811 5972 1 6 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.910 0.017 17811 5973 1 6 . 1 1 177 177 ILE C C 177 177.123 177.123 178.182 -1.059 17811 5974 1 6 . 1 1 177 177 ILE CA C 177 65.148 65.148 62.551 2.597 17811 5975 1 6 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.200 1.233 17811 5976 1 6 . 1 1 177 177 ILE H H 177 7.576 7.576 8.091 -0.515 17811 5977 1 6 . 1 1 178 178 ALA N N 178 118.887 118.887 123.688 -4.801 17811 5978 1 6 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.075 0.946 17811 5979 1 6 . 1 1 178 178 ALA C C 178 179.901 179.901 178.234 1.667 17811 5980 1 6 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.930 -0.262 17811 5981 1 6 . 1 1 178 178 ALA CB C 178 20.624 20.624 18.857 1.767 17811 5982 1 6 . 1 1 178 178 ALA H H 178 8.237 8.237 7.626 0.611 17811 5983 1 6 . 1 1 179 179 GLN N N 179 112.225 112.225 113.270 -1.045 17811 5984 1 6 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.470 -0.030 17811 5985 1 6 . 1 1 179 179 GLN C C 179 177.254 177.254 175.812 1.442 17811 5986 1 6 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.846 -0.220 17811 5987 1 6 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.152 -1.390 17811 5988 1 6 . 1 1 179 179 GLN H H 179 8.646 8.646 7.663 0.983 17811 5989 1 6 . 1 1 180 180 GLY N N 180 109.528 109.528 109.768 -0.240 17811 5990 1 6 . 1 1 180 180 GLY C C 180 173.095 173.095 174.036 -0.941 17811 5991 1 6 . 1 1 180 180 GLY CA C 180 43.845 43.845 44.727 -0.882 17811 5992 1 6 . 1 1 180 180 GLY H H 180 7.811 7.811 7.902 -0.091 17811 5993 1 6 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.495 -0.783 17811 5994 1 6 . 1 1 181 181 LEU C C 181 177.257 177.257 177.741 -0.484 17811 5995 1 6 . 1 1 181 181 LEU CA C 181 59.463 59.463 55.999 3.464 17811 5996 1 6 . 1 1 181 181 LEU CB C 181 42.612 42.612 41.904 0.708 17811 5997 1 6 . 1 1 182 182 GLU N N 182 116.836 116.836 120.867 -4.031 17811 5998 1 6 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.145 0.082 17811 5999 1 6 . 1 1 182 182 GLU C C 182 176.406 176.406 175.781 0.625 17811 6000 1 6 . 1 1 182 182 GLU CA C 182 61.723 61.723 61.041 0.682 17811 6001 1 6 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.235 -0.515 17811 6002 1 6 . 1 1 182 182 GLU H H 182 8.909 8.909 8.681 0.228 17811 6003 1 6 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.274 -0.037 17811 6004 1 6 . 1 1 183 183 PRO C C 183 179.992 179.992 177.819 2.173 17811 6005 1 6 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.522 -0.305 17811 6006 1 6 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.122 0.051 17811 6007 1 6 . 1 1 184 184 ALA N N 184 118.151 118.151 120.810 -2.659 17811 6008 1 6 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.094 -0.259 17811 6009 1 6 . 1 1 184 184 ALA C C 184 179.526 179.526 180.071 -0.545 17811 6010 1 6 . 1 1 184 184 ALA CA C 184 55.490 55.490 55.162 0.328 17811 6011 1 6 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.123 0.035 17811 6012 1 6 . 1 1 184 184 ALA H H 184 7.350 7.350 7.933 -0.583 17811 6013 1 6 . 1 1 185 185 GLN N N 185 118.148 118.148 117.559 0.589 17811 6014 1 6 . 1 1 185 185 GLN HA H 185 3.006 3.006 4.003 -0.997 17811 6015 1 6 . 1 1 185 185 GLN C C 185 177.555 177.555 178.291 -0.736 17811 6016 1 6 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.943 0.040 17811 6017 1 6 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.556 0.219 17811 6018 1 6 . 1 1 185 185 GLN H H 185 8.848 8.848 7.983 0.865 17811 6019 1 6 . 1 1 186 186 ASN N N 186 115.032 115.032 116.794 -1.762 17811 6020 1 6 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.682 -0.521 17811 6021 1 6 . 1 1 186 186 ASN C C 186 177.160 177.160 177.733 -0.573 17811 6022 1 6 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.448 0.590 17811 6023 1 6 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.493 -0.265 17811 6024 1 6 . 1 1 186 186 ASN H H 186 7.537 7.537 7.573 -0.036 17811 6025 1 6 . 1 1 187 187 THR N N 187 114.421 114.421 117.463 -3.042 17811 6026 1 6 . 1 1 187 187 THR HA H 187 3.864 3.864 4.176 -0.312 17811 6027 1 6 . 1 1 187 187 THR C C 187 174.739 174.739 177.038 -2.299 17811 6028 1 6 . 1 1 187 187 THR CA C 187 65.422 65.422 65.780 -0.358 17811 6029 1 6 . 1 1 187 187 THR CB C 187 69.532 69.532 69.198 0.334 17811 6030 1 6 . 1 1 187 187 THR H H 187 7.120 7.120 8.551 -1.431 17811 6031 1 6 . 1 1 188 188 VAL N N 188 119.580 119.580 119.330 0.250 17811 6032 1 6 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.242 0.143 17811 6033 1 6 . 1 1 188 188 VAL C C 188 178.043 178.043 175.961 2.082 17811 6034 1 6 . 1 1 188 188 VAL CA C 188 64.326 64.326 64.214 0.112 17811 6035 1 6 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.946 -0.088 17811 6036 1 6 . 1 1 188 188 VAL H H 188 8.333 8.333 7.962 0.371 17811 6037 1 6 . 1 1 189 189 HIS N N 189 115.949 115.949 118.008 -2.059 17811 6038 1 6 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.556 0.114 17811 6039 1 6 . 1 1 189 189 HIS C C 189 175.114 175.114 175.570 -0.456 17811 6040 1 6 . 1 1 189 189 HIS CA C 189 56.312 56.312 57.330 -1.018 17811 6041 1 6 . 1 1 189 189 HIS CB C 189 27.474 27.474 30.226 -2.752 17811 6042 1 6 . 1 1 189 189 HIS H H 189 8.674 8.674 7.540 1.134 17811 6043 1 6 . 1 1 190 190 ALA N N 190 120.346 120.346 121.042 -0.696 17811 6044 1 6 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.346 0.238 17811 6045 1 6 . 1 1 190 190 ALA C C 190 177.906 177.906 177.064 0.842 17811 6046 1 6 . 1 1 190 190 ALA CA C 190 51.791 51.791 52.069 -0.279 17811 6047 1 6 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.488 0.177 17811 6048 1 6 . 1 1 190 190 ALA H H 190 6.983 6.983 7.989 -1.006 17811 6049 1 7 . 1 1 2 2 ALA N N 2 125.183 125.183 125.568 -0.385 17811 6050 1 7 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.725 -0.548 17811 6051 1 7 . 1 1 2 2 ALA C C 2 174.029 174.029 176.874 -2.845 17811 6052 1 7 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.740 0.119 17811 6053 1 7 . 1 1 2 2 ALA CB C 2 19.596 19.596 20.362 -0.766 17811 6054 1 7 . 1 1 2 2 ALA H H 2 8.096 8.096 8.269 -0.173 17811 6055 1 7 . 1 1 3 3 GLU N N 3 113.075 113.075 121.061 -7.986 17811 6056 1 7 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.609 -0.410 17811 6057 1 7 . 1 1 3 3 GLU C C 3 175.812 175.812 174.367 1.445 17811 6058 1 7 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.164 0.339 17811 6059 1 7 . 1 1 3 3 GLU CB C 3 31.584 31.584 29.496 2.088 17811 6060 1 7 . 1 1 3 3 GLU H H 3 7.483 7.483 8.450 -0.967 17811 6061 1 7 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.484 0.291 17811 6062 1 7 . 1 1 4 4 PRO C C 4 174.213 174.213 176.283 -2.070 17811 6063 1 7 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.781 -0.510 17811 6064 1 7 . 1 1 4 4 PRO CB C 4 34.529 34.529 32.193 2.336 17811 6065 1 7 . 1 1 5 5 LEU N N 5 120.181 120.181 123.676 -3.495 17811 6066 1 7 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.464 -0.164 17811 6067 1 7 . 1 1 5 5 LEU C C 5 174.926 174.926 176.484 -1.558 17811 6068 1 7 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.479 0.709 17811 6069 1 7 . 1 1 5 5 LEU CB C 5 45.694 45.694 42.680 3.014 17811 6070 1 7 . 1 1 5 5 LEU H H 5 7.953 7.953 8.030 -0.077 17811 6071 1 7 . 1 1 6 6 LEU N N 6 124.663 124.663 126.417 -1.754 17811 6072 1 7 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.761 0.526 17811 6073 1 7 . 1 1 6 6 LEU C C 6 173.293 173.293 174.983 -1.690 17811 6074 1 7 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.539 -0.652 17811 6075 1 7 . 1 1 6 6 LEU CB C 6 45.694 45.694 43.160 2.534 17811 6076 1 7 . 1 1 6 6 LEU H H 6 8.456 8.456 8.981 -0.525 17811 6077 1 7 . 1 1 7 7 VAL N N 7 128.364 128.364 128.688 -0.324 17811 6078 1 7 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.455 0.544 17811 6079 1 7 . 1 1 7 7 VAL C C 7 174.006 174.006 174.743 -0.737 17811 6080 1 7 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.836 -1.482 17811 6081 1 7 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.206 0.492 17811 6082 1 7 . 1 1 7 7 VAL H H 7 9.456 9.456 8.933 0.523 17811 6083 1 7 . 1 1 8 8 VAL N N 8 126.000 126.000 128.191 -2.191 17811 6084 1 7 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.384 0.670 17811 6085 1 7 . 1 1 8 8 VAL C C 8 175.433 175.433 174.992 0.441 17811 6086 1 7 . 1 1 8 8 VAL CA C 8 59.737 59.737 60.760 -1.023 17811 6087 1 7 . 1 1 8 8 VAL CB C 8 35.556 35.556 31.894 3.662 17811 6088 1 7 . 1 1 8 8 VAL H H 8 9.571 9.571 8.961 0.610 17811 6089 1 7 . 1 1 9 9 GLY N N 9 112.757 112.757 114.821 -2.064 17811 6090 1 7 . 1 1 9 9 GLY C C 9 171.378 171.378 172.797 -1.419 17811 6091 1 7 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.767 1.037 17811 6092 1 7 . 1 1 9 9 GLY H H 9 8.692 8.692 8.069 0.623 17811 6093 1 7 . 1 1 10 10 LEU N N 10 119.466 119.466 124.139 -4.673 17811 6094 1 7 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.346 0.387 17811 6095 1 7 . 1 1 10 10 LEU C C 10 175.715 175.715 177.006 -1.291 17811 6096 1 7 . 1 1 10 10 LEU CA C 10 54.188 54.188 55.339 -1.151 17811 6097 1 7 . 1 1 10 10 LEU CB C 10 42.543 42.543 40.565 1.978 17811 6098 1 7 . 1 1 10 10 LEU H H 10 7.147 7.147 8.247 -1.100 17811 6099 1 7 . 1 1 11 11 GLY N N 11 109.192 109.192 112.245 -3.053 17811 6100 1 7 . 1 1 11 11 GLY C C 11 170.233 170.233 172.936 -2.703 17811 6101 1 7 . 1 1 11 11 GLY CA C 11 44.393 44.393 43.783 0.610 17811 6102 1 7 . 1 1 11 11 GLY H H 11 7.281 7.281 8.151 -0.870 17811 6103 1 7 . 1 1 12 12 ASN N N 12 115.701 115.701 116.284 -0.583 17811 6104 1 7 . 1 1 12 12 ASN HA H 12 4.762 4.762 4.894 -0.132 17811 6105 1 7 . 1 1 12 12 ASN C C 12 173.746 173.746 173.568 0.178 17811 6106 1 7 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.675 -0.734 17811 6107 1 7 . 1 1 12 12 ASN CB C 12 41.516 41.516 38.788 2.728 17811 6108 1 7 . 1 1 12 12 ASN H H 12 8.946 8.946 8.235 0.711 17811 6109 1 7 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.958 -0.543 17811 6110 1 7 . 1 1 13 13 PRO C C 13 177.498 177.498 177.568 -0.070 17811 6111 1 7 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.230 0.024 17811 6112 1 7 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.803 -0.877 17811 6113 1 7 . 1 1 14 14 GLY N N 14 108.978 108.978 106.105 2.873 17811 6114 1 7 . 1 1 14 14 GLY C C 14 174.878 174.878 173.473 1.405 17811 6115 1 7 . 1 1 14 14 GLY CA C 14 47.133 47.133 43.900 3.233 17811 6116 1 7 . 1 1 14 14 GLY H H 14 8.464 8.464 8.409 0.055 17811 6117 1 7 . 1 1 16 16 THR HA H 16 4.265 4.265 3.720 0.545 17811 6118 1 7 . 1 1 16 16 THR C C 16 175.848 175.848 176.010 -0.162 17811 6119 1 7 . 1 1 16 16 THR CA C 16 65.148 65.148 65.305 -0.157 17811 6120 1 7 . 1 1 16 16 THR CB C 16 68.505 68.505 67.127 1.378 17811 6121 1 7 . 1 1 17 17 TYR N N 17 117.133 117.133 121.472 -4.339 17811 6122 1 7 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.575 0.081 17811 6123 1 7 . 1 1 17 17 TYR C C 17 177.649 177.649 177.235 0.414 17811 6124 1 7 . 1 1 17 17 TYR CA C 17 58.367 58.367 59.951 -1.584 17811 6125 1 7 . 1 1 17 17 TYR CB C 17 39.324 39.324 38.269 1.055 17811 6126 1 7 . 1 1 17 17 TYR H H 17 7.025 7.025 8.272 -1.247 17811 6127 1 7 . 1 1 18 18 ALA N N 18 122.126 122.126 120.246 1.880 17811 6128 1 7 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.291 0.063 17811 6129 1 7 . 1 1 18 18 ALA C C 18 178.212 178.212 177.477 0.735 17811 6130 1 7 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.275 2.352 17811 6131 1 7 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.234 1.705 17811 6132 1 7 . 1 1 18 18 ALA H H 18 7.100 7.100 7.962 -0.862 17811 6133 1 7 . 1 1 19 19 LYS N N 19 115.311 115.311 119.440 -4.129 17811 6134 1 7 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.446 0.237 17811 6135 1 7 . 1 1 19 19 LYS C C 19 175.640 175.640 175.863 -0.223 17811 6136 1 7 . 1 1 19 19 LYS CA C 19 54.942 54.942 54.335 0.607 17811 6137 1 7 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.203 -0.140 17811 6138 1 7 . 1 1 19 19 LYS H H 19 8.648 8.648 7.539 1.109 17811 6139 1 7 . 1 1 20 20 THR N N 20 108.478 108.478 110.729 -2.251 17811 6140 1 7 . 1 1 20 20 THR HA H 20 4.392 4.392 4.836 -0.444 17811 6141 1 7 . 1 1 20 20 THR C C 20 175.752 175.752 175.583 0.169 17811 6142 1 7 . 1 1 20 20 THR CA C 20 60.970 60.970 60.248 0.722 17811 6143 1 7 . 1 1 20 20 THR CB C 20 72.932 72.932 71.105 1.827 17811 6144 1 7 . 1 1 20 20 THR H H 20 7.349 7.349 7.409 -0.060 17811 6145 1 7 . 1 1 21 21 ARG N N 21 117.638 117.638 119.133 -1.495 17811 6146 1 7 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.330 -0.624 17811 6147 1 7 . 1 1 21 21 ARG C C 21 177.480 177.480 176.652 0.828 17811 6148 1 7 . 1 1 21 21 ARG CA C 21 60.083 60.083 55.926 4.157 17811 6149 1 7 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.567 0.391 17811 6150 1 7 . 1 1 21 21 ARG H H 21 7.011 7.011 8.633 -1.621 17811 6151 1 7 . 1 1 22 22 HIS N N 22 115.074 115.074 116.166 -1.092 17811 6152 1 7 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.704 -0.843 17811 6153 1 7 . 1 1 22 22 HIS C C 22 173.274 173.274 175.143 -1.869 17811 6154 1 7 . 1 1 22 22 HIS CA C 22 53.434 53.434 55.899 -2.465 17811 6155 1 7 . 1 1 22 22 HIS CB C 22 29.460 29.460 30.466 -1.006 17811 6156 1 7 . 1 1 22 22 HIS H H 22 8.162 8.162 7.505 0.657 17811 6157 1 7 . 1 1 23 23 ASN N N 23 116.439 116.439 118.518 -2.079 17811 6158 1 7 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.884 -0.099 17811 6159 1 7 . 1 1 23 23 ASN C C 23 177.104 177.104 176.093 1.011 17811 6160 1 7 . 1 1 23 23 ASN CA C 23 53.024 53.024 52.702 0.322 17811 6161 1 7 . 1 1 23 23 ASN CB C 23 38.776 38.776 38.342 0.434 17811 6162 1 7 . 1 1 23 23 ASN H H 23 7.730 7.730 7.775 -0.045 17811 6163 1 7 . 1 1 24 24 LEU N N 24 123.226 123.226 118.330 4.896 17811 6164 1 7 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.298 0.048 17811 6165 1 7 . 1 1 24 24 LEU C C 24 178.681 178.681 178.334 0.347 17811 6166 1 7 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.970 1.561 17811 6167 1 7 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.895 3.087 17811 6168 1 7 . 1 1 24 24 LEU H H 24 7.939 7.939 7.506 0.433 17811 6169 1 7 . 1 1 25 25 GLY N N 25 104.146 104.146 108.503 -4.357 17811 6170 1 7 . 1 1 25 25 GLY C C 25 176.635 176.635 175.805 0.830 17811 6171 1 7 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.197 1.443 17811 6172 1 7 . 1 1 25 25 GLY H H 25 9.209 9.209 8.199 1.010 17811 6173 1 7 . 1 1 26 26 PHE N N 26 123.654 123.654 123.594 0.060 17811 6174 1 7 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.087 0.033 17811 6175 1 7 . 1 1 26 26 PHE C C 26 177.498 177.498 177.020 0.478 17811 6176 1 7 . 1 1 26 26 PHE CA C 26 58.778 58.778 61.376 -2.598 17811 6177 1 7 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.328 -2.059 17811 6178 1 7 . 1 1 26 26 PHE H H 26 7.089 7.089 7.955 -0.866 17811 6179 1 7 . 1 1 27 27 MET N N 27 117.508 117.508 117.789 -0.281 17811 6180 1 7 . 1 1 27 27 MET HA H 27 4.257 4.257 3.994 0.263 17811 6181 1 7 . 1 1 27 27 MET C C 27 179.977 179.977 178.628 1.349 17811 6182 1 7 . 1 1 27 27 MET CA C 27 59.839 59.839 57.928 1.911 17811 6183 1 7 . 1 1 27 27 MET CB C 27 33.377 33.377 31.398 1.980 17811 6184 1 7 . 1 1 27 27 MET H H 27 8.061 8.061 8.114 -0.053 17811 6185 1 7 . 1 1 28 28 VAL N N 28 119.068 119.068 119.022 0.046 17811 6186 1 7 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.664 -0.042 17811 6187 1 7 . 1 1 28 28 VAL C C 28 177.818 177.818 177.686 0.132 17811 6188 1 7 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.570 -0.600 17811 6189 1 7 . 1 1 28 28 VAL CB C 28 32.063 32.063 30.916 1.147 17811 6190 1 7 . 1 1 28 28 VAL H H 28 8.325 8.325 8.290 0.035 17811 6191 1 7 . 1 1 29 29 ALA N N 29 123.327 123.327 121.571 1.756 17811 6192 1 7 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.919 0.109 17811 6193 1 7 . 1 1 29 29 ALA C C 29 178.831 178.831 179.373 -0.542 17811 6194 1 7 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.069 0.969 17811 6195 1 7 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.030 -0.557 17811 6196 1 7 . 1 1 29 29 ALA H H 29 8.647 8.647 7.874 0.773 17811 6197 1 7 . 1 1 30 30 ASP N N 30 118.148 118.148 118.525 -0.377 17811 6198 1 7 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.516 0.163 17811 6199 1 7 . 1 1 30 30 ASP C C 30 180.089 180.089 178.222 1.867 17811 6200 1 7 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.324 0.837 17811 6201 1 7 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.984 -1.318 17811 6202 1 7 . 1 1 30 30 ASP H H 30 8.574 8.574 7.920 0.654 17811 6203 1 7 . 1 1 31 31 VAL N N 31 123.410 123.410 117.595 5.815 17811 6204 1 7 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.834 -0.039 17811 6205 1 7 . 1 1 31 31 VAL C C 31 180.070 180.070 177.629 2.441 17811 6206 1 7 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.969 0.755 17811 6207 1 7 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.245 0.339 17811 6208 1 7 . 1 1 31 31 VAL H H 31 7.482 7.482 7.618 -0.136 17811 6209 1 7 . 1 1 32 32 LEU N N 32 121.772 121.772 116.902 4.870 17811 6210 1 7 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.411 -0.545 17811 6211 1 7 . 1 1 32 32 LEU C C 32 178.249 178.249 178.485 -0.236 17811 6212 1 7 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.331 1.036 17811 6213 1 7 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.137 2.132 17811 6214 1 7 . 1 1 32 32 LEU H H 32 8.785 8.785 7.405 1.380 17811 6215 1 7 . 1 1 33 33 ALA N N 33 122.901 122.901 122.812 0.089 17811 6216 1 7 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.127 -0.517 17811 6217 1 7 . 1 1 33 33 ALA C C 33 179.808 179.808 179.787 0.021 17811 6218 1 7 . 1 1 33 33 ALA CA C 33 55.832 55.832 55.144 0.688 17811 6219 1 7 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.199 0.370 17811 6220 1 7 . 1 1 33 33 ALA H H 33 8.711 8.711 7.647 1.064 17811 6221 1 7 . 1 1 34 34 GLY N N 34 105.309 105.309 105.277 0.032 17811 6222 1 7 . 1 1 34 34 GLY C C 34 176.184 176.184 176.092 0.092 17811 6223 1 7 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.146 0.644 17811 6224 1 7 . 1 1 34 34 GLY H H 34 7.665 7.665 8.141 -0.476 17811 6225 1 7 . 1 1 35 35 ARG N N 35 121.117 121.117 119.991 1.126 17811 6226 1 7 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.181 -0.066 17811 6227 1 7 . 1 1 35 35 ARG C C 35 178.812 178.812 177.916 0.896 17811 6228 1 7 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.556 1.838 17811 6229 1 7 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.703 -0.037 17811 6230 1 7 . 1 1 35 35 ARG H H 35 7.623 7.623 7.220 0.403 17811 6231 1 7 . 1 1 36 36 ILE N N 36 120.413 120.413 116.996 3.417 17811 6232 1 7 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.013 -0.291 17811 6233 1 7 . 1 1 36 36 ILE C C 36 177.142 177.142 176.435 0.707 17811 6234 1 7 . 1 1 36 36 ILE CA C 36 64.600 64.600 61.366 3.234 17811 6235 1 7 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.546 0.230 17811 6236 1 7 . 1 1 36 36 ILE H H 36 7.950 7.950 7.560 0.390 17811 6237 1 7 . 1 1 37 37 GLY N N 37 107.419 107.419 110.035 -2.616 17811 6238 1 7 . 1 1 37 37 GLY C C 37 174.307 174.307 174.375 -0.068 17811 6239 1 7 . 1 1 37 37 GLY CA C 37 45.420 45.420 45.035 0.385 17811 6240 1 7 . 1 1 37 37 GLY H H 37 8.305 8.305 7.646 0.659 17811 6241 1 7 . 1 1 38 38 SER N N 38 113.320 113.320 115.520 -2.200 17811 6242 1 7 . 1 1 38 38 SER HA H 38 4.683 4.683 4.828 -0.145 17811 6243 1 7 . 1 1 38 38 SER C C 38 171.472 171.472 172.545 -1.073 17811 6244 1 7 . 1 1 38 38 SER CA C 38 56.654 56.654 57.667 -1.013 17811 6245 1 7 . 1 1 38 38 SER CB C 38 66.244 66.244 66.475 -0.231 17811 6246 1 7 . 1 1 38 38 SER H H 38 7.101 7.101 7.745 -0.644 17811 6247 1 7 . 1 1 39 39 ALA N N 39 123.838 123.838 125.317 -1.479 17811 6248 1 7 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.687 -0.285 17811 6249 1 7 . 1 1 39 39 ALA C C 39 177.708 177.708 175.525 2.183 17811 6250 1 7 . 1 1 39 39 ALA CA C 39 50.695 50.695 51.689 -0.994 17811 6251 1 7 . 1 1 39 39 ALA CB C 39 20.624 20.624 21.625 -1.002 17811 6252 1 7 . 1 1 39 39 ALA H H 39 8.032 8.032 8.416 -0.384 17811 6253 1 7 . 1 1 40 40 PHE N N 40 118.117 118.117 117.719 0.398 17811 6254 1 7 . 1 1 40 40 PHE HA H 40 4.039 4.039 5.393 -1.354 17811 6255 1 7 . 1 1 40 40 PHE C C 40 176.672 176.672 174.572 2.100 17811 6256 1 7 . 1 1 40 40 PHE CA C 40 59.942 59.942 55.807 4.135 17811 6257 1 7 . 1 1 40 40 PHE CB C 40 40.694 40.694 41.232 -0.538 17811 6258 1 7 . 1 1 40 40 PHE H H 40 8.066 8.066 7.862 0.204 17811 6259 1 7 . 1 1 41 41 LYS N N 41 120.915 120.915 118.796 2.119 17811 6260 1 7 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.750 0.012 17811 6261 1 7 . 1 1 41 41 LYS C C 41 176.034 176.034 174.673 1.361 17811 6262 1 7 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.491 0.245 17811 6263 1 7 . 1 1 41 41 LYS CB C 41 36.310 36.310 35.431 0.879 17811 6264 1 7 . 1 1 41 41 LYS H H 41 8.593 8.593 8.535 0.058 17811 6265 1 7 . 1 1 42 42 VAL N N 42 123.504 123.504 122.667 0.837 17811 6266 1 7 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.131 -0.299 17811 6267 1 7 . 1 1 42 42 VAL C C 42 175.377 175.377 175.547 -0.170 17811 6268 1 7 . 1 1 42 42 VAL CA C 42 64.874 64.874 63.492 1.381 17811 6269 1 7 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.947 -0.021 17811 6270 1 7 . 1 1 42 42 VAL H H 42 8.707 8.707 8.632 0.075 17811 6271 1 7 . 1 1 43 43 HIS N N 43 132.195 132.195 127.653 4.542 17811 6272 1 7 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.710 -0.185 17811 6273 1 7 . 1 1 43 43 HIS C C 43 175.104 175.104 174.014 1.090 17811 6274 1 7 . 1 1 43 43 HIS CA C 43 56.106 56.106 55.366 0.740 17811 6275 1 7 . 1 1 43 43 HIS CB C 43 31.721 31.721 33.375 -1.654 17811 6276 1 7 . 1 1 43 43 HIS H H 43 9.354 9.354 9.036 0.318 17811 6277 1 7 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.372 -0.432 17811 6278 1 7 . 1 1 45 45 LYS C C 45 177.001 177.001 176.035 0.966 17811 6279 1 7 . 1 1 45 45 LYS CA C 45 58.367 58.367 56.804 1.563 17811 6280 1 7 . 1 1 45 45 LYS CB C 45 32.200 32.200 32.975 -0.775 17811 6281 1 7 . 1 1 46 46 SER N N 46 111.577 111.577 114.765 -3.188 17811 6282 1 7 . 1 1 46 46 SER HA H 46 4.414 4.414 4.637 -0.223 17811 6283 1 7 . 1 1 46 46 SER C C 46 174.926 174.926 175.878 -0.952 17811 6284 1 7 . 1 1 46 46 SER CA C 46 60.011 60.011 59.685 0.326 17811 6285 1 7 . 1 1 46 46 SER CB C 46 65.354 65.354 64.033 1.321 17811 6286 1 7 . 1 1 46 46 SER H H 46 7.746 7.746 8.446 -0.700 17811 6287 1 7 . 1 1 47 47 GLY N N 47 112.402 112.402 107.702 4.700 17811 6288 1 7 . 1 1 47 47 GLY C C 47 173.180 173.180 173.229 -0.049 17811 6289 1 7 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.943 0.272 17811 6290 1 7 . 1 1 47 47 GLY H H 47 8.692 8.692 8.204 0.488 17811 6291 1 7 . 1 1 48 48 ALA N N 48 120.322 120.322 124.510 -4.188 17811 6292 1 7 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.609 -0.193 17811 6293 1 7 . 1 1 48 48 ALA C C 48 175.621 175.621 175.787 -0.166 17811 6294 1 7 . 1 1 48 48 ALA CA C 48 51.585 51.585 50.980 0.605 17811 6295 1 7 . 1 1 48 48 ALA CB C 48 19.802 19.802 19.737 0.065 17811 6296 1 7 . 1 1 48 48 ALA H H 48 7.740 7.740 8.121 -0.381 17811 6297 1 7 . 1 1 49 49 GLU N N 49 116.907 116.907 126.953 -10.046 17811 6298 1 7 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.913 0.013 17811 6299 1 7 . 1 1 49 49 GLU C C 49 176.184 176.184 175.377 0.807 17811 6300 1 7 . 1 1 49 49 GLU CA C 49 55.558 55.558 55.738 -0.180 17811 6301 1 7 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.871 0.987 17811 6302 1 7 . 1 1 49 49 GLU H H 49 8.262 8.262 8.708 -0.446 17811 6303 1 7 . 1 1 50 50 VAL N N 50 117.403 117.403 125.059 -7.656 17811 6304 1 7 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.014 0.826 17811 6305 1 7 . 1 1 50 50 VAL C C 50 176.053 176.053 174.818 1.235 17811 6306 1 7 . 1 1 50 50 VAL CA C 50 60.011 60.011 60.275 -0.264 17811 6307 1 7 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.634 2.457 17811 6308 1 7 . 1 1 50 50 VAL H H 50 9.223 9.223 9.303 -0.080 17811 6309 1 7 . 1 1 51 51 VAL N N 51 125.278 125.278 126.739 -1.461 17811 6310 1 7 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.690 -0.539 17811 6311 1 7 . 1 1 51 51 VAL C C 51 173.706 173.706 174.529 -0.823 17811 6312 1 7 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.383 1.066 17811 6313 1 7 . 1 1 51 51 VAL CB C 51 35.899 35.899 33.912 1.987 17811 6314 1 7 . 1 1 51 51 VAL H H 51 9.266 9.266 8.209 1.057 17811 6315 1 7 . 1 1 52 52 THR N N 52 115.674 115.674 125.309 -9.635 17811 6316 1 7 . 1 1 52 52 THR HA H 52 5.168 5.168 4.743 0.425 17811 6317 1 7 . 1 1 52 52 THR C C 52 173.669 173.669 174.456 -0.787 17811 6318 1 7 . 1 1 52 52 THR CA C 52 58.709 58.709 62.223 -3.514 17811 6319 1 7 . 1 1 52 52 THR CB C 52 70.628 70.628 69.463 1.165 17811 6320 1 7 . 1 1 52 52 THR H H 52 8.243 8.243 8.556 -0.313 17811 6321 1 7 . 1 1 53 53 GLY N N 53 108.122 108.122 112.797 -4.675 17811 6322 1 7 . 1 1 53 53 GLY C C 53 170.721 170.721 171.488 -0.767 17811 6323 1 7 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.631 0.858 17811 6324 1 7 . 1 1 53 53 GLY H H 53 7.908 7.908 8.037 -0.129 17811 6325 1 7 . 1 1 54 54 ARG N N 54 120.750 120.750 119.638 1.112 17811 6326 1 7 . 1 1 54 54 ARG HA H 54 5.105 5.105 4.996 0.109 17811 6327 1 7 . 1 1 54 54 ARG C C 54 175.095 175.095 174.241 0.854 17811 6328 1 7 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.269 -0.259 17811 6329 1 7 . 1 1 54 54 ARG CB C 54 32.474 32.474 32.906 -0.432 17811 6330 1 7 . 1 1 54 54 ARG H H 54 8.379 8.379 8.325 0.054 17811 6331 1 7 . 1 1 55 55 LEU N N 55 123.787 123.787 124.012 -0.225 17811 6332 1 7 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.694 -0.267 17811 6333 1 7 . 1 1 55 55 LEU C C 55 175.058 175.058 177.001 -1.943 17811 6334 1 7 . 1 1 55 55 LEU CA C 55 53.572 53.572 54.000 -0.428 17811 6335 1 7 . 1 1 55 55 LEU CB C 55 45.968 45.968 44.335 1.633 17811 6336 1 7 . 1 1 55 55 LEU H H 55 8.777 8.777 8.266 0.511 17811 6337 1 7 . 1 1 56 56 ALA N N 56 127.548 127.548 125.238 2.310 17811 6338 1 7 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.983 -0.053 17811 6339 1 7 . 1 1 56 56 ALA C C 56 177.855 177.855 177.790 0.065 17811 6340 1 7 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.556 -0.464 17811 6341 1 7 . 1 1 56 56 ALA CB C 56 17.610 17.610 18.089 -0.479 17811 6342 1 7 . 1 1 56 56 ALA H H 56 9.275 9.275 8.966 0.309 17811 6343 1 7 . 1 1 57 57 GLY N N 57 103.215 103.215 103.654 -0.439 17811 6344 1 7 . 1 1 57 57 GLY C C 57 174.157 174.157 174.303 -0.146 17811 6345 1 7 . 1 1 57 57 GLY CA C 57 45.694 45.694 44.870 0.824 17811 6346 1 7 . 1 1 57 57 GLY H H 57 8.507 8.507 8.216 0.291 17811 6347 1 7 . 1 1 58 58 THR N N 58 119.802 119.802 119.792 0.010 17811 6348 1 7 . 1 1 58 58 THR HA H 58 4.411 4.411 4.673 -0.262 17811 6349 1 7 . 1 1 58 58 THR C C 58 172.711 172.711 173.877 -1.166 17811 6350 1 7 . 1 1 58 58 THR CA C 58 62.134 62.134 61.918 0.216 17811 6351 1 7 . 1 1 58 58 THR CB C 58 71.313 71.313 70.400 0.913 17811 6352 1 7 . 1 1 58 58 THR H H 58 8.017 8.017 7.871 0.146 17811 6353 1 7 . 1 1 59 59 SER N N 59 122.901 122.901 121.527 1.374 17811 6354 1 7 . 1 1 59 59 SER HA H 59 4.492 4.492 4.682 -0.190 17811 6355 1 7 . 1 1 59 59 SER C C 59 173.537 173.537 174.005 -0.468 17811 6356 1 7 . 1 1 59 59 SER CA C 59 59.600 59.600 59.142 0.459 17811 6357 1 7 . 1 1 59 59 SER CB C 59 63.367 63.367 63.736 -0.369 17811 6358 1 7 . 1 1 59 59 SER H H 59 9.013 9.013 8.815 0.198 17811 6359 1 7 . 1 1 60 60 VAL N N 60 119.354 119.354 117.387 1.967 17811 6360 1 7 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.916 0.144 17811 6361 1 7 . 1 1 60 60 VAL C C 60 174.926 174.926 174.188 0.738 17811 6362 1 7 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.831 -0.505 17811 6363 1 7 . 1 1 60 60 VAL CB C 60 36.378 36.378 35.203 1.175 17811 6364 1 7 . 1 1 60 60 VAL H H 60 8.836 8.836 9.048 -0.212 17811 6365 1 7 . 1 1 61 61 VAL N N 61 124.480 124.480 123.170 1.310 17811 6366 1 7 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.250 -0.085 17811 6367 1 7 . 1 1 61 61 VAL C C 61 173.218 173.218 174.250 -1.032 17811 6368 1 7 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.723 1.206 17811 6369 1 7 . 1 1 61 61 VAL CB C 61 32.474 32.474 31.450 1.024 17811 6370 1 7 . 1 1 61 61 VAL H H 61 8.507 8.507 8.982 -0.475 17811 6371 1 7 . 1 1 62 62 LEU N N 62 129.499 129.499 130.995 -1.496 17811 6372 1 7 . 1 1 62 62 LEU HA H 62 5.472 5.472 4.637 0.835 17811 6373 1 7 . 1 1 62 62 LEU C C 62 175.095 175.095 174.512 0.583 17811 6374 1 7 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.539 -0.789 17811 6375 1 7 . 1 1 62 62 LEU CB C 62 44.872 44.872 42.227 2.645 17811 6376 1 7 . 1 1 62 62 LEU H H 62 9.202 9.202 7.812 1.390 17811 6377 1 7 . 1 1 63 63 ALA N N 63 126.661 126.661 129.318 -2.657 17811 6378 1 7 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.697 0.175 17811 6379 1 7 . 1 1 63 63 ALA C C 63 175.583 175.583 175.651 -0.068 17811 6380 1 7 . 1 1 63 63 ALA CA C 63 50.284 50.284 49.850 0.434 17811 6381 1 7 . 1 1 63 63 ALA CB C 63 25.556 25.556 23.178 2.378 17811 6382 1 7 . 1 1 63 63 ALA H H 63 9.567 9.567 8.377 1.190 17811 6383 1 7 . 1 1 64 64 LYS N N 64 117.967 117.967 117.379 0.588 17811 6384 1 7 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.271 -0.271 17811 6385 1 7 . 1 1 64 64 LYS C C 64 174.057 174.057 173.408 0.649 17811 6386 1 7 . 1 1 64 64 LYS CA C 64 53.298 53.298 53.026 0.272 17811 6387 1 7 . 1 1 64 64 LYS CB C 64 34.734 34.734 33.137 1.597 17811 6388 1 7 . 1 1 64 64 LYS H H 64 8.422 8.422 8.043 0.379 17811 6389 1 7 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.577 -0.043 17811 6390 1 7 . 1 1 65 65 PRO C C 65 174.946 174.946 176.619 -1.673 17811 6391 1 7 . 1 1 65 65 PRO CA C 65 62.682 62.682 63.170 -0.488 17811 6392 1 7 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.089 0.659 17811 6393 1 7 . 1 1 66 66 ARG N N 66 121.057 121.057 120.329 0.728 17811 6394 1 7 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.807 -0.290 17811 6395 1 7 . 1 1 66 66 ARG C C 66 175.264 175.264 175.530 -0.266 17811 6396 1 7 . 1 1 66 66 ARG CA C 66 54.942 54.942 55.993 -1.051 17811 6397 1 7 . 1 1 66 66 ARG CB C 66 31.241 31.241 31.140 0.101 17811 6398 1 7 . 1 1 66 66 ARG H H 66 9.377 9.377 9.270 0.107 17811 6399 1 7 . 1 1 67 67 CYS N N 67 115.093 115.093 116.665 -1.572 17811 6400 1 7 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.583 0.123 17811 6401 1 7 . 1 1 67 67 CYS C C 67 172.092 172.092 174.355 -2.263 17811 6402 1 7 . 1 1 67 67 CYS CA C 67 54.325 54.325 55.819 -1.494 17811 6403 1 7 . 1 1 67 67 CYS CB C 67 30.899 30.899 30.359 0.540 17811 6404 1 7 . 1 1 67 67 CYS H H 67 7.303 7.303 7.606 -0.303 17811 6405 1 7 . 1 1 68 68 TYR N N 68 115.888 115.888 119.064 -3.176 17811 6406 1 7 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.582 -0.162 17811 6407 1 7 . 1 1 68 68 TYR C C 68 178.080 178.080 177.319 0.761 17811 6408 1 7 . 1 1 68 68 TYR CA C 68 59.874 59.874 57.062 2.812 17811 6409 1 7 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.431 -0.066 17811 6410 1 7 . 1 1 68 68 TYR H H 68 8.201 8.201 7.703 0.498 17811 6411 1 7 . 1 1 69 69 MET N N 69 119.802 119.802 117.657 2.145 17811 6412 1 7 . 1 1 69 69 MET HA H 69 4.137 4.137 3.932 0.205 17811 6413 1 7 . 1 1 69 69 MET C C 69 175.076 175.076 177.828 -2.752 17811 6414 1 7 . 1 1 69 69 MET CA C 69 58.641 58.641 58.949 -0.308 17811 6415 1 7 . 1 1 69 69 MET CB C 69 33.090 33.090 32.130 0.960 17811 6416 1 7 . 1 1 69 69 MET H H 69 8.367 8.367 8.713 -0.346 17811 6417 1 7 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.500 -0.205 17811 6418 1 7 . 1 1 70 70 ASN C C 70 175.274 175.274 176.559 -1.285 17811 6419 1 7 . 1 1 70 70 ASN CA C 70 55.284 55.284 56.085 -0.801 17811 6420 1 7 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.574 -1.099 17811 6421 1 7 . 1 1 71 71 GLU N N 71 117.111 117.111 117.401 -0.290 17811 6422 1 7 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.438 0.316 17811 6423 1 7 . 1 1 71 71 GLU C C 71 176.823 176.823 177.889 -1.066 17811 6424 1 7 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.063 -0.642 17811 6425 1 7 . 1 1 71 71 GLU CB C 71 31.036 31.036 28.610 2.426 17811 6426 1 7 . 1 1 71 71 GLU H H 71 8.007 8.007 8.003 0.004 17811 6427 1 7 . 1 1 72 72 SER N N 72 115.827 115.827 116.583 -0.756 17811 6428 1 7 . 1 1 72 72 SER HA H 72 4.726 4.726 4.204 0.522 17811 6429 1 7 . 1 1 72 72 SER C C 72 177.029 177.029 175.816 1.213 17811 6430 1 7 . 1 1 72 72 SER CA C 72 63.778 63.778 60.739 3.039 17811 6431 1 7 . 1 1 72 72 SER CB C 72 63.890 63.890 62.807 1.083 17811 6432 1 7 . 1 1 72 72 SER H H 72 7.703 7.703 7.655 0.048 17811 6433 1 7 . 1 1 73 73 GLY N N 73 109.887 109.887 108.435 1.452 17811 6434 1 7 . 1 1 73 73 GLY C C 73 173.988 173.988 175.931 -1.943 17811 6435 1 7 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.812 1.621 17811 6436 1 7 . 1 1 73 73 GLY H H 73 9.527 9.527 8.012 1.515 17811 6437 1 7 . 1 1 74 74 ARG N N 74 119.068 119.068 119.786 -0.718 17811 6438 1 7 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.388 -0.209 17811 6439 1 7 . 1 1 74 74 ARG C C 74 176.973 176.973 178.051 -1.078 17811 6440 1 7 . 1 1 74 74 ARG CA C 74 58.024 58.024 56.533 1.491 17811 6441 1 7 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.572 0.094 17811 6442 1 7 . 1 1 74 74 ARG H H 74 8.207 8.207 7.542 0.665 17811 6443 1 7 . 1 1 75 75 GLN N N 75 113.474 113.474 118.997 -5.523 17811 6444 1 7 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.214 0.409 17811 6445 1 7 . 1 1 75 75 GLN C C 75 175.840 175.840 177.982 -2.142 17811 6446 1 7 . 1 1 75 75 GLN CA C 75 57.613 57.613 58.290 -0.677 17811 6447 1 7 . 1 1 75 75 GLN CB C 75 29.597 29.597 29.068 0.529 17811 6448 1 7 . 1 1 75 75 GLN H H 75 7.260 7.260 7.583 -0.323 17811 6449 1 7 . 1 1 76 76 VAL HA H 76 3.430 3.430 4.037 -0.607 17811 6450 1 7 . 1 1 76 76 VAL C C 76 176.463 176.463 177.453 -0.990 17811 6451 1 7 . 1 1 76 76 VAL CA C 76 66.998 66.998 64.507 2.491 17811 6452 1 7 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.340 1.134 17811 6453 1 7 . 1 1 77 77 GLY N N 77 104.918 104.918 109.793 -4.875 17811 6454 1 7 . 1 1 77 77 GLY C C 77 175.472 175.472 173.118 2.354 17811 6455 1 7 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.404 -0.175 17811 6456 1 7 . 1 1 77 77 GLY H H 77 8.541 8.541 8.071 0.470 17811 6457 1 7 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.005 0.212 17811 6458 1 7 . 1 1 78 78 PRO C C 78 179.208 179.208 178.052 1.156 17811 6459 1 7 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.091 0.057 17811 6460 1 7 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.345 0.923 17811 6461 1 7 . 1 1 79 79 LEU N N 79 119.649 119.649 119.502 0.147 17811 6462 1 7 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.097 -0.143 17811 6463 1 7 . 1 1 79 79 LEU C C 79 177.367 177.367 177.790 -0.423 17811 6464 1 7 . 1 1 79 79 LEU CA C 79 58.504 58.504 57.857 0.647 17811 6465 1 7 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.498 1.388 17811 6466 1 7 . 1 1 79 79 LEU H H 79 7.466 7.466 7.609 -0.143 17811 6467 1 7 . 1 1 80 80 ALA N N 80 120.470 120.470 119.579 0.891 17811 6468 1 7 . 1 1 80 80 ALA HA H 80 3.888 3.888 3.647 0.241 17811 6469 1 7 . 1 1 80 80 ALA C C 80 179.939 179.939 179.264 0.675 17811 6470 1 7 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.266 0.224 17811 6471 1 7 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.304 -0.694 17811 6472 1 7 . 1 1 80 80 ALA H H 80 8.279 8.279 8.256 0.023 17811 6473 1 7 . 1 1 81 81 LYS N N 81 116.408 116.408 116.674 -0.266 17811 6474 1 7 . 1 1 81 81 LYS HA H 81 4.094 4.094 3.972 0.122 17811 6475 1 7 . 1 1 81 81 LYS C C 81 179.920 179.920 177.562 2.358 17811 6476 1 7 . 1 1 81 81 LYS CA C 81 58.915 58.915 57.922 0.993 17811 6477 1 7 . 1 1 81 81 LYS CB C 81 32.337 32.337 31.644 0.693 17811 6478 1 7 . 1 1 81 81 LYS H H 81 7.798 7.798 7.544 0.254 17811 6479 1 7 . 1 1 82 82 PHE N N 82 121.199 121.199 117.805 3.394 17811 6480 1 7 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.256 -0.221 17811 6481 1 7 . 1 1 82 82 PHE C C 82 177.254 177.254 177.804 -0.550 17811 6482 1 7 . 1 1 82 82 PHE CA C 82 61.449 61.449 60.651 0.798 17811 6483 1 7 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.896 0.017 17811 6484 1 7 . 1 1 82 82 PHE H H 82 8.489 8.489 7.244 1.245 17811 6485 1 7 . 1 1 83 83 TYR N N 83 114.176 114.176 113.517 0.659 17811 6486 1 7 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.611 -0.207 17811 6487 1 7 . 1 1 83 83 TYR C C 83 173.368 173.368 176.330 -2.962 17811 6488 1 7 . 1 1 83 83 TYR CA C 83 59.600 59.600 57.141 2.459 17811 6489 1 7 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.118 0.931 17811 6490 1 7 . 1 1 83 83 TYR H H 83 7.634 7.634 7.151 0.483 17811 6491 1 7 . 1 1 84 84 SER N N 84 114.910 114.910 114.877 0.033 17811 6492 1 7 . 1 1 84 84 SER HA H 84 4.020 4.020 4.265 -0.245 17811 6493 1 7 . 1 1 84 84 SER C C 84 173.518 173.518 174.073 -0.555 17811 6494 1 7 . 1 1 84 84 SER CA C 84 58.367 58.367 59.408 -1.041 17811 6495 1 7 . 1 1 84 84 SER CB C 84 61.244 61.244 62.200 -0.956 17811 6496 1 7 . 1 1 84 84 SER H H 84 7.674 7.674 7.813 -0.139 17811 6497 1 7 . 1 1 85 85 VAL N N 85 120.291 120.291 118.701 1.590 17811 6498 1 7 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.584 -0.627 17811 6499 1 7 . 1 1 85 85 VAL C C 85 174.171 174.171 173.717 0.454 17811 6500 1 7 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.349 0.977 17811 6501 1 7 . 1 1 85 85 VAL CB C 85 33.296 33.296 32.175 1.121 17811 6502 1 7 . 1 1 85 85 VAL H H 85 8.456 8.456 7.754 0.702 17811 6503 1 7 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.378 -0.022 17811 6504 1 7 . 1 1 89 89 GLN C C 89 179.299 179.299 174.517 4.782 17811 6505 1 7 . 1 1 89 89 GLN CA C 89 55.832 55.832 55.236 0.596 17811 6506 1 7 . 1 1 89 89 GLN CB C 89 29.255 29.255 27.276 1.979 17811 6507 1 7 . 1 1 90 90 ILE N N 90 119.343 119.343 114.742 4.601 17811 6508 1 7 . 1 1 90 90 ILE HA H 90 4.062 4.062 5.287 -1.225 17811 6509 1 7 . 1 1 90 90 ILE C C 90 175.020 175.020 174.800 0.220 17811 6510 1 7 . 1 1 90 90 ILE CA C 90 60.627 60.627 59.252 1.375 17811 6511 1 7 . 1 1 90 90 ILE CB C 90 38.365 38.365 40.613 -2.248 17811 6512 1 7 . 1 1 90 90 ILE H H 90 7.728 7.728 7.466 0.262 17811 6513 1 7 . 1 1 91 91 VAL N N 91 127.979 127.979 124.299 3.680 17811 6514 1 7 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.991 -0.537 17811 6515 1 7 . 1 1 91 91 VAL C C 91 174.119 174.119 174.339 -0.220 17811 6516 1 7 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.726 0.764 17811 6517 1 7 . 1 1 91 91 VAL CB C 91 34.597 34.597 35.246 -0.649 17811 6518 1 7 . 1 1 91 91 VAL H H 91 9.358 9.358 8.792 0.566 17811 6519 1 7 . 1 1 92 92 VAL N N 92 127.153 127.153 130.785 -3.632 17811 6520 1 7 . 1 1 92 92 VAL HA H 92 4.155 4.155 4.909 -0.754 17811 6521 1 7 . 1 1 92 92 VAL C C 92 174.326 174.326 174.825 -0.499 17811 6522 1 7 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.845 0.262 17811 6523 1 7 . 1 1 92 92 VAL CB C 92 33.570 33.570 32.357 1.213 17811 6524 1 7 . 1 1 92 92 VAL H H 92 9.268 9.268 9.149 0.119 17811 6525 1 7 . 1 1 93 93 ILE N N 93 128.894 128.894 128.515 0.379 17811 6526 1 7 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.380 0.620 17811 6527 1 7 . 1 1 93 93 ILE C C 93 174.945 174.945 173.660 1.285 17811 6528 1 7 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.095 0.875 17811 6529 1 7 . 1 1 93 93 ILE CB C 93 39.461 39.461 38.108 1.353 17811 6530 1 7 . 1 1 93 93 ILE H H 93 9.198 9.198 8.815 0.383 17811 6531 1 7 . 1 1 94 94 HIS N N 94 121.624 121.624 128.531 -6.907 17811 6532 1 7 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.898 0.526 17811 6533 1 7 . 1 1 94 94 HIS C C 94 171.510 171.510 173.037 -1.527 17811 6534 1 7 . 1 1 94 94 HIS CA C 94 54.188 54.188 55.566 -1.378 17811 6535 1 7 . 1 1 94 94 HIS CB C 94 32.748 32.748 33.709 -0.961 17811 6536 1 7 . 1 1 94 94 HIS H H 94 8.762 8.762 8.264 0.498 17811 6537 1 7 . 1 1 95 95 ASP N N 95 115.353 115.353 120.160 -4.807 17811 6538 1 7 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.788 0.316 17811 6539 1 7 . 1 1 95 95 ASP C C 95 177.555 177.555 175.906 1.649 17811 6540 1 7 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.839 -1.021 17811 6541 1 7 . 1 1 95 95 ASP CB C 95 42.064 42.064 42.194 -0.130 17811 6542 1 7 . 1 1 95 95 ASP H H 95 10.045 10.045 7.571 2.474 17811 6543 1 7 . 1 1 96 96 GLU N N 96 125.562 125.562 121.483 4.079 17811 6544 1 7 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.755 0.479 17811 6545 1 7 . 1 1 96 96 GLU C C 96 175.245 175.245 177.063 -1.818 17811 6546 1 7 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.193 0.406 17811 6547 1 7 . 1 1 96 96 GLU CB C 96 34.255 34.255 30.731 3.524 17811 6548 1 7 . 1 1 96 96 GLU H H 96 9.100 9.100 8.857 0.243 17811 6549 1 7 . 1 1 97 97 LEU N N 97 130.882 130.882 124.063 6.819 17811 6550 1 7 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.368 0.140 17811 6551 1 7 . 1 1 97 97 LEU C C 97 177.911 177.911 177.410 0.501 17811 6552 1 7 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.943 -0.015 17811 6553 1 7 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.984 1.655 17811 6554 1 7 . 1 1 97 97 LEU H H 97 8.774 8.774 8.606 0.168 17811 6555 1 7 . 1 1 98 98 ASP N N 98 114.282 114.282 116.574 -2.292 17811 6556 1 7 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.506 -0.041 17811 6557 1 7 . 1 1 98 98 ASP C C 98 175.339 175.339 176.223 -0.884 17811 6558 1 7 . 1 1 98 98 ASP CA C 98 55.969 55.969 55.873 0.096 17811 6559 1 7 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.113 -0.488 17811 6560 1 7 . 1 1 98 98 ASP H H 98 8.729 8.729 8.122 0.607 17811 6561 1 7 . 1 1 99 99 ILE N N 99 116.163 116.163 120.258 -4.095 17811 6562 1 7 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.240 -0.354 17811 6563 1 7 . 1 1 99 99 ILE C C 99 174.044 174.044 174.942 -0.898 17811 6564 1 7 . 1 1 99 99 ILE CA C 99 59.394 59.394 58.729 0.665 17811 6565 1 7 . 1 1 99 99 ILE CB C 99 40.968 40.968 39.417 1.550 17811 6566 1 7 . 1 1 99 99 ILE H H 99 7.149 7.149 7.587 -0.438 17811 6567 1 7 . 1 1 100 100 ASP N N 100 122.370 122.370 126.444 -4.074 17811 6568 1 7 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.506 -0.205 17811 6569 1 7 . 1 1 100 100 ASP C C 100 175.321 175.321 176.246 -0.925 17811 6570 1 7 . 1 1 100 100 ASP CA C 100 55.216 55.216 55.453 -0.237 17811 6571 1 7 . 1 1 100 100 ASP CB C 100 41.584 41.584 42.259 -0.675 17811 6572 1 7 . 1 1 100 100 ASP H H 100 8.109 8.109 8.536 -0.427 17811 6573 1 7 . 1 1 101 101 PHE N N 101 119.674 119.674 116.253 3.421 17811 6574 1 7 . 1 1 101 101 PHE HA H 101 4.033 4.033 5.161 -1.128 17811 6575 1 7 . 1 1 101 101 PHE C C 101 176.654 176.654 176.878 -0.224 17811 6576 1 7 . 1 1 101 101 PHE CA C 101 59.463 59.463 58.013 1.450 17811 6577 1 7 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.191 0.133 17811 6578 1 7 . 1 1 101 101 PHE H H 101 8.598 8.598 8.226 0.372 17811 6579 1 7 . 1 1 102 102 GLY N N 102 116.800 116.800 111.920 4.880 17811 6580 1 7 . 1 1 102 102 GLY C C 102 172.749 172.749 173.544 -0.795 17811 6581 1 7 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.288 -0.073 17811 6582 1 7 . 1 1 102 102 GLY H H 102 8.550 8.550 8.440 0.110 17811 6583 1 7 . 1 1 103 103 ARG N N 103 118.304 118.304 122.201 -3.897 17811 6584 1 7 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.852 -0.314 17811 6585 1 7 . 1 1 103 103 ARG C C 103 175.114 175.114 174.587 0.527 17811 6586 1 7 . 1 1 103 103 ARG CA C 103 54.736 54.736 54.205 0.531 17811 6587 1 7 . 1 1 103 103 ARG CB C 103 31.310 31.310 32.330 -1.020 17811 6588 1 7 . 1 1 103 103 ARG H H 103 7.730 7.730 8.068 -0.338 17811 6589 1 7 . 1 1 104 104 ILE N N 104 122.440 122.440 116.387 6.053 17811 6590 1 7 . 1 1 104 104 ILE HA H 104 4.971 4.971 5.070 -0.099 17811 6591 1 7 . 1 1 104 104 ILE C C 104 175.884 175.884 174.358 1.526 17811 6592 1 7 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.337 0.468 17811 6593 1 7 . 1 1 104 104 ILE CB C 104 40.968 40.968 41.486 -0.518 17811 6594 1 7 . 1 1 104 104 ILE H H 104 8.687 8.687 7.993 0.694 17811 6595 1 7 . 1 1 105 105 ARG N N 105 124.391 124.391 117.984 6.407 17811 6596 1 7 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.764 0.138 17811 6597 1 7 . 1 1 105 105 ARG C C 105 174.157 174.157 173.729 0.428 17811 6598 1 7 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.625 -2.711 17811 6599 1 7 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.545 1.052 17811 6600 1 7 . 1 1 105 105 ARG H H 105 9.025 9.025 8.894 0.131 17811 6601 1 7 . 1 1 106 106 LEU N N 106 123.612 123.612 121.022 2.590 17811 6602 1 7 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.709 0.822 17811 6603 1 7 . 1 1 106 106 LEU C C 106 178.303 178.303 176.053 2.250 17811 6604 1 7 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.648 -1.487 17811 6605 1 7 . 1 1 106 106 LEU CB C 106 45.420 45.420 43.920 1.500 17811 6606 1 7 . 1 1 106 106 LEU H H 106 11.263 11.263 8.546 2.717 17811 6607 1 7 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.679 -0.603 17811 6608 1 7 . 1 1 107 107 LYS C C 107 175.241 175.241 174.767 0.474 17811 6609 1 7 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.132 1.287 17811 6610 1 7 . 1 1 107 107 LYS CB C 107 38.913 38.913 36.097 2.816 17811 6611 1 7 . 1 1 108 108 LEU N N 108 125.733 125.733 124.738 0.995 17811 6612 1 7 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.420 0.243 17811 6613 1 7 . 1 1 108 108 LEU C C 108 176.152 176.152 175.939 0.213 17811 6614 1 7 . 1 1 108 108 LEU CA C 108 54.325 54.325 55.348 -1.023 17811 6615 1 7 . 1 1 108 108 LEU CB C 108 42.374 42.374 41.949 0.425 17811 6616 1 7 . 1 1 108 108 LEU H H 108 8.488 8.488 8.604 -0.116 17811 6617 1 7 . 1 1 109 109 GLY N N 109 113.088 113.088 111.411 1.677 17811 6618 1 7 . 1 1 109 109 GLY C C 109 171.829 171.829 173.124 -1.295 17811 6619 1 7 . 1 1 109 109 GLY CA C 109 44.461 44.461 44.688 -0.227 17811 6620 1 7 . 1 1 109 109 GLY H H 109 7.427 7.427 7.635 -0.208 17811 6621 1 7 . 1 1 110 110 GLY N N 110 102.747 102.747 106.039 -3.292 17811 6622 1 7 . 1 1 110 110 GLY C C 110 174.538 174.538 174.110 0.428 17811 6623 1 7 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.026 0.024 17811 6624 1 7 . 1 1 110 110 GLY H H 110 7.685 7.685 8.289 -0.604 17811 6625 1 7 . 1 1 111 111 GLY N N 111 117.376 117.376 108.069 9.307 17811 6626 1 7 . 1 1 111 111 GLY C C 111 172.020 172.020 173.479 -1.459 17811 6627 1 7 . 1 1 111 111 GLY CA C 111 43.845 43.845 43.996 -0.151 17811 6628 1 7 . 1 1 111 111 GLY H H 111 8.252 8.252 8.520 -0.268 17811 6629 1 7 . 1 1 112 112 GLU HA H 112 4.194 4.194 3.683 0.511 17811 6630 1 7 . 1 1 112 112 GLU C C 112 177.997 177.997 177.994 0.003 17811 6631 1 7 . 1 1 112 112 GLU CA C 112 57.202 57.202 58.203 -1.001 17811 6632 1 7 . 1 1 112 112 GLU CB C 112 29.489 29.489 29.671 -0.182 17811 6633 1 7 . 1 1 113 113 GLY N N 113 110.029 110.029 114.267 -4.238 17811 6634 1 7 . 1 1 113 113 GLY C C 113 175.583 175.583 175.500 0.083 17811 6635 1 7 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.819 1.177 17811 6636 1 7 . 1 1 113 113 GLY H H 113 8.638 8.638 8.106 0.532 17811 6637 1 7 . 1 1 114 114 GLY N N 114 107.830 107.830 109.924 -2.094 17811 6638 1 7 . 1 1 114 114 GLY C C 114 173.838 173.838 175.019 -1.181 17811 6639 1 7 . 1 1 114 114 GLY CA C 114 45.352 45.352 45.553 -0.201 17811 6640 1 7 . 1 1 114 114 GLY H H 114 8.579 8.579 7.682 0.897 17811 6641 1 7 . 1 1 115 115 HIS N N 115 122.890 122.890 117.424 5.466 17811 6642 1 7 . 1 1 115 115 HIS HA H 115 4.703 4.703 3.928 0.775 17811 6643 1 7 . 1 1 115 115 HIS C C 115 176.520 176.520 176.659 -0.139 17811 6644 1 7 . 1 1 115 115 HIS CA C 115 57.956 57.956 58.867 -0.911 17811 6645 1 7 . 1 1 115 115 HIS CB C 115 32.405 32.405 28.186 4.219 17811 6646 1 7 . 1 1 115 115 HIS H H 115 7.830 7.830 8.533 -0.703 17811 6647 1 7 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.385 -0.089 17811 6648 1 7 . 1 1 116 116 ASN C C 116 178.246 178.246 177.610 0.636 17811 6649 1 7 . 1 1 116 116 ASN CA C 116 56.380 56.380 56.311 0.069 17811 6650 1 7 . 1 1 116 116 ASN CB C 116 36.721 36.721 38.116 -1.395 17811 6651 1 7 . 1 1 117 117 GLY N N 117 113.570 113.570 107.133 6.437 17811 6652 1 7 . 1 1 117 117 GLY C C 117 175.114 175.114 176.145 -1.031 17811 6653 1 7 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.949 0.458 17811 6654 1 7 . 1 1 117 117 GLY H H 117 9.245 9.245 8.570 0.675 17811 6655 1 7 . 1 1 118 118 LEU N N 118 123.746 123.746 122.117 1.629 17811 6656 1 7 . 1 1 118 118 LEU HA H 118 3.836 3.836 3.981 -0.145 17811 6657 1 7 . 1 1 118 118 LEU C C 118 179.150 179.150 178.700 0.450 17811 6658 1 7 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.731 1.362 17811 6659 1 7 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.548 0.790 17811 6660 1 7 . 1 1 118 118 LEU H H 118 8.133 8.133 7.663 0.470 17811 6661 1 7 . 1 1 119 119 ARG N N 119 117.495 117.495 120.390 -2.895 17811 6662 1 7 . 1 1 119 119 ARG HA H 119 4.061 4.061 3.965 0.096 17811 6663 1 7 . 1 1 119 119 ARG C C 119 178.400 178.400 178.167 0.233 17811 6664 1 7 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.560 1.177 17811 6665 1 7 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.364 1.124 17811 6666 1 7 . 1 1 119 119 ARG H H 119 8.234 8.234 8.815 -0.581 17811 6667 1 7 . 1 1 120 120 SER N N 120 112.769 112.769 114.925 -2.156 17811 6668 1 7 . 1 1 120 120 SER HA H 120 4.218 4.218 4.220 -0.002 17811 6669 1 7 . 1 1 120 120 SER C C 120 178.568 178.568 176.810 1.758 17811 6670 1 7 . 1 1 120 120 SER CA C 120 60.901 60.901 61.623 -0.722 17811 6671 1 7 . 1 1 120 120 SER CB C 120 63.367 63.367 62.832 0.535 17811 6672 1 7 . 1 1 120 120 SER H H 120 7.283 7.283 7.739 -0.456 17811 6673 1 7 . 1 1 121 121 VAL N N 121 120.291 120.291 121.474 -1.183 17811 6674 1 7 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.667 -0.408 17811 6675 1 7 . 1 1 121 121 VAL C C 121 176.485 176.485 177.361 -0.876 17811 6676 1 7 . 1 1 121 121 VAL CA C 121 68.094 68.094 66.024 2.070 17811 6677 1 7 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.375 0.209 17811 6678 1 7 . 1 1 121 121 VAL H H 121 8.263 8.263 7.510 0.753 17811 6679 1 7 . 1 1 122 122 ALA N N 122 120.702 120.702 121.860 -1.158 17811 6680 1 7 . 1 1 122 122 ALA HA H 122 4.485 4.485 3.980 0.505 17811 6681 1 7 . 1 1 122 122 ALA C C 122 181.178 181.178 179.754 1.424 17811 6682 1 7 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.485 -0.201 17811 6683 1 7 . 1 1 122 122 ALA CB C 122 18.569 18.569 17.968 0.601 17811 6684 1 7 . 1 1 122 122 ALA H H 122 8.708 8.708 8.416 0.292 17811 6685 1 7 . 1 1 123 123 SER N N 123 113.198 113.198 113.701 -0.503 17811 6686 1 7 . 1 1 123 123 SER HA H 123 4.049 4.049 4.155 -0.106 17811 6687 1 7 . 1 1 123 123 SER C C 123 176.672 176.672 175.720 0.952 17811 6688 1 7 . 1 1 123 123 SER CA C 123 61.312 61.312 61.577 -0.265 17811 6689 1 7 . 1 1 123 123 SER CB C 123 62.888 62.888 63.068 -0.180 17811 6690 1 7 . 1 1 123 123 SER H H 123 8.137 8.137 8.197 -0.060 17811 6691 1 7 . 1 1 124 124 ALA N N 124 122.798 122.798 123.159 -0.361 17811 6692 1 7 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.313 -0.177 17811 6693 1 7 . 1 1 124 124 ALA C C 124 180.052 180.052 178.620 1.432 17811 6694 1 7 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.004 0.664 17811 6695 1 7 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.874 0.996 17811 6696 1 7 . 1 1 124 124 ALA H H 124 7.692 7.692 7.237 0.455 17811 6697 1 7 . 1 1 125 125 LEU N N 125 114.359 114.359 116.617 -2.258 17811 6698 1 7 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.121 0.070 17811 6699 1 7 . 1 1 125 125 LEU C C 125 178.024 178.024 177.293 0.731 17811 6700 1 7 . 1 1 125 125 LEU CA C 125 55.490 55.490 55.735 -0.245 17811 6701 1 7 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.871 0.083 17811 6702 1 7 . 1 1 125 125 LEU H H 125 8.219 8.219 7.748 0.471 17811 6703 1 7 . 1 1 126 126 GLY N N 126 106.746 106.746 105.086 1.660 17811 6704 1 7 . 1 1 126 126 GLY C C 126 173.124 173.124 173.775 -0.651 17811 6705 1 7 . 1 1 126 126 GLY CA C 126 45.557 45.557 44.783 0.773 17811 6706 1 7 . 1 1 126 126 GLY H H 126 7.910 7.910 7.999 -0.089 17811 6707 1 7 . 1 1 127 127 THR N N 127 112.372 112.372 113.729 -1.357 17811 6708 1 7 . 1 1 127 127 THR HA H 127 4.586 4.586 4.808 -0.222 17811 6709 1 7 . 1 1 127 127 THR C C 127 170.252 170.252 172.301 -2.049 17811 6710 1 7 . 1 1 127 127 THR CA C 127 59.463 59.463 59.482 -0.019 17811 6711 1 7 . 1 1 127 127 THR CB C 127 67.751 67.751 70.059 -2.308 17811 6712 1 7 . 1 1 127 127 THR H H 127 7.611 7.611 7.723 -0.112 17811 6713 1 7 . 1 1 128 128 LYS N N 128 120.933 120.933 119.202 1.731 17811 6714 1 7 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.396 -0.082 17811 6715 1 7 . 1 1 128 128 LYS C C 128 178.400 178.400 175.480 2.920 17811 6716 1 7 . 1 1 128 128 LYS CA C 128 56.038 56.038 55.054 0.983 17811 6717 1 7 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.282 0.466 17811 6718 1 7 . 1 1 128 128 LYS H H 128 8.075 8.075 8.117 -0.042 17811 6719 1 7 . 1 1 129 129 ASN N N 129 124.675 124.675 117.142 7.533 17811 6720 1 7 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.309 -0.005 17811 6721 1 7 . 1 1 129 129 ASN C C 129 171.284 171.284 174.137 -2.853 17811 6722 1 7 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.754 0.366 17811 6723 1 7 . 1 1 129 129 ASN CB C 129 37.063 37.063 37.349 -0.286 17811 6724 1 7 . 1 1 129 129 ASN H H 129 8.736 8.736 7.821 0.915 17811 6725 1 7 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.950 0.141 17811 6726 1 7 . 1 1 131 131 HIS C C 131 175.397 175.397 173.392 2.005 17811 6727 1 7 . 1 1 131 131 HIS CA C 131 60.148 60.148 55.385 4.763 17811 6728 1 7 . 1 1 131 131 HIS CB C 131 30.967 30.967 31.731 -0.764 17811 6729 1 7 . 1 1 132 132 ARG N N 132 119.440 119.440 121.190 -1.750 17811 6730 1 7 . 1 1 132 132 ARG HA H 132 5.949 5.949 5.143 0.806 17811 6731 1 7 . 1 1 132 132 ARG C C 132 174.945 174.945 173.887 1.058 17811 6732 1 7 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.131 0.427 17811 6733 1 7 . 1 1 132 132 ARG CB C 132 32.679 32.679 33.378 -0.699 17811 6734 1 7 . 1 1 132 132 ARG H H 132 9.525 9.525 8.598 0.927 17811 6735 1 7 . 1 1 133 133 VAL N N 133 124.107 124.107 119.938 4.169 17811 6736 1 7 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.255 -0.148 17811 6737 1 7 . 1 1 133 133 VAL C C 133 172.805 172.805 175.907 -3.102 17811 6738 1 7 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.193 1.284 17811 6739 1 7 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.749 -0.344 17811 6740 1 7 . 1 1 133 133 VAL H H 133 8.669 8.669 8.765 -0.096 17811 6741 1 7 . 1 1 134 134 ARG N N 134 123.782 123.782 126.191 -2.409 17811 6742 1 7 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.627 -1.003 17811 6743 1 7 . 1 1 134 134 ARG C C 134 174.964 174.964 175.105 -0.141 17811 6744 1 7 . 1 1 134 134 ARG CA C 134 53.914 53.914 53.605 0.309 17811 6745 1 7 . 1 1 134 134 ARG CB C 134 32.063 32.063 29.483 2.580 17811 6746 1 7 . 1 1 134 134 ARG H H 134 8.822 8.822 9.051 -0.229 17811 6747 1 7 . 1 1 135 135 ILE N N 135 122.618 122.618 126.131 -3.513 17811 6748 1 7 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.291 0.009 17811 6749 1 7 . 1 1 135 135 ILE C C 135 175.809 175.809 175.616 0.193 17811 6750 1 7 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.578 0.049 17811 6751 1 7 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.280 0.153 17811 6752 1 7 . 1 1 135 135 ILE H H 135 8.532 8.532 7.859 0.673 17811 6753 1 7 . 1 1 136 136 GLY N N 136 116.268 116.268 116.804 -0.536 17811 6754 1 7 . 1 1 136 136 GLY C C 136 175.302 175.302 175.209 0.093 17811 6755 1 7 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.300 3.134 17811 6756 1 7 . 1 1 136 136 GLY H H 136 9.240 9.240 8.869 0.371 17811 6757 1 7 . 1 1 137 137 VAL N N 137 111.669 111.669 121.594 -9.925 17811 6758 1 7 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.590 0.605 17811 6759 1 7 . 1 1 137 137 VAL C C 137 176.691 176.691 175.916 0.775 17811 6760 1 7 . 1 1 137 137 VAL CA C 137 60.216 60.216 59.822 0.394 17811 6761 1 7 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.614 1.230 17811 6762 1 7 . 1 1 137 137 VAL H H 137 8.370 8.370 8.005 0.365 17811 6763 1 7 . 1 1 138 138 GLY N N 138 111.577 111.577 109.538 2.039 17811 6764 1 7 . 1 1 138 138 GLY C C 138 169.895 169.895 172.642 -2.747 17811 6765 1 7 . 1 1 138 138 GLY CA C 138 45.489 45.489 45.039 0.449 17811 6766 1 7 . 1 1 138 138 GLY H H 138 8.524 8.524 8.258 0.266 17811 6767 1 7 . 1 1 139 139 ARG N N 139 112.983 112.983 118.867 -5.884 17811 6768 1 7 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.807 -0.422 17811 6769 1 7 . 1 1 139 139 ARG C C 139 175.133 175.133 173.500 1.633 17811 6770 1 7 . 1 1 139 139 ARG CA C 139 53.161 53.161 52.477 0.684 17811 6771 1 7 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.937 -1.271 17811 6772 1 7 . 1 1 139 139 ARG H H 139 7.603 7.603 8.524 -0.921 17811 6773 1 7 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.491 0.142 17811 6774 1 7 . 1 1 141 141 PRO C C 141 176.503 176.503 176.696 -0.193 17811 6775 1 7 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.492 0.465 17811 6776 1 7 . 1 1 141 141 PRO CB C 141 32.953 32.953 30.633 2.320 17811 6777 1 7 . 1 1 142 142 GLY N N 142 107.144 107.144 109.994 -2.850 17811 6778 1 7 . 1 1 142 142 GLY C C 142 175.076 175.076 174.432 0.644 17811 6779 1 7 . 1 1 142 142 GLY CA C 142 44.530 44.530 44.095 0.435 17811 6780 1 7 . 1 1 142 142 GLY H H 142 8.228 8.228 7.509 0.719 17811 6781 1 7 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.494 -0.229 17811 6782 1 7 . 1 1 143 143 ARG C C 143 175.848 175.848 176.507 -0.659 17811 6783 1 7 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.269 -0.848 17811 6784 1 7 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.480 -1.361 17811 6785 1 7 . 1 1 144 144 LYS N N 144 121.850 121.850 120.715 1.135 17811 6786 1 7 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.496 -0.437 17811 6787 1 7 . 1 1 144 144 LYS C C 144 175.152 175.152 175.768 -0.616 17811 6788 1 7 . 1 1 144 144 LYS CA C 144 56.312 56.312 55.241 1.071 17811 6789 1 7 . 1 1 144 144 LYS CB C 144 32.611 32.611 33.041 -0.430 17811 6790 1 7 . 1 1 144 144 LYS H H 144 7.542 7.542 7.852 -0.310 17811 6791 1 7 . 1 1 145 145 ASP N N 145 126.413 126.413 122.017 4.396 17811 6792 1 7 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.754 -0.051 17811 6793 1 7 . 1 1 145 145 ASP C C 145 176.208 176.208 176.585 -0.377 17811 6794 1 7 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.525 -0.186 17811 6795 1 7 . 1 1 145 145 ASP CB C 145 42.406 42.406 42.176 0.230 17811 6796 1 7 . 1 1 145 145 ASP H H 145 8.507 8.507 8.565 -0.058 17811 6797 1 7 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.648 0.025 17811 6798 1 7 . 1 1 146 146 PRO C C 146 177.555 177.555 177.724 -0.169 17811 6799 1 7 . 1 1 146 146 PRO CA C 146 65.628 65.628 64.724 0.904 17811 6800 1 7 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.646 0.896 17811 6801 1 7 . 1 1 147 147 ALA N N 147 119.068 119.068 121.380 -2.312 17811 6802 1 7 . 1 1 147 147 ALA HA H 147 3.996 3.996 4.004 -0.008 17811 6803 1 7 . 1 1 147 147 ALA C C 147 179.236 179.236 178.713 0.523 17811 6804 1 7 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.571 0.028 17811 6805 1 7 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.337 0.026 17811 6806 1 7 . 1 1 147 147 ALA H H 147 8.161 8.161 8.350 -0.189 17811 6807 1 7 . 1 1 148 148 ALA N N 148 118.488 118.488 118.660 -0.172 17811 6808 1 7 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.282 -0.115 17811 6809 1 7 . 1 1 148 148 ALA C C 148 180.397 180.397 179.448 0.949 17811 6810 1 7 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.635 0.553 17811 6811 1 7 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.250 -0.476 17811 6812 1 7 . 1 1 148 148 ALA H H 148 7.210 7.210 7.867 -0.657 17811 6813 1 7 . 1 1 149 149 PHE N N 149 118.247 118.247 117.668 0.579 17811 6814 1 7 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.554 -0.416 17811 6815 1 7 . 1 1 149 149 PHE C C 149 178.080 178.080 178.083 -0.003 17811 6816 1 7 . 1 1 149 149 PHE CA C 149 60.353 60.353 59.925 0.428 17811 6817 1 7 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.174 1.657 17811 6818 1 7 . 1 1 149 149 PHE H H 149 8.099 8.099 7.618 0.481 17811 6819 1 7 . 1 1 150 150 VAL N N 150 107.786 107.786 121.066 -13.280 17811 6820 1 7 . 1 1 150 150 VAL HA H 150 3.837 3.837 4.052 -0.215 17811 6821 1 7 . 1 1 150 150 VAL C C 150 174.757 174.757 176.471 -1.714 17811 6822 1 7 . 1 1 150 150 VAL CA C 150 63.847 63.847 65.669 -1.822 17811 6823 1 7 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.639 -0.877 17811 6824 1 7 . 1 1 150 150 VAL H H 150 7.587 7.587 8.472 -0.885 17811 6825 1 7 . 1 1 151 151 LEU N N 151 118.783 118.783 114.405 4.378 17811 6826 1 7 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.458 0.017 17811 6827 1 7 . 1 1 151 151 LEU C C 151 174.926 174.926 175.273 -0.347 17811 6828 1 7 . 1 1 151 151 LEU CA C 151 53.709 53.709 54.728 -1.019 17811 6829 1 7 . 1 1 151 151 LEU CB C 151 41.036 41.036 42.084 -1.048 17811 6830 1 7 . 1 1 151 151 LEU H H 151 6.914 6.914 7.458 -0.544 17811 6831 1 7 . 1 1 152 152 GLU N N 152 118.356 118.356 115.663 2.693 17811 6832 1 7 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.584 -0.259 17811 6833 1 7 . 1 1 152 152 GLU C C 152 175.752 175.752 174.142 1.610 17811 6834 1 7 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.965 -1.366 17811 6835 1 7 . 1 1 152 152 GLU CB C 152 31.995 31.995 31.563 0.432 17811 6836 1 7 . 1 1 152 152 GLU H H 152 6.823 6.823 7.516 -0.693 17811 6837 1 7 . 1 1 153 153 ASN N N 153 116.805 116.805 122.091 -5.286 17811 6838 1 7 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.845 -0.242 17811 6839 1 7 . 1 1 153 153 ASN C C 153 175.734 175.734 172.940 2.794 17811 6840 1 7 . 1 1 153 153 ASN CA C 153 52.750 52.750 53.516 -0.766 17811 6841 1 7 . 1 1 153 153 ASN CB C 153 38.844 38.844 41.553 -2.709 17811 6842 1 7 . 1 1 153 153 ASN H H 153 8.064 8.064 8.523 -0.459 17811 6843 1 7 . 1 1 154 154 PHE N N 154 116.744 116.744 118.837 -2.093 17811 6844 1 7 . 1 1 154 154 PHE HA H 154 4.325 4.325 5.181 -0.856 17811 6845 1 7 . 1 1 154 154 PHE C C 154 177.142 177.142 173.725 3.417 17811 6846 1 7 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.757 3.391 17811 6847 1 7 . 1 1 154 154 PHE CB C 154 38.776 38.776 40.235 -1.459 17811 6848 1 7 . 1 1 154 154 PHE H H 154 7.410 7.410 8.114 -0.704 17811 6849 1 7 . 1 1 155 155 THR N N 155 113.714 113.714 118.102 -4.388 17811 6850 1 7 . 1 1 155 155 THR HA H 155 4.691 4.691 4.542 0.149 17811 6851 1 7 . 1 1 155 155 THR C C 155 174.870 174.870 174.513 0.357 17811 6852 1 7 . 1 1 155 155 THR CA C 155 61.648 61.648 59.633 2.015 17811 6853 1 7 . 1 1 155 155 THR CB C 155 70.697 70.697 70.266 0.431 17811 6854 1 7 . 1 1 155 155 THR H H 155 9.356 9.356 9.236 0.120 17811 6855 1 7 . 1 1 156 156 ALA N N 156 122.937 122.937 122.654 0.283 17811 6856 1 7 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.267 0.072 17811 6857 1 7 . 1 1 156 156 ALA C C 156 180.132 180.132 179.014 1.118 17811 6858 1 7 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.096 2.010 17811 6859 1 7 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.129 -0.177 17811 6860 1 7 . 1 1 156 156 ALA H H 156 8.931 8.931 8.479 0.452 17811 6861 1 7 . 1 1 157 157 ALA N N 157 118.892 118.892 121.331 -2.439 17811 6862 1 7 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.089 0.078 17811 6863 1 7 . 1 1 157 157 ALA C C 157 181.009 181.009 179.208 1.801 17811 6864 1 7 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.539 0.129 17811 6865 1 7 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.198 0.302 17811 6866 1 7 . 1 1 157 157 ALA H H 157 8.248 8.248 8.060 0.188 17811 6867 1 7 . 1 1 158 158 GLU N N 158 118.304 118.304 118.485 -0.181 17811 6868 1 7 . 1 1 158 158 GLU HA H 158 3.778 3.778 3.477 0.301 17811 6869 1 7 . 1 1 158 158 GLU C C 158 179.920 179.920 179.180 0.740 17811 6870 1 7 . 1 1 158 158 GLU CA C 158 58.298 58.298 59.182 -0.884 17811 6871 1 7 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.537 2.225 17811 6872 1 7 . 1 1 158 158 GLU H H 158 7.486 7.486 8.380 -0.894 17811 6873 1 7 . 1 1 159 159 ARG N N 159 118.363 118.363 118.286 0.077 17811 6874 1 7 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.055 -0.352 17811 6875 1 7 . 1 1 159 159 ARG C C 159 177.793 177.793 177.404 0.389 17811 6876 1 7 . 1 1 159 159 ARG CA C 159 59.763 59.763 58.161 1.602 17811 6877 1 7 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.288 1.131 17811 6878 1 7 . 1 1 159 159 ARG H H 159 9.117 9.117 7.803 1.314 17811 6879 1 7 . 1 1 160 160 ALA N N 160 118.334 118.334 119.801 -1.467 17811 6880 1 7 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.327 -0.145 17811 6881 1 7 . 1 1 160 160 ALA C C 160 178.512 178.512 178.682 -0.170 17811 6882 1 7 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.202 0.124 17811 6883 1 7 . 1 1 160 160 ALA CB C 160 18.774 18.774 19.337 -0.562 17811 6884 1 7 . 1 1 160 160 ALA H H 160 7.227 7.227 7.515 -0.288 17811 6885 1 7 . 1 1 161 161 GLU N N 161 114.910 114.910 115.760 -0.850 17811 6886 1 7 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.608 -0.065 17811 6887 1 7 . 1 1 161 161 GLU C C 161 177.085 177.085 178.539 -1.454 17811 6888 1 7 . 1 1 161 161 GLU CA C 161 56.243 56.243 55.833 0.410 17811 6889 1 7 . 1 1 161 161 GLU CB C 161 31.926 31.926 30.370 1.556 17811 6890 1 7 . 1 1 161 161 GLU H H 161 7.705 7.705 7.858 -0.153 17811 6891 1 7 . 1 1 162 162 VAL N N 162 120.126 120.126 122.115 -1.989 17811 6892 1 7 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.804 0.349 17811 6893 1 7 . 1 1 162 162 VAL C C 162 173.208 173.208 174.991 -1.783 17811 6894 1 7 . 1 1 162 162 VAL CA C 162 68.779 68.779 69.157 -0.378 17811 6895 1 7 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.317 0.897 17811 6896 1 7 . 1 1 162 162 VAL H H 162 7.509 7.509 7.961 -0.452 17811 6897 1 7 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.344 -0.186 17811 6898 1 7 . 1 1 163 163 PRO C C 163 179.146 179.146 178.814 0.332 17811 6899 1 7 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.479 0.245 17811 6900 1 7 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.070 -0.308 17811 6901 1 7 . 1 1 164 164 THR N N 164 113.503 113.503 115.324 -1.821 17811 6902 1 7 . 1 1 164 164 THR HA H 164 4.295 4.295 4.037 0.258 17811 6903 1 7 . 1 1 164 164 THR C C 164 175.696 175.696 176.782 -1.086 17811 6904 1 7 . 1 1 164 164 THR CA C 164 66.244 66.244 67.495 -1.251 17811 6905 1 7 . 1 1 164 164 THR CB C 164 68.710 68.710 68.417 0.293 17811 6906 1 7 . 1 1 164 164 THR H H 164 7.260 7.260 8.021 -0.761 17811 6907 1 7 . 1 1 165 165 ILE N N 165 124.266 124.266 121.405 2.861 17811 6908 1 7 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.754 -0.029 17811 6909 1 7 . 1 1 165 165 ILE C C 165 177.949 177.949 177.622 0.327 17811 6910 1 7 . 1 1 165 165 ILE CA C 165 65.148 65.148 65.329 -0.181 17811 6911 1 7 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.866 0.567 17811 6912 1 7 . 1 1 165 165 ILE H H 165 7.781 7.781 8.059 -0.278 17811 6913 1 7 . 1 1 166 166 VAL N N 166 117.723 117.723 120.381 -2.658 17811 6914 1 7 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.510 0.001 17811 6915 1 7 . 1 1 166 166 VAL C C 166 178.062 178.062 177.947 0.115 17811 6916 1 7 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.622 -0.830 17811 6917 1 7 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.164 0.214 17811 6918 1 7 . 1 1 166 166 VAL H H 166 8.605 8.605 8.199 0.406 17811 6919 1 7 . 1 1 167 167 GLU N N 167 119.572 119.572 118.562 1.010 17811 6920 1 7 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.918 -0.075 17811 6921 1 7 . 1 1 167 167 GLU C C 167 179.000 179.000 179.161 -0.161 17811 6922 1 7 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.875 -0.070 17811 6923 1 7 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.361 -0.175 17811 6924 1 7 . 1 1 167 167 GLU H H 167 7.408 7.408 7.882 -0.474 17811 6925 1 7 . 1 1 168 168 GLN N N 168 118.334 118.334 118.623 -0.289 17811 6926 1 7 . 1 1 168 168 GLN HA H 168 3.967 3.967 4.099 -0.132 17811 6927 1 7 . 1 1 168 168 GLN C C 168 179.038 179.038 178.398 0.640 17811 6928 1 7 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.192 1.271 17811 6929 1 7 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.849 0.063 17811 6930 1 7 . 1 1 168 168 GLN H H 168 8.298 8.298 7.508 0.790 17811 6931 1 7 . 1 1 169 169 ALA N N 169 123.008 123.008 123.258 -0.250 17811 6932 1 7 . 1 1 169 169 ALA HA H 169 4.062 4.062 3.944 0.118 17811 6933 1 7 . 1 1 169 169 ALA C C 169 180.408 180.408 179.635 0.773 17811 6934 1 7 . 1 1 169 169 ALA CA C 169 55.216 55.216 55.301 -0.085 17811 6935 1 7 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.194 0.991 17811 6936 1 7 . 1 1 169 169 ALA H H 169 9.106 9.106 8.664 0.442 17811 6937 1 7 . 1 1 170 170 ALA N N 170 125.275 125.275 119.796 5.479 17811 6938 1 7 . 1 1 170 170 ALA HA H 170 3.930 3.930 3.982 -0.052 17811 6939 1 7 . 1 1 170 170 ALA C C 170 178.831 178.831 178.912 -0.081 17811 6940 1 7 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.853 1.116 17811 6941 1 7 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.396 -1.266 17811 6942 1 7 . 1 1 170 170 ALA H H 170 8.364 8.364 7.850 0.514 17811 6943 1 7 . 1 1 171 171 ASP N N 171 120.702 120.702 118.352 2.350 17811 6944 1 7 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.498 -0.245 17811 6945 1 7 . 1 1 171 171 ASP C C 171 179.507 179.507 178.551 0.956 17811 6946 1 7 . 1 1 171 171 ASP CA C 171 57.887 57.887 56.389 1.498 17811 6947 1 7 . 1 1 171 171 ASP CB C 171 39.735 39.735 41.214 -1.479 17811 6948 1 7 . 1 1 171 171 ASP H H 171 8.656 8.656 7.577 1.079 17811 6949 1 7 . 1 1 172 172 ALA N N 172 122.759 122.759 122.176 0.583 17811 6950 1 7 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.216 -0.276 17811 6951 1 7 . 1 1 172 172 ALA C C 172 178.137 178.137 179.887 -1.750 17811 6952 1 7 . 1 1 172 172 ALA CA C 172 55.010 55.010 54.870 0.140 17811 6953 1 7 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.506 1.365 17811 6954 1 7 . 1 1 172 172 ALA H H 172 9.380 9.380 8.450 0.930 17811 6955 1 7 . 1 1 173 173 THR N N 173 115.154 115.154 115.196 -0.042 17811 6956 1 7 . 1 1 173 173 THR HA H 173 4.430 4.430 3.898 0.532 17811 6957 1 7 . 1 1 173 173 THR C C 173 175.940 175.940 176.158 -0.218 17811 6958 1 7 . 1 1 173 173 THR CA C 173 68.162 68.162 66.991 1.171 17811 6959 1 7 . 1 1 173 173 THR CB C 173 68.162 68.162 68.276 -0.114 17811 6960 1 7 . 1 1 173 173 THR H H 173 7.811 7.811 8.329 -0.518 17811 6961 1 7 . 1 1 174 174 GLU N N 174 118.915 118.915 121.003 -2.088 17811 6962 1 7 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.095 -0.451 17811 6963 1 7 . 1 1 174 174 GLU C C 174 178.475 178.475 178.639 -0.164 17811 6964 1 7 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.028 2.353 17811 6965 1 7 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.486 0.728 17811 6966 1 7 . 1 1 174 174 GLU H H 174 7.832 7.832 7.588 0.244 17811 6967 1 7 . 1 1 175 175 LEU N N 175 119.457 119.457 120.213 -0.756 17811 6968 1 7 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.161 -0.212 17811 6969 1 7 . 1 1 175 175 LEU C C 175 178.268 178.268 178.354 -0.086 17811 6970 1 7 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.495 0.735 17811 6971 1 7 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.889 0.586 17811 6972 1 7 . 1 1 175 175 LEU H H 175 8.144 8.144 7.920 0.224 17811 6973 1 7 . 1 1 176 176 LEU N N 176 120.413 120.413 119.557 0.856 17811 6974 1 7 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.314 -0.723 17811 6975 1 7 . 1 1 176 176 LEU C C 176 177.799 177.799 179.105 -1.306 17811 6976 1 7 . 1 1 176 176 LEU CA C 176 58.093 58.093 58.362 -0.269 17811 6977 1 7 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.789 -0.069 17811 6978 1 7 . 1 1 176 176 LEU H H 176 7.970 7.970 7.288 0.682 17811 6979 1 7 . 1 1 177 177 ILE N N 177 115.277 115.277 116.861 -1.584 17811 6980 1 7 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.704 0.223 17811 6981 1 7 . 1 1 177 177 ILE C C 177 177.123 177.123 177.231 -0.108 17811 6982 1 7 . 1 1 177 177 ILE CA C 177 65.148 65.148 63.919 1.229 17811 6983 1 7 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.377 1.056 17811 6984 1 7 . 1 1 177 177 ILE H H 177 7.576 7.576 7.330 0.246 17811 6985 1 7 . 1 1 178 178 ALA N N 178 118.887 118.887 121.059 -2.172 17811 6986 1 7 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.075 0.946 17811 6987 1 7 . 1 1 178 178 ALA C C 178 179.901 179.901 178.455 1.446 17811 6988 1 7 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.605 0.063 17811 6989 1 7 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.131 1.493 17811 6990 1 7 . 1 1 178 178 ALA H H 178 8.237 8.237 7.596 0.641 17811 6991 1 7 . 1 1 179 179 GLN N N 179 112.225 112.225 115.802 -3.577 17811 6992 1 7 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.599 -0.159 17811 6993 1 7 . 1 1 179 179 GLN C C 179 177.254 177.254 176.332 0.922 17811 6994 1 7 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.782 -0.155 17811 6995 1 7 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.425 -1.663 17811 6996 1 7 . 1 1 179 179 GLN H H 179 8.646 8.646 8.435 0.211 17811 6997 1 7 . 1 1 180 180 GLY N N 180 109.528 109.528 106.792 2.736 17811 6998 1 7 . 1 1 180 180 GLY C C 180 173.095 173.095 173.668 -0.573 17811 6999 1 7 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.464 -1.619 17811 7000 1 7 . 1 1 180 180 GLY H H 180 7.811 7.811 7.558 0.253 17811 7001 1 7 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.800 -1.088 17811 7002 1 7 . 1 1 181 181 LEU C C 181 177.257 177.257 177.619 -0.362 17811 7003 1 7 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.672 2.791 17811 7004 1 7 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.310 0.301 17811 7005 1 7 . 1 1 182 182 GLU N N 182 116.836 116.836 122.095 -5.259 17811 7006 1 7 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.185 0.042 17811 7007 1 7 . 1 1 182 182 GLU C C 182 176.406 176.406 176.044 0.362 17811 7008 1 7 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.368 1.355 17811 7009 1 7 . 1 1 182 182 GLU CB C 182 26.720 26.720 26.815 -0.095 17811 7010 1 7 . 1 1 182 182 GLU H H 182 8.909 8.909 8.651 0.258 17811 7011 1 7 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.471 -0.234 17811 7012 1 7 . 1 1 183 183 PRO C C 183 179.992 179.992 177.530 2.462 17811 7013 1 7 . 1 1 183 183 PRO CA C 183 65.217 65.217 64.665 0.552 17811 7014 1 7 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.156 0.017 17811 7015 1 7 . 1 1 184 184 ALA N N 184 118.151 118.151 121.318 -3.167 17811 7016 1 7 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.084 -0.249 17811 7017 1 7 . 1 1 184 184 ALA C C 184 179.526 179.526 179.495 0.031 17811 7018 1 7 . 1 1 184 184 ALA CA C 184 55.490 55.490 55.111 0.379 17811 7019 1 7 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.373 -0.215 17811 7020 1 7 . 1 1 184 184 ALA H H 184 7.350 7.350 8.051 -0.701 17811 7021 1 7 . 1 1 185 185 GLN N N 185 118.148 118.148 115.842 2.306 17811 7022 1 7 . 1 1 185 185 GLN HA H 185 3.006 3.006 4.045 -1.039 17811 7023 1 7 . 1 1 185 185 GLN C C 185 177.555 177.555 177.347 0.208 17811 7024 1 7 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.306 0.677 17811 7025 1 7 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.490 0.285 17811 7026 1 7 . 1 1 185 185 GLN H H 185 8.848 8.848 8.596 0.252 17811 7027 1 7 . 1 1 186 186 ASN N N 186 115.032 115.032 117.546 -2.514 17811 7028 1 7 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.633 -0.472 17811 7029 1 7 . 1 1 186 186 ASN C C 186 177.160 177.160 177.248 -0.088 17811 7030 1 7 . 1 1 186 186 ASN CA C 186 56.038 56.038 56.057 -0.019 17811 7031 1 7 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.447 -0.219 17811 7032 1 7 . 1 1 186 186 ASN H H 186 7.537 7.537 7.514 0.023 17811 7033 1 7 . 1 1 187 187 THR N N 187 114.421 114.421 115.574 -1.153 17811 7034 1 7 . 1 1 187 187 THR HA H 187 3.864 3.864 4.458 -0.594 17811 7035 1 7 . 1 1 187 187 THR C C 187 174.739 174.739 177.010 -2.271 17811 7036 1 7 . 1 1 187 187 THR CA C 187 65.422 65.422 65.658 -0.236 17811 7037 1 7 . 1 1 187 187 THR CB C 187 69.532 69.532 68.911 0.621 17811 7038 1 7 . 1 1 187 187 THR H H 187 7.120 7.120 7.812 -0.692 17811 7039 1 7 . 1 1 188 188 VAL N N 188 119.580 119.580 115.647 3.933 17811 7040 1 7 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.131 0.254 17811 7041 1 7 . 1 1 188 188 VAL C C 188 178.043 178.043 175.922 2.121 17811 7042 1 7 . 1 1 188 188 VAL CA C 188 64.326 64.326 64.612 -0.286 17811 7043 1 7 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.406 0.452 17811 7044 1 7 . 1 1 188 188 VAL H H 188 8.333 8.333 7.921 0.412 17811 7045 1 7 . 1 1 189 189 HIS N N 189 115.949 115.949 119.395 -3.446 17811 7046 1 7 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.764 -0.094 17811 7047 1 7 . 1 1 189 189 HIS C C 189 175.114 175.114 175.879 -0.765 17811 7048 1 7 . 1 1 189 189 HIS CA C 189 56.312 56.312 57.757 -1.445 17811 7049 1 7 . 1 1 189 189 HIS CB C 189 27.474 27.474 31.483 -4.009 17811 7050 1 7 . 1 1 189 189 HIS H H 189 8.674 8.674 7.528 1.146 17811 7051 1 7 . 1 1 190 190 ALA N N 190 120.346 120.346 121.930 -1.584 17811 7052 1 7 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.240 0.344 17811 7053 1 7 . 1 1 190 190 ALA C C 190 177.906 177.906 177.005 0.901 17811 7054 1 7 . 1 1 190 190 ALA CA C 190 51.791 51.791 53.319 -1.528 17811 7055 1 7 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.322 0.343 17811 7056 1 7 . 1 1 190 190 ALA H H 190 6.983 6.983 8.304 -1.321 17811 7057 1 8 . 1 1 2 2 ALA N N 2 125.183 125.183 127.463 -2.280 17811 7058 1 8 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.602 -0.425 17811 7059 1 8 . 1 1 2 2 ALA C C 2 174.029 174.029 176.570 -2.541 17811 7060 1 8 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.709 0.150 17811 7061 1 8 . 1 1 2 2 ALA CB C 2 19.596 19.596 20.162 -0.566 17811 7062 1 8 . 1 1 2 2 ALA H H 2 8.096 8.096 8.456 -0.360 17811 7063 1 8 . 1 1 3 3 GLU N N 3 113.075 113.075 119.392 -6.317 17811 7064 1 8 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.515 -0.316 17811 7065 1 8 . 1 1 3 3 GLU C C 3 175.812 175.812 174.261 1.551 17811 7066 1 8 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.975 -0.472 17811 7067 1 8 . 1 1 3 3 GLU CB C 3 31.584 31.584 29.630 1.954 17811 7068 1 8 . 1 1 3 3 GLU H H 3 7.483 7.483 8.262 -0.779 17811 7069 1 8 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.430 0.345 17811 7070 1 8 . 1 1 4 4 PRO C C 4 174.213 174.213 176.096 -1.883 17811 7071 1 8 . 1 1 4 4 PRO CA C 4 62.271 62.271 63.554 -1.283 17811 7072 1 8 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.900 2.629 17811 7073 1 8 . 1 1 5 5 LEU N N 5 120.181 120.181 125.094 -4.913 17811 7074 1 8 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.502 -0.202 17811 7075 1 8 . 1 1 5 5 LEU C C 5 174.926 174.926 176.148 -1.222 17811 7076 1 8 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.562 0.626 17811 7077 1 8 . 1 1 5 5 LEU CB C 5 45.694 45.694 43.909 1.785 17811 7078 1 8 . 1 1 5 5 LEU H H 5 7.953 7.953 7.953 0.000 17811 7079 1 8 . 1 1 6 6 LEU N N 6 124.663 124.663 123.974 0.689 17811 7080 1 8 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.797 0.490 17811 7081 1 8 . 1 1 6 6 LEU C C 6 173.293 173.293 175.264 -1.971 17811 7082 1 8 . 1 1 6 6 LEU CA C 6 52.887 52.887 54.133 -1.246 17811 7083 1 8 . 1 1 6 6 LEU CB C 6 45.694 45.694 42.909 2.785 17811 7084 1 8 . 1 1 6 6 LEU H H 6 8.456 8.456 8.532 -0.076 17811 7085 1 8 . 1 1 7 7 VAL N N 7 128.364 128.364 128.707 -0.343 17811 7086 1 8 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.948 0.051 17811 7087 1 8 . 1 1 7 7 VAL C C 7 174.006 174.006 174.778 -0.772 17811 7088 1 8 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.024 -0.671 17811 7089 1 8 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.616 0.082 17811 7090 1 8 . 1 1 7 7 VAL H H 7 9.456 9.456 9.200 0.256 17811 7091 1 8 . 1 1 8 8 VAL N N 8 126.000 126.000 127.582 -1.582 17811 7092 1 8 . 1 1 8 8 VAL HA H 8 5.054 5.054 5.193 -0.139 17811 7093 1 8 . 1 1 8 8 VAL C C 8 175.433 175.433 175.041 0.392 17811 7094 1 8 . 1 1 8 8 VAL CA C 8 59.737 59.737 59.937 -0.200 17811 7095 1 8 . 1 1 8 8 VAL CB C 8 35.556 35.556 35.017 0.538 17811 7096 1 8 . 1 1 8 8 VAL H H 8 9.571 9.571 8.271 1.300 17811 7097 1 8 . 1 1 9 9 GLY N N 9 112.757 112.757 113.878 -1.121 17811 7098 1 8 . 1 1 9 9 GLY C C 9 171.378 171.378 173.262 -1.884 17811 7099 1 8 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.660 1.144 17811 7100 1 8 . 1 1 9 9 GLY H H 9 8.692 8.692 8.049 0.643 17811 7101 1 8 . 1 1 10 10 LEU N N 10 119.466 119.466 122.808 -3.342 17811 7102 1 8 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.732 0.001 17811 7103 1 8 . 1 1 10 10 LEU C C 10 175.715 175.715 175.894 -0.179 17811 7104 1 8 . 1 1 10 10 LEU CA C 10 54.188 54.188 54.009 0.179 17811 7105 1 8 . 1 1 10 10 LEU CB C 10 42.543 42.543 41.567 0.976 17811 7106 1 8 . 1 1 10 10 LEU H H 10 7.147 7.147 7.666 -0.519 17811 7107 1 8 . 1 1 11 11 GLY N N 11 109.192 109.192 108.407 0.785 17811 7108 1 8 . 1 1 11 11 GLY C C 11 170.233 170.233 172.755 -2.522 17811 7109 1 8 . 1 1 11 11 GLY CA C 11 44.393 44.393 45.237 -0.844 17811 7110 1 8 . 1 1 11 11 GLY H H 11 7.281 7.281 8.103 -0.822 17811 7111 1 8 . 1 1 12 12 ASN N N 12 115.701 115.701 117.710 -2.009 17811 7112 1 8 . 1 1 12 12 ASN HA H 12 4.762 4.762 5.266 -0.504 17811 7113 1 8 . 1 1 12 12 ASN C C 12 173.746 173.746 173.024 0.722 17811 7114 1 8 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.857 -0.916 17811 7115 1 8 . 1 1 12 12 ASN CB C 12 41.516 41.516 39.870 1.645 17811 7116 1 8 . 1 1 12 12 ASN H H 12 8.946 8.946 9.258 -0.312 17811 7117 1 8 . 1 1 13 13 PRO HA H 13 4.415 4.415 3.977 0.438 17811 7118 1 8 . 1 1 13 13 PRO C C 13 177.498 177.498 176.507 0.991 17811 7119 1 8 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.593 -0.339 17811 7120 1 8 . 1 1 13 13 PRO CB C 13 31.926 31.926 30.753 1.173 17811 7121 1 8 . 1 1 14 14 GLY N N 14 108.978 108.978 112.382 -3.404 17811 7122 1 8 . 1 1 14 14 GLY C C 14 174.878 174.878 172.604 2.274 17811 7123 1 8 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.618 2.515 17811 7124 1 8 . 1 1 14 14 GLY H H 14 8.464 8.464 7.475 0.989 17811 7125 1 8 . 1 1 16 16 THR HA H 16 4.265 4.265 4.092 0.173 17811 7126 1 8 . 1 1 16 16 THR C C 16 175.848 175.848 176.240 -0.392 17811 7127 1 8 . 1 1 16 16 THR CA C 16 65.148 65.148 64.784 0.364 17811 7128 1 8 . 1 1 16 16 THR CB C 16 68.505 68.505 68.118 0.387 17811 7129 1 8 . 1 1 17 17 TYR N N 17 117.133 117.133 121.907 -4.774 17811 7130 1 8 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.612 0.045 17811 7131 1 8 . 1 1 17 17 TYR C C 17 177.649 177.649 177.769 -0.120 17811 7132 1 8 . 1 1 17 17 TYR CA C 17 58.367 58.367 58.101 0.266 17811 7133 1 8 . 1 1 17 17 TYR CB C 17 39.324 39.324 36.792 2.532 17811 7134 1 8 . 1 1 17 17 TYR H H 17 7.025 7.025 7.671 -0.646 17811 7135 1 8 . 1 1 18 18 ALA N N 18 122.126 122.126 119.931 2.195 17811 7136 1 8 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.262 0.092 17811 7137 1 8 . 1 1 18 18 ALA C C 18 178.212 178.212 177.739 0.473 17811 7138 1 8 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.451 2.176 17811 7139 1 8 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.382 1.557 17811 7140 1 8 . 1 1 18 18 ALA H H 18 7.100 7.100 7.499 -0.399 17811 7141 1 8 . 1 1 19 19 LYS N N 19 115.311 115.311 117.798 -2.487 17811 7142 1 8 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.408 0.275 17811 7143 1 8 . 1 1 19 19 LYS C C 19 175.640 175.640 176.030 -0.390 17811 7144 1 8 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.380 -0.438 17811 7145 1 8 . 1 1 19 19 LYS CB C 19 32.063 32.063 31.539 0.524 17811 7146 1 8 . 1 1 19 19 LYS H H 19 8.648 8.648 7.466 1.182 17811 7147 1 8 . 1 1 20 20 THR N N 20 108.478 108.478 110.041 -1.563 17811 7148 1 8 . 1 1 20 20 THR HA H 20 4.392 4.392 4.803 -0.411 17811 7149 1 8 . 1 1 20 20 THR C C 20 175.752 175.752 175.772 -0.020 17811 7150 1 8 . 1 1 20 20 THR CA C 20 60.970 60.970 59.675 1.295 17811 7151 1 8 . 1 1 20 20 THR CB C 20 72.932 72.932 71.636 1.296 17811 7152 1 8 . 1 1 20 20 THR H H 20 7.349 7.349 7.462 -0.113 17811 7153 1 8 . 1 1 21 21 ARG N N 21 117.638 117.638 122.068 -4.430 17811 7154 1 8 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.190 -0.484 17811 7155 1 8 . 1 1 21 21 ARG C C 21 177.480 177.480 176.406 1.074 17811 7156 1 8 . 1 1 21 21 ARG CA C 21 60.083 60.083 58.135 1.948 17811 7157 1 8 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.735 0.222 17811 7158 1 8 . 1 1 21 21 ARG H H 21 7.011 7.011 9.029 -2.018 17811 7159 1 8 . 1 1 22 22 HIS N N 22 115.074 115.074 116.821 -1.747 17811 7160 1 8 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.642 -0.781 17811 7161 1 8 . 1 1 22 22 HIS C C 22 173.274 173.274 174.506 -1.232 17811 7162 1 8 . 1 1 22 22 HIS CA C 22 53.434 53.434 57.238 -3.804 17811 7163 1 8 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.945 -0.485 17811 7164 1 8 . 1 1 22 22 HIS H H 22 8.162 8.162 8.282 -0.120 17811 7165 1 8 . 1 1 23 23 ASN N N 23 116.439 116.439 118.982 -2.543 17811 7166 1 8 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.861 -0.076 17811 7167 1 8 . 1 1 23 23 ASN C C 23 177.104 177.104 176.757 0.347 17811 7168 1 8 . 1 1 23 23 ASN CA C 23 53.024 53.024 51.783 1.241 17811 7169 1 8 . 1 1 23 23 ASN CB C 23 38.776 38.776 38.117 0.659 17811 7170 1 8 . 1 1 23 23 ASN H H 23 7.730 7.730 7.712 0.018 17811 7171 1 8 . 1 1 24 24 LEU N N 24 123.226 123.226 120.261 2.965 17811 7172 1 8 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.243 0.103 17811 7173 1 8 . 1 1 24 24 LEU C C 24 178.681 178.681 178.292 0.389 17811 7174 1 8 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.949 1.583 17811 7175 1 8 . 1 1 24 24 LEU CB C 24 43.982 43.982 39.739 4.243 17811 7176 1 8 . 1 1 24 24 LEU H H 24 7.939 7.939 7.270 0.669 17811 7177 1 8 . 1 1 25 25 GLY N N 25 104.146 104.146 108.280 -4.134 17811 7178 1 8 . 1 1 25 25 GLY C C 25 176.635 176.635 175.767 0.868 17811 7179 1 8 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.298 1.342 17811 7180 1 8 . 1 1 25 25 GLY H H 25 9.209 9.209 8.095 1.114 17811 7181 1 8 . 1 1 26 26 PHE N N 26 123.654 123.654 122.907 0.747 17811 7182 1 8 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.314 -0.195 17811 7183 1 8 . 1 1 26 26 PHE C C 26 177.498 177.498 177.115 0.383 17811 7184 1 8 . 1 1 26 26 PHE CA C 26 58.778 58.778 60.945 -2.167 17811 7185 1 8 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.614 -2.345 17811 7186 1 8 . 1 1 26 26 PHE H H 26 7.089 7.089 7.589 -0.500 17811 7187 1 8 . 1 1 27 27 MET N N 27 117.508 117.508 118.143 -0.635 17811 7188 1 8 . 1 1 27 27 MET HA H 27 4.257 4.257 4.255 0.002 17811 7189 1 8 . 1 1 27 27 MET C C 27 179.977 179.977 178.443 1.534 17811 7190 1 8 . 1 1 27 27 MET CA C 27 59.839 59.839 56.848 2.991 17811 7191 1 8 . 1 1 27 27 MET CB C 27 33.377 33.377 31.958 1.419 17811 7192 1 8 . 1 1 27 27 MET H H 27 8.061 8.061 7.793 0.268 17811 7193 1 8 . 1 1 28 28 VAL N N 28 119.068 119.068 120.111 -1.043 17811 7194 1 8 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.544 0.078 17811 7195 1 8 . 1 1 28 28 VAL C C 28 177.818 177.818 177.370 0.448 17811 7196 1 8 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.747 -0.777 17811 7197 1 8 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.207 0.856 17811 7198 1 8 . 1 1 28 28 VAL H H 28 8.325 8.325 8.908 -0.583 17811 7199 1 8 . 1 1 29 29 ALA N N 29 123.327 123.327 121.140 2.187 17811 7200 1 8 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.917 0.111 17811 7201 1 8 . 1 1 29 29 ALA C C 29 178.831 178.831 179.042 -0.211 17811 7202 1 8 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.191 0.847 17811 7203 1 8 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.029 -0.556 17811 7204 1 8 . 1 1 29 29 ALA H H 29 8.647 8.647 7.628 1.019 17811 7205 1 8 . 1 1 30 30 ASP N N 30 118.148 118.148 118.960 -0.812 17811 7206 1 8 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.311 0.368 17811 7207 1 8 . 1 1 30 30 ASP C C 30 180.089 180.089 178.254 1.835 17811 7208 1 8 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.226 0.935 17811 7209 1 8 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.963 -1.297 17811 7210 1 8 . 1 1 30 30 ASP H H 30 8.574 8.574 7.376 1.198 17811 7211 1 8 . 1 1 31 31 VAL N N 31 123.410 123.410 118.225 5.185 17811 7212 1 8 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.664 0.131 17811 7213 1 8 . 1 1 31 31 VAL C C 31 180.070 180.070 177.605 2.465 17811 7214 1 8 . 1 1 31 31 VAL CA C 31 66.724 66.724 66.100 0.624 17811 7215 1 8 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.447 0.137 17811 7216 1 8 . 1 1 31 31 VAL H H 31 7.482 7.482 8.172 -0.690 17811 7217 1 8 . 1 1 32 32 LEU N N 32 121.772 121.772 119.748 2.024 17811 7218 1 8 . 1 1 32 32 LEU HA H 32 3.866 3.866 3.931 -0.065 17811 7219 1 8 . 1 1 32 32 LEU C C 32 178.249 178.249 178.995 -0.746 17811 7220 1 8 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.575 0.792 17811 7221 1 8 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.074 1.195 17811 7222 1 8 . 1 1 32 32 LEU H H 32 8.785 8.785 7.846 0.939 17811 7223 1 8 . 1 1 33 33 ALA N N 33 122.901 122.901 121.562 1.339 17811 7224 1 8 . 1 1 33 33 ALA HA H 33 3.610 3.610 3.988 -0.378 17811 7225 1 8 . 1 1 33 33 ALA C C 33 179.808 179.808 179.943 -0.135 17811 7226 1 8 . 1 1 33 33 ALA CA C 33 55.832 55.832 55.088 0.744 17811 7227 1 8 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.055 0.514 17811 7228 1 8 . 1 1 33 33 ALA H H 33 8.711 8.711 7.582 1.129 17811 7229 1 8 . 1 1 34 34 GLY N N 34 105.309 105.309 105.470 -0.161 17811 7230 1 8 . 1 1 34 34 GLY C C 34 176.184 176.184 176.453 -0.269 17811 7231 1 8 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.516 0.274 17811 7232 1 8 . 1 1 34 34 GLY H H 34 7.665 7.665 8.235 -0.570 17811 7233 1 8 . 1 1 35 35 ARG N N 35 121.117 121.117 119.859 1.258 17811 7234 1 8 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.175 -0.060 17811 7235 1 8 . 1 1 35 35 ARG C C 35 178.812 178.812 178.016 0.796 17811 7236 1 8 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.658 1.736 17811 7237 1 8 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.862 -0.196 17811 7238 1 8 . 1 1 35 35 ARG H H 35 7.623 7.623 7.495 0.128 17811 7239 1 8 . 1 1 36 36 ILE N N 36 120.413 120.413 117.717 2.696 17811 7240 1 8 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.043 -0.321 17811 7241 1 8 . 1 1 36 36 ILE C C 36 177.142 177.142 176.300 0.842 17811 7242 1 8 . 1 1 36 36 ILE CA C 36 64.600 64.600 60.586 4.014 17811 7243 1 8 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.560 0.216 17811 7244 1 8 . 1 1 36 36 ILE H H 36 7.950 7.950 7.660 0.290 17811 7245 1 8 . 1 1 37 37 GLY N N 37 107.419 107.419 109.546 -2.127 17811 7246 1 8 . 1 1 37 37 GLY C C 37 174.307 174.307 174.043 0.264 17811 7247 1 8 . 1 1 37 37 GLY CA C 37 45.420 45.420 45.040 0.380 17811 7248 1 8 . 1 1 37 37 GLY H H 37 8.305 8.305 7.563 0.742 17811 7249 1 8 . 1 1 38 38 SER N N 38 113.320 113.320 117.341 -4.021 17811 7250 1 8 . 1 1 38 38 SER HA H 38 4.683 4.683 4.780 -0.097 17811 7251 1 8 . 1 1 38 38 SER C C 38 171.472 171.472 172.682 -1.210 17811 7252 1 8 . 1 1 38 38 SER CA C 38 56.654 56.654 57.832 -1.178 17811 7253 1 8 . 1 1 38 38 SER CB C 38 66.244 66.244 65.480 0.764 17811 7254 1 8 . 1 1 38 38 SER H H 38 7.101 7.101 8.191 -1.090 17811 7255 1 8 . 1 1 39 39 ALA N N 39 123.838 123.838 127.461 -3.623 17811 7256 1 8 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.686 -0.284 17811 7257 1 8 . 1 1 39 39 ALA C C 39 177.708 177.708 175.692 2.016 17811 7258 1 8 . 1 1 39 39 ALA CA C 39 50.695 50.695 52.416 -1.722 17811 7259 1 8 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.914 -0.290 17811 7260 1 8 . 1 1 39 39 ALA H H 39 8.032 8.032 8.288 -0.256 17811 7261 1 8 . 1 1 40 40 PHE N N 40 118.117 118.117 121.278 -3.161 17811 7262 1 8 . 1 1 40 40 PHE HA H 40 4.039 4.039 5.219 -1.180 17811 7263 1 8 . 1 1 40 40 PHE C C 40 176.672 176.672 174.118 2.554 17811 7264 1 8 . 1 1 40 40 PHE CA C 40 59.942 59.942 57.537 2.405 17811 7265 1 8 . 1 1 40 40 PHE CB C 40 40.694 40.694 40.873 -0.179 17811 7266 1 8 . 1 1 40 40 PHE H H 40 8.066 8.066 8.652 -0.586 17811 7267 1 8 . 1 1 41 41 LYS N N 41 120.915 120.915 118.534 2.381 17811 7268 1 8 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.549 0.213 17811 7269 1 8 . 1 1 41 41 LYS C C 41 176.034 176.034 174.668 1.366 17811 7270 1 8 . 1 1 41 41 LYS CA C 41 54.736 54.736 55.160 -0.424 17811 7271 1 8 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.603 1.707 17811 7272 1 8 . 1 1 41 41 LYS H H 41 8.593 8.593 8.285 0.308 17811 7273 1 8 . 1 1 42 42 VAL N N 42 123.504 123.504 121.295 2.209 17811 7274 1 8 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.245 -0.413 17811 7275 1 8 . 1 1 42 42 VAL C C 42 175.377 175.377 175.352 0.025 17811 7276 1 8 . 1 1 42 42 VAL CA C 42 64.874 64.874 63.403 1.471 17811 7277 1 8 . 1 1 42 42 VAL CB C 42 31.926 31.926 32.120 -0.194 17811 7278 1 8 . 1 1 42 42 VAL H H 42 8.707 8.707 8.292 0.415 17811 7279 1 8 . 1 1 43 43 HIS N N 43 132.195 132.195 128.645 3.550 17811 7280 1 8 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.821 -0.296 17811 7281 1 8 . 1 1 43 43 HIS C C 43 175.104 175.104 174.357 0.747 17811 7282 1 8 . 1 1 43 43 HIS CA C 43 56.106 56.106 55.599 0.507 17811 7283 1 8 . 1 1 43 43 HIS CB C 43 31.721 31.721 32.549 -0.828 17811 7284 1 8 . 1 1 43 43 HIS H H 43 9.354 9.354 8.497 0.857 17811 7285 1 8 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.139 -0.199 17811 7286 1 8 . 1 1 45 45 LYS C C 45 177.001 177.001 176.637 0.364 17811 7287 1 8 . 1 1 45 45 LYS CA C 45 58.367 58.367 57.910 0.457 17811 7288 1 8 . 1 1 45 45 LYS CB C 45 32.200 32.200 32.143 0.057 17811 7289 1 8 . 1 1 46 46 SER N N 46 111.577 111.577 112.971 -1.394 17811 7290 1 8 . 1 1 46 46 SER HA H 46 4.414 4.414 4.567 -0.153 17811 7291 1 8 . 1 1 46 46 SER C C 46 174.926 174.926 175.310 -0.384 17811 7292 1 8 . 1 1 46 46 SER CA C 46 60.011 60.011 58.017 1.994 17811 7293 1 8 . 1 1 46 46 SER CB C 46 65.354 65.354 63.221 2.133 17811 7294 1 8 . 1 1 46 46 SER H H 46 7.746 7.746 7.680 0.066 17811 7295 1 8 . 1 1 47 47 GLY N N 47 112.402 112.402 110.194 2.208 17811 7296 1 8 . 1 1 47 47 GLY C C 47 173.180 173.180 173.551 -0.371 17811 7297 1 8 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.736 0.479 17811 7298 1 8 . 1 1 47 47 GLY H H 47 8.692 8.692 8.121 0.571 17811 7299 1 8 . 1 1 48 48 ALA N N 48 120.322 120.322 122.868 -2.546 17811 7300 1 8 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.469 -0.053 17811 7301 1 8 . 1 1 48 48 ALA C C 48 175.621 175.621 177.505 -1.884 17811 7302 1 8 . 1 1 48 48 ALA CA C 48 51.585 51.585 51.421 0.164 17811 7303 1 8 . 1 1 48 48 ALA CB C 48 19.802 19.802 20.046 -0.244 17811 7304 1 8 . 1 1 48 48 ALA H H 48 7.740 7.740 8.293 -0.553 17811 7305 1 8 . 1 1 49 49 GLU N N 49 116.907 116.907 118.860 -1.953 17811 7306 1 8 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.312 0.614 17811 7307 1 8 . 1 1 49 49 GLU C C 49 176.184 176.184 174.922 1.262 17811 7308 1 8 . 1 1 49 49 GLU CA C 49 55.558 55.558 57.081 -1.523 17811 7309 1 8 . 1 1 49 49 GLU CB C 49 31.858 31.858 29.905 1.953 17811 7310 1 8 . 1 1 49 49 GLU H H 49 8.262 8.262 8.228 0.034 17811 7311 1 8 . 1 1 50 50 VAL N N 50 117.403 117.403 126.087 -8.684 17811 7312 1 8 . 1 1 50 50 VAL HA H 50 5.840 5.840 4.763 1.077 17811 7313 1 8 . 1 1 50 50 VAL C C 50 176.053 176.053 174.137 1.916 17811 7314 1 8 . 1 1 50 50 VAL CA C 50 60.011 60.011 61.264 -1.253 17811 7315 1 8 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.042 3.049 17811 7316 1 8 . 1 1 50 50 VAL H H 50 9.223 9.223 8.104 1.119 17811 7317 1 8 . 1 1 51 51 VAL N N 51 125.278 125.278 125.725 -0.447 17811 7318 1 8 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.679 -0.528 17811 7319 1 8 . 1 1 51 51 VAL C C 51 173.706 173.706 174.021 -0.315 17811 7320 1 8 . 1 1 51 51 VAL CA C 51 61.449 61.449 59.956 1.493 17811 7321 1 8 . 1 1 51 51 VAL CB C 51 35.899 35.899 34.310 1.589 17811 7322 1 8 . 1 1 51 51 VAL H H 51 9.266 9.266 9.057 0.209 17811 7323 1 8 . 1 1 52 52 THR N N 52 115.674 115.674 124.975 -9.301 17811 7324 1 8 . 1 1 52 52 THR HA H 52 5.168 5.168 4.635 0.533 17811 7325 1 8 . 1 1 52 52 THR C C 52 173.669 173.669 174.322 -0.653 17811 7326 1 8 . 1 1 52 52 THR CA C 52 58.709 58.709 62.587 -3.878 17811 7327 1 8 . 1 1 52 52 THR CB C 52 70.628 70.628 68.783 1.845 17811 7328 1 8 . 1 1 52 52 THR H H 52 8.243 8.243 8.032 0.211 17811 7329 1 8 . 1 1 53 53 GLY N N 53 108.122 108.122 112.213 -4.091 17811 7330 1 8 . 1 1 53 53 GLY C C 53 170.721 170.721 171.839 -1.118 17811 7331 1 8 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.072 1.417 17811 7332 1 8 . 1 1 53 53 GLY H H 53 7.908 7.908 8.119 -0.211 17811 7333 1 8 . 1 1 54 54 ARG N N 54 120.750 120.750 119.925 0.825 17811 7334 1 8 . 1 1 54 54 ARG HA H 54 5.105 5.105 5.212 -0.107 17811 7335 1 8 . 1 1 54 54 ARG C C 54 175.095 175.095 174.888 0.207 17811 7336 1 8 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.257 -0.247 17811 7337 1 8 . 1 1 54 54 ARG CB C 54 32.474 32.474 31.348 1.126 17811 7338 1 8 . 1 1 54 54 ARG H H 54 8.379 8.379 8.451 -0.072 17811 7339 1 8 . 1 1 55 55 LEU N N 55 123.787 123.787 125.442 -1.655 17811 7340 1 8 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.618 -0.191 17811 7341 1 8 . 1 1 55 55 LEU C C 55 175.058 175.058 176.898 -1.840 17811 7342 1 8 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.540 0.032 17811 7343 1 8 . 1 1 55 55 LEU CB C 55 45.968 45.968 44.050 1.918 17811 7344 1 8 . 1 1 55 55 LEU H H 55 8.777 8.777 7.971 0.806 17811 7345 1 8 . 1 1 56 56 ALA N N 56 127.548 127.548 126.012 1.536 17811 7346 1 8 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.947 -0.017 17811 7347 1 8 . 1 1 56 56 ALA C C 56 177.855 177.855 177.611 0.244 17811 7348 1 8 . 1 1 56 56 ALA CA C 56 53.092 53.092 54.186 -1.094 17811 7349 1 8 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.938 -0.328 17811 7350 1 8 . 1 1 56 56 ALA H H 56 9.275 9.275 9.041 0.234 17811 7351 1 8 . 1 1 57 57 GLY N N 57 103.215 103.215 105.899 -2.684 17811 7352 1 8 . 1 1 57 57 GLY C C 57 174.157 174.157 173.384 0.773 17811 7353 1 8 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.196 0.498 17811 7354 1 8 . 1 1 57 57 GLY H H 57 8.507 8.507 8.494 0.013 17811 7355 1 8 . 1 1 58 58 THR N N 58 119.802 119.802 117.234 2.568 17811 7356 1 8 . 1 1 58 58 THR HA H 58 4.411 4.411 4.691 -0.280 17811 7357 1 8 . 1 1 58 58 THR C C 58 172.711 172.711 173.358 -0.647 17811 7358 1 8 . 1 1 58 58 THR CA C 58 62.134 62.134 60.718 1.416 17811 7359 1 8 . 1 1 58 58 THR CB C 58 71.313 71.313 71.440 -0.127 17811 7360 1 8 . 1 1 58 58 THR H H 58 8.017 8.017 7.930 0.087 17811 7361 1 8 . 1 1 59 59 SER N N 59 122.901 122.901 122.073 0.828 17811 7362 1 8 . 1 1 59 59 SER HA H 59 4.492 4.492 4.975 -0.483 17811 7363 1 8 . 1 1 59 59 SER C C 59 173.537 173.537 174.218 -0.681 17811 7364 1 8 . 1 1 59 59 SER CA C 59 59.600 59.600 57.874 1.726 17811 7365 1 8 . 1 1 59 59 SER CB C 59 63.367 63.367 62.837 0.530 17811 7366 1 8 . 1 1 59 59 SER H H 59 9.013 9.013 8.644 0.369 17811 7367 1 8 . 1 1 60 60 VAL N N 60 119.354 119.354 118.687 0.667 17811 7368 1 8 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.531 0.529 17811 7369 1 8 . 1 1 60 60 VAL C C 60 174.926 174.926 174.333 0.593 17811 7370 1 8 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.425 -0.099 17811 7371 1 8 . 1 1 60 60 VAL CB C 60 36.378 36.378 34.586 1.792 17811 7372 1 8 . 1 1 60 60 VAL H H 60 8.836 8.836 8.840 -0.004 17811 7373 1 8 . 1 1 61 61 VAL N N 61 124.480 124.480 121.924 2.556 17811 7374 1 8 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.084 0.081 17811 7375 1 8 . 1 1 61 61 VAL C C 61 173.218 173.218 174.211 -0.993 17811 7376 1 8 . 1 1 61 61 VAL CA C 61 61.929 61.929 61.826 0.103 17811 7377 1 8 . 1 1 61 61 VAL CB C 61 32.474 32.474 31.236 1.238 17811 7378 1 8 . 1 1 61 61 VAL H H 61 8.507 8.507 8.934 -0.427 17811 7379 1 8 . 1 1 62 62 LEU N N 62 129.499 129.499 130.607 -1.108 17811 7380 1 8 . 1 1 62 62 LEU HA H 62 5.472 5.472 5.143 0.329 17811 7381 1 8 . 1 1 62 62 LEU C C 62 175.095 175.095 174.501 0.594 17811 7382 1 8 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.290 -0.540 17811 7383 1 8 . 1 1 62 62 LEU CB C 62 44.872 44.872 43.920 0.952 17811 7384 1 8 . 1 1 62 62 LEU H H 62 9.202 9.202 7.896 1.306 17811 7385 1 8 . 1 1 63 63 ALA N N 63 126.661 126.661 130.185 -3.524 17811 7386 1 8 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.529 0.343 17811 7387 1 8 . 1 1 63 63 ALA C C 63 175.583 175.583 175.812 -0.229 17811 7388 1 8 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.000 0.284 17811 7389 1 8 . 1 1 63 63 ALA CB C 63 25.556 25.556 22.802 2.754 17811 7390 1 8 . 1 1 63 63 ALA H H 63 9.567 9.567 9.294 0.273 17811 7391 1 8 . 1 1 64 64 LYS N N 64 117.967 117.967 121.774 -3.807 17811 7392 1 8 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.175 -0.175 17811 7393 1 8 . 1 1 64 64 LYS C C 64 174.057 174.057 174.465 -0.408 17811 7394 1 8 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.759 0.539 17811 7395 1 8 . 1 1 64 64 LYS CB C 64 34.734 34.734 33.043 1.691 17811 7396 1 8 . 1 1 64 64 LYS H H 64 8.422 8.422 8.925 -0.503 17811 7397 1 8 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.464 0.070 17811 7398 1 8 . 1 1 65 65 PRO C C 65 174.946 174.946 176.733 -1.787 17811 7399 1 8 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.861 -0.179 17811 7400 1 8 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.473 0.275 17811 7401 1 8 . 1 1 66 66 ARG N N 66 121.057 121.057 120.838 0.219 17811 7402 1 8 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.400 0.117 17811 7403 1 8 . 1 1 66 66 ARG C C 66 175.264 175.264 175.053 0.211 17811 7404 1 8 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.794 -1.852 17811 7405 1 8 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.497 0.744 17811 7406 1 8 . 1 1 66 66 ARG H H 66 9.377 9.377 8.668 0.709 17811 7407 1 8 . 1 1 67 67 CYS N N 67 115.093 115.093 116.075 -0.982 17811 7408 1 8 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.559 0.147 17811 7409 1 8 . 1 1 67 67 CYS C C 67 172.092 172.092 173.579 -1.487 17811 7410 1 8 . 1 1 67 67 CYS CA C 67 54.325 54.325 56.500 -2.175 17811 7411 1 8 . 1 1 67 67 CYS CB C 67 30.899 30.899 31.232 -0.333 17811 7412 1 8 . 1 1 67 67 CYS H H 67 7.303 7.303 7.417 -0.114 17811 7413 1 8 . 1 1 68 68 TYR N N 68 115.888 115.888 116.443 -0.555 17811 7414 1 8 . 1 1 68 68 TYR HA H 68 4.420 4.420 5.048 -0.628 17811 7415 1 8 . 1 1 68 68 TYR C C 68 178.080 178.080 177.295 0.785 17811 7416 1 8 . 1 1 68 68 TYR CA C 68 59.874 59.874 56.836 3.038 17811 7417 1 8 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.748 -0.383 17811 7418 1 8 . 1 1 68 68 TYR H H 68 8.201 8.201 7.775 0.426 17811 7419 1 8 . 1 1 69 69 MET N N 69 119.802 119.802 119.182 0.620 17811 7420 1 8 . 1 1 69 69 MET HA H 69 4.137 4.137 4.011 0.126 17811 7421 1 8 . 1 1 69 69 MET C C 69 175.076 175.076 177.654 -2.578 17811 7422 1 8 . 1 1 69 69 MET CA C 69 58.641 58.641 58.688 -0.047 17811 7423 1 8 . 1 1 69 69 MET CB C 69 33.090 33.090 31.453 1.637 17811 7424 1 8 . 1 1 69 69 MET H H 69 8.367 8.367 8.268 0.099 17811 7425 1 8 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.435 -0.140 17811 7426 1 8 . 1 1 70 70 ASN C C 70 175.274 175.274 176.845 -1.571 17811 7427 1 8 . 1 1 70 70 ASN CA C 70 55.284 55.284 55.858 -0.575 17811 7428 1 8 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.325 -0.852 17811 7429 1 8 . 1 1 71 71 GLU N N 71 117.111 117.111 116.505 0.606 17811 7430 1 8 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.208 0.546 17811 7431 1 8 . 1 1 71 71 GLU C C 71 176.823 176.823 176.703 0.120 17811 7432 1 8 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.773 -1.351 17811 7433 1 8 . 1 1 71 71 GLU CB C 71 31.036 31.036 27.957 3.079 17811 7434 1 8 . 1 1 71 71 GLU H H 71 8.007 8.007 8.202 -0.195 17811 7435 1 8 . 1 1 72 72 SER N N 72 115.827 115.827 116.270 -0.443 17811 7436 1 8 . 1 1 72 72 SER HA H 72 4.726 4.726 4.209 0.517 17811 7437 1 8 . 1 1 72 72 SER C C 72 177.029 177.029 176.474 0.555 17811 7438 1 8 . 1 1 72 72 SER CA C 72 63.778 63.778 60.771 3.007 17811 7439 1 8 . 1 1 72 72 SER CB C 72 63.890 63.890 62.964 0.926 17811 7440 1 8 . 1 1 72 72 SER H H 72 7.703 7.703 7.581 0.122 17811 7441 1 8 . 1 1 73 73 GLY N N 73 109.887 109.887 108.751 1.136 17811 7442 1 8 . 1 1 73 73 GLY C C 73 173.988 173.988 175.846 -1.858 17811 7443 1 8 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.910 1.524 17811 7444 1 8 . 1 1 73 73 GLY H H 73 9.527 9.527 7.874 1.653 17811 7445 1 8 . 1 1 74 74 ARG N N 74 119.068 119.068 118.071 0.997 17811 7446 1 8 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.197 -0.018 17811 7447 1 8 . 1 1 74 74 ARG C C 74 176.973 176.973 177.361 -0.388 17811 7448 1 8 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.438 0.586 17811 7449 1 8 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.058 0.608 17811 7450 1 8 . 1 1 74 74 ARG H H 74 8.207 8.207 7.308 0.899 17811 7451 1 8 . 1 1 75 75 GLN N N 75 113.474 113.474 117.577 -4.103 17811 7452 1 8 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.410 0.213 17811 7453 1 8 . 1 1 75 75 GLN C C 75 175.840 175.840 177.671 -1.831 17811 7454 1 8 . 1 1 75 75 GLN CA C 75 57.613 57.613 57.504 0.109 17811 7455 1 8 . 1 1 75 75 GLN CB C 75 29.597 29.597 29.870 -0.273 17811 7456 1 8 . 1 1 75 75 GLN H H 75 7.260 7.260 7.883 -0.623 17811 7457 1 8 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.727 -0.297 17811 7458 1 8 . 1 1 76 76 VAL C C 76 176.463 176.463 178.020 -1.557 17811 7459 1 8 . 1 1 76 76 VAL CA C 76 66.998 66.998 66.414 0.584 17811 7460 1 8 . 1 1 76 76 VAL CB C 76 32.474 32.474 30.874 1.600 17811 7461 1 8 . 1 1 77 77 GLY N N 77 104.918 104.918 108.288 -3.370 17811 7462 1 8 . 1 1 77 77 GLY C C 77 175.472 175.472 173.328 2.144 17811 7463 1 8 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.351 -0.122 17811 7464 1 8 . 1 1 77 77 GLY H H 77 8.541 8.541 7.970 0.571 17811 7465 1 8 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.001 0.216 17811 7466 1 8 . 1 1 78 78 PRO C C 78 179.208 179.208 178.323 0.885 17811 7467 1 8 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.053 0.095 17811 7468 1 8 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.489 0.779 17811 7469 1 8 . 1 1 79 79 LEU N N 79 119.649 119.649 119.536 0.113 17811 7470 1 8 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.173 -0.219 17811 7471 1 8 . 1 1 79 79 LEU C C 79 177.367 177.367 178.588 -1.221 17811 7472 1 8 . 1 1 79 79 LEU CA C 79 58.504 58.504 58.480 0.024 17811 7473 1 8 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.554 1.332 17811 7474 1 8 . 1 1 79 79 LEU H H 79 7.466 7.466 7.948 -0.482 17811 7475 1 8 . 1 1 80 80 ALA N N 80 120.470 120.470 120.142 0.328 17811 7476 1 8 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.007 -0.119 17811 7477 1 8 . 1 1 80 80 ALA C C 80 179.939 179.939 179.369 0.570 17811 7478 1 8 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.258 0.232 17811 7479 1 8 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.177 -0.567 17811 7480 1 8 . 1 1 80 80 ALA H H 80 8.279 8.279 8.211 0.068 17811 7481 1 8 . 1 1 81 81 LYS N N 81 116.408 116.408 118.962 -2.554 17811 7482 1 8 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.078 0.016 17811 7483 1 8 . 1 1 81 81 LYS C C 81 179.920 179.920 179.032 0.888 17811 7484 1 8 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.816 0.099 17811 7485 1 8 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.311 0.026 17811 7486 1 8 . 1 1 81 81 LYS H H 81 7.798 7.798 7.344 0.454 17811 7487 1 8 . 1 1 82 82 PHE N N 82 121.199 121.199 116.957 4.242 17811 7488 1 8 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.269 -0.234 17811 7489 1 8 . 1 1 82 82 PHE C C 82 177.254 177.254 177.628 -0.374 17811 7490 1 8 . 1 1 82 82 PHE CA C 82 61.449 61.449 60.189 1.260 17811 7491 1 8 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.920 -0.007 17811 7492 1 8 . 1 1 82 82 PHE H H 82 8.489 8.489 8.368 0.121 17811 7493 1 8 . 1 1 83 83 TYR N N 83 114.176 114.176 116.138 -1.962 17811 7494 1 8 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.497 -0.093 17811 7495 1 8 . 1 1 83 83 TYR C C 83 173.368 173.368 175.177 -1.809 17811 7496 1 8 . 1 1 83 83 TYR CA C 83 59.600 59.600 59.226 0.374 17811 7497 1 8 . 1 1 83 83 TYR CB C 83 39.050 39.050 39.036 0.014 17811 7498 1 8 . 1 1 83 83 TYR H H 83 7.634 7.634 7.630 0.004 17811 7499 1 8 . 1 1 84 84 SER N N 84 114.910 114.910 112.416 2.494 17811 7500 1 8 . 1 1 84 84 SER HA H 84 4.020 4.020 4.200 -0.180 17811 7501 1 8 . 1 1 84 84 SER C C 84 173.518 173.518 173.998 -0.480 17811 7502 1 8 . 1 1 84 84 SER CA C 84 58.367 58.367 59.340 -0.973 17811 7503 1 8 . 1 1 84 84 SER CB C 84 61.244 61.244 61.533 -0.290 17811 7504 1 8 . 1 1 84 84 SER H H 84 7.674 7.674 7.630 0.044 17811 7505 1 8 . 1 1 85 85 VAL N N 85 120.291 120.291 114.845 5.446 17811 7506 1 8 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.606 -0.649 17811 7507 1 8 . 1 1 85 85 VAL C C 85 174.171 174.171 173.619 0.552 17811 7508 1 8 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.903 0.423 17811 7509 1 8 . 1 1 85 85 VAL CB C 85 33.296 33.296 32.827 0.469 17811 7510 1 8 . 1 1 85 85 VAL H H 85 8.456 8.456 7.798 0.658 17811 7511 1 8 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.436 -0.080 17811 7512 1 8 . 1 1 89 89 GLN C C 89 179.299 179.299 177.042 2.257 17811 7513 1 8 . 1 1 89 89 GLN CA C 89 55.832 55.832 55.134 0.698 17811 7514 1 8 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.078 0.177 17811 7515 1 8 . 1 1 90 90 ILE N N 90 119.343 119.343 114.896 4.447 17811 7516 1 8 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.382 -0.320 17811 7517 1 8 . 1 1 90 90 ILE C C 90 175.020 175.020 175.106 -0.086 17811 7518 1 8 . 1 1 90 90 ILE CA C 90 60.627 60.627 60.782 -0.156 17811 7519 1 8 . 1 1 90 90 ILE CB C 90 38.365 38.365 39.230 -0.865 17811 7520 1 8 . 1 1 90 90 ILE H H 90 7.728 7.728 7.567 0.161 17811 7521 1 8 . 1 1 91 91 VAL N N 91 127.979 127.979 120.662 7.317 17811 7522 1 8 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.363 0.091 17811 7523 1 8 . 1 1 91 91 VAL C C 91 174.119 174.119 173.752 0.367 17811 7524 1 8 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.818 0.672 17811 7525 1 8 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.415 0.182 17811 7526 1 8 . 1 1 91 91 VAL H H 91 9.358 9.358 7.942 1.416 17811 7527 1 8 . 1 1 92 92 VAL N N 92 127.153 127.153 129.204 -2.051 17811 7528 1 8 . 1 1 92 92 VAL HA H 92 4.155 4.155 4.836 -0.681 17811 7529 1 8 . 1 1 92 92 VAL C C 92 174.326 174.326 175.239 -0.913 17811 7530 1 8 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.169 0.938 17811 7531 1 8 . 1 1 92 92 VAL CB C 92 33.570 33.570 34.439 -0.869 17811 7532 1 8 . 1 1 92 92 VAL H H 92 9.268 9.268 8.309 0.959 17811 7533 1 8 . 1 1 93 93 ILE N N 93 128.894 128.894 127.544 1.350 17811 7534 1 8 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.179 0.821 17811 7535 1 8 . 1 1 93 93 ILE C C 93 174.945 174.945 175.031 -0.086 17811 7536 1 8 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.491 0.479 17811 7537 1 8 . 1 1 93 93 ILE CB C 93 39.461 39.461 36.304 3.157 17811 7538 1 8 . 1 1 93 93 ILE H H 93 9.198 9.198 8.843 0.355 17811 7539 1 8 . 1 1 94 94 HIS N N 94 121.624 121.624 127.151 -5.527 17811 7540 1 8 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.853 0.571 17811 7541 1 8 . 1 1 94 94 HIS C C 94 171.510 171.510 173.074 -1.564 17811 7542 1 8 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.526 -0.338 17811 7543 1 8 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.486 -1.738 17811 7544 1 8 . 1 1 94 94 HIS H H 94 8.762 8.762 9.187 -0.425 17811 7545 1 8 . 1 1 95 95 ASP N N 95 115.353 115.353 121.512 -6.159 17811 7546 1 8 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.694 0.410 17811 7547 1 8 . 1 1 95 95 ASP C C 95 177.555 177.555 174.567 2.988 17811 7548 1 8 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.463 -0.645 17811 7549 1 8 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.954 0.110 17811 7550 1 8 . 1 1 95 95 ASP H H 95 10.045 10.045 7.943 2.102 17811 7551 1 8 . 1 1 96 96 GLU N N 96 125.562 125.562 120.573 4.989 17811 7552 1 8 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.806 0.428 17811 7553 1 8 . 1 1 96 96 GLU C C 96 175.245 175.245 176.612 -1.367 17811 7554 1 8 . 1 1 96 96 GLU CA C 96 54.599 54.599 55.024 -0.425 17811 7555 1 8 . 1 1 96 96 GLU CB C 96 34.255 34.255 31.440 2.815 17811 7556 1 8 . 1 1 96 96 GLU H H 96 9.100 9.100 8.562 0.538 17811 7557 1 8 . 1 1 97 97 LEU N N 97 130.882 130.882 124.287 6.595 17811 7558 1 8 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.606 -0.098 17811 7559 1 8 . 1 1 97 97 LEU C C 97 177.911 177.911 176.681 1.230 17811 7560 1 8 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.111 0.817 17811 7561 1 8 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.569 2.070 17811 7562 1 8 . 1 1 97 97 LEU H H 97 8.774 8.774 8.673 0.101 17811 7563 1 8 . 1 1 98 98 ASP N N 98 114.282 114.282 119.401 -5.119 17811 7564 1 8 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.489 -0.024 17811 7565 1 8 . 1 1 98 98 ASP C C 98 175.339 175.339 175.723 -0.384 17811 7566 1 8 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.507 -0.538 17811 7567 1 8 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.294 -0.669 17811 7568 1 8 . 1 1 98 98 ASP H H 98 8.729 8.729 8.659 0.070 17811 7569 1 8 . 1 1 99 99 ILE N N 99 116.163 116.163 118.681 -2.518 17811 7570 1 8 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.160 -0.274 17811 7571 1 8 . 1 1 99 99 ILE C C 99 174.044 174.044 174.966 -0.922 17811 7572 1 8 . 1 1 99 99 ILE CA C 99 59.394 59.394 59.831 -0.437 17811 7573 1 8 . 1 1 99 99 ILE CB C 99 40.968 40.968 38.841 2.127 17811 7574 1 8 . 1 1 99 99 ILE H H 99 7.149 7.149 7.813 -0.664 17811 7575 1 8 . 1 1 100 100 ASP N N 100 122.370 122.370 121.931 0.439 17811 7576 1 8 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.143 0.158 17811 7577 1 8 . 1 1 100 100 ASP C C 100 175.321 175.321 175.409 -0.088 17811 7578 1 8 . 1 1 100 100 ASP CA C 100 55.216 55.216 53.801 1.415 17811 7579 1 8 . 1 1 100 100 ASP CB C 100 41.584 41.584 41.732 -0.148 17811 7580 1 8 . 1 1 100 100 ASP H H 100 8.109 8.109 8.214 -0.105 17811 7581 1 8 . 1 1 101 101 PHE N N 101 119.674 119.674 114.554 5.120 17811 7582 1 8 . 1 1 101 101 PHE HA H 101 4.033 4.033 5.011 -0.978 17811 7583 1 8 . 1 1 101 101 PHE C C 101 176.654 176.654 176.609 0.045 17811 7584 1 8 . 1 1 101 101 PHE CA C 101 59.463 59.463 57.490 1.973 17811 7585 1 8 . 1 1 101 101 PHE CB C 101 39.324 39.324 38.804 0.520 17811 7586 1 8 . 1 1 101 101 PHE H H 101 8.598 8.598 7.192 1.406 17811 7587 1 8 . 1 1 102 102 GLY N N 102 116.800 116.800 112.676 4.124 17811 7588 1 8 . 1 1 102 102 GLY C C 102 172.749 172.749 173.690 -0.941 17811 7589 1 8 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.193 0.022 17811 7590 1 8 . 1 1 102 102 GLY H H 102 8.550 8.550 8.780 -0.230 17811 7591 1 8 . 1 1 103 103 ARG N N 103 118.304 118.304 122.394 -4.090 17811 7592 1 8 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.787 -0.249 17811 7593 1 8 . 1 1 103 103 ARG C C 103 175.114 175.114 175.493 -0.379 17811 7594 1 8 . 1 1 103 103 ARG CA C 103 54.736 54.736 54.899 -0.163 17811 7595 1 8 . 1 1 103 103 ARG CB C 103 31.310 31.310 31.097 0.213 17811 7596 1 8 . 1 1 103 103 ARG H H 103 7.730 7.730 8.278 -0.548 17811 7597 1 8 . 1 1 104 104 ILE N N 104 122.440 122.440 118.198 4.242 17811 7598 1 8 . 1 1 104 104 ILE HA H 104 4.971 4.971 5.117 -0.146 17811 7599 1 8 . 1 1 104 104 ILE C C 104 175.884 175.884 174.814 1.070 17811 7600 1 8 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.320 0.485 17811 7601 1 8 . 1 1 104 104 ILE CB C 104 40.968 40.968 41.640 -0.672 17811 7602 1 8 . 1 1 104 104 ILE H H 104 8.687 8.687 8.445 0.242 17811 7603 1 8 . 1 1 105 105 ARG N N 105 124.391 124.391 121.517 2.874 17811 7604 1 8 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.771 0.131 17811 7605 1 8 . 1 1 105 105 ARG C C 105 174.157 174.157 174.017 0.140 17811 7606 1 8 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.696 -2.782 17811 7607 1 8 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.187 1.410 17811 7608 1 8 . 1 1 105 105 ARG H H 105 9.025 9.025 9.003 0.022 17811 7609 1 8 . 1 1 106 106 LEU N N 106 123.612 123.612 120.037 3.575 17811 7610 1 8 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.983 0.548 17811 7611 1 8 . 1 1 106 106 LEU C C 106 178.303 178.303 175.978 2.325 17811 7612 1 8 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.130 -0.970 17811 7613 1 8 . 1 1 106 106 LEU CB C 106 45.420 45.420 44.069 1.351 17811 7614 1 8 . 1 1 106 106 LEU H H 106 11.263 11.263 8.337 2.926 17811 7615 1 8 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.587 -0.511 17811 7616 1 8 . 1 1 107 107 LYS C C 107 175.241 175.241 174.708 0.533 17811 7617 1 8 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.187 1.232 17811 7618 1 8 . 1 1 107 107 LYS CB C 107 38.913 38.913 35.336 3.577 17811 7619 1 8 . 1 1 108 108 LEU N N 108 125.733 125.733 124.877 0.856 17811 7620 1 8 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.464 0.199 17811 7621 1 8 . 1 1 108 108 LEU C C 108 176.152 176.152 175.661 0.491 17811 7622 1 8 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.798 -0.473 17811 7623 1 8 . 1 1 108 108 LEU CB C 108 42.374 42.374 40.943 1.431 17811 7624 1 8 . 1 1 108 108 LEU H H 108 8.488 8.488 8.656 -0.168 17811 7625 1 8 . 1 1 109 109 GLY N N 109 113.088 113.088 111.336 1.752 17811 7626 1 8 . 1 1 109 109 GLY C C 109 171.829 171.829 172.751 -0.922 17811 7627 1 8 . 1 1 109 109 GLY CA C 109 44.461 44.461 44.954 -0.493 17811 7628 1 8 . 1 1 109 109 GLY H H 109 7.427 7.427 7.702 -0.275 17811 7629 1 8 . 1 1 110 110 GLY N N 110 102.747 102.747 107.156 -4.409 17811 7630 1 8 . 1 1 110 110 GLY C C 110 174.538 174.538 173.969 0.569 17811 7631 1 8 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.081 -0.031 17811 7632 1 8 . 1 1 110 110 GLY H H 110 7.685 7.685 8.130 -0.445 17811 7633 1 8 . 1 1 111 111 GLY N N 111 117.376 117.376 108.091 9.285 17811 7634 1 8 . 1 1 111 111 GLY C C 111 172.020 172.020 173.424 -1.404 17811 7635 1 8 . 1 1 111 111 GLY CA C 111 43.845 43.845 44.199 -0.354 17811 7636 1 8 . 1 1 111 111 GLY H H 111 8.252 8.252 8.189 0.063 17811 7637 1 8 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.135 0.059 17811 7638 1 8 . 1 1 112 112 GLU C C 112 177.997 177.997 177.421 0.576 17811 7639 1 8 . 1 1 112 112 GLU CA C 112 57.202 57.202 58.071 -0.869 17811 7640 1 8 . 1 1 112 112 GLU CB C 112 29.489 29.489 29.871 -0.382 17811 7641 1 8 . 1 1 113 113 GLY N N 113 110.029 110.029 113.644 -3.615 17811 7642 1 8 . 1 1 113 113 GLY C C 113 175.583 175.583 175.180 0.403 17811 7643 1 8 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.208 1.788 17811 7644 1 8 . 1 1 113 113 GLY H H 113 8.638 8.638 8.832 -0.194 17811 7645 1 8 . 1 1 114 114 GLY N N 114 107.830 107.830 113.687 -5.857 17811 7646 1 8 . 1 1 114 114 GLY C C 114 173.838 173.838 175.363 -1.525 17811 7647 1 8 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.335 1.017 17811 7648 1 8 . 1 1 114 114 GLY H H 114 8.579 8.579 8.054 0.525 17811 7649 1 8 . 1 1 115 115 HIS N N 115 122.890 122.890 120.780 2.110 17811 7650 1 8 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.326 0.377 17811 7651 1 8 . 1 1 115 115 HIS C C 115 176.520 176.520 176.861 -0.341 17811 7652 1 8 . 1 1 115 115 HIS CA C 115 57.956 57.956 59.131 -1.175 17811 7653 1 8 . 1 1 115 115 HIS CB C 115 32.405 32.405 29.217 3.188 17811 7654 1 8 . 1 1 115 115 HIS H H 115 7.830 7.830 8.219 -0.389 17811 7655 1 8 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.611 -0.315 17811 7656 1 8 . 1 1 116 116 ASN C C 116 178.246 178.246 176.577 1.669 17811 7657 1 8 . 1 1 116 116 ASN CA C 116 56.380 56.380 56.177 0.203 17811 7658 1 8 . 1 1 116 116 ASN CB C 116 36.721 36.721 38.166 -1.445 17811 7659 1 8 . 1 1 117 117 GLY N N 117 113.570 113.570 104.721 8.849 17811 7660 1 8 . 1 1 117 117 GLY C C 117 175.114 175.114 174.016 1.098 17811 7661 1 8 . 1 1 117 117 GLY CA C 117 47.407 47.407 44.629 2.778 17811 7662 1 8 . 1 1 117 117 GLY H H 117 9.245 9.245 7.804 1.441 17811 7663 1 8 . 1 1 118 118 LEU N N 118 123.746 123.746 120.697 3.049 17811 7664 1 8 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.208 -0.372 17811 7665 1 8 . 1 1 118 118 LEU C C 118 179.150 179.150 178.416 0.734 17811 7666 1 8 . 1 1 118 118 LEU CA C 118 58.093 58.093 57.388 0.705 17811 7667 1 8 . 1 1 118 118 LEU CB C 118 42.338 42.338 42.332 0.006 17811 7668 1 8 . 1 1 118 118 LEU H H 118 8.133 8.133 7.529 0.604 17811 7669 1 8 . 1 1 119 119 ARG N N 119 117.495 117.495 118.189 -0.694 17811 7670 1 8 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.166 -0.105 17811 7671 1 8 . 1 1 119 119 ARG C C 119 178.400 178.400 179.133 -0.733 17811 7672 1 8 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.711 1.026 17811 7673 1 8 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.738 0.751 17811 7674 1 8 . 1 1 119 119 ARG H H 119 8.234 8.234 8.225 0.009 17811 7675 1 8 . 1 1 120 120 SER N N 120 112.769 112.769 115.798 -3.029 17811 7676 1 8 . 1 1 120 120 SER HA H 120 4.218 4.218 4.185 0.033 17811 7677 1 8 . 1 1 120 120 SER C C 120 178.568 178.568 176.007 2.561 17811 7678 1 8 . 1 1 120 120 SER CA C 120 60.901 60.901 61.414 -0.513 17811 7679 1 8 . 1 1 120 120 SER CB C 120 63.367 63.367 62.666 0.701 17811 7680 1 8 . 1 1 120 120 SER H H 120 7.283 7.283 8.486 -1.203 17811 7681 1 8 . 1 1 121 121 VAL N N 121 120.291 120.291 122.801 -2.510 17811 7682 1 8 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.938 -0.679 17811 7683 1 8 . 1 1 121 121 VAL C C 121 176.485 176.485 177.225 -0.740 17811 7684 1 8 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.178 2.916 17811 7685 1 8 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.705 -0.121 17811 7686 1 8 . 1 1 121 121 VAL H H 121 8.263 8.263 7.550 0.713 17811 7687 1 8 . 1 1 122 122 ALA N N 122 120.702 120.702 123.457 -2.755 17811 7688 1 8 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.258 0.227 17811 7689 1 8 . 1 1 122 122 ALA C C 122 181.178 181.178 179.727 1.451 17811 7690 1 8 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.273 0.011 17811 7691 1 8 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.462 0.107 17811 7692 1 8 . 1 1 122 122 ALA H H 122 8.708 8.708 8.484 0.224 17811 7693 1 8 . 1 1 123 123 SER N N 123 113.198 113.198 114.107 -0.909 17811 7694 1 8 . 1 1 123 123 SER HA H 123 4.049 4.049 4.223 -0.174 17811 7695 1 8 . 1 1 123 123 SER C C 123 176.672 176.672 176.574 0.098 17811 7696 1 8 . 1 1 123 123 SER CA C 123 61.312 61.312 61.470 -0.158 17811 7697 1 8 . 1 1 123 123 SER CB C 123 62.888 62.888 62.916 -0.028 17811 7698 1 8 . 1 1 123 123 SER H H 123 8.137 8.137 8.302 -0.165 17811 7699 1 8 . 1 1 124 124 ALA N N 124 122.798 122.798 124.604 -1.806 17811 7700 1 8 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.238 -0.102 17811 7701 1 8 . 1 1 124 124 ALA C C 124 180.052 180.052 178.854 1.198 17811 7702 1 8 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.264 0.404 17811 7703 1 8 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.461 1.409 17811 7704 1 8 . 1 1 124 124 ALA H H 124 7.692 7.692 7.584 0.108 17811 7705 1 8 . 1 1 125 125 LEU N N 125 114.359 114.359 117.546 -3.187 17811 7706 1 8 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.039 0.152 17811 7707 1 8 . 1 1 125 125 LEU C C 125 178.024 178.024 178.420 -0.396 17811 7708 1 8 . 1 1 125 125 LEU CA C 125 55.490 55.490 56.029 -0.539 17811 7709 1 8 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.553 0.401 17811 7710 1 8 . 1 1 125 125 LEU H H 125 8.219 8.219 7.753 0.466 17811 7711 1 8 . 1 1 126 126 GLY N N 126 106.746 106.746 104.888 1.858 17811 7712 1 8 . 1 1 126 126 GLY C C 126 173.124 173.124 174.214 -1.090 17811 7713 1 8 . 1 1 126 126 GLY CA C 126 45.557 45.557 44.969 0.587 17811 7714 1 8 . 1 1 126 126 GLY H H 126 7.910 7.910 8.465 -0.555 17811 7715 1 8 . 1 1 127 127 THR N N 127 112.372 112.372 112.568 -0.196 17811 7716 1 8 . 1 1 127 127 THR HA H 127 4.586 4.586 4.615 -0.029 17811 7717 1 8 . 1 1 127 127 THR C C 127 170.252 170.252 173.224 -2.972 17811 7718 1 8 . 1 1 127 127 THR CA C 127 59.463 59.463 61.262 -1.799 17811 7719 1 8 . 1 1 127 127 THR CB C 127 67.751 67.751 70.266 -2.515 17811 7720 1 8 . 1 1 127 127 THR H H 127 7.611 7.611 7.547 0.064 17811 7721 1 8 . 1 1 128 128 LYS N N 128 120.933 120.933 121.939 -1.006 17811 7722 1 8 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.558 -0.244 17811 7723 1 8 . 1 1 128 128 LYS C C 128 178.400 178.400 176.572 1.828 17811 7724 1 8 . 1 1 128 128 LYS CA C 128 56.038 56.038 56.477 -0.440 17811 7725 1 8 . 1 1 128 128 LYS CB C 128 32.748 32.748 33.499 -0.751 17811 7726 1 8 . 1 1 128 128 LYS H H 128 8.075 8.075 8.416 -0.341 17811 7727 1 8 . 1 1 129 129 ASN N N 129 124.675 124.675 115.480 9.195 17811 7728 1 8 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.350 -0.046 17811 7729 1 8 . 1 1 129 129 ASN C C 129 171.284 171.284 174.035 -2.751 17811 7730 1 8 . 1 1 129 129 ASN CA C 129 54.120 54.120 54.933 -0.813 17811 7731 1 8 . 1 1 129 129 ASN CB C 129 37.063 37.063 38.440 -1.377 17811 7732 1 8 . 1 1 129 129 ASN H H 129 8.736 8.736 8.400 0.336 17811 7733 1 8 . 1 1 131 131 HIS HA H 131 5.091 5.091 3.864 1.227 17811 7734 1 8 . 1 1 131 131 HIS C C 131 175.397 175.397 172.715 2.682 17811 7735 1 8 . 1 1 131 131 HIS CA C 131 60.148 60.148 56.921 3.227 17811 7736 1 8 . 1 1 131 131 HIS CB C 131 30.967 30.967 27.634 3.333 17811 7737 1 8 . 1 1 132 132 ARG N N 132 119.440 119.440 117.914 1.526 17811 7738 1 8 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.607 1.342 17811 7739 1 8 . 1 1 132 132 ARG C C 132 174.945 174.945 174.345 0.600 17811 7740 1 8 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.334 0.224 17811 7741 1 8 . 1 1 132 132 ARG CB C 132 32.679 32.679 32.351 0.328 17811 7742 1 8 . 1 1 132 132 ARG H H 132 9.525 9.525 7.456 2.069 17811 7743 1 8 . 1 1 133 133 VAL N N 133 124.107 124.107 125.224 -1.117 17811 7744 1 8 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.332 -0.225 17811 7745 1 8 . 1 1 133 133 VAL C C 133 172.805 172.805 174.204 -1.399 17811 7746 1 8 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.307 1.170 17811 7747 1 8 . 1 1 133 133 VAL CB C 133 32.405 32.405 33.555 -1.150 17811 7748 1 8 . 1 1 133 133 VAL H H 133 8.669 8.669 8.610 0.059 17811 7749 1 8 . 1 1 134 134 ARG N N 134 123.782 123.782 127.980 -4.198 17811 7750 1 8 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.941 -1.317 17811 7751 1 8 . 1 1 134 134 ARG C C 134 174.964 174.964 175.293 -0.329 17811 7752 1 8 . 1 1 134 134 ARG CA C 134 53.914 53.914 55.299 -1.385 17811 7753 1 8 . 1 1 134 134 ARG CB C 134 32.063 32.063 31.571 0.492 17811 7754 1 8 . 1 1 134 134 ARG H H 134 8.822 8.822 9.005 -0.183 17811 7755 1 8 . 1 1 135 135 ILE N N 135 122.618 122.618 125.844 -3.226 17811 7756 1 8 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.280 0.020 17811 7757 1 8 . 1 1 135 135 ILE C C 135 175.809 175.809 175.615 0.194 17811 7758 1 8 . 1 1 135 135 ILE CA C 135 60.627 60.627 59.887 0.740 17811 7759 1 8 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.600 -0.167 17811 7760 1 8 . 1 1 135 135 ILE H H 135 8.532 8.532 8.934 -0.402 17811 7761 1 8 . 1 1 136 136 GLY N N 136 116.268 116.268 117.195 -0.927 17811 7762 1 8 . 1 1 136 136 GLY C C 136 175.302 175.302 175.033 0.269 17811 7763 1 8 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.824 2.610 17811 7764 1 8 . 1 1 136 136 GLY H H 136 9.240 9.240 8.709 0.531 17811 7765 1 8 . 1 1 137 137 VAL N N 137 111.669 111.669 121.987 -10.318 17811 7766 1 8 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.420 0.775 17811 7767 1 8 . 1 1 137 137 VAL C C 137 176.691 176.691 175.686 1.005 17811 7768 1 8 . 1 1 137 137 VAL CA C 137 60.216 60.216 61.011 -0.796 17811 7769 1 8 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.645 1.199 17811 7770 1 8 . 1 1 137 137 VAL H H 137 8.370 8.370 8.224 0.146 17811 7771 1 8 . 1 1 138 138 GLY N N 138 111.577 111.577 108.798 2.779 17811 7772 1 8 . 1 1 138 138 GLY C C 138 169.895 169.895 172.829 -2.934 17811 7773 1 8 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.414 1.075 17811 7774 1 8 . 1 1 138 138 GLY H H 138 8.524 8.524 7.736 0.788 17811 7775 1 8 . 1 1 139 139 ARG N N 139 112.983 112.983 121.292 -8.309 17811 7776 1 8 . 1 1 139 139 ARG HA H 139 4.385 4.385 5.238 -0.853 17811 7777 1 8 . 1 1 139 139 ARG C C 139 175.133 175.133 174.685 0.448 17811 7778 1 8 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.364 -0.203 17811 7779 1 8 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.069 -0.403 17811 7780 1 8 . 1 1 139 139 ARG H H 139 7.603 7.603 8.348 -0.745 17811 7781 1 8 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.431 0.202 17811 7782 1 8 . 1 1 141 141 PRO C C 141 176.503 176.503 175.829 0.674 17811 7783 1 8 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.438 0.518 17811 7784 1 8 . 1 1 141 141 PRO CB C 141 32.953 32.953 30.339 2.614 17811 7785 1 8 . 1 1 142 142 GLY N N 142 107.144 107.144 108.171 -1.027 17811 7786 1 8 . 1 1 142 142 GLY C C 142 175.076 175.076 173.707 1.369 17811 7787 1 8 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.100 -0.570 17811 7788 1 8 . 1 1 142 142 GLY H H 142 8.228 8.228 7.345 0.883 17811 7789 1 8 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.590 -0.325 17811 7790 1 8 . 1 1 143 143 ARG C C 143 175.848 175.848 175.585 0.263 17811 7791 1 8 . 1 1 143 143 ARG CA C 143 55.421 55.421 54.656 0.765 17811 7792 1 8 . 1 1 143 143 ARG CB C 143 29.118 29.118 28.259 0.859 17811 7793 1 8 . 1 1 144 144 LYS N N 144 121.850 121.850 120.461 1.389 17811 7794 1 8 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.593 -0.534 17811 7795 1 8 . 1 1 144 144 LYS C C 144 175.152 175.152 175.235 -0.083 17811 7796 1 8 . 1 1 144 144 LYS CA C 144 56.312 56.312 54.537 1.775 17811 7797 1 8 . 1 1 144 144 LYS CB C 144 32.611 32.611 34.794 -2.183 17811 7798 1 8 . 1 1 144 144 LYS H H 144 7.542 7.542 8.017 -0.475 17811 7799 1 8 . 1 1 145 145 ASP N N 145 126.413 126.413 122.082 4.331 17811 7800 1 8 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.807 -0.104 17811 7801 1 8 . 1 1 145 145 ASP C C 145 176.208 176.208 176.263 -0.055 17811 7802 1 8 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.696 -0.357 17811 7803 1 8 . 1 1 145 145 ASP CB C 145 42.406 42.406 42.187 0.219 17811 7804 1 8 . 1 1 145 145 ASP H H 145 8.507 8.507 8.573 -0.066 17811 7805 1 8 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.553 0.120 17811 7806 1 8 . 1 1 146 146 PRO C C 146 177.555 177.555 177.418 0.137 17811 7807 1 8 . 1 1 146 146 PRO CA C 146 65.628 65.628 64.844 0.784 17811 7808 1 8 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.667 0.875 17811 7809 1 8 . 1 1 147 147 ALA N N 147 119.068 119.068 119.856 -0.788 17811 7810 1 8 . 1 1 147 147 ALA HA H 147 3.996 3.996 4.004 -0.008 17811 7811 1 8 . 1 1 147 147 ALA C C 147 179.236 179.236 178.510 0.726 17811 7812 1 8 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.636 -0.037 17811 7813 1 8 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.102 0.261 17811 7814 1 8 . 1 1 147 147 ALA H H 147 8.161 8.161 8.403 -0.242 17811 7815 1 8 . 1 1 148 148 ALA N N 148 118.488 118.488 118.765 -0.277 17811 7816 1 8 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.217 -0.050 17811 7817 1 8 . 1 1 148 148 ALA C C 148 180.397 180.397 179.496 0.901 17811 7818 1 8 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.641 0.547 17811 7819 1 8 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.238 -0.464 17811 7820 1 8 . 1 1 148 148 ALA H H 148 7.210 7.210 7.622 -0.412 17811 7821 1 8 . 1 1 149 149 PHE N N 149 118.247 118.247 116.798 1.449 17811 7822 1 8 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.620 -0.482 17811 7823 1 8 . 1 1 149 149 PHE C C 149 178.080 178.080 177.084 0.996 17811 7824 1 8 . 1 1 149 149 PHE CA C 149 60.353 60.353 59.909 0.444 17811 7825 1 8 . 1 1 149 149 PHE CB C 149 40.831 40.831 38.777 2.054 17811 7826 1 8 . 1 1 149 149 PHE H H 149 8.099 8.099 7.283 0.816 17811 7827 1 8 . 1 1 150 150 VAL N N 150 107.786 107.786 117.930 -10.144 17811 7828 1 8 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.685 0.152 17811 7829 1 8 . 1 1 150 150 VAL C C 150 174.757 174.757 176.617 -1.860 17811 7830 1 8 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.316 -0.469 17811 7831 1 8 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.567 -0.805 17811 7832 1 8 . 1 1 150 150 VAL H H 150 7.587 7.587 8.027 -0.440 17811 7833 1 8 . 1 1 151 151 LEU N N 151 118.783 118.783 113.679 5.104 17811 7834 1 8 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.433 0.042 17811 7835 1 8 . 1 1 151 151 LEU C C 151 174.926 174.926 175.848 -0.922 17811 7836 1 8 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.392 -1.683 17811 7837 1 8 . 1 1 151 151 LEU CB C 151 41.036 41.036 43.068 -2.032 17811 7838 1 8 . 1 1 151 151 LEU H H 151 6.914 6.914 7.245 -0.331 17811 7839 1 8 . 1 1 152 152 GLU N N 152 118.356 118.356 116.425 1.931 17811 7840 1 8 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.642 -0.317 17811 7841 1 8 . 1 1 152 152 GLU C C 152 175.752 175.752 174.548 1.204 17811 7842 1 8 . 1 1 152 152 GLU CA C 152 54.599 54.599 56.370 -1.772 17811 7843 1 8 . 1 1 152 152 GLU CB C 152 31.995 31.995 30.962 1.032 17811 7844 1 8 . 1 1 152 152 GLU H H 152 6.823 6.823 7.393 -0.570 17811 7845 1 8 . 1 1 153 153 ASN N N 153 116.805 116.805 121.568 -4.763 17811 7846 1 8 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.844 -0.241 17811 7847 1 8 . 1 1 153 153 ASN C C 153 175.734 175.734 173.951 1.783 17811 7848 1 8 . 1 1 153 153 ASN CA C 153 52.750 52.750 53.222 -0.472 17811 7849 1 8 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.469 -1.625 17811 7850 1 8 . 1 1 153 153 ASN H H 153 8.064 8.064 8.944 -0.880 17811 7851 1 8 . 1 1 154 154 PHE N N 154 116.744 116.744 117.807 -1.063 17811 7852 1 8 . 1 1 154 154 PHE HA H 154 4.325 4.325 4.872 -0.547 17811 7853 1 8 . 1 1 154 154 PHE C C 154 177.142 177.142 175.462 1.680 17811 7854 1 8 . 1 1 154 154 PHE CA C 154 60.148 60.148 57.100 3.048 17811 7855 1 8 . 1 1 154 154 PHE CB C 154 38.776 38.776 38.396 0.380 17811 7856 1 8 . 1 1 154 154 PHE H H 154 7.410 7.410 8.083 -0.673 17811 7857 1 8 . 1 1 155 155 THR N N 155 113.714 113.714 120.858 -7.144 17811 7858 1 8 . 1 1 155 155 THR HA H 155 4.691 4.691 4.447 0.244 17811 7859 1 8 . 1 1 155 155 THR C C 155 174.870 174.870 174.383 0.487 17811 7860 1 8 . 1 1 155 155 THR CA C 155 61.648 61.648 59.981 1.667 17811 7861 1 8 . 1 1 155 155 THR CB C 155 70.697 70.697 70.171 0.526 17811 7862 1 8 . 1 1 155 155 THR H H 155 9.356 9.356 8.928 0.428 17811 7863 1 8 . 1 1 156 156 ALA N N 156 122.937 122.937 122.885 0.052 17811 7864 1 8 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.318 0.021 17811 7865 1 8 . 1 1 156 156 ALA C C 156 180.132 180.132 179.631 0.501 17811 7866 1 8 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.171 1.935 17811 7867 1 8 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.484 -0.532 17811 7868 1 8 . 1 1 156 156 ALA H H 156 8.931 8.931 8.358 0.573 17811 7869 1 8 . 1 1 157 157 ALA N N 157 118.892 118.892 121.664 -2.772 17811 7870 1 8 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.076 0.091 17811 7871 1 8 . 1 1 157 157 ALA C C 157 181.009 181.009 178.684 2.325 17811 7872 1 8 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.126 0.542 17811 7873 1 8 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.067 0.433 17811 7874 1 8 . 1 1 157 157 ALA H H 157 8.248 8.248 8.466 -0.218 17811 7875 1 8 . 1 1 158 158 GLU N N 158 118.304 118.304 117.023 1.281 17811 7876 1 8 . 1 1 158 158 GLU HA H 158 3.778 3.778 2.839 0.939 17811 7877 1 8 . 1 1 158 158 GLU C C 158 179.920 179.920 178.571 1.349 17811 7878 1 8 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.154 0.145 17811 7879 1 8 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.464 2.298 17811 7880 1 8 . 1 1 158 158 GLU H H 158 7.486 7.486 8.397 -0.911 17811 7881 1 8 . 1 1 159 159 ARG N N 159 118.363 118.363 118.682 -0.319 17811 7882 1 8 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.128 -0.425 17811 7883 1 8 . 1 1 159 159 ARG C C 159 177.793 177.793 178.409 -0.616 17811 7884 1 8 . 1 1 159 159 ARG CA C 159 59.763 59.763 57.502 2.261 17811 7885 1 8 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.483 0.936 17811 7886 1 8 . 1 1 159 159 ARG H H 159 9.117 9.117 7.779 1.338 17811 7887 1 8 . 1 1 160 160 ALA N N 160 118.334 118.334 122.272 -3.938 17811 7888 1 8 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.195 -0.013 17811 7889 1 8 . 1 1 160 160 ALA C C 160 178.512 178.512 178.464 0.048 17811 7890 1 8 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.684 -0.360 17811 7891 1 8 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.535 0.239 17811 7892 1 8 . 1 1 160 160 ALA H H 160 7.227 7.227 7.437 -0.210 17811 7893 1 8 . 1 1 161 161 GLU N N 161 114.910 114.910 115.885 -0.975 17811 7894 1 8 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.564 -0.021 17811 7895 1 8 . 1 1 161 161 GLU C C 161 177.085 177.085 177.329 -0.244 17811 7896 1 8 . 1 1 161 161 GLU CA C 161 56.243 56.243 55.667 0.576 17811 7897 1 8 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.652 2.274 17811 7898 1 8 . 1 1 161 161 GLU H H 161 7.705 7.705 7.692 0.013 17811 7899 1 8 . 1 1 162 162 VAL N N 162 120.126 120.126 121.298 -1.172 17811 7900 1 8 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.820 0.333 17811 7901 1 8 . 1 1 162 162 VAL C C 162 173.208 173.208 175.451 -2.243 17811 7902 1 8 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.594 0.185 17811 7903 1 8 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.386 0.828 17811 7904 1 8 . 1 1 162 162 VAL H H 162 7.509 7.509 7.219 0.290 17811 7905 1 8 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.352 -0.194 17811 7906 1 8 . 1 1 163 163 PRO C C 163 179.146 179.146 178.633 0.513 17811 7907 1 8 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.014 0.710 17811 7908 1 8 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.147 -0.385 17811 7909 1 8 . 1 1 164 164 THR N N 164 113.503 113.503 116.567 -3.064 17811 7910 1 8 . 1 1 164 164 THR HA H 164 4.295 4.295 4.016 0.279 17811 7911 1 8 . 1 1 164 164 THR C C 164 175.696 175.696 176.713 -1.017 17811 7912 1 8 . 1 1 164 164 THR CA C 164 66.244 66.244 67.340 -1.096 17811 7913 1 8 . 1 1 164 164 THR CB C 164 68.710 68.710 68.469 0.241 17811 7914 1 8 . 1 1 164 164 THR H H 164 7.260 7.260 7.794 -0.534 17811 7915 1 8 . 1 1 165 165 ILE N N 165 124.266 124.266 121.429 2.837 17811 7916 1 8 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.675 0.050 17811 7917 1 8 . 1 1 165 165 ILE C C 165 177.949 177.949 177.923 0.026 17811 7918 1 8 . 1 1 165 165 ILE CA C 165 65.148 65.148 65.333 -0.185 17811 7919 1 8 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.355 1.078 17811 7920 1 8 . 1 1 165 165 ILE H H 165 7.781 7.781 7.902 -0.121 17811 7921 1 8 . 1 1 166 166 VAL N N 166 117.723 117.723 119.285 -1.562 17811 7922 1 8 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.579 -0.068 17811 7923 1 8 . 1 1 166 166 VAL C C 166 178.062 178.062 178.184 -0.122 17811 7924 1 8 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.199 -0.407 17811 7925 1 8 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.191 0.187 17811 7926 1 8 . 1 1 166 166 VAL H H 166 8.605 8.605 7.601 1.004 17811 7927 1 8 . 1 1 167 167 GLU N N 167 119.572 119.572 117.470 2.102 17811 7928 1 8 . 1 1 167 167 GLU HA H 167 3.843 3.843 4.168 -0.325 17811 7929 1 8 . 1 1 167 167 GLU C C 167 179.000 179.000 179.280 -0.280 17811 7930 1 8 . 1 1 167 167 GLU CA C 167 59.805 59.805 58.718 1.087 17811 7931 1 8 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.104 0.082 17811 7932 1 8 . 1 1 167 167 GLU H H 167 7.408 7.408 7.719 -0.311 17811 7933 1 8 . 1 1 168 168 GLN N N 168 118.334 118.334 119.175 -0.841 17811 7934 1 8 . 1 1 168 168 GLN HA H 168 3.967 3.967 4.148 -0.181 17811 7935 1 8 . 1 1 168 168 GLN C C 168 179.038 179.038 178.466 0.572 17811 7936 1 8 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.297 1.166 17811 7937 1 8 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.477 0.435 17811 7938 1 8 . 1 1 168 168 GLN H H 168 8.298 8.298 8.194 0.104 17811 7939 1 8 . 1 1 169 169 ALA N N 169 123.008 123.008 121.561 1.447 17811 7940 1 8 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.060 0.002 17811 7941 1 8 . 1 1 169 169 ALA C C 169 180.408 180.408 179.616 0.792 17811 7942 1 8 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.935 0.281 17811 7943 1 8 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.121 1.064 17811 7944 1 8 . 1 1 169 169 ALA H H 169 9.106 9.106 8.537 0.569 17811 7945 1 8 . 1 1 170 170 ALA N N 170 125.275 125.275 121.354 3.921 17811 7946 1 8 . 1 1 170 170 ALA HA H 170 3.930 3.930 3.985 -0.055 17811 7947 1 8 . 1 1 170 170 ALA C C 170 178.831 178.831 179.129 -0.298 17811 7948 1 8 . 1 1 170 170 ALA CA C 170 55.969 55.969 55.182 0.787 17811 7949 1 8 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.278 -1.148 17811 7950 1 8 . 1 1 170 170 ALA H H 170 8.364 8.364 7.836 0.528 17811 7951 1 8 . 1 1 171 171 ASP N N 171 120.702 120.702 118.492 2.210 17811 7952 1 8 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.409 -0.156 17811 7953 1 8 . 1 1 171 171 ASP C C 171 179.507 179.507 178.202 1.305 17811 7954 1 8 . 1 1 171 171 ASP CA C 171 57.887 57.887 57.118 0.769 17811 7955 1 8 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.837 -1.101 17811 7956 1 8 . 1 1 171 171 ASP H H 171 8.656 8.656 7.869 0.787 17811 7957 1 8 . 1 1 172 172 ALA N N 172 122.759 122.759 121.633 1.126 17811 7958 1 8 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.174 -0.234 17811 7959 1 8 . 1 1 172 172 ALA C C 172 178.137 178.137 179.513 -1.376 17811 7960 1 8 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.245 -0.235 17811 7961 1 8 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.829 1.041 17811 7962 1 8 . 1 1 172 172 ALA H H 172 9.380 9.380 7.699 1.681 17811 7963 1 8 . 1 1 173 173 THR N N 173 115.154 115.154 112.295 2.859 17811 7964 1 8 . 1 1 173 173 THR HA H 173 4.430 4.430 3.895 0.535 17811 7965 1 8 . 1 1 173 173 THR C C 173 175.940 175.940 176.956 -1.016 17811 7966 1 8 . 1 1 173 173 THR CA C 173 68.162 68.162 66.667 1.495 17811 7967 1 8 . 1 1 173 173 THR CB C 173 68.162 68.162 68.698 -0.536 17811 7968 1 8 . 1 1 173 173 THR H H 173 7.811 7.811 8.420 -0.609 17811 7969 1 8 . 1 1 174 174 GLU N N 174 118.915 118.915 121.393 -2.478 17811 7970 1 8 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.064 -0.420 17811 7971 1 8 . 1 1 174 174 GLU C C 174 178.475 178.475 178.954 -0.479 17811 7972 1 8 . 1 1 174 174 GLU CA C 174 61.381 61.381 58.892 2.489 17811 7973 1 8 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.362 0.852 17811 7974 1 8 . 1 1 174 174 GLU H H 174 7.832 7.832 7.687 0.145 17811 7975 1 8 . 1 1 175 175 LEU N N 175 119.457 119.457 121.307 -1.850 17811 7976 1 8 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.164 -0.215 17811 7977 1 8 . 1 1 175 175 LEU C C 175 178.268 178.268 178.077 0.191 17811 7978 1 8 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.473 0.757 17811 7979 1 8 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.878 0.597 17811 7980 1 8 . 1 1 175 175 LEU H H 175 8.144 8.144 7.404 0.740 17811 7981 1 8 . 1 1 176 176 LEU N N 176 120.413 120.413 119.058 1.355 17811 7982 1 8 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.173 -0.582 17811 7983 1 8 . 1 1 176 176 LEU C C 176 177.799 177.799 178.650 -0.851 17811 7984 1 8 . 1 1 176 176 LEU CA C 176 58.093 58.093 57.892 0.201 17811 7985 1 8 . 1 1 176 176 LEU CB C 176 41.721 41.721 42.113 -0.392 17811 7986 1 8 . 1 1 176 176 LEU H H 176 7.970 7.970 7.599 0.371 17811 7987 1 8 . 1 1 177 177 ILE N N 177 115.277 115.277 115.829 -0.552 17811 7988 1 8 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.655 0.272 17811 7989 1 8 . 1 1 177 177 ILE C C 177 177.123 177.123 177.656 -0.533 17811 7990 1 8 . 1 1 177 177 ILE CA C 177 65.148 65.148 63.888 1.260 17811 7991 1 8 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.913 0.520 17811 7992 1 8 . 1 1 177 177 ILE H H 177 7.576 7.576 7.616 -0.040 17811 7993 1 8 . 1 1 178 178 ALA N N 178 118.887 118.887 121.312 -2.425 17811 7994 1 8 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.053 0.968 17811 7995 1 8 . 1 1 178 178 ALA C C 178 179.901 179.901 178.377 1.524 17811 7996 1 8 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.603 0.065 17811 7997 1 8 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.304 1.320 17811 7998 1 8 . 1 1 178 178 ALA H H 178 8.237 8.237 7.712 0.525 17811 7999 1 8 . 1 1 179 179 GLN N N 179 112.225 112.225 113.759 -1.534 17811 8000 1 8 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.300 0.140 17811 8001 1 8 . 1 1 179 179 GLN C C 179 177.254 177.254 175.594 1.660 17811 8002 1 8 . 1 1 179 179 GLN CA C 179 55.627 55.627 56.124 -0.497 17811 8003 1 8 . 1 1 179 179 GLN CB C 179 30.762 30.762 30.546 0.216 17811 8004 1 8 . 1 1 179 179 GLN H H 179 8.646 8.646 8.152 0.494 17811 8005 1 8 . 1 1 180 180 GLY N N 180 109.528 109.528 109.319 0.209 17811 8006 1 8 . 1 1 180 180 GLY C C 180 173.095 173.095 174.252 -1.157 17811 8007 1 8 . 1 1 180 180 GLY CA C 180 43.845 43.845 44.609 -0.764 17811 8008 1 8 . 1 1 180 180 GLY H H 180 7.811 7.811 8.000 -0.189 17811 8009 1 8 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.178 -0.466 17811 8010 1 8 . 1 1 181 181 LEU C C 181 177.257 177.257 178.446 -1.189 17811 8011 1 8 . 1 1 181 181 LEU CA C 181 59.463 59.463 57.680 1.783 17811 8012 1 8 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.282 0.329 17811 8013 1 8 . 1 1 182 182 GLU N N 182 116.836 116.836 118.599 -1.763 17811 8014 1 8 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.188 0.039 17811 8015 1 8 . 1 1 182 182 GLU C C 182 176.406 176.406 175.989 0.417 17811 8016 1 8 . 1 1 182 182 GLU CA C 182 61.723 61.723 61.047 0.676 17811 8017 1 8 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.437 -0.717 17811 8018 1 8 . 1 1 182 182 GLU H H 182 8.909 8.909 8.701 0.208 17811 8019 1 8 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.193 0.044 17811 8020 1 8 . 1 1 183 183 PRO C C 183 179.992 179.992 177.738 2.254 17811 8021 1 8 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.937 -0.720 17811 8022 1 8 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.101 0.072 17811 8023 1 8 . 1 1 184 184 ALA N N 184 118.151 118.151 119.364 -1.213 17811 8024 1 8 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.100 -0.265 17811 8025 1 8 . 1 1 184 184 ALA C C 184 179.526 179.526 179.312 0.214 17811 8026 1 8 . 1 1 184 184 ALA CA C 184 55.490 55.490 54.907 0.584 17811 8027 1 8 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.581 -0.423 17811 8028 1 8 . 1 1 184 184 ALA H H 184 7.350 7.350 7.558 -0.208 17811 8029 1 8 . 1 1 185 185 GLN N N 185 118.148 118.148 117.000 1.148 17811 8030 1 8 . 1 1 185 185 GLN HA H 185 3.006 3.006 4.051 -1.045 17811 8031 1 8 . 1 1 185 185 GLN C C 185 177.555 177.555 178.138 -0.583 17811 8032 1 8 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.337 0.646 17811 8033 1 8 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.623 0.152 17811 8034 1 8 . 1 1 185 185 GLN H H 185 8.848 8.848 8.072 0.776 17811 8035 1 8 . 1 1 186 186 ASN N N 186 115.032 115.032 118.654 -3.622 17811 8036 1 8 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.717 -0.556 17811 8037 1 8 . 1 1 186 186 ASN C C 186 177.160 177.160 176.950 0.210 17811 8038 1 8 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.062 0.976 17811 8039 1 8 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.838 -0.610 17811 8040 1 8 . 1 1 186 186 ASN H H 186 7.537 7.537 8.076 -0.539 17811 8041 1 8 . 1 1 187 187 THR N N 187 114.421 114.421 116.510 -2.089 17811 8042 1 8 . 1 1 187 187 THR HA H 187 3.864 3.864 3.725 0.139 17811 8043 1 8 . 1 1 187 187 THR C C 187 174.739 174.739 176.248 -1.509 17811 8044 1 8 . 1 1 187 187 THR CA C 187 65.422 65.422 66.362 -0.940 17811 8045 1 8 . 1 1 187 187 THR CB C 187 69.532 69.532 68.835 0.697 17811 8046 1 8 . 1 1 187 187 THR H H 187 7.120 7.120 8.047 -0.927 17811 8047 1 8 . 1 1 188 188 VAL N N 188 119.580 119.580 118.849 0.731 17811 8048 1 8 . 1 1 188 188 VAL HA H 188 4.385 4.385 3.984 0.401 17811 8049 1 8 . 1 1 188 188 VAL C C 188 178.043 178.043 176.200 1.843 17811 8050 1 8 . 1 1 188 188 VAL CA C 188 64.326 64.326 64.634 -0.308 17811 8051 1 8 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.890 -0.032 17811 8052 1 8 . 1 1 188 188 VAL H H 188 8.333 8.333 7.475 0.858 17811 8053 1 8 . 1 1 189 189 HIS N N 189 115.949 115.949 118.395 -2.446 17811 8054 1 8 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.325 0.345 17811 8055 1 8 . 1 1 189 189 HIS C C 189 175.114 175.114 176.011 -0.897 17811 8056 1 8 . 1 1 189 189 HIS CA C 189 56.312 56.312 59.027 -2.715 17811 8057 1 8 . 1 1 189 189 HIS CB C 189 27.474 27.474 29.723 -2.248 17811 8058 1 8 . 1 1 189 189 HIS H H 189 8.674 8.674 7.527 1.147 17811 8059 1 8 . 1 1 190 190 ALA N N 190 120.346 120.346 121.030 -0.684 17811 8060 1 8 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.120 0.464 17811 8061 1 8 . 1 1 190 190 ALA C C 190 177.906 177.906 177.109 0.797 17811 8062 1 8 . 1 1 190 190 ALA CA C 190 51.791 51.791 51.748 0.043 17811 8063 1 8 . 1 1 190 190 ALA CB C 190 19.665 19.665 18.922 0.743 17811 8064 1 8 . 1 1 190 190 ALA H H 190 6.983 6.983 7.503 -0.520 17811 8065 1 9 . 1 1 2 2 ALA N N 2 125.183 125.183 127.229 -2.046 17811 8066 1 9 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.546 -0.369 17811 8067 1 9 . 1 1 2 2 ALA C C 2 174.029 174.029 176.898 -2.869 17811 8068 1 9 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.539 0.320 17811 8069 1 9 . 1 1 2 2 ALA CB C 2 19.596 19.596 18.406 1.190 17811 8070 1 9 . 1 1 2 2 ALA H H 2 8.096 8.096 8.660 -0.564 17811 8071 1 9 . 1 1 3 3 GLU N N 3 113.075 113.075 124.224 -11.149 17811 8072 1 9 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.702 -0.503 17811 8073 1 9 . 1 1 3 3 GLU C C 3 175.812 175.812 174.458 1.354 17811 8074 1 9 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.050 0.453 17811 8075 1 9 . 1 1 3 3 GLU CB C 3 31.584 31.584 30.153 1.431 17811 8076 1 9 . 1 1 3 3 GLU H H 3 7.483 7.483 8.138 -0.655 17811 8077 1 9 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.832 -0.057 17811 8078 1 9 . 1 1 4 4 PRO C C 4 174.213 174.213 176.415 -2.202 17811 8079 1 9 . 1 1 4 4 PRO CA C 4 62.271 62.271 61.807 0.464 17811 8080 1 9 . 1 1 4 4 PRO CB C 4 34.529 34.529 32.164 2.365 17811 8081 1 9 . 1 1 5 5 LEU N N 5 120.181 120.181 125.071 -4.890 17811 8082 1 9 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.222 0.078 17811 8083 1 9 . 1 1 5 5 LEU C C 5 174.926 174.926 176.170 -1.244 17811 8084 1 9 . 1 1 5 5 LEU CA C 5 54.188 54.188 54.731 -0.543 17811 8085 1 9 . 1 1 5 5 LEU CB C 5 45.694 45.694 42.616 3.078 17811 8086 1 9 . 1 1 5 5 LEU H H 5 7.953 7.953 8.440 -0.487 17811 8087 1 9 . 1 1 6 6 LEU N N 6 124.663 124.663 125.706 -1.043 17811 8088 1 9 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.591 0.696 17811 8089 1 9 . 1 1 6 6 LEU C C 6 173.293 173.293 174.843 -1.550 17811 8090 1 9 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.810 -0.923 17811 8091 1 9 . 1 1 6 6 LEU CB C 6 45.694 45.694 42.892 2.802 17811 8092 1 9 . 1 1 6 6 LEU H H 6 8.456 8.456 8.484 -0.028 17811 8093 1 9 . 1 1 7 7 VAL N N 7 128.364 128.364 129.091 -0.727 17811 8094 1 9 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.704 0.295 17811 8095 1 9 . 1 1 7 7 VAL C C 7 174.006 174.006 174.728 -0.722 17811 8096 1 9 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.456 -1.103 17811 8097 1 9 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.317 0.381 17811 8098 1 9 . 1 1 7 7 VAL H H 7 9.456 9.456 8.386 1.070 17811 8099 1 9 . 1 1 8 8 VAL N N 8 126.000 126.000 121.473 4.527 17811 8100 1 9 . 1 1 8 8 VAL HA H 8 5.054 5.054 5.280 -0.226 17811 8101 1 9 . 1 1 8 8 VAL C C 8 175.433 175.433 174.895 0.538 17811 8102 1 9 . 1 1 8 8 VAL CA C 8 59.737 59.737 58.422 1.315 17811 8103 1 9 . 1 1 8 8 VAL CB C 8 35.556 35.556 35.225 0.331 17811 8104 1 9 . 1 1 8 8 VAL H H 8 9.571 9.571 8.697 0.874 17811 8105 1 9 . 1 1 9 9 GLY N N 9 112.757 112.757 107.467 5.290 17811 8106 1 9 . 1 1 9 9 GLY C C 9 171.378 171.378 172.995 -1.617 17811 8107 1 9 . 1 1 9 9 GLY CA C 9 44.804 44.804 45.075 -0.272 17811 8108 1 9 . 1 1 9 9 GLY H H 9 8.692 8.692 8.046 0.646 17811 8109 1 9 . 1 1 10 10 LEU N N 10 119.466 119.466 121.607 -2.141 17811 8110 1 9 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.177 0.556 17811 8111 1 9 . 1 1 10 10 LEU C C 10 175.715 175.715 177.114 -1.399 17811 8112 1 9 . 1 1 10 10 LEU CA C 10 54.188 54.188 54.987 -0.799 17811 8113 1 9 . 1 1 10 10 LEU CB C 10 42.543 42.543 42.001 0.542 17811 8114 1 9 . 1 1 10 10 LEU H H 10 7.147 7.147 7.918 -0.771 17811 8115 1 9 . 1 1 11 11 GLY N N 11 109.192 109.192 110.135 -0.943 17811 8116 1 9 . 1 1 11 11 GLY C C 11 170.233 170.233 172.840 -2.607 17811 8117 1 9 . 1 1 11 11 GLY CA C 11 44.393 44.393 43.886 0.507 17811 8118 1 9 . 1 1 11 11 GLY H H 11 7.281 7.281 8.497 -1.216 17811 8119 1 9 . 1 1 12 12 ASN N N 12 115.701 115.701 117.103 -1.402 17811 8120 1 9 . 1 1 12 12 ASN HA H 12 4.762 4.762 5.083 -0.321 17811 8121 1 9 . 1 1 12 12 ASN C C 12 173.746 173.746 174.207 -0.461 17811 8122 1 9 . 1 1 12 12 ASN CA C 12 49.941 49.941 49.661 0.280 17811 8123 1 9 . 1 1 12 12 ASN CB C 12 41.516 41.516 39.601 1.915 17811 8124 1 9 . 1 1 12 12 ASN H H 12 8.946 8.946 7.605 1.341 17811 8125 1 9 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.755 -0.340 17811 8126 1 9 . 1 1 13 13 PRO C C 13 177.498 177.498 176.813 0.685 17811 8127 1 9 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.800 -0.546 17811 8128 1 9 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.248 -0.322 17811 8129 1 9 . 1 1 14 14 GLY N N 14 108.978 108.978 105.782 3.196 17811 8130 1 9 . 1 1 14 14 GLY C C 14 174.878 174.878 172.715 2.163 17811 8131 1 9 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.388 2.745 17811 8132 1 9 . 1 1 14 14 GLY H H 14 8.464 8.464 7.469 0.995 17811 8133 1 9 . 1 1 16 16 THR HA H 16 4.265 4.265 4.047 0.218 17811 8134 1 9 . 1 1 16 16 THR C C 16 175.848 175.848 175.593 0.255 17811 8135 1 9 . 1 1 16 16 THR CA C 16 65.148 65.148 65.853 -0.705 17811 8136 1 9 . 1 1 16 16 THR CB C 16 68.505 68.505 68.343 0.162 17811 8137 1 9 . 1 1 17 17 TYR N N 17 117.133 117.133 118.524 -1.391 17811 8138 1 9 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.882 -0.226 17811 8139 1 9 . 1 1 17 17 TYR C C 17 177.649 177.649 175.983 1.666 17811 8140 1 9 . 1 1 17 17 TYR CA C 17 58.367 58.367 57.907 0.460 17811 8141 1 9 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.901 1.423 17811 8142 1 9 . 1 1 17 17 TYR H H 17 7.025 7.025 7.666 -0.641 17811 8143 1 9 . 1 1 18 18 ALA N N 18 122.126 122.126 121.633 0.493 17811 8144 1 9 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.322 0.032 17811 8145 1 9 . 1 1 18 18 ALA C C 18 178.212 178.212 177.746 0.466 17811 8146 1 9 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.732 1.895 17811 8147 1 9 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.779 1.160 17811 8148 1 9 . 1 1 18 18 ALA H H 18 7.100 7.100 7.229 -0.129 17811 8149 1 9 . 1 1 19 19 LYS N N 19 115.311 115.311 117.511 -2.200 17811 8150 1 9 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.321 0.362 17811 8151 1 9 . 1 1 19 19 LYS C C 19 175.640 175.640 176.150 -0.510 17811 8152 1 9 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.632 -0.690 17811 8153 1 9 . 1 1 19 19 LYS CB C 19 32.063 32.063 31.055 1.008 17811 8154 1 9 . 1 1 19 19 LYS H H 19 8.648 8.648 8.235 0.413 17811 8155 1 9 . 1 1 20 20 THR N N 20 108.478 108.478 108.250 0.228 17811 8156 1 9 . 1 1 20 20 THR HA H 20 4.392 4.392 4.799 -0.407 17811 8157 1 9 . 1 1 20 20 THR C C 20 175.752 175.752 175.250 0.502 17811 8158 1 9 . 1 1 20 20 THR CA C 20 60.970 60.970 59.201 1.769 17811 8159 1 9 . 1 1 20 20 THR CB C 20 72.932 72.932 71.474 1.458 17811 8160 1 9 . 1 1 20 20 THR H H 20 7.349 7.349 7.251 0.098 17811 8161 1 9 . 1 1 21 21 ARG N N 21 117.638 117.638 118.279 -0.641 17811 8162 1 9 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.669 -0.963 17811 8163 1 9 . 1 1 21 21 ARG C C 21 177.480 177.480 176.707 0.773 17811 8164 1 9 . 1 1 21 21 ARG CA C 21 60.083 60.083 56.861 3.222 17811 8165 1 9 . 1 1 21 21 ARG CB C 21 29.957 29.957 30.354 -0.397 17811 8166 1 9 . 1 1 21 21 ARG H H 21 7.011 7.011 8.901 -1.890 17811 8167 1 9 . 1 1 22 22 HIS N N 22 115.074 115.074 115.526 -0.452 17811 8168 1 9 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.695 -0.834 17811 8169 1 9 . 1 1 22 22 HIS C C 22 173.274 173.274 173.956 -0.682 17811 8170 1 9 . 1 1 22 22 HIS CA C 22 53.434 53.434 55.927 -2.493 17811 8171 1 9 . 1 1 22 22 HIS CB C 22 29.460 29.460 30.008 -0.548 17811 8172 1 9 . 1 1 22 22 HIS H H 22 8.162 8.162 7.291 0.871 17811 8173 1 9 . 1 1 23 23 ASN N N 23 116.439 116.439 116.044 0.395 17811 8174 1 9 . 1 1 23 23 ASN HA H 23 4.785 4.785 5.056 -0.271 17811 8175 1 9 . 1 1 23 23 ASN C C 23 177.104 177.104 175.229 1.875 17811 8176 1 9 . 1 1 23 23 ASN CA C 23 53.024 53.024 52.308 0.716 17811 8177 1 9 . 1 1 23 23 ASN CB C 23 38.776 38.776 39.389 -0.613 17811 8178 1 9 . 1 1 23 23 ASN H H 23 7.730 7.730 7.572 0.158 17811 8179 1 9 . 1 1 24 24 LEU N N 24 123.226 123.226 122.072 1.154 17811 8180 1 9 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.089 0.257 17811 8181 1 9 . 1 1 24 24 LEU C C 24 178.681 178.681 178.415 0.266 17811 8182 1 9 . 1 1 24 24 LEU CA C 24 59.531 59.531 58.325 1.206 17811 8183 1 9 . 1 1 24 24 LEU CB C 24 43.982 43.982 41.424 2.558 17811 8184 1 9 . 1 1 24 24 LEU H H 24 7.939 7.939 7.763 0.176 17811 8185 1 9 . 1 1 25 25 GLY N N 25 104.146 104.146 107.477 -3.331 17811 8186 1 9 . 1 1 25 25 GLY C C 25 176.635 176.635 176.110 0.525 17811 8187 1 9 . 1 1 25 25 GLY CA C 25 48.640 48.640 46.914 1.726 17811 8188 1 9 . 1 1 25 25 GLY H H 25 9.209 9.209 7.937 1.272 17811 8189 1 9 . 1 1 26 26 PHE N N 26 123.654 123.654 123.307 0.347 17811 8190 1 9 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.207 -0.087 17811 8191 1 9 . 1 1 26 26 PHE C C 26 177.498 177.498 177.575 -0.077 17811 8192 1 9 . 1 1 26 26 PHE CA C 26 58.778 58.778 61.642 -2.864 17811 8193 1 9 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.430 -2.161 17811 8194 1 9 . 1 1 26 26 PHE H H 26 7.089 7.089 8.408 -1.319 17811 8195 1 9 . 1 1 27 27 MET N N 27 117.508 117.508 118.387 -0.879 17811 8196 1 9 . 1 1 27 27 MET HA H 27 4.257 4.257 4.143 0.114 17811 8197 1 9 . 1 1 27 27 MET C C 27 179.977 179.977 178.288 1.689 17811 8198 1 9 . 1 1 27 27 MET CA C 27 59.839 59.839 59.765 0.074 17811 8199 1 9 . 1 1 27 27 MET CB C 27 33.377 33.377 32.857 0.520 17811 8200 1 9 . 1 1 27 27 MET H H 27 8.061 8.061 7.608 0.453 17811 8201 1 9 . 1 1 28 28 VAL N N 28 119.068 119.068 119.683 -0.615 17811 8202 1 9 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.519 0.103 17811 8203 1 9 . 1 1 28 28 VAL C C 28 177.818 177.818 177.992 -0.174 17811 8204 1 9 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.519 -0.549 17811 8205 1 9 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.444 0.619 17811 8206 1 9 . 1 1 28 28 VAL H H 28 8.325 8.325 8.094 0.231 17811 8207 1 9 . 1 1 29 29 ALA N N 29 123.327 123.327 121.745 1.582 17811 8208 1 9 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.848 0.180 17811 8209 1 9 . 1 1 29 29 ALA C C 29 178.831 178.831 179.296 -0.465 17811 8210 1 9 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.506 0.532 17811 8211 1 9 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.082 -0.609 17811 8212 1 9 . 1 1 29 29 ALA H H 29 8.647 8.647 8.011 0.636 17811 8213 1 9 . 1 1 30 30 ASP N N 30 118.148 118.148 118.303 -0.155 17811 8214 1 9 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.281 0.398 17811 8215 1 9 . 1 1 30 30 ASP C C 30 180.089 180.089 178.745 1.344 17811 8216 1 9 . 1 1 30 30 ASP CA C 30 58.161 58.161 58.386 -0.225 17811 8217 1 9 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.703 -1.037 17811 8218 1 9 . 1 1 30 30 ASP H H 30 8.574 8.574 7.444 1.130 17811 8219 1 9 . 1 1 31 31 VAL N N 31 123.410 123.410 116.626 6.784 17811 8220 1 9 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.832 -0.037 17811 8221 1 9 . 1 1 31 31 VAL C C 31 180.070 180.070 177.278 2.792 17811 8222 1 9 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.731 0.993 17811 8223 1 9 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.897 -0.313 17811 8224 1 9 . 1 1 31 31 VAL H H 31 7.482 7.482 7.487 -0.005 17811 8225 1 9 . 1 1 32 32 LEU N N 32 121.772 121.772 116.798 4.974 17811 8226 1 9 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.371 -0.505 17811 8227 1 9 . 1 1 32 32 LEU C C 32 178.249 178.249 179.104 -0.855 17811 8228 1 9 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.248 1.119 17811 8229 1 9 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.794 1.475 17811 8230 1 9 . 1 1 32 32 LEU H H 32 8.785 8.785 7.677 1.108 17811 8231 1 9 . 1 1 33 33 ALA N N 33 122.901 122.901 122.326 0.575 17811 8232 1 9 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.056 -0.446 17811 8233 1 9 . 1 1 33 33 ALA C C 33 179.808 179.808 179.117 0.691 17811 8234 1 9 . 1 1 33 33 ALA CA C 33 55.832 55.832 54.650 1.182 17811 8235 1 9 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.235 0.334 17811 8236 1 9 . 1 1 33 33 ALA H H 33 8.711 8.711 7.713 0.998 17811 8237 1 9 . 1 1 34 34 GLY N N 34 105.309 105.309 105.093 0.216 17811 8238 1 9 . 1 1 34 34 GLY C C 34 176.184 176.184 176.096 0.088 17811 8239 1 9 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.395 0.395 17811 8240 1 9 . 1 1 34 34 GLY H H 34 7.665 7.665 7.931 -0.266 17811 8241 1 9 . 1 1 35 35 ARG N N 35 121.117 121.117 120.036 1.081 17811 8242 1 9 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.138 -0.023 17811 8243 1 9 . 1 1 35 35 ARG C C 35 178.812 178.812 177.876 0.936 17811 8244 1 9 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.652 1.742 17811 8245 1 9 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.677 -0.011 17811 8246 1 9 . 1 1 35 35 ARG H H 35 7.623 7.623 7.467 0.156 17811 8247 1 9 . 1 1 36 36 ILE N N 36 120.413 120.413 115.868 4.545 17811 8248 1 9 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.113 -0.391 17811 8249 1 9 . 1 1 36 36 ILE C C 36 177.142 177.142 176.781 0.361 17811 8250 1 9 . 1 1 36 36 ILE CA C 36 64.600 64.600 61.145 3.454 17811 8251 1 9 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.225 0.551 17811 8252 1 9 . 1 1 36 36 ILE H H 36 7.950 7.950 7.580 0.370 17811 8253 1 9 . 1 1 37 37 GLY N N 37 107.419 107.419 107.638 -0.219 17811 8254 1 9 . 1 1 37 37 GLY C C 37 174.307 174.307 174.938 -0.631 17811 8255 1 9 . 1 1 37 37 GLY CA C 37 45.420 45.420 45.004 0.416 17811 8256 1 9 . 1 1 37 37 GLY H H 37 8.305 8.305 7.417 0.888 17811 8257 1 9 . 1 1 38 38 SER N N 38 113.320 113.320 119.538 -6.218 17811 8258 1 9 . 1 1 38 38 SER HA H 38 4.683 4.683 4.636 0.047 17811 8259 1 9 . 1 1 38 38 SER C C 38 171.472 171.472 172.996 -1.524 17811 8260 1 9 . 1 1 38 38 SER CA C 38 56.654 56.654 58.466 -1.812 17811 8261 1 9 . 1 1 38 38 SER CB C 38 66.244 66.244 63.249 2.995 17811 8262 1 9 . 1 1 38 38 SER H H 38 7.101 7.101 7.868 -0.767 17811 8263 1 9 . 1 1 39 39 ALA N N 39 123.838 123.838 126.723 -2.885 17811 8264 1 9 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.653 -0.251 17811 8265 1 9 . 1 1 39 39 ALA C C 39 177.708 177.708 176.003 1.705 17811 8266 1 9 . 1 1 39 39 ALA CA C 39 50.695 50.695 52.581 -1.886 17811 8267 1 9 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.782 -0.158 17811 8268 1 9 . 1 1 39 39 ALA H H 39 8.032 8.032 8.261 -0.229 17811 8269 1 9 . 1 1 40 40 PHE N N 40 118.117 118.117 122.306 -4.189 17811 8270 1 9 . 1 1 40 40 PHE HA H 40 4.039 4.039 5.178 -1.139 17811 8271 1 9 . 1 1 40 40 PHE C C 40 176.672 176.672 175.978 0.694 17811 8272 1 9 . 1 1 40 40 PHE CA C 40 59.942 59.942 56.779 3.163 17811 8273 1 9 . 1 1 40 40 PHE CB C 40 40.694 40.694 41.137 -0.443 17811 8274 1 9 . 1 1 40 40 PHE H H 40 8.066 8.066 8.577 -0.511 17811 8275 1 9 . 1 1 41 41 LYS N N 41 120.915 120.915 119.473 1.442 17811 8276 1 9 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.659 0.103 17811 8277 1 9 . 1 1 41 41 LYS C C 41 176.034 176.034 175.396 0.638 17811 8278 1 9 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.941 -0.205 17811 8279 1 9 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.754 1.556 17811 8280 1 9 . 1 1 41 41 LYS H H 41 8.593 8.593 8.768 -0.175 17811 8281 1 9 . 1 1 42 42 VAL N N 42 123.504 123.504 121.644 1.860 17811 8282 1 9 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.140 -0.308 17811 8283 1 9 . 1 1 42 42 VAL C C 42 175.377 175.377 174.802 0.575 17811 8284 1 9 . 1 1 42 42 VAL CA C 42 64.874 64.874 63.563 1.310 17811 8285 1 9 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.461 0.465 17811 8286 1 9 . 1 1 42 42 VAL H H 42 8.707 8.707 8.479 0.228 17811 8287 1 9 . 1 1 43 43 HIS N N 43 132.195 132.195 126.903 5.292 17811 8288 1 9 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.813 -0.288 17811 8289 1 9 . 1 1 43 43 HIS C C 43 175.104 175.104 174.800 0.304 17811 8290 1 9 . 1 1 43 43 HIS CA C 43 56.106 56.106 55.783 0.323 17811 8291 1 9 . 1 1 43 43 HIS CB C 43 31.721 31.721 32.954 -1.233 17811 8292 1 9 . 1 1 43 43 HIS H H 43 9.354 9.354 8.242 1.112 17811 8293 1 9 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.230 -0.290 17811 8294 1 9 . 1 1 45 45 LYS C C 45 177.001 177.001 178.026 -1.025 17811 8295 1 9 . 1 1 45 45 LYS CA C 45 58.367 58.367 58.577 -0.210 17811 8296 1 9 . 1 1 45 45 LYS CB C 45 32.200 32.200 31.077 1.123 17811 8297 1 9 . 1 1 46 46 SER N N 46 111.577 111.577 115.096 -3.519 17811 8298 1 9 . 1 1 46 46 SER HA H 46 4.414 4.414 4.605 -0.191 17811 8299 1 9 . 1 1 46 46 SER C C 46 174.926 174.926 175.233 -0.307 17811 8300 1 9 . 1 1 46 46 SER CA C 46 60.011 60.011 59.090 0.921 17811 8301 1 9 . 1 1 46 46 SER CB C 46 65.354 65.354 63.666 1.688 17811 8302 1 9 . 1 1 46 46 SER H H 46 7.746 7.746 8.518 -0.772 17811 8303 1 9 . 1 1 47 47 GLY N N 47 112.402 112.402 108.319 4.083 17811 8304 1 9 . 1 1 47 47 GLY C C 47 173.180 173.180 173.189 -0.009 17811 8305 1 9 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.850 0.365 17811 8306 1 9 . 1 1 47 47 GLY H H 47 8.692 8.692 8.406 0.286 17811 8307 1 9 . 1 1 48 48 ALA N N 48 120.322 120.322 121.731 -1.409 17811 8308 1 9 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.613 -0.197 17811 8309 1 9 . 1 1 48 48 ALA C C 48 175.621 175.621 175.746 -0.125 17811 8310 1 9 . 1 1 48 48 ALA CA C 48 51.585 51.585 50.996 0.589 17811 8311 1 9 . 1 1 48 48 ALA CB C 48 19.802 19.802 21.283 -1.481 17811 8312 1 9 . 1 1 48 48 ALA H H 48 7.740 7.740 7.504 0.236 17811 8313 1 9 . 1 1 49 49 GLU N N 49 116.907 116.907 120.275 -3.368 17811 8314 1 9 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.520 0.406 17811 8315 1 9 . 1 1 49 49 GLU C C 49 176.184 176.184 175.809 0.375 17811 8316 1 9 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.872 -1.314 17811 8317 1 9 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.701 1.157 17811 8318 1 9 . 1 1 49 49 GLU H H 49 8.262 8.262 8.640 -0.378 17811 8319 1 9 . 1 1 50 50 VAL N N 50 117.403 117.403 119.214 -1.811 17811 8320 1 9 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.055 0.785 17811 8321 1 9 . 1 1 50 50 VAL C C 50 176.053 176.053 173.748 2.305 17811 8322 1 9 . 1 1 50 50 VAL CA C 50 60.011 60.011 60.050 -0.039 17811 8323 1 9 . 1 1 50 50 VAL CB C 50 38.091 38.091 34.762 3.329 17811 8324 1 9 . 1 1 50 50 VAL H H 50 9.223 9.223 8.210 1.013 17811 8325 1 9 . 1 1 51 51 VAL N N 51 125.278 125.278 124.276 1.002 17811 8326 1 9 . 1 1 51 51 VAL HA H 51 4.151 4.151 3.677 0.474 17811 8327 1 9 . 1 1 51 51 VAL C C 51 173.706 173.706 173.767 -0.061 17811 8328 1 9 . 1 1 51 51 VAL CA C 51 61.449 61.449 59.260 2.189 17811 8329 1 9 . 1 1 51 51 VAL CB C 51 35.899 35.899 34.001 1.898 17811 8330 1 9 . 1 1 51 51 VAL H H 51 9.266 9.266 8.766 0.500 17811 8331 1 9 . 1 1 52 52 THR N N 52 115.674 115.674 123.344 -7.670 17811 8332 1 9 . 1 1 52 52 THR HA H 52 5.168 5.168 4.460 0.708 17811 8333 1 9 . 1 1 52 52 THR C C 52 173.669 173.669 174.168 -0.499 17811 8334 1 9 . 1 1 52 52 THR CA C 52 58.709 58.709 61.668 -2.959 17811 8335 1 9 . 1 1 52 52 THR CB C 52 70.628 70.628 69.376 1.252 17811 8336 1 9 . 1 1 52 52 THR H H 52 8.243 8.243 6.977 1.266 17811 8337 1 9 . 1 1 53 53 GLY N N 53 108.122 108.122 113.966 -5.844 17811 8338 1 9 . 1 1 53 53 GLY C C 53 170.721 170.721 171.457 -0.736 17811 8339 1 9 . 1 1 53 53 GLY CA C 53 45.489 45.489 45.446 0.043 17811 8340 1 9 . 1 1 53 53 GLY H H 53 7.908 7.908 7.971 -0.063 17811 8341 1 9 . 1 1 54 54 ARG N N 54 120.750 120.750 120.093 0.657 17811 8342 1 9 . 1 1 54 54 ARG HA H 54 5.105 5.105 4.911 0.194 17811 8343 1 9 . 1 1 54 54 ARG C C 54 175.095 175.095 174.806 0.289 17811 8344 1 9 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.107 -0.097 17811 8345 1 9 . 1 1 54 54 ARG CB C 54 32.474 32.474 32.624 -0.150 17811 8346 1 9 . 1 1 54 54 ARG H H 54 8.379 8.379 8.312 0.067 17811 8347 1 9 . 1 1 55 55 LEU N N 55 123.787 123.787 124.289 -0.502 17811 8348 1 9 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.564 -0.137 17811 8349 1 9 . 1 1 55 55 LEU C C 55 175.058 175.058 177.274 -2.216 17811 8350 1 9 . 1 1 55 55 LEU CA C 55 53.572 53.572 54.116 -0.544 17811 8351 1 9 . 1 1 55 55 LEU CB C 55 45.968 45.968 42.769 3.199 17811 8352 1 9 . 1 1 55 55 LEU H H 55 8.777 8.777 8.185 0.592 17811 8353 1 9 . 1 1 56 56 ALA N N 56 127.548 127.548 127.042 0.506 17811 8354 1 9 . 1 1 56 56 ALA HA H 56 3.930 3.930 4.013 -0.083 17811 8355 1 9 . 1 1 56 56 ALA C C 56 177.855 177.855 177.134 0.721 17811 8356 1 9 . 1 1 56 56 ALA CA C 56 53.092 53.092 54.049 -0.957 17811 8357 1 9 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.754 -0.144 17811 8358 1 9 . 1 1 56 56 ALA H H 56 9.275 9.275 8.996 0.279 17811 8359 1 9 . 1 1 57 57 GLY N N 57 103.215 103.215 103.065 0.150 17811 8360 1 9 . 1 1 57 57 GLY C C 57 174.157 174.157 174.137 0.020 17811 8361 1 9 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.537 0.157 17811 8362 1 9 . 1 1 57 57 GLY H H 57 8.507 8.507 8.547 -0.040 17811 8363 1 9 . 1 1 58 58 THR N N 58 119.802 119.802 119.781 0.021 17811 8364 1 9 . 1 1 58 58 THR HA H 58 4.411 4.411 4.602 -0.191 17811 8365 1 9 . 1 1 58 58 THR C C 58 172.711 172.711 173.759 -1.048 17811 8366 1 9 . 1 1 58 58 THR CA C 58 62.134 62.134 61.901 0.233 17811 8367 1 9 . 1 1 58 58 THR CB C 58 71.313 71.313 70.352 0.961 17811 8368 1 9 . 1 1 58 58 THR H H 58 8.017 8.017 7.636 0.381 17811 8369 1 9 . 1 1 59 59 SER N N 59 122.901 122.901 119.668 3.233 17811 8370 1 9 . 1 1 59 59 SER HA H 59 4.492 4.492 4.666 -0.174 17811 8371 1 9 . 1 1 59 59 SER C C 59 173.537 173.537 174.262 -0.725 17811 8372 1 9 . 1 1 59 59 SER CA C 59 59.600 59.600 58.382 1.218 17811 8373 1 9 . 1 1 59 59 SER CB C 59 63.367 63.367 63.449 -0.082 17811 8374 1 9 . 1 1 59 59 SER H H 59 9.013 9.013 8.533 0.480 17811 8375 1 9 . 1 1 60 60 VAL N N 60 119.354 119.354 114.471 4.883 17811 8376 1 9 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.679 0.381 17811 8377 1 9 . 1 1 60 60 VAL C C 60 174.926 174.926 173.911 1.015 17811 8378 1 9 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.749 -0.423 17811 8379 1 9 . 1 1 60 60 VAL CB C 60 36.378 36.378 35.647 0.731 17811 8380 1 9 . 1 1 60 60 VAL H H 60 8.836 8.836 8.966 -0.130 17811 8381 1 9 . 1 1 61 61 VAL N N 61 124.480 124.480 121.431 3.049 17811 8382 1 9 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.145 0.020 17811 8383 1 9 . 1 1 61 61 VAL C C 61 173.218 173.218 174.144 -0.926 17811 8384 1 9 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.645 1.284 17811 8385 1 9 . 1 1 61 61 VAL CB C 61 32.474 32.474 31.925 0.548 17811 8386 1 9 . 1 1 61 61 VAL H H 61 8.507 8.507 8.834 -0.327 17811 8387 1 9 . 1 1 62 62 LEU N N 62 129.499 129.499 130.413 -0.914 17811 8388 1 9 . 1 1 62 62 LEU HA H 62 5.472 5.472 4.920 0.552 17811 8389 1 9 . 1 1 62 62 LEU C C 62 175.095 175.095 174.374 0.721 17811 8390 1 9 . 1 1 62 62 LEU CA C 62 52.750 52.750 52.815 -0.065 17811 8391 1 9 . 1 1 62 62 LEU CB C 62 44.872 44.872 43.123 1.749 17811 8392 1 9 . 1 1 62 62 LEU H H 62 9.202 9.202 7.910 1.292 17811 8393 1 9 . 1 1 63 63 ALA N N 63 126.661 126.661 129.858 -3.197 17811 8394 1 9 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.425 0.447 17811 8395 1 9 . 1 1 63 63 ALA C C 63 175.583 175.583 175.331 0.252 17811 8396 1 9 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.681 -0.397 17811 8397 1 9 . 1 1 63 63 ALA CB C 63 25.556 25.556 22.660 2.896 17811 8398 1 9 . 1 1 63 63 ALA H H 63 9.567 9.567 8.295 1.272 17811 8399 1 9 . 1 1 64 64 LYS N N 64 117.967 117.967 122.573 -4.606 17811 8400 1 9 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.088 -0.088 17811 8401 1 9 . 1 1 64 64 LYS C C 64 174.057 174.057 173.796 0.261 17811 8402 1 9 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.711 0.587 17811 8403 1 9 . 1 1 64 64 LYS CB C 64 34.734 34.734 33.719 1.015 17811 8404 1 9 . 1 1 64 64 LYS H H 64 8.422 8.422 7.815 0.607 17811 8405 1 9 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.769 -0.235 17811 8406 1 9 . 1 1 65 65 PRO C C 65 174.946 174.946 176.920 -1.974 17811 8407 1 9 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.079 0.603 17811 8408 1 9 . 1 1 65 65 PRO CB C 65 32.748 32.748 33.099 -0.351 17811 8409 1 9 . 1 1 66 66 ARG N N 66 121.057 121.057 117.990 3.067 17811 8410 1 9 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.631 -0.114 17811 8411 1 9 . 1 1 66 66 ARG C C 66 175.264 175.264 175.262 0.002 17811 8412 1 9 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.425 -1.483 17811 8413 1 9 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.811 0.430 17811 8414 1 9 . 1 1 66 66 ARG H H 66 9.377 9.377 8.712 0.665 17811 8415 1 9 . 1 1 67 67 CYS N N 67 115.093 115.093 117.340 -2.247 17811 8416 1 9 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.666 0.040 17811 8417 1 9 . 1 1 67 67 CYS C C 67 172.092 172.092 174.856 -2.764 17811 8418 1 9 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.458 -3.133 17811 8419 1 9 . 1 1 67 67 CYS CB C 67 30.899 30.899 30.160 0.739 17811 8420 1 9 . 1 1 67 67 CYS H H 67 7.303 7.303 7.698 -0.395 17811 8421 1 9 . 1 1 68 68 TYR N N 68 115.888 115.888 119.047 -3.159 17811 8422 1 9 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.321 0.099 17811 8423 1 9 . 1 1 68 68 TYR C C 68 178.080 178.080 178.287 -0.207 17811 8424 1 9 . 1 1 68 68 TYR CA C 68 59.874 59.874 59.116 0.758 17811 8425 1 9 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.819 -0.454 17811 8426 1 9 . 1 1 68 68 TYR H H 68 8.201 8.201 8.361 -0.160 17811 8427 1 9 . 1 1 69 69 MET N N 69 119.802 119.802 118.432 1.370 17811 8428 1 9 . 1 1 69 69 MET HA H 69 4.137 4.137 4.065 0.072 17811 8429 1 9 . 1 1 69 69 MET C C 69 175.076 175.076 176.722 -1.646 17811 8430 1 9 . 1 1 69 69 MET CA C 69 58.641 58.641 58.401 0.240 17811 8431 1 9 . 1 1 69 69 MET CB C 69 33.090 33.090 32.697 0.393 17811 8432 1 9 . 1 1 69 69 MET H H 69 8.367 8.367 8.814 -0.447 17811 8433 1 9 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.590 -0.295 17811 8434 1 9 . 1 1 70 70 ASN C C 70 175.274 175.274 175.919 -0.645 17811 8435 1 9 . 1 1 70 70 ASN CA C 70 55.284 55.284 55.232 0.052 17811 8436 1 9 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.602 -1.128 17811 8437 1 9 . 1 1 71 71 GLU N N 71 117.111 117.111 116.464 0.647 17811 8438 1 9 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.456 0.298 17811 8439 1 9 . 1 1 71 71 GLU C C 71 176.823 176.823 178.012 -1.189 17811 8440 1 9 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.345 -0.924 17811 8441 1 9 . 1 1 71 71 GLU CB C 71 31.036 31.036 29.739 1.297 17811 8442 1 9 . 1 1 71 71 GLU H H 71 8.007 8.007 8.073 -0.066 17811 8443 1 9 . 1 1 72 72 SER N N 72 115.827 115.827 116.621 -0.794 17811 8444 1 9 . 1 1 72 72 SER HA H 72 4.726 4.726 4.266 0.460 17811 8445 1 9 . 1 1 72 72 SER C C 72 177.029 177.029 176.924 0.105 17811 8446 1 9 . 1 1 72 72 SER CA C 72 63.778 63.778 61.617 2.161 17811 8447 1 9 . 1 1 72 72 SER CB C 72 63.890 63.890 62.700 1.190 17811 8448 1 9 . 1 1 72 72 SER H H 72 7.703 7.703 7.805 -0.102 17811 8449 1 9 . 1 1 73 73 GLY N N 73 109.887 109.887 108.279 1.608 17811 8450 1 9 . 1 1 73 73 GLY C C 73 173.988 173.988 175.438 -1.450 17811 8451 1 9 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.664 1.770 17811 8452 1 9 . 1 1 73 73 GLY H H 73 9.527 9.527 8.391 1.136 17811 8453 1 9 . 1 1 74 74 ARG N N 74 119.068 119.068 118.838 0.230 17811 8454 1 9 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.113 0.066 17811 8455 1 9 . 1 1 74 74 ARG C C 74 176.973 176.973 178.111 -1.138 17811 8456 1 9 . 1 1 74 74 ARG CA C 74 58.024 58.024 58.063 -0.039 17811 8457 1 9 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.380 0.287 17811 8458 1 9 . 1 1 74 74 ARG H H 74 8.207 8.207 7.467 0.740 17811 8459 1 9 . 1 1 75 75 GLN N N 75 113.474 113.474 116.126 -2.652 17811 8460 1 9 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.380 0.243 17811 8461 1 9 . 1 1 75 75 GLN C C 75 175.840 175.840 177.957 -2.117 17811 8462 1 9 . 1 1 75 75 GLN CA C 75 57.613 57.613 56.607 1.006 17811 8463 1 9 . 1 1 75 75 GLN CB C 75 29.597 29.597 29.091 0.506 17811 8464 1 9 . 1 1 75 75 GLN H H 75 7.260 7.260 7.637 -0.377 17811 8465 1 9 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.664 -0.234 17811 8466 1 9 . 1 1 76 76 VAL C C 76 176.463 176.463 177.579 -1.116 17811 8467 1 9 . 1 1 76 76 VAL CA C 76 66.998 66.998 66.130 0.868 17811 8468 1 9 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.343 1.131 17811 8469 1 9 . 1 1 77 77 GLY N N 77 104.918 104.918 108.319 -3.401 17811 8470 1 9 . 1 1 77 77 GLY C C 77 175.472 175.472 173.279 2.193 17811 8471 1 9 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.434 -0.205 17811 8472 1 9 . 1 1 77 77 GLY H H 77 8.541 8.541 8.105 0.436 17811 8473 1 9 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.168 0.049 17811 8474 1 9 . 1 1 78 78 PRO C C 78 179.208 179.208 177.779 1.429 17811 8475 1 9 . 1 1 78 78 PRO CA C 78 65.148 65.148 64.990 0.158 17811 8476 1 9 . 1 1 78 78 PRO CB C 78 32.268 32.268 30.982 1.286 17811 8477 1 9 . 1 1 79 79 LEU N N 79 119.649 119.649 119.922 -0.273 17811 8478 1 9 . 1 1 79 79 LEU HA H 79 3.954 3.954 3.964 -0.010 17811 8479 1 9 . 1 1 79 79 LEU C C 79 177.367 177.367 179.118 -1.751 17811 8480 1 9 . 1 1 79 79 LEU CA C 79 58.504 58.504 57.373 1.131 17811 8481 1 9 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.042 1.844 17811 8482 1 9 . 1 1 79 79 LEU H H 79 7.466 7.466 7.231 0.235 17811 8483 1 9 . 1 1 80 80 ALA N N 80 120.470 120.470 120.469 0.001 17811 8484 1 9 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.043 -0.155 17811 8485 1 9 . 1 1 80 80 ALA C C 80 179.939 179.939 179.695 0.244 17811 8486 1 9 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.272 0.218 17811 8487 1 9 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.475 -0.865 17811 8488 1 9 . 1 1 80 80 ALA H H 80 8.279 8.279 8.132 0.147 17811 8489 1 9 . 1 1 81 81 LYS N N 81 116.408 116.408 115.895 0.513 17811 8490 1 9 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.234 -0.140 17811 8491 1 9 . 1 1 81 81 LYS C C 81 179.920 179.920 177.938 1.982 17811 8492 1 9 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.444 0.471 17811 8493 1 9 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.463 -0.126 17811 8494 1 9 . 1 1 81 81 LYS H H 81 7.798 7.798 7.494 0.304 17811 8495 1 9 . 1 1 82 82 PHE N N 82 121.199 121.199 115.838 5.361 17811 8496 1 9 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.339 -0.304 17811 8497 1 9 . 1 1 82 82 PHE C C 82 177.254 177.254 176.396 0.858 17811 8498 1 9 . 1 1 82 82 PHE CA C 82 61.449 61.449 58.450 2.999 17811 8499 1 9 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.877 0.036 17811 8500 1 9 . 1 1 82 82 PHE H H 82 8.489 8.489 7.636 0.853 17811 8501 1 9 . 1 1 83 83 TYR N N 83 114.176 114.176 115.516 -1.340 17811 8502 1 9 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.592 -0.188 17811 8503 1 9 . 1 1 83 83 TYR C C 83 173.368 173.368 175.732 -2.364 17811 8504 1 9 . 1 1 83 83 TYR CA C 83 59.600 59.600 57.984 1.616 17811 8505 1 9 . 1 1 83 83 TYR CB C 83 39.050 39.050 39.773 -0.723 17811 8506 1 9 . 1 1 83 83 TYR H H 83 7.634 7.634 7.507 0.127 17811 8507 1 9 . 1 1 84 84 SER N N 84 114.910 114.910 114.165 0.745 17811 8508 1 9 . 1 1 84 84 SER HA H 84 4.020 4.020 4.255 -0.235 17811 8509 1 9 . 1 1 84 84 SER C C 84 173.518 173.518 174.582 -1.064 17811 8510 1 9 . 1 1 84 84 SER CA C 84 58.367 58.367 58.495 -0.127 17811 8511 1 9 . 1 1 84 84 SER CB C 84 61.244 61.244 62.375 -1.131 17811 8512 1 9 . 1 1 84 84 SER H H 84 7.674 7.674 7.923 -0.249 17811 8513 1 9 . 1 1 85 85 VAL N N 85 120.291 120.291 117.821 2.470 17811 8514 1 9 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.373 -0.416 17811 8515 1 9 . 1 1 85 85 VAL C C 85 174.171 174.171 174.049 0.122 17811 8516 1 9 . 1 1 85 85 VAL CA C 85 59.326 59.326 59.540 -0.214 17811 8517 1 9 . 1 1 85 85 VAL CB C 85 33.296 33.296 31.070 2.226 17811 8518 1 9 . 1 1 85 85 VAL H H 85 8.456 8.456 7.538 0.918 17811 8519 1 9 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.402 -0.046 17811 8520 1 9 . 1 1 89 89 GLN C C 89 179.299 179.299 174.605 4.694 17811 8521 1 9 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.782 1.050 17811 8522 1 9 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.480 -0.225 17811 8523 1 9 . 1 1 90 90 ILE N N 90 119.343 119.343 122.193 -2.850 17811 8524 1 9 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.393 -0.331 17811 8525 1 9 . 1 1 90 90 ILE C C 90 175.020 175.020 175.065 -0.045 17811 8526 1 9 . 1 1 90 90 ILE CA C 90 60.627 60.627 61.319 -0.692 17811 8527 1 9 . 1 1 90 90 ILE CB C 90 38.365 38.365 37.777 0.588 17811 8528 1 9 . 1 1 90 90 ILE H H 90 7.728 7.728 7.476 0.252 17811 8529 1 9 . 1 1 91 91 VAL N N 91 127.979 127.979 123.644 4.335 17811 8530 1 9 . 1 1 91 91 VAL HA H 91 4.454 4.454 5.317 -0.863 17811 8531 1 9 . 1 1 91 91 VAL C C 91 174.119 174.119 174.030 0.089 17811 8532 1 9 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.466 1.024 17811 8533 1 9 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.748 -0.151 17811 8534 1 9 . 1 1 91 91 VAL H H 91 9.358 9.358 9.073 0.285 17811 8535 1 9 . 1 1 92 92 VAL N N 92 127.153 127.153 125.037 2.116 17811 8536 1 9 . 1 1 92 92 VAL HA H 92 4.155 4.155 5.222 -1.067 17811 8537 1 9 . 1 1 92 92 VAL C C 92 174.326 174.326 174.316 0.010 17811 8538 1 9 . 1 1 92 92 VAL CA C 92 61.107 61.107 59.419 1.688 17811 8539 1 9 . 1 1 92 92 VAL CB C 92 33.570 33.570 36.057 -2.487 17811 8540 1 9 . 1 1 92 92 VAL H H 92 9.268 9.268 8.566 0.702 17811 8541 1 9 . 1 1 93 93 ILE N N 93 128.894 128.894 130.062 -1.168 17811 8542 1 9 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.339 0.661 17811 8543 1 9 . 1 1 93 93 ILE C C 93 174.945 174.945 174.862 0.083 17811 8544 1 9 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.339 0.631 17811 8545 1 9 . 1 1 93 93 ILE CB C 93 39.461 39.461 35.834 3.627 17811 8546 1 9 . 1 1 93 93 ILE H H 93 9.198 9.198 8.856 0.342 17811 8547 1 9 . 1 1 94 94 HIS N N 94 121.624 121.624 127.101 -5.477 17811 8548 1 9 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.874 0.550 17811 8549 1 9 . 1 1 94 94 HIS C C 94 171.510 171.510 173.071 -1.561 17811 8550 1 9 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.723 -0.535 17811 8551 1 9 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.489 -1.741 17811 8552 1 9 . 1 1 94 94 HIS H H 94 8.762 8.762 8.695 0.067 17811 8553 1 9 . 1 1 95 95 ASP N N 95 115.353 115.353 119.650 -4.297 17811 8554 1 9 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.735 0.369 17811 8555 1 9 . 1 1 95 95 ASP C C 95 177.555 177.555 174.948 2.607 17811 8556 1 9 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.283 -0.465 17811 8557 1 9 . 1 1 95 95 ASP CB C 95 42.064 42.064 42.025 0.039 17811 8558 1 9 . 1 1 95 95 ASP H H 95 10.045 10.045 8.590 1.455 17811 8559 1 9 . 1 1 96 96 GLU N N 96 125.562 125.562 119.740 5.822 17811 8560 1 9 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.825 0.409 17811 8561 1 9 . 1 1 96 96 GLU C C 96 175.245 175.245 176.434 -1.189 17811 8562 1 9 . 1 1 96 96 GLU CA C 96 54.599 54.599 55.299 -0.700 17811 8563 1 9 . 1 1 96 96 GLU CB C 96 34.255 34.255 33.203 1.052 17811 8564 1 9 . 1 1 96 96 GLU H H 96 9.100 9.100 8.186 0.914 17811 8565 1 9 . 1 1 97 97 LEU N N 97 130.882 130.882 121.234 9.648 17811 8566 1 9 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.458 0.050 17811 8567 1 9 . 1 1 97 97 LEU C C 97 177.911 177.911 177.654 0.257 17811 8568 1 9 . 1 1 97 97 LEU CA C 97 56.928 56.928 55.573 1.355 17811 8569 1 9 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.685 1.954 17811 8570 1 9 . 1 1 97 97 LEU H H 97 8.774 8.774 8.645 0.130 17811 8571 1 9 . 1 1 98 98 ASP N N 98 114.282 114.282 118.129 -3.847 17811 8572 1 9 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.396 0.069 17811 8573 1 9 . 1 1 98 98 ASP C C 98 175.339 175.339 176.102 -0.763 17811 8574 1 9 . 1 1 98 98 ASP CA C 98 55.969 55.969 55.431 0.538 17811 8575 1 9 . 1 1 98 98 ASP CB C 98 40.625 40.625 40.827 -0.202 17811 8576 1 9 . 1 1 98 98 ASP H H 98 8.729 8.729 8.542 0.187 17811 8577 1 9 . 1 1 99 99 ILE N N 99 116.163 116.163 119.895 -3.732 17811 8578 1 9 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.395 -0.509 17811 8579 1 9 . 1 1 99 99 ILE C C 99 174.044 174.044 174.153 -0.109 17811 8580 1 9 . 1 1 99 99 ILE CA C 99 59.394 59.394 59.292 0.102 17811 8581 1 9 . 1 1 99 99 ILE CB C 99 40.968 40.968 41.935 -0.967 17811 8582 1 9 . 1 1 99 99 ILE H H 99 7.149 7.149 7.209 -0.060 17811 8583 1 9 . 1 1 100 100 ASP N N 100 122.370 122.370 122.230 0.140 17811 8584 1 9 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.666 -0.365 17811 8585 1 9 . 1 1 100 100 ASP C C 100 175.321 175.321 175.886 -0.565 17811 8586 1 9 . 1 1 100 100 ASP CA C 100 55.216 55.216 53.821 1.395 17811 8587 1 9 . 1 1 100 100 ASP CB C 100 41.584 41.584 41.680 -0.096 17811 8588 1 9 . 1 1 100 100 ASP H H 100 8.109 8.109 8.358 -0.249 17811 8589 1 9 . 1 1 101 101 PHE N N 101 119.674 119.674 119.507 0.167 17811 8590 1 9 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.638 -0.605 17811 8591 1 9 . 1 1 101 101 PHE C C 101 176.654 176.654 177.189 -0.535 17811 8592 1 9 . 1 1 101 101 PHE CA C 101 59.463 59.463 60.166 -0.703 17811 8593 1 9 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.132 0.192 17811 8594 1 9 . 1 1 101 101 PHE H H 101 8.598 8.598 8.782 -0.184 17811 8595 1 9 . 1 1 102 102 GLY N N 102 116.800 116.800 112.687 4.113 17811 8596 1 9 . 1 1 102 102 GLY C C 102 172.749 172.749 172.739 0.010 17811 8597 1 9 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.154 0.061 17811 8598 1 9 . 1 1 102 102 GLY H H 102 8.550 8.550 8.254 0.296 17811 8599 1 9 . 1 1 103 103 ARG N N 103 118.304 118.304 122.029 -3.725 17811 8600 1 9 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.399 0.139 17811 8601 1 9 . 1 1 103 103 ARG C C 103 175.114 175.114 175.970 -0.856 17811 8602 1 9 . 1 1 103 103 ARG CA C 103 54.736 54.736 55.591 -0.855 17811 8603 1 9 . 1 1 103 103 ARG CB C 103 31.310 31.310 30.141 1.169 17811 8604 1 9 . 1 1 103 103 ARG H H 103 7.730 7.730 8.236 -0.506 17811 8605 1 9 . 1 1 104 104 ILE N N 104 122.440 122.440 117.605 4.835 17811 8606 1 9 . 1 1 104 104 ILE HA H 104 4.971 4.971 4.329 0.642 17811 8607 1 9 . 1 1 104 104 ILE C C 104 175.884 175.884 175.417 0.467 17811 8608 1 9 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.162 0.643 17811 8609 1 9 . 1 1 104 104 ILE CB C 104 40.968 40.968 39.840 1.128 17811 8610 1 9 . 1 1 104 104 ILE H H 104 8.687 8.687 8.132 0.555 17811 8611 1 9 . 1 1 105 105 ARG N N 105 124.391 124.391 119.793 4.598 17811 8612 1 9 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.667 0.235 17811 8613 1 9 . 1 1 105 105 ARG C C 105 174.157 174.157 174.299 -0.142 17811 8614 1 9 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.699 -2.785 17811 8615 1 9 . 1 1 105 105 ARG CB C 105 34.597 34.597 32.414 2.183 17811 8616 1 9 . 1 1 105 105 ARG H H 105 9.025 9.025 8.016 1.009 17811 8617 1 9 . 1 1 106 106 LEU N N 106 123.612 123.612 125.308 -1.696 17811 8618 1 9 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.413 1.118 17811 8619 1 9 . 1 1 106 106 LEU C C 106 178.303 178.303 176.518 1.785 17811 8620 1 9 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.158 -0.997 17811 8621 1 9 . 1 1 106 106 LEU CB C 106 45.420 45.420 42.828 2.592 17811 8622 1 9 . 1 1 106 106 LEU H H 106 11.263 11.263 8.489 2.774 17811 8623 1 9 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.556 -0.480 17811 8624 1 9 . 1 1 107 107 LYS C C 107 175.241 175.241 174.561 0.680 17811 8625 1 9 . 1 1 107 107 LYS CA C 107 56.419 56.419 54.205 2.214 17811 8626 1 9 . 1 1 107 107 LYS CB C 107 38.913 38.913 35.796 3.117 17811 8627 1 9 . 1 1 108 108 LEU N N 108 125.733 125.733 121.364 4.369 17811 8628 1 9 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.856 -0.193 17811 8629 1 9 . 1 1 108 108 LEU C C 108 176.152 176.152 176.908 -0.756 17811 8630 1 9 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.383 -0.058 17811 8631 1 9 . 1 1 108 108 LEU CB C 108 42.374 42.374 42.022 0.352 17811 8632 1 9 . 1 1 108 108 LEU H H 108 8.488 8.488 8.479 0.009 17811 8633 1 9 . 1 1 109 109 GLY N N 109 113.088 113.088 111.570 1.518 17811 8634 1 9 . 1 1 109 109 GLY C C 109 171.829 171.829 173.004 -1.175 17811 8635 1 9 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.064 -0.603 17811 8636 1 9 . 1 1 109 109 GLY H H 109 7.427 7.427 7.888 -0.461 17811 8637 1 9 . 1 1 110 110 GLY N N 110 102.747 102.747 107.130 -4.383 17811 8638 1 9 . 1 1 110 110 GLY C C 110 174.538 174.538 174.537 0.001 17811 8639 1 9 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.316 -0.267 17811 8640 1 9 . 1 1 110 110 GLY H H 110 7.685 7.685 8.262 -0.577 17811 8641 1 9 . 1 1 111 111 GLY N N 111 117.376 117.376 106.425 10.951 17811 8642 1 9 . 1 1 111 111 GLY C C 111 172.020 172.020 173.794 -1.774 17811 8643 1 9 . 1 1 111 111 GLY CA C 111 43.845 43.845 44.913 -1.068 17811 8644 1 9 . 1 1 111 111 GLY H H 111 8.252 8.252 8.137 0.115 17811 8645 1 9 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.459 -0.265 17811 8646 1 9 . 1 1 112 112 GLU C C 112 177.997 177.997 177.348 0.649 17811 8647 1 9 . 1 1 112 112 GLU CA C 112 57.202 57.202 56.855 0.347 17811 8648 1 9 . 1 1 112 112 GLU CB C 112 29.489 29.489 30.967 -1.478 17811 8649 1 9 . 1 1 113 113 GLY N N 113 110.029 110.029 107.241 2.788 17811 8650 1 9 . 1 1 113 113 GLY C C 113 175.583 175.583 174.075 1.508 17811 8651 1 9 . 1 1 113 113 GLY CA C 113 46.996 46.996 44.741 2.255 17811 8652 1 9 . 1 1 113 113 GLY H H 113 8.638 8.638 8.039 0.599 17811 8653 1 9 . 1 1 114 114 GLY N N 114 107.830 107.830 108.844 -1.014 17811 8654 1 9 . 1 1 114 114 GLY C C 114 173.838 173.838 173.015 0.823 17811 8655 1 9 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.870 0.482 17811 8656 1 9 . 1 1 114 114 GLY H H 114 8.579 8.579 7.922 0.657 17811 8657 1 9 . 1 1 115 115 HIS N N 115 122.890 122.890 122.021 0.869 17811 8658 1 9 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.780 -0.077 17811 8659 1 9 . 1 1 115 115 HIS C C 115 176.520 176.520 174.717 1.803 17811 8660 1 9 . 1 1 115 115 HIS CA C 115 57.956 57.956 54.788 3.168 17811 8661 1 9 . 1 1 115 115 HIS CB C 115 32.405 32.405 33.060 -0.656 17811 8662 1 9 . 1 1 115 115 HIS H H 115 7.830 7.830 7.865 -0.035 17811 8663 1 9 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.566 -0.270 17811 8664 1 9 . 1 1 116 116 ASN C C 116 178.246 178.246 176.832 1.414 17811 8665 1 9 . 1 1 116 116 ASN CA C 116 56.380 56.380 55.048 1.332 17811 8666 1 9 . 1 1 116 116 ASN CB C 116 36.721 36.721 38.701 -1.980 17811 8667 1 9 . 1 1 117 117 GLY N N 117 113.570 113.570 106.215 7.355 17811 8668 1 9 . 1 1 117 117 GLY C C 117 175.114 175.114 175.628 -0.514 17811 8669 1 9 . 1 1 117 117 GLY CA C 117 47.407 47.407 45.754 1.653 17811 8670 1 9 . 1 1 117 117 GLY H H 117 9.245 9.245 7.945 1.300 17811 8671 1 9 . 1 1 118 118 LEU N N 118 123.746 123.746 121.691 2.055 17811 8672 1 9 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.035 -0.199 17811 8673 1 9 . 1 1 118 118 LEU C C 118 179.150 179.150 178.583 0.567 17811 8674 1 9 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.938 1.155 17811 8675 1 9 . 1 1 118 118 LEU CB C 118 42.338 42.338 42.007 0.331 17811 8676 1 9 . 1 1 118 118 LEU H H 118 8.133 8.133 7.388 0.745 17811 8677 1 9 . 1 1 119 119 ARG N N 119 117.495 117.495 118.623 -1.128 17811 8678 1 9 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.175 -0.114 17811 8679 1 9 . 1 1 119 119 ARG C C 119 178.400 178.400 179.022 -0.622 17811 8680 1 9 . 1 1 119 119 ARG CA C 119 59.737 59.737 57.512 2.225 17811 8681 1 9 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.426 1.062 17811 8682 1 9 . 1 1 119 119 ARG H H 119 8.234 8.234 7.675 0.559 17811 8683 1 9 . 1 1 120 120 SER N N 120 112.769 112.769 115.968 -3.199 17811 8684 1 9 . 1 1 120 120 SER HA H 120 4.218 4.218 4.250 -0.032 17811 8685 1 9 . 1 1 120 120 SER C C 120 178.568 178.568 176.516 2.052 17811 8686 1 9 . 1 1 120 120 SER CA C 120 60.901 60.901 61.707 -0.806 17811 8687 1 9 . 1 1 120 120 SER CB C 120 63.367 63.367 63.038 0.328 17811 8688 1 9 . 1 1 120 120 SER H H 120 7.283 7.283 7.662 -0.379 17811 8689 1 9 . 1 1 121 121 VAL N N 121 120.291 120.291 121.034 -0.743 17811 8690 1 9 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.896 -0.637 17811 8691 1 9 . 1 1 121 121 VAL C C 121 176.485 176.485 176.821 -0.336 17811 8692 1 9 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.225 2.869 17811 8693 1 9 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.961 -0.377 17811 8694 1 9 . 1 1 121 121 VAL H H 121 8.263 8.263 7.523 0.740 17811 8695 1 9 . 1 1 122 122 ALA N N 122 120.702 120.702 122.635 -1.933 17811 8696 1 9 . 1 1 122 122 ALA HA H 122 4.485 4.485 3.934 0.551 17811 8697 1 9 . 1 1 122 122 ALA C C 122 181.178 181.178 179.597 1.581 17811 8698 1 9 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.138 0.146 17811 8699 1 9 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.440 0.129 17811 8700 1 9 . 1 1 122 122 ALA H H 122 8.708 8.708 7.938 0.770 17811 8701 1 9 . 1 1 123 123 SER N N 123 113.198 113.198 112.767 0.431 17811 8702 1 9 . 1 1 123 123 SER HA H 123 4.049 4.049 4.178 -0.129 17811 8703 1 9 . 1 1 123 123 SER C C 123 176.672 176.672 175.783 0.889 17811 8704 1 9 . 1 1 123 123 SER CA C 123 61.312 61.312 60.552 0.760 17811 8705 1 9 . 1 1 123 123 SER CB C 123 62.888 62.888 63.245 -0.357 17811 8706 1 9 . 1 1 123 123 SER H H 123 8.137 8.137 8.061 0.076 17811 8707 1 9 . 1 1 124 124 ALA N N 124 122.798 122.798 123.394 -0.596 17811 8708 1 9 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.244 -0.108 17811 8709 1 9 . 1 1 124 124 ALA C C 124 180.052 180.052 178.815 1.237 17811 8710 1 9 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.353 0.315 17811 8711 1 9 . 1 1 124 124 ALA CB C 124 19.870 19.870 19.127 0.744 17811 8712 1 9 . 1 1 124 124 ALA H H 124 7.692 7.692 7.382 0.310 17811 8713 1 9 . 1 1 125 125 LEU N N 125 114.359 114.359 111.864 2.495 17811 8714 1 9 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.707 -0.516 17811 8715 1 9 . 1 1 125 125 LEU C C 125 178.024 178.024 177.720 0.304 17811 8716 1 9 . 1 1 125 125 LEU CA C 125 55.490 55.490 54.192 1.298 17811 8717 1 9 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.917 0.037 17811 8718 1 9 . 1 1 125 125 LEU H H 125 8.219 8.219 7.403 0.816 17811 8719 1 9 . 1 1 126 126 GLY N N 126 106.746 106.746 108.273 -1.527 17811 8720 1 9 . 1 1 126 126 GLY C C 126 173.124 173.124 174.491 -1.367 17811 8721 1 9 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.522 0.035 17811 8722 1 9 . 1 1 126 126 GLY H H 126 7.910 7.910 7.988 -0.078 17811 8723 1 9 . 1 1 127 127 THR N N 127 112.372 112.372 114.614 -2.242 17811 8724 1 9 . 1 1 127 127 THR HA H 127 4.586 4.586 4.503 0.083 17811 8725 1 9 . 1 1 127 127 THR C C 127 170.252 170.252 173.646 -3.394 17811 8726 1 9 . 1 1 127 127 THR CA C 127 59.463 59.463 61.116 -1.653 17811 8727 1 9 . 1 1 127 127 THR CB C 127 67.751 67.751 70.300 -2.549 17811 8728 1 9 . 1 1 127 127 THR H H 127 7.611 7.611 7.677 -0.066 17811 8729 1 9 . 1 1 128 128 LYS N N 128 120.933 120.933 120.577 0.356 17811 8730 1 9 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.390 -0.076 17811 8731 1 9 . 1 1 128 128 LYS C C 128 178.400 178.400 175.051 3.349 17811 8732 1 9 . 1 1 128 128 LYS CA C 128 56.038 56.038 54.223 1.815 17811 8733 1 9 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.353 0.395 17811 8734 1 9 . 1 1 128 128 LYS H H 128 8.075 8.075 8.167 -0.092 17811 8735 1 9 . 1 1 129 129 ASN N N 129 124.675 124.675 116.819 7.856 17811 8736 1 9 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.342 -0.038 17811 8737 1 9 . 1 1 129 129 ASN C C 129 171.284 171.284 174.905 -3.621 17811 8738 1 9 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.921 0.199 17811 8739 1 9 . 1 1 129 129 ASN CB C 129 37.063 37.063 36.569 0.494 17811 8740 1 9 . 1 1 129 129 ASN H H 129 8.736 8.736 7.489 1.247 17811 8741 1 9 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.711 0.380 17811 8742 1 9 . 1 1 131 131 HIS C C 131 175.397 175.397 173.409 1.988 17811 8743 1 9 . 1 1 131 131 HIS CA C 131 60.148 60.148 55.149 4.999 17811 8744 1 9 . 1 1 131 131 HIS CB C 131 30.967 30.967 29.148 1.819 17811 8745 1 9 . 1 1 132 132 ARG N N 132 119.440 119.440 127.596 -8.156 17811 8746 1 9 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.908 1.041 17811 8747 1 9 . 1 1 132 132 ARG C C 132 174.945 174.945 175.022 -0.077 17811 8748 1 9 . 1 1 132 132 ARG CA C 132 55.558 55.558 54.997 0.561 17811 8749 1 9 . 1 1 132 132 ARG CB C 132 32.679 32.679 31.516 1.163 17811 8750 1 9 . 1 1 132 132 ARG H H 132 9.525 9.525 7.682 1.843 17811 8751 1 9 . 1 1 133 133 VAL N N 133 124.107 124.107 127.566 -3.459 17811 8752 1 9 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.030 0.077 17811 8753 1 9 . 1 1 133 133 VAL C C 133 172.805 172.805 174.903 -2.098 17811 8754 1 9 . 1 1 133 133 VAL CA C 133 62.477 62.477 62.888 -0.411 17811 8755 1 9 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.344 0.061 17811 8756 1 9 . 1 1 133 133 VAL H H 133 8.669 8.669 8.935 -0.266 17811 8757 1 9 . 1 1 134 134 ARG N N 134 123.782 123.782 128.092 -4.310 17811 8758 1 9 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.632 -1.008 17811 8759 1 9 . 1 1 134 134 ARG C C 134 174.964 174.964 175.146 -0.182 17811 8760 1 9 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.778 -0.864 17811 8761 1 9 . 1 1 134 134 ARG CB C 134 32.063 32.063 30.381 1.682 17811 8762 1 9 . 1 1 134 134 ARG H H 134 8.822 8.822 8.003 0.819 17811 8763 1 9 . 1 1 135 135 ILE N N 135 122.618 122.618 125.076 -2.458 17811 8764 1 9 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.270 0.030 17811 8765 1 9 . 1 1 135 135 ILE C C 135 175.809 175.809 175.104 0.705 17811 8766 1 9 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.076 0.551 17811 8767 1 9 . 1 1 135 135 ILE CB C 135 38.433 38.433 40.000 -1.567 17811 8768 1 9 . 1 1 135 135 ILE H H 135 8.532 8.532 7.683 0.849 17811 8769 1 9 . 1 1 136 136 GLY N N 136 116.268 116.268 114.209 2.059 17811 8770 1 9 . 1 1 136 136 GLY C C 136 175.302 175.302 174.405 0.897 17811 8771 1 9 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.156 3.278 17811 8772 1 9 . 1 1 136 136 GLY H H 136 9.240 9.240 8.647 0.593 17811 8773 1 9 . 1 1 137 137 VAL N N 137 111.669 111.669 120.180 -8.511 17811 8774 1 9 . 1 1 137 137 VAL HA H 137 5.195 5.195 3.314 1.881 17811 8775 1 9 . 1 1 137 137 VAL C C 137 176.691 176.691 175.776 0.915 17811 8776 1 9 . 1 1 137 137 VAL CA C 137 60.216 60.216 60.278 -0.062 17811 8777 1 9 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.251 1.593 17811 8778 1 9 . 1 1 137 137 VAL H H 137 8.370 8.370 8.215 0.155 17811 8779 1 9 . 1 1 138 138 GLY N N 138 111.577 111.577 110.200 1.377 17811 8780 1 9 . 1 1 138 138 GLY C C 138 169.895 169.895 172.653 -2.758 17811 8781 1 9 . 1 1 138 138 GLY CA C 138 45.489 45.489 45.312 0.176 17811 8782 1 9 . 1 1 138 138 GLY H H 138 8.524 8.524 8.098 0.426 17811 8783 1 9 . 1 1 139 139 ARG N N 139 112.983 112.983 119.474 -6.491 17811 8784 1 9 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.687 -0.302 17811 8785 1 9 . 1 1 139 139 ARG C C 139 175.133 175.133 173.692 1.441 17811 8786 1 9 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.249 -0.088 17811 8787 1 9 . 1 1 139 139 ARG CB C 139 29.666 29.666 31.228 -1.562 17811 8788 1 9 . 1 1 139 139 ARG H H 139 7.603 7.603 8.114 -0.511 17811 8789 1 9 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.352 0.281 17811 8790 1 9 . 1 1 141 141 PRO C C 141 176.503 176.503 176.629 -0.126 17811 8791 1 9 . 1 1 141 141 PRO CA C 141 62.956 62.956 63.015 -0.059 17811 8792 1 9 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.295 0.658 17811 8793 1 9 . 1 1 142 142 GLY N N 142 107.144 107.144 110.507 -3.363 17811 8794 1 9 . 1 1 142 142 GLY C C 142 175.076 175.076 173.941 1.135 17811 8795 1 9 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.518 -0.988 17811 8796 1 9 . 1 1 142 142 GLY H H 142 8.228 8.228 7.873 0.355 17811 8797 1 9 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.473 -0.208 17811 8798 1 9 . 1 1 143 143 ARG C C 143 175.848 175.848 175.361 0.487 17811 8799 1 9 . 1 1 143 143 ARG CA C 143 55.421 55.421 55.814 -0.393 17811 8800 1 9 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.450 -1.332 17811 8801 1 9 . 1 1 144 144 LYS N N 144 121.850 121.850 119.894 1.956 17811 8802 1 9 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.504 -0.445 17811 8803 1 9 . 1 1 144 144 LYS C C 144 175.152 175.152 175.647 -0.495 17811 8804 1 9 . 1 1 144 144 LYS CA C 144 56.312 56.312 54.779 1.533 17811 8805 1 9 . 1 1 144 144 LYS CB C 144 32.611 32.611 34.003 -1.392 17811 8806 1 9 . 1 1 144 144 LYS H H 144 7.542 7.542 7.630 -0.088 17811 8807 1 9 . 1 1 145 145 ASP N N 145 126.413 126.413 125.564 0.849 17811 8808 1 9 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.643 0.060 17811 8809 1 9 . 1 1 145 145 ASP C C 145 176.208 176.208 176.133 0.075 17811 8810 1 9 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.925 -0.586 17811 8811 1 9 . 1 1 145 145 ASP CB C 145 42.406 42.406 40.518 1.888 17811 8812 1 9 . 1 1 145 145 ASP H H 145 8.507 8.507 8.625 -0.118 17811 8813 1 9 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.824 -0.151 17811 8814 1 9 . 1 1 146 146 PRO C C 146 177.555 177.555 177.119 0.436 17811 8815 1 9 . 1 1 146 146 PRO CA C 146 65.628 65.628 64.098 1.530 17811 8816 1 9 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.339 1.203 17811 8817 1 9 . 1 1 147 147 ALA N N 147 119.068 119.068 121.856 -2.788 17811 8818 1 9 . 1 1 147 147 ALA HA H 147 3.996 3.996 4.115 -0.119 17811 8819 1 9 . 1 1 147 147 ALA C C 147 179.236 179.236 179.097 0.139 17811 8820 1 9 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.867 -0.268 17811 8821 1 9 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.005 0.358 17811 8822 1 9 . 1 1 147 147 ALA H H 147 8.161 8.161 7.722 0.439 17811 8823 1 9 . 1 1 148 148 ALA N N 148 118.488 118.488 119.358 -0.870 17811 8824 1 9 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.118 0.049 17811 8825 1 9 . 1 1 148 148 ALA C C 148 180.397 180.397 179.214 1.183 17811 8826 1 9 . 1 1 148 148 ALA CA C 148 54.188 54.188 54.464 -0.276 17811 8827 1 9 . 1 1 148 148 ALA CB C 148 18.774 18.774 18.492 0.282 17811 8828 1 9 . 1 1 148 148 ALA H H 148 7.210 7.210 7.498 -0.288 17811 8829 1 9 . 1 1 149 149 PHE N N 149 118.247 118.247 116.973 1.274 17811 8830 1 9 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.397 -0.259 17811 8831 1 9 . 1 1 149 149 PHE C C 149 178.080 178.080 178.009 0.071 17811 8832 1 9 . 1 1 149 149 PHE CA C 149 60.353 60.353 61.199 -0.846 17811 8833 1 9 . 1 1 149 149 PHE CB C 149 40.831 40.831 38.843 1.988 17811 8834 1 9 . 1 1 149 149 PHE H H 149 8.099 8.099 7.932 0.167 17811 8835 1 9 . 1 1 150 150 VAL N N 150 107.786 107.786 119.702 -11.916 17811 8836 1 9 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.970 -0.133 17811 8837 1 9 . 1 1 150 150 VAL C C 150 174.757 174.757 176.577 -1.820 17811 8838 1 9 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.288 -0.441 17811 8839 1 9 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.793 -1.031 17811 8840 1 9 . 1 1 150 150 VAL H H 150 7.587 7.587 8.570 -0.983 17811 8841 1 9 . 1 1 151 151 LEU N N 151 118.783 118.783 118.773 0.010 17811 8842 1 9 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.690 -0.215 17811 8843 1 9 . 1 1 151 151 LEU C C 151 174.926 174.926 176.241 -1.315 17811 8844 1 9 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.985 -2.276 17811 8845 1 9 . 1 1 151 151 LEU CB C 151 41.036 41.036 43.374 -2.338 17811 8846 1 9 . 1 1 151 151 LEU H H 151 6.914 6.914 7.410 -0.496 17811 8847 1 9 . 1 1 152 152 GLU N N 152 118.356 118.356 114.617 3.739 17811 8848 1 9 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.591 -0.266 17811 8849 1 9 . 1 1 152 152 GLU C C 152 175.752 175.752 174.402 1.350 17811 8850 1 9 . 1 1 152 152 GLU CA C 152 54.599 54.599 56.052 -1.453 17811 8851 1 9 . 1 1 152 152 GLU CB C 152 31.995 31.995 30.570 1.425 17811 8852 1 9 . 1 1 152 152 GLU H H 152 6.823 6.823 7.560 -0.737 17811 8853 1 9 . 1 1 153 153 ASN N N 153 116.805 116.805 122.740 -5.935 17811 8854 1 9 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.689 -0.086 17811 8855 1 9 . 1 1 153 153 ASN C C 153 175.734 175.734 173.405 2.329 17811 8856 1 9 . 1 1 153 153 ASN CA C 153 52.750 52.750 53.359 -0.609 17811 8857 1 9 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.670 -1.826 17811 8858 1 9 . 1 1 153 153 ASN H H 153 8.064 8.064 8.446 -0.382 17811 8859 1 9 . 1 1 154 154 PHE N N 154 116.744 116.744 120.387 -3.643 17811 8860 1 9 . 1 1 154 154 PHE HA H 154 4.325 4.325 5.549 -1.224 17811 8861 1 9 . 1 1 154 154 PHE C C 154 177.142 177.142 174.122 3.020 17811 8862 1 9 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.254 3.894 17811 8863 1 9 . 1 1 154 154 PHE CB C 154 38.776 38.776 41.192 -2.416 17811 8864 1 9 . 1 1 154 154 PHE H H 154 7.410 7.410 7.788 -0.378 17811 8865 1 9 . 1 1 155 155 THR N N 155 113.714 113.714 116.841 -3.127 17811 8866 1 9 . 1 1 155 155 THR HA H 155 4.691 4.691 4.548 0.143 17811 8867 1 9 . 1 1 155 155 THR C C 155 174.870 174.870 174.482 0.388 17811 8868 1 9 . 1 1 155 155 THR CA C 155 61.648 61.648 60.173 1.474 17811 8869 1 9 . 1 1 155 155 THR CB C 155 70.697 70.697 70.299 0.398 17811 8870 1 9 . 1 1 155 155 THR H H 155 9.356 9.356 8.886 0.470 17811 8871 1 9 . 1 1 156 156 ALA N N 156 122.937 122.937 122.207 0.730 17811 8872 1 9 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.420 -0.081 17811 8873 1 9 . 1 1 156 156 ALA C C 156 180.132 180.132 179.280 0.852 17811 8874 1 9 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.150 1.956 17811 8875 1 9 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.417 -0.465 17811 8876 1 9 . 1 1 156 156 ALA H H 156 8.931 8.931 8.473 0.458 17811 8877 1 9 . 1 1 157 157 ALA N N 157 118.892 118.892 121.966 -3.074 17811 8878 1 9 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.211 -0.044 17811 8879 1 9 . 1 1 157 157 ALA C C 157 181.009 181.009 178.983 2.026 17811 8880 1 9 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.754 -0.086 17811 8881 1 9 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.393 0.107 17811 8882 1 9 . 1 1 157 157 ALA H H 157 8.248 8.248 8.249 -0.001 17811 8883 1 9 . 1 1 158 158 GLU N N 158 118.304 118.304 117.253 1.051 17811 8884 1 9 . 1 1 158 158 GLU HA H 158 3.778 3.778 4.125 -0.347 17811 8885 1 9 . 1 1 158 158 GLU C C 158 179.920 179.920 178.788 1.132 17811 8886 1 9 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.501 -0.203 17811 8887 1 9 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.539 2.223 17811 8888 1 9 . 1 1 158 158 GLU H H 158 7.486 7.486 8.671 -1.185 17811 8889 1 9 . 1 1 159 159 ARG N N 159 118.363 118.363 118.865 -0.502 17811 8890 1 9 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.007 -0.304 17811 8891 1 9 . 1 1 159 159 ARG C C 159 177.793 177.793 178.060 -0.267 17811 8892 1 9 . 1 1 159 159 ARG CA C 159 59.763 59.763 58.498 1.265 17811 8893 1 9 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.256 1.163 17811 8894 1 9 . 1 1 159 159 ARG H H 159 9.117 9.117 8.306 0.811 17811 8895 1 9 . 1 1 160 160 ALA N N 160 118.334 118.334 120.623 -2.289 17811 8896 1 9 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.242 -0.060 17811 8897 1 9 . 1 1 160 160 ALA C C 160 178.512 178.512 178.410 0.102 17811 8898 1 9 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.407 -0.082 17811 8899 1 9 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.549 0.225 17811 8900 1 9 . 1 1 160 160 ALA H H 160 7.227 7.227 7.475 -0.248 17811 8901 1 9 . 1 1 161 161 GLU N N 161 114.910 114.910 117.190 -2.280 17811 8902 1 9 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.300 0.243 17811 8903 1 9 . 1 1 161 161 GLU C C 161 177.085 177.085 178.506 -1.421 17811 8904 1 9 . 1 1 161 161 GLU CA C 161 56.243 56.243 57.175 -0.932 17811 8905 1 9 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.675 2.251 17811 8906 1 9 . 1 1 161 161 GLU H H 161 7.705 7.705 7.545 0.160 17811 8907 1 9 . 1 1 162 162 VAL N N 162 120.126 120.126 121.449 -1.323 17811 8908 1 9 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.647 0.506 17811 8909 1 9 . 1 1 162 162 VAL C C 162 173.208 173.208 174.880 -1.672 17811 8910 1 9 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.768 0.011 17811 8911 1 9 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.212 1.002 17811 8912 1 9 . 1 1 162 162 VAL H H 162 7.509 7.509 7.290 0.219 17811 8913 1 9 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.180 -0.022 17811 8914 1 9 . 1 1 163 163 PRO C C 163 179.146 179.146 178.526 0.620 17811 8915 1 9 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.330 0.394 17811 8916 1 9 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.131 -0.369 17811 8917 1 9 . 1 1 164 164 THR N N 164 113.503 113.503 115.020 -1.517 17811 8918 1 9 . 1 1 164 164 THR HA H 164 4.295 4.295 4.170 0.125 17811 8919 1 9 . 1 1 164 164 THR C C 164 175.696 175.696 176.391 -0.695 17811 8920 1 9 . 1 1 164 164 THR CA C 164 66.244 66.244 66.536 -0.292 17811 8921 1 9 . 1 1 164 164 THR CB C 164 68.710 68.710 68.655 0.055 17811 8922 1 9 . 1 1 164 164 THR H H 164 7.260 7.260 7.535 -0.275 17811 8923 1 9 . 1 1 165 165 ILE N N 165 124.266 124.266 122.839 1.427 17811 8924 1 9 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.592 0.133 17811 8925 1 9 . 1 1 165 165 ILE C C 165 177.949 177.949 177.458 0.491 17811 8926 1 9 . 1 1 165 165 ILE CA C 165 65.148 65.148 64.781 0.367 17811 8927 1 9 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.268 1.165 17811 8928 1 9 . 1 1 165 165 ILE H H 165 7.781 7.781 8.410 -0.629 17811 8929 1 9 . 1 1 166 166 VAL N N 166 117.723 117.723 119.539 -1.816 17811 8930 1 9 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.602 -0.091 17811 8931 1 9 . 1 1 166 166 VAL C C 166 178.062 178.062 178.609 -0.547 17811 8932 1 9 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.076 -0.284 17811 8933 1 9 . 1 1 166 166 VAL CB C 166 31.378 31.378 30.574 0.804 17811 8934 1 9 . 1 1 166 166 VAL H H 166 8.605 8.605 8.339 0.266 17811 8935 1 9 . 1 1 167 167 GLU N N 167 119.572 119.572 118.298 1.274 17811 8936 1 9 . 1 1 167 167 GLU HA H 167 3.843 3.843 4.155 -0.312 17811 8937 1 9 . 1 1 167 167 GLU C C 167 179.000 179.000 178.847 0.153 17811 8938 1 9 . 1 1 167 167 GLU CA C 167 59.805 59.805 58.809 0.996 17811 8939 1 9 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.119 0.067 17811 8940 1 9 . 1 1 167 167 GLU H H 167 7.408 7.408 7.702 -0.294 17811 8941 1 9 . 1 1 168 168 GLN N N 168 118.334 118.334 120.489 -2.155 17811 8942 1 9 . 1 1 168 168 GLN HA H 168 3.967 3.967 3.923 0.044 17811 8943 1 9 . 1 1 168 168 GLN C C 168 179.038 179.038 178.228 0.810 17811 8944 1 9 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.832 0.631 17811 8945 1 9 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.280 0.631 17811 8946 1 9 . 1 1 168 168 GLN H H 168 8.298 8.298 8.267 0.031 17811 8947 1 9 . 1 1 169 169 ALA N N 169 123.008 123.008 120.942 2.066 17811 8948 1 9 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.028 0.034 17811 8949 1 9 . 1 1 169 169 ALA C C 169 180.408 180.408 179.253 1.155 17811 8950 1 9 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.854 0.362 17811 8951 1 9 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.081 1.104 17811 8952 1 9 . 1 1 169 169 ALA H H 169 9.106 9.106 8.550 0.556 17811 8953 1 9 . 1 1 170 170 ALA N N 170 125.275 125.275 122.132 3.143 17811 8954 1 9 . 1 1 170 170 ALA HA H 170 3.930 3.930 4.113 -0.183 17811 8955 1 9 . 1 1 170 170 ALA C C 170 178.831 178.831 179.272 -0.441 17811 8956 1 9 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.688 1.282 17811 8957 1 9 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.569 -1.439 17811 8958 1 9 . 1 1 170 170 ALA H H 170 8.364 8.364 7.640 0.724 17811 8959 1 9 . 1 1 171 171 ASP N N 171 120.702 120.702 118.996 1.706 17811 8960 1 9 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.362 -0.109 17811 8961 1 9 . 1 1 171 171 ASP C C 171 179.507 179.507 178.244 1.263 17811 8962 1 9 . 1 1 171 171 ASP CA C 171 57.887 57.887 57.252 0.635 17811 8963 1 9 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.849 -1.114 17811 8964 1 9 . 1 1 171 171 ASP H H 171 8.656 8.656 8.466 0.190 17811 8965 1 9 . 1 1 172 172 ALA N N 172 122.759 122.759 121.784 0.975 17811 8966 1 9 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.050 -0.110 17811 8967 1 9 . 1 1 172 172 ALA C C 172 178.137 178.137 179.589 -1.452 17811 8968 1 9 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.517 -0.507 17811 8969 1 9 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.600 1.270 17811 8970 1 9 . 1 1 172 172 ALA H H 172 9.380 9.380 7.801 1.579 17811 8971 1 9 . 1 1 173 173 THR N N 173 115.154 115.154 112.688 2.466 17811 8972 1 9 . 1 1 173 173 THR HA H 173 4.430 4.430 3.954 0.476 17811 8973 1 9 . 1 1 173 173 THR C C 173 175.940 175.940 176.798 -0.858 17811 8974 1 9 . 1 1 173 173 THR CA C 173 68.162 68.162 65.880 2.282 17811 8975 1 9 . 1 1 173 173 THR CB C 173 68.162 68.162 68.197 -0.035 17811 8976 1 9 . 1 1 173 173 THR H H 173 7.811 7.811 8.118 -0.307 17811 8977 1 9 . 1 1 174 174 GLU N N 174 118.915 118.915 121.868 -2.953 17811 8978 1 9 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.005 -0.361 17811 8979 1 9 . 1 1 174 174 GLU C C 174 178.475 178.475 178.881 -0.406 17811 8980 1 9 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.523 1.858 17811 8981 1 9 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.327 0.887 17811 8982 1 9 . 1 1 174 174 GLU H H 174 7.832 7.832 8.469 -0.637 17811 8983 1 9 . 1 1 175 175 LEU N N 175 119.457 119.457 120.934 -1.477 17811 8984 1 9 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.174 -0.225 17811 8985 1 9 . 1 1 175 175 LEU C C 175 178.268 178.268 179.020 -0.752 17811 8986 1 9 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.395 0.835 17811 8987 1 9 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.937 0.538 17811 8988 1 9 . 1 1 175 175 LEU H H 175 8.144 8.144 7.715 0.428 17811 8989 1 9 . 1 1 176 176 LEU N N 176 120.413 120.413 121.191 -0.778 17811 8990 1 9 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.341 -0.750 17811 8991 1 9 . 1 1 176 176 LEU C C 176 177.799 177.799 179.067 -1.268 17811 8992 1 9 . 1 1 176 176 LEU CA C 176 58.093 58.093 57.925 0.168 17811 8993 1 9 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.458 0.263 17811 8994 1 9 . 1 1 176 176 LEU H H 176 7.970 7.970 7.799 0.171 17811 8995 1 9 . 1 1 177 177 ILE N N 177 115.277 115.277 116.448 -1.171 17811 8996 1 9 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.701 0.226 17811 8997 1 9 . 1 1 177 177 ILE C C 177 177.123 177.123 177.817 -0.694 17811 8998 1 9 . 1 1 177 177 ILE CA C 177 65.148 65.148 64.549 0.599 17811 8999 1 9 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.498 0.935 17811 9000 1 9 . 1 1 177 177 ILE H H 177 7.576 7.576 7.727 -0.151 17811 9001 1 9 . 1 1 178 178 ALA N N 178 118.887 118.887 122.126 -3.239 17811 9002 1 9 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.172 0.849 17811 9003 1 9 . 1 1 178 178 ALA C C 178 179.901 179.901 178.209 1.692 17811 9004 1 9 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.552 0.116 17811 9005 1 9 . 1 1 178 178 ALA CB C 178 20.624 20.624 18.940 1.684 17811 9006 1 9 . 1 1 178 178 ALA H H 178 8.237 8.237 8.122 0.115 17811 9007 1 9 . 1 1 179 179 GLN N N 179 112.225 112.225 117.859 -5.634 17811 9008 1 9 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.417 0.023 17811 9009 1 9 . 1 1 179 179 GLN C C 179 177.254 177.254 175.996 1.258 17811 9010 1 9 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.880 -0.253 17811 9011 1 9 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.677 -1.915 17811 9012 1 9 . 1 1 179 179 GLN H H 179 8.646 8.646 8.180 0.466 17811 9013 1 9 . 1 1 180 180 GLY N N 180 109.528 109.528 106.208 3.320 17811 9014 1 9 . 1 1 180 180 GLY C C 180 173.095 173.095 173.348 -0.253 17811 9015 1 9 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.326 -1.481 17811 9016 1 9 . 1 1 180 180 GLY H H 180 7.811 7.811 7.613 0.198 17811 9017 1 9 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.704 -0.992 17811 9018 1 9 . 1 1 181 181 LEU C C 181 177.257 177.257 177.588 -0.331 17811 9019 1 9 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.858 2.604 17811 9020 1 9 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.519 0.093 17811 9021 1 9 . 1 1 182 182 GLU N N 182 116.836 116.836 120.558 -3.722 17811 9022 1 9 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.216 0.011 17811 9023 1 9 . 1 1 182 182 GLU C C 182 176.406 176.406 176.206 0.200 17811 9024 1 9 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.723 1.000 17811 9025 1 9 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.389 -0.669 17811 9026 1 9 . 1 1 182 182 GLU H H 182 8.909 8.909 8.903 0.006 17811 9027 1 9 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.349 -0.112 17811 9028 1 9 . 1 1 183 183 PRO C C 183 179.992 179.992 177.755 2.237 17811 9029 1 9 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.405 -0.188 17811 9030 1 9 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.193 -0.020 17811 9031 1 9 . 1 1 184 184 ALA N N 184 118.151 118.151 122.121 -3.970 17811 9032 1 9 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.106 -0.271 17811 9033 1 9 . 1 1 184 184 ALA C C 184 179.526 179.526 179.442 0.084 17811 9034 1 9 . 1 1 184 184 ALA CA C 184 55.490 55.490 55.211 0.279 17811 9035 1 9 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.387 -0.229 17811 9036 1 9 . 1 1 184 184 ALA H H 184 7.350 7.350 7.877 -0.527 17811 9037 1 9 . 1 1 185 185 GLN N N 185 118.148 118.148 117.025 1.123 17811 9038 1 9 . 1 1 185 185 GLN HA H 185 3.006 3.006 3.994 -0.988 17811 9039 1 9 . 1 1 185 185 GLN C C 185 177.555 177.555 178.440 -0.885 17811 9040 1 9 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.754 0.229 17811 9041 1 9 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.334 0.441 17811 9042 1 9 . 1 1 185 185 GLN H H 185 8.848 8.848 8.574 0.274 17811 9043 1 9 . 1 1 186 186 ASN N N 186 115.032 115.032 118.194 -3.162 17811 9044 1 9 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.686 -0.525 17811 9045 1 9 . 1 1 186 186 ASN C C 186 177.160 177.160 176.857 0.303 17811 9046 1 9 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.524 0.514 17811 9047 1 9 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.332 -0.104 17811 9048 1 9 . 1 1 186 186 ASN H H 186 7.537 7.537 8.045 -0.508 17811 9049 1 9 . 1 1 187 187 THR N N 187 114.421 114.421 115.601 -1.180 17811 9050 1 9 . 1 1 187 187 THR HA H 187 3.864 3.864 4.308 -0.444 17811 9051 1 9 . 1 1 187 187 THR C C 187 174.739 174.739 176.948 -2.209 17811 9052 1 9 . 1 1 187 187 THR CA C 187 65.422 65.422 65.667 -0.245 17811 9053 1 9 . 1 1 187 187 THR CB C 187 69.532 69.532 69.718 -0.186 17811 9054 1 9 . 1 1 187 187 THR H H 187 7.120 7.120 7.678 -0.558 17811 9055 1 9 . 1 1 188 188 VAL N N 188 119.580 119.580 118.402 1.178 17811 9056 1 9 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.245 0.140 17811 9057 1 9 . 1 1 188 188 VAL C C 188 178.043 178.043 176.880 1.163 17811 9058 1 9 . 1 1 188 188 VAL CA C 188 64.326 64.326 65.491 -1.165 17811 9059 1 9 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.776 0.083 17811 9060 1 9 . 1 1 188 188 VAL H H 188 8.333 8.333 8.429 -0.096 17811 9061 1 9 . 1 1 189 189 HIS N N 189 115.949 115.949 119.683 -3.734 17811 9062 1 9 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.789 -0.119 17811 9063 1 9 . 1 1 189 189 HIS C C 189 175.114 175.114 174.575 0.539 17811 9064 1 9 . 1 1 189 189 HIS CA C 189 56.312 56.312 54.237 2.075 17811 9065 1 9 . 1 1 189 189 HIS CB C 189 27.474 27.474 29.237 -1.763 17811 9066 1 9 . 1 1 189 189 HIS H H 189 8.674 8.674 7.897 0.777 17811 9067 1 9 . 1 1 190 190 ALA N N 190 120.346 120.346 120.560 -0.214 17811 9068 1 9 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.363 0.221 17811 9069 1 9 . 1 1 190 190 ALA C C 190 177.906 177.906 176.160 1.746 17811 9070 1 9 . 1 1 190 190 ALA CA C 190 51.791 51.791 51.594 0.197 17811 9071 1 9 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.022 0.643 17811 9072 1 9 . 1 1 190 190 ALA H H 190 6.983 6.983 7.787 -0.804 17811 9073 1 10 . 1 1 2 2 ALA N N 2 125.183 125.183 126.685 -1.502 17811 9074 1 10 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.763 -0.586 17811 9075 1 10 . 1 1 2 2 ALA C C 2 174.029 174.029 176.702 -2.673 17811 9076 1 10 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.845 0.014 17811 9077 1 10 . 1 1 2 2 ALA CB C 2 19.596 19.596 19.845 -0.249 17811 9078 1 10 . 1 1 2 2 ALA H H 2 8.096 8.096 8.222 -0.126 17811 9079 1 10 . 1 1 3 3 GLU N N 3 113.075 113.075 121.944 -8.869 17811 9080 1 10 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.677 -0.478 17811 9081 1 10 . 1 1 3 3 GLU C C 3 175.812 175.812 173.796 2.016 17811 9082 1 10 . 1 1 3 3 GLU CA C 3 53.503 53.503 52.765 0.738 17811 9083 1 10 . 1 1 3 3 GLU CB C 3 31.584 31.584 29.987 1.597 17811 9084 1 10 . 1 1 3 3 GLU H H 3 7.483 7.483 8.160 -0.677 17811 9085 1 10 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.832 -0.057 17811 9086 1 10 . 1 1 4 4 PRO C C 4 174.213 174.213 175.746 -1.533 17811 9087 1 10 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.821 -0.550 17811 9088 1 10 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.837 2.692 17811 9089 1 10 . 1 1 5 5 LEU N N 5 120.181 120.181 123.123 -2.942 17811 9090 1 10 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.449 -0.149 17811 9091 1 10 . 1 1 5 5 LEU C C 5 174.926 174.926 175.797 -0.871 17811 9092 1 10 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.374 0.814 17811 9093 1 10 . 1 1 5 5 LEU CB C 5 45.694 45.694 44.076 1.618 17811 9094 1 10 . 1 1 5 5 LEU H H 5 7.953 7.953 7.929 0.024 17811 9095 1 10 . 1 1 6 6 LEU N N 6 124.663 124.663 123.408 1.255 17811 9096 1 10 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.996 0.291 17811 9097 1 10 . 1 1 6 6 LEU C C 6 173.293 173.293 175.069 -1.776 17811 9098 1 10 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.714 -0.827 17811 9099 1 10 . 1 1 6 6 LEU CB C 6 45.694 45.694 43.810 1.884 17811 9100 1 10 . 1 1 6 6 LEU H H 6 8.456 8.456 8.513 -0.057 17811 9101 1 10 . 1 1 7 7 VAL N N 7 128.364 128.364 127.754 0.610 17811 9102 1 10 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.855 0.144 17811 9103 1 10 . 1 1 7 7 VAL C C 7 174.006 174.006 174.424 -0.418 17811 9104 1 10 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.014 -0.660 17811 9105 1 10 . 1 1 7 7 VAL CB C 7 32.698 32.698 33.400 -0.702 17811 9106 1 10 . 1 1 7 7 VAL H H 7 9.456 9.456 9.170 0.286 17811 9107 1 10 . 1 1 8 8 VAL N N 8 126.000 126.000 127.134 -1.134 17811 9108 1 10 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.495 0.559 17811 9109 1 10 . 1 1 8 8 VAL C C 8 175.433 175.433 174.985 0.448 17811 9110 1 10 . 1 1 8 8 VAL CA C 8 59.737 59.737 60.503 -0.766 17811 9111 1 10 . 1 1 8 8 VAL CB C 8 35.556 35.556 34.522 1.034 17811 9112 1 10 . 1 1 8 8 VAL H H 8 9.571 9.571 9.090 0.481 17811 9113 1 10 . 1 1 9 9 GLY N N 9 112.757 112.757 110.921 1.836 17811 9114 1 10 . 1 1 9 9 GLY C C 9 171.378 171.378 173.104 -1.726 17811 9115 1 10 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.038 1.766 17811 9116 1 10 . 1 1 9 9 GLY H H 9 8.692 8.692 7.861 0.831 17811 9117 1 10 . 1 1 10 10 LEU N N 10 119.466 119.466 122.284 -2.818 17811 9118 1 10 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.162 0.571 17811 9119 1 10 . 1 1 10 10 LEU C C 10 175.715 175.715 177.249 -1.534 17811 9120 1 10 . 1 1 10 10 LEU CA C 10 54.188 54.188 55.292 -1.104 17811 9121 1 10 . 1 1 10 10 LEU CB C 10 42.543 42.543 41.212 1.331 17811 9122 1 10 . 1 1 10 10 LEU H H 10 7.147 7.147 8.268 -1.121 17811 9123 1 10 . 1 1 11 11 GLY N N 11 109.192 109.192 111.507 -2.315 17811 9124 1 10 . 1 1 11 11 GLY C C 11 170.233 170.233 172.964 -2.731 17811 9125 1 10 . 1 1 11 11 GLY CA C 11 44.393 44.393 43.603 0.790 17811 9126 1 10 . 1 1 11 11 GLY H H 11 7.281 7.281 8.409 -1.128 17811 9127 1 10 . 1 1 12 12 ASN N N 12 115.701 115.701 115.679 0.022 17811 9128 1 10 . 1 1 12 12 ASN HA H 12 4.762 4.762 4.791 -0.029 17811 9129 1 10 . 1 1 12 12 ASN C C 12 173.746 173.746 174.718 -0.972 17811 9130 1 10 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.359 -0.418 17811 9131 1 10 . 1 1 12 12 ASN CB C 12 41.516 41.516 38.684 2.832 17811 9132 1 10 . 1 1 12 12 ASN H H 12 8.946 8.946 7.489 1.457 17811 9133 1 10 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.773 -0.358 17811 9134 1 10 . 1 1 13 13 PRO C C 13 177.498 177.498 176.342 1.156 17811 9135 1 10 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.439 -0.185 17811 9136 1 10 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.458 -0.532 17811 9137 1 10 . 1 1 14 14 GLY N N 14 108.978 108.978 106.781 2.197 17811 9138 1 10 . 1 1 14 14 GLY C C 14 174.878 174.878 172.676 2.202 17811 9139 1 10 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.725 2.408 17811 9140 1 10 . 1 1 14 14 GLY H H 14 8.464 8.464 7.362 1.102 17811 9141 1 10 . 1 1 16 16 THR HA H 16 4.265 4.265 4.032 0.233 17811 9142 1 10 . 1 1 16 16 THR C C 16 175.848 175.848 176.367 -0.519 17811 9143 1 10 . 1 1 16 16 THR CA C 16 65.148 65.148 65.633 -0.485 17811 9144 1 10 . 1 1 16 16 THR CB C 16 68.505 68.505 68.507 -0.002 17811 9145 1 10 . 1 1 17 17 TYR N N 17 117.133 117.133 118.576 -1.443 17811 9146 1 10 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.598 0.058 17811 9147 1 10 . 1 1 17 17 TYR C C 17 177.649 177.649 176.943 0.706 17811 9148 1 10 . 1 1 17 17 TYR CA C 17 58.367 58.367 58.781 -0.414 17811 9149 1 10 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.531 1.793 17811 9150 1 10 . 1 1 17 17 TYR H H 17 7.025 7.025 8.201 -1.176 17811 9151 1 10 . 1 1 18 18 ALA N N 18 122.126 122.126 120.848 1.278 17811 9152 1 10 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.370 -0.016 17811 9153 1 10 . 1 1 18 18 ALA C C 18 178.212 178.212 177.971 0.241 17811 9154 1 10 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.454 2.173 17811 9155 1 10 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.413 1.526 17811 9156 1 10 . 1 1 18 18 ALA H H 18 7.100 7.100 7.411 -0.311 17811 9157 1 10 . 1 1 19 19 LYS N N 19 115.311 115.311 116.938 -1.627 17811 9158 1 10 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.488 0.195 17811 9159 1 10 . 1 1 19 19 LYS C C 19 175.640 175.640 176.371 -0.731 17811 9160 1 10 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.513 -0.571 17811 9161 1 10 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.009 0.054 17811 9162 1 10 . 1 1 19 19 LYS H H 19 8.648 8.648 7.619 1.029 17811 9163 1 10 . 1 1 20 20 THR N N 20 108.478 108.478 111.996 -3.518 17811 9164 1 10 . 1 1 20 20 THR HA H 20 4.392 4.392 4.709 -0.317 17811 9165 1 10 . 1 1 20 20 THR C C 20 175.752 175.752 175.489 0.263 17811 9166 1 10 . 1 1 20 20 THR CA C 20 60.970 60.970 60.448 0.522 17811 9167 1 10 . 1 1 20 20 THR CB C 20 72.932 72.932 71.849 1.083 17811 9168 1 10 . 1 1 20 20 THR H H 20 7.349 7.349 7.707 -0.358 17811 9169 1 10 . 1 1 21 21 ARG N N 21 117.638 117.638 123.303 -5.665 17811 9170 1 10 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.358 -0.652 17811 9171 1 10 . 1 1 21 21 ARG C C 21 177.480 177.480 176.563 0.917 17811 9172 1 10 . 1 1 21 21 ARG CA C 21 60.083 60.083 57.584 2.499 17811 9173 1 10 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.642 0.315 17811 9174 1 10 . 1 1 21 21 ARG H H 21 7.011 7.011 9.288 -2.277 17811 9175 1 10 . 1 1 22 22 HIS N N 22 115.074 115.074 118.238 -3.164 17811 9176 1 10 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.828 -0.967 17811 9177 1 10 . 1 1 22 22 HIS C C 22 173.274 173.274 174.755 -1.481 17811 9178 1 10 . 1 1 22 22 HIS CA C 22 53.434 53.434 58.541 -5.107 17811 9179 1 10 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.998 -0.539 17811 9180 1 10 . 1 1 22 22 HIS H H 22 8.162 8.162 8.667 -0.505 17811 9181 1 10 . 1 1 23 23 ASN N N 23 116.439 116.439 116.510 -0.071 17811 9182 1 10 . 1 1 23 23 ASN HA H 23 4.785 4.785 5.105 -0.320 17811 9183 1 10 . 1 1 23 23 ASN C C 23 177.104 177.104 175.863 1.241 17811 9184 1 10 . 1 1 23 23 ASN CA C 23 53.024 53.024 52.362 0.662 17811 9185 1 10 . 1 1 23 23 ASN CB C 23 38.776 38.776 38.401 0.375 17811 9186 1 10 . 1 1 23 23 ASN H H 23 7.730 7.730 7.757 -0.027 17811 9187 1 10 . 1 1 24 24 LEU N N 24 123.226 123.226 118.176 5.050 17811 9188 1 10 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.302 0.044 17811 9189 1 10 . 1 1 24 24 LEU C C 24 178.681 178.681 178.445 0.236 17811 9190 1 10 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.083 2.448 17811 9191 1 10 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.657 3.325 17811 9192 1 10 . 1 1 24 24 LEU H H 24 7.939 7.939 7.568 0.371 17811 9193 1 10 . 1 1 25 25 GLY N N 25 104.146 104.146 109.202 -5.056 17811 9194 1 10 . 1 1 25 25 GLY C C 25 176.635 176.635 175.695 0.940 17811 9195 1 10 . 1 1 25 25 GLY CA C 25 48.640 48.640 46.960 1.680 17811 9196 1 10 . 1 1 25 25 GLY H H 25 9.209 9.209 7.914 1.295 17811 9197 1 10 . 1 1 26 26 PHE N N 26 123.654 123.654 123.509 0.145 17811 9198 1 10 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.185 -0.065 17811 9199 1 10 . 1 1 26 26 PHE C C 26 177.498 177.498 177.119 0.379 17811 9200 1 10 . 1 1 26 26 PHE CA C 26 58.778 58.778 61.281 -2.502 17811 9201 1 10 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.337 -2.068 17811 9202 1 10 . 1 1 26 26 PHE H H 26 7.089 7.089 8.339 -1.250 17811 9203 1 10 . 1 1 27 27 MET N N 27 117.508 117.508 119.213 -1.705 17811 9204 1 10 . 1 1 27 27 MET HA H 27 4.257 4.257 3.966 0.291 17811 9205 1 10 . 1 1 27 27 MET C C 27 179.977 179.977 178.254 1.723 17811 9206 1 10 . 1 1 27 27 MET CA C 27 59.839 59.839 59.940 -0.101 17811 9207 1 10 . 1 1 27 27 MET CB C 27 33.377 33.377 32.507 0.870 17811 9208 1 10 . 1 1 27 27 MET H H 27 8.061 8.061 7.625 0.436 17811 9209 1 10 . 1 1 28 28 VAL N N 28 119.068 119.068 118.994 0.074 17811 9210 1 10 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.596 0.026 17811 9211 1 10 . 1 1 28 28 VAL C C 28 177.818 177.818 178.025 -0.207 17811 9212 1 10 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.292 -0.322 17811 9213 1 10 . 1 1 28 28 VAL CB C 28 32.063 32.063 30.472 1.591 17811 9214 1 10 . 1 1 28 28 VAL H H 28 8.325 8.325 8.594 -0.269 17811 9215 1 10 . 1 1 29 29 ALA N N 29 123.327 123.327 122.044 1.283 17811 9216 1 10 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.850 0.178 17811 9217 1 10 . 1 1 29 29 ALA C C 29 178.831 178.831 179.290 -0.459 17811 9218 1 10 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.428 0.610 17811 9219 1 10 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.039 -0.566 17811 9220 1 10 . 1 1 29 29 ALA H H 29 8.647 8.647 7.990 0.657 17811 9221 1 10 . 1 1 30 30 ASP N N 30 118.148 118.148 118.463 -0.315 17811 9222 1 10 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.222 0.457 17811 9223 1 10 . 1 1 30 30 ASP C C 30 180.089 180.089 178.452 1.637 17811 9224 1 10 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.341 0.820 17811 9225 1 10 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.905 -1.239 17811 9226 1 10 . 1 1 30 30 ASP H H 30 8.574 8.574 7.942 0.632 17811 9227 1 10 . 1 1 31 31 VAL N N 31 123.410 123.410 117.974 5.436 17811 9228 1 10 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.811 -0.016 17811 9229 1 10 . 1 1 31 31 VAL C C 31 180.070 180.070 177.678 2.392 17811 9230 1 10 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.947 0.777 17811 9231 1 10 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.164 0.420 17811 9232 1 10 . 1 1 31 31 VAL H H 31 7.482 7.482 8.327 -0.845 17811 9233 1 10 . 1 1 32 32 LEU N N 32 121.772 121.772 121.103 0.669 17811 9234 1 10 . 1 1 32 32 LEU HA H 32 3.866 3.866 3.911 -0.045 17811 9235 1 10 . 1 1 32 32 LEU C C 32 178.249 178.249 179.052 -0.803 17811 9236 1 10 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.696 0.671 17811 9237 1 10 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.208 1.061 17811 9238 1 10 . 1 1 32 32 LEU H H 32 8.785 8.785 7.952 0.833 17811 9239 1 10 . 1 1 33 33 ALA N N 33 122.901 122.901 120.928 1.973 17811 9240 1 10 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.005 -0.395 17811 9241 1 10 . 1 1 33 33 ALA C C 33 179.808 179.808 179.793 0.015 17811 9242 1 10 . 1 1 33 33 ALA CA C 33 55.832 55.832 55.198 0.634 17811 9243 1 10 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.144 0.425 17811 9244 1 10 . 1 1 33 33 ALA H H 33 8.711 8.711 7.862 0.849 17811 9245 1 10 . 1 1 34 34 GLY N N 34 105.309 105.309 104.662 0.647 17811 9246 1 10 . 1 1 34 34 GLY C C 34 176.184 176.184 175.750 0.434 17811 9247 1 10 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.164 0.626 17811 9248 1 10 . 1 1 34 34 GLY H H 34 7.665 7.665 8.323 -0.658 17811 9249 1 10 . 1 1 35 35 ARG N N 35 121.117 121.117 120.028 1.089 17811 9250 1 10 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.214 -0.099 17811 9251 1 10 . 1 1 35 35 ARG C C 35 178.812 178.812 177.584 1.228 17811 9252 1 10 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.809 1.585 17811 9253 1 10 . 1 1 35 35 ARG CB C 35 29.666 29.666 30.463 -0.797 17811 9254 1 10 . 1 1 35 35 ARG H H 35 7.623 7.623 7.399 0.224 17811 9255 1 10 . 1 1 36 36 ILE N N 36 120.413 120.413 118.400 2.013 17811 9256 1 10 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.032 -0.310 17811 9257 1 10 . 1 1 36 36 ILE C C 36 177.142 177.142 176.342 0.800 17811 9258 1 10 . 1 1 36 36 ILE CA C 36 64.600 64.600 62.385 2.215 17811 9259 1 10 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.820 -0.044 17811 9260 1 10 . 1 1 36 36 ILE H H 36 7.950 7.950 7.562 0.388 17811 9261 1 10 . 1 1 37 37 GLY N N 37 107.419 107.419 108.462 -1.043 17811 9262 1 10 . 1 1 37 37 GLY C C 37 174.307 174.307 173.728 0.579 17811 9263 1 10 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.796 0.624 17811 9264 1 10 . 1 1 37 37 GLY H H 37 8.305 8.305 7.886 0.419 17811 9265 1 10 . 1 1 38 38 SER N N 38 113.320 113.320 117.788 -4.468 17811 9266 1 10 . 1 1 38 38 SER HA H 38 4.683 4.683 4.680 0.003 17811 9267 1 10 . 1 1 38 38 SER C C 38 171.472 171.472 172.766 -1.294 17811 9268 1 10 . 1 1 38 38 SER CA C 38 56.654 56.654 58.166 -1.512 17811 9269 1 10 . 1 1 38 38 SER CB C 38 66.244 66.244 65.995 0.249 17811 9270 1 10 . 1 1 38 38 SER H H 38 7.101 7.101 7.763 -0.662 17811 9271 1 10 . 1 1 39 39 ALA N N 39 123.838 123.838 127.202 -3.364 17811 9272 1 10 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.661 -0.259 17811 9273 1 10 . 1 1 39 39 ALA C C 39 177.708 177.708 175.655 2.053 17811 9274 1 10 . 1 1 39 39 ALA CA C 39 50.695 50.695 52.192 -1.497 17811 9275 1 10 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.817 -0.192 17811 9276 1 10 . 1 1 39 39 ALA H H 39 8.032 8.032 8.321 -0.289 17811 9277 1 10 . 1 1 40 40 PHE N N 40 118.117 118.117 121.532 -3.415 17811 9278 1 10 . 1 1 40 40 PHE HA H 40 4.039 4.039 4.999 -0.960 17811 9279 1 10 . 1 1 40 40 PHE C C 40 176.672 176.672 174.025 2.647 17811 9280 1 10 . 1 1 40 40 PHE CA C 40 59.942 59.942 57.448 2.494 17811 9281 1 10 . 1 1 40 40 PHE CB C 40 40.694 40.694 43.298 -2.604 17811 9282 1 10 . 1 1 40 40 PHE H H 40 8.066 8.066 8.265 -0.199 17811 9283 1 10 . 1 1 41 41 LYS N N 41 120.915 120.915 118.114 2.801 17811 9284 1 10 . 1 1 41 41 LYS HA H 41 4.762 4.762 5.053 -0.291 17811 9285 1 10 . 1 1 41 41 LYS C C 41 176.034 176.034 176.189 -0.155 17811 9286 1 10 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.648 0.088 17811 9287 1 10 . 1 1 41 41 LYS CB C 41 36.310 36.310 34.487 1.823 17811 9288 1 10 . 1 1 41 41 LYS H H 41 8.593 8.593 8.672 -0.079 17811 9289 1 10 . 1 1 42 42 VAL N N 42 123.504 123.504 120.640 2.864 17811 9290 1 10 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.119 -0.287 17811 9291 1 10 . 1 1 42 42 VAL C C 42 175.377 175.377 176.346 -0.969 17811 9292 1 10 . 1 1 42 42 VAL CA C 42 64.874 64.874 64.003 0.871 17811 9293 1 10 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.680 0.246 17811 9294 1 10 . 1 1 42 42 VAL H H 42 8.707 8.707 8.634 0.073 17811 9295 1 10 . 1 1 43 43 HIS N N 43 132.195 132.195 129.460 2.735 17811 9296 1 10 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.776 -0.251 17811 9297 1 10 . 1 1 43 43 HIS C C 43 175.104 175.104 174.435 0.669 17811 9298 1 10 . 1 1 43 43 HIS CA C 43 56.106 56.106 54.633 1.473 17811 9299 1 10 . 1 1 43 43 HIS CB C 43 31.721 31.721 31.701 0.020 17811 9300 1 10 . 1 1 43 43 HIS H H 43 9.354 9.354 8.426 0.928 17811 9301 1 10 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.068 -0.128 17811 9302 1 10 . 1 1 45 45 LYS C C 45 177.001 177.001 176.042 0.959 17811 9303 1 10 . 1 1 45 45 LYS CA C 45 58.367 58.367 56.737 1.630 17811 9304 1 10 . 1 1 45 45 LYS CB C 45 32.200 32.200 32.596 -0.396 17811 9305 1 10 . 1 1 46 46 SER N N 46 111.577 111.577 115.000 -3.423 17811 9306 1 10 . 1 1 46 46 SER HA H 46 4.414 4.414 4.863 -0.449 17811 9307 1 10 . 1 1 46 46 SER C C 46 174.926 174.926 175.951 -1.025 17811 9308 1 10 . 1 1 46 46 SER CA C 46 60.011 60.011 57.464 2.547 17811 9309 1 10 . 1 1 46 46 SER CB C 46 65.354 65.354 64.197 1.157 17811 9310 1 10 . 1 1 46 46 SER H H 46 7.746 7.746 8.242 -0.496 17811 9311 1 10 . 1 1 47 47 GLY N N 47 112.402 112.402 111.048 1.354 17811 9312 1 10 . 1 1 47 47 GLY C C 47 173.180 173.180 173.800 -0.620 17811 9313 1 10 . 1 1 47 47 GLY CA C 47 45.215 45.215 45.029 0.186 17811 9314 1 10 . 1 1 47 47 GLY H H 47 8.692 8.692 8.592 0.100 17811 9315 1 10 . 1 1 48 48 ALA N N 48 120.322 120.322 123.648 -3.326 17811 9316 1 10 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.776 -0.360 17811 9317 1 10 . 1 1 48 48 ALA C C 48 175.621 175.621 176.434 -0.813 17811 9318 1 10 . 1 1 48 48 ALA CA C 48 51.585 51.585 50.663 0.922 17811 9319 1 10 . 1 1 48 48 ALA CB C 48 19.802 19.802 21.344 -1.542 17811 9320 1 10 . 1 1 48 48 ALA H H 48 7.740 7.740 8.455 -0.715 17811 9321 1 10 . 1 1 49 49 GLU N N 49 116.907 116.907 118.784 -1.877 17811 9322 1 10 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.668 0.258 17811 9323 1 10 . 1 1 49 49 GLU C C 49 176.184 176.184 175.631 0.553 17811 9324 1 10 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.212 -0.654 17811 9325 1 10 . 1 1 49 49 GLU CB C 49 31.858 31.858 29.819 2.039 17811 9326 1 10 . 1 1 49 49 GLU H H 49 8.262 8.262 8.189 0.073 17811 9327 1 10 . 1 1 50 50 VAL N N 50 117.403 117.403 119.954 -2.551 17811 9328 1 10 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.160 0.680 17811 9329 1 10 . 1 1 50 50 VAL C C 50 176.053 176.053 174.673 1.380 17811 9330 1 10 . 1 1 50 50 VAL CA C 50 60.011 60.011 59.307 0.704 17811 9331 1 10 . 1 1 50 50 VAL CB C 50 38.091 38.091 34.332 3.759 17811 9332 1 10 . 1 1 50 50 VAL H H 50 9.223 9.223 7.993 1.230 17811 9333 1 10 . 1 1 51 51 VAL N N 51 125.278 125.278 125.198 0.080 17811 9334 1 10 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.086 0.065 17811 9335 1 10 . 1 1 51 51 VAL C C 51 173.706 173.706 174.100 -0.394 17811 9336 1 10 . 1 1 51 51 VAL CA C 51 61.449 61.449 59.889 1.560 17811 9337 1 10 . 1 1 51 51 VAL CB C 51 35.899 35.899 33.893 2.006 17811 9338 1 10 . 1 1 51 51 VAL H H 51 9.266 9.266 8.937 0.329 17811 9339 1 10 . 1 1 52 52 THR N N 52 115.674 115.674 120.065 -4.391 17811 9340 1 10 . 1 1 52 52 THR HA H 52 5.168 5.168 4.819 0.349 17811 9341 1 10 . 1 1 52 52 THR C C 52 173.669 173.669 174.327 -0.658 17811 9342 1 10 . 1 1 52 52 THR CA C 52 58.709 58.709 60.198 -1.489 17811 9343 1 10 . 1 1 52 52 THR CB C 52 70.628 70.628 68.837 1.791 17811 9344 1 10 . 1 1 52 52 THR H H 52 8.243 8.243 7.701 0.542 17811 9345 1 10 . 1 1 53 53 GLY N N 53 108.122 108.122 113.421 -5.299 17811 9346 1 10 . 1 1 53 53 GLY C C 53 170.721 170.721 172.030 -1.309 17811 9347 1 10 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.057 1.432 17811 9348 1 10 . 1 1 53 53 GLY H H 53 7.908 7.908 8.150 -0.242 17811 9349 1 10 . 1 1 54 54 ARG N N 54 120.750 120.750 120.992 -0.242 17811 9350 1 10 . 1 1 54 54 ARG HA H 54 5.105 5.105 4.969 0.136 17811 9351 1 10 . 1 1 54 54 ARG C C 54 175.095 175.095 175.503 -0.408 17811 9352 1 10 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.050 -0.041 17811 9353 1 10 . 1 1 54 54 ARG CB C 54 32.474 32.474 30.202 2.272 17811 9354 1 10 . 1 1 54 54 ARG H H 54 8.379 8.379 8.507 -0.128 17811 9355 1 10 . 1 1 55 55 LEU N N 55 123.787 123.787 126.707 -2.920 17811 9356 1 10 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.579 -0.152 17811 9357 1 10 . 1 1 55 55 LEU C C 55 175.058 175.058 177.166 -2.108 17811 9358 1 10 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.984 -0.412 17811 9359 1 10 . 1 1 55 55 LEU CB C 55 45.968 45.968 43.107 2.861 17811 9360 1 10 . 1 1 55 55 LEU H H 55 8.777 8.777 8.005 0.772 17811 9361 1 10 . 1 1 56 56 ALA N N 56 127.548 127.548 123.560 3.988 17811 9362 1 10 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.956 -0.026 17811 9363 1 10 . 1 1 56 56 ALA C C 56 177.855 177.855 177.775 0.080 17811 9364 1 10 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.153 -0.061 17811 9365 1 10 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.824 -0.214 17811 9366 1 10 . 1 1 56 56 ALA H H 56 9.275 9.275 9.139 0.136 17811 9367 1 10 . 1 1 57 57 GLY N N 57 103.215 103.215 103.607 -0.392 17811 9368 1 10 . 1 1 57 57 GLY C C 57 174.157 174.157 174.714 -0.557 17811 9369 1 10 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.036 0.658 17811 9370 1 10 . 1 1 57 57 GLY H H 57 8.507 8.507 8.201 0.306 17811 9371 1 10 . 1 1 58 58 THR N N 58 119.802 119.802 120.848 -1.046 17811 9372 1 10 . 1 1 58 58 THR HA H 58 4.411 4.411 4.299 0.112 17811 9373 1 10 . 1 1 58 58 THR C C 58 172.711 172.711 173.786 -1.075 17811 9374 1 10 . 1 1 58 58 THR CA C 58 62.134 62.134 62.079 0.055 17811 9375 1 10 . 1 1 58 58 THR CB C 58 71.313 71.313 69.496 1.817 17811 9376 1 10 . 1 1 58 58 THR H H 58 8.017 8.017 7.812 0.205 17811 9377 1 10 . 1 1 59 59 SER N N 59 122.901 122.901 123.930 -1.029 17811 9378 1 10 . 1 1 59 59 SER HA H 59 4.492 4.492 4.531 -0.039 17811 9379 1 10 . 1 1 59 59 SER C C 59 173.537 173.537 174.002 -0.465 17811 9380 1 10 . 1 1 59 59 SER CA C 59 59.600 59.600 59.847 -0.247 17811 9381 1 10 . 1 1 59 59 SER CB C 59 63.367 63.367 62.873 0.494 17811 9382 1 10 . 1 1 59 59 SER H H 59 9.013 9.013 8.930 0.083 17811 9383 1 10 . 1 1 60 60 VAL N N 60 119.354 119.354 120.649 -1.295 17811 9384 1 10 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.783 0.277 17811 9385 1 10 . 1 1 60 60 VAL C C 60 174.926 174.926 173.685 1.241 17811 9386 1 10 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.678 -0.352 17811 9387 1 10 . 1 1 60 60 VAL CB C 60 36.378 36.378 35.086 1.292 17811 9388 1 10 . 1 1 60 60 VAL H H 60 8.836 8.836 9.015 -0.179 17811 9389 1 10 . 1 1 61 61 VAL N N 61 124.480 124.480 120.079 4.401 17811 9390 1 10 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.214 -0.049 17811 9391 1 10 . 1 1 61 61 VAL C C 61 173.218 173.218 174.196 -0.978 17811 9392 1 10 . 1 1 61 61 VAL CA C 61 61.929 61.929 61.062 0.867 17811 9393 1 10 . 1 1 61 61 VAL CB C 61 32.474 32.474 32.259 0.215 17811 9394 1 10 . 1 1 61 61 VAL H H 61 8.507 8.507 8.894 -0.387 17811 9395 1 10 . 1 1 62 62 LEU N N 62 129.499 129.499 130.274 -0.775 17811 9396 1 10 . 1 1 62 62 LEU HA H 62 5.472 5.472 5.285 0.187 17811 9397 1 10 . 1 1 62 62 LEU C C 62 175.095 175.095 174.330 0.765 17811 9398 1 10 . 1 1 62 62 LEU CA C 62 52.750 52.750 52.727 0.022 17811 9399 1 10 . 1 1 62 62 LEU CB C 62 44.872 44.872 45.124 -0.252 17811 9400 1 10 . 1 1 62 62 LEU H H 62 9.202 9.202 8.557 0.645 17811 9401 1 10 . 1 1 63 63 ALA N N 63 126.661 126.661 130.020 -3.359 17811 9402 1 10 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.024 0.848 17811 9403 1 10 . 1 1 63 63 ALA C C 63 175.583 175.583 175.873 -0.290 17811 9404 1 10 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.223 0.061 17811 9405 1 10 . 1 1 63 63 ALA CB C 63 25.556 25.556 21.263 4.293 17811 9406 1 10 . 1 1 63 63 ALA H H 63 9.567 9.567 9.192 0.375 17811 9407 1 10 . 1 1 64 64 LYS N N 64 117.967 117.967 124.269 -6.302 17811 9408 1 10 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.062 -0.062 17811 9409 1 10 . 1 1 64 64 LYS C C 64 174.057 174.057 174.244 -0.187 17811 9410 1 10 . 1 1 64 64 LYS CA C 64 53.298 53.298 53.488 -0.190 17811 9411 1 10 . 1 1 64 64 LYS CB C 64 34.734 34.734 33.194 1.540 17811 9412 1 10 . 1 1 64 64 LYS H H 64 8.422 8.422 8.924 -0.502 17811 9413 1 10 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.645 -0.111 17811 9414 1 10 . 1 1 65 65 PRO C C 65 174.946 174.946 177.009 -2.063 17811 9415 1 10 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.229 0.453 17811 9416 1 10 . 1 1 65 65 PRO CB C 65 32.748 32.748 33.146 -0.398 17811 9417 1 10 . 1 1 66 66 ARG N N 66 121.057 121.057 118.699 2.358 17811 9418 1 10 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.465 0.052 17811 9419 1 10 . 1 1 66 66 ARG C C 66 175.264 175.264 174.997 0.267 17811 9420 1 10 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.306 -1.364 17811 9421 1 10 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.931 0.310 17811 9422 1 10 . 1 1 66 66 ARG H H 66 9.377 9.377 8.684 0.693 17811 9423 1 10 . 1 1 67 67 CYS N N 67 115.093 115.093 115.291 -0.198 17811 9424 1 10 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.548 0.158 17811 9425 1 10 . 1 1 67 67 CYS C C 67 172.092 172.092 173.138 -1.046 17811 9426 1 10 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.090 -2.765 17811 9427 1 10 . 1 1 67 67 CYS CB C 67 30.899 30.899 30.911 -0.012 17811 9428 1 10 . 1 1 67 67 CYS H H 67 7.303 7.303 7.449 -0.146 17811 9429 1 10 . 1 1 68 68 TYR N N 68 115.888 115.888 119.081 -3.193 17811 9430 1 10 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.706 -0.286 17811 9431 1 10 . 1 1 68 68 TYR C C 68 178.080 178.080 178.219 -0.139 17811 9432 1 10 . 1 1 68 68 TYR CA C 68 59.874 59.874 57.865 2.009 17811 9433 1 10 . 1 1 68 68 TYR CB C 68 38.365 38.365 40.090 -1.726 17811 9434 1 10 . 1 1 68 68 TYR H H 68 8.201 8.201 8.601 -0.400 17811 9435 1 10 . 1 1 69 69 MET N N 69 119.802 119.802 118.368 1.434 17811 9436 1 10 . 1 1 69 69 MET HA H 69 4.137 4.137 4.352 -0.215 17811 9437 1 10 . 1 1 69 69 MET C C 69 175.076 175.076 176.240 -1.164 17811 9438 1 10 . 1 1 69 69 MET CA C 69 58.641 58.641 58.676 -0.035 17811 9439 1 10 . 1 1 69 69 MET CB C 69 33.090 33.090 32.854 0.236 17811 9440 1 10 . 1 1 69 69 MET H H 69 8.367 8.367 8.920 -0.553 17811 9441 1 10 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.646 -0.351 17811 9442 1 10 . 1 1 70 70 ASN C C 70 175.274 175.274 175.954 -0.680 17811 9443 1 10 . 1 1 70 70 ASN CA C 70 55.284 55.284 55.397 -0.113 17811 9444 1 10 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.570 -1.096 17811 9445 1 10 . 1 1 71 71 GLU N N 71 117.111 117.111 116.605 0.506 17811 9446 1 10 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.534 0.220 17811 9447 1 10 . 1 1 71 71 GLU C C 71 176.823 176.823 177.813 -0.990 17811 9448 1 10 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.329 -0.908 17811 9449 1 10 . 1 1 71 71 GLU CB C 71 31.036 31.036 29.214 1.822 17811 9450 1 10 . 1 1 71 71 GLU H H 71 8.007 8.007 7.801 0.206 17811 9451 1 10 . 1 1 72 72 SER N N 72 115.827 115.827 117.457 -1.630 17811 9452 1 10 . 1 1 72 72 SER HA H 72 4.726 4.726 4.260 0.466 17811 9453 1 10 . 1 1 72 72 SER C C 72 177.029 177.029 176.080 0.949 17811 9454 1 10 . 1 1 72 72 SER CA C 72 63.778 63.778 61.667 2.111 17811 9455 1 10 . 1 1 72 72 SER CB C 72 63.890 63.890 62.934 0.956 17811 9456 1 10 . 1 1 72 72 SER H H 72 7.703 7.703 7.517 0.186 17811 9457 1 10 . 1 1 73 73 GLY N N 73 109.887 109.887 107.738 2.149 17811 9458 1 10 . 1 1 73 73 GLY C C 73 173.988 173.988 175.969 -1.981 17811 9459 1 10 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.671 1.763 17811 9460 1 10 . 1 1 73 73 GLY H H 73 9.527 9.527 8.622 0.905 17811 9461 1 10 . 1 1 74 74 ARG N N 74 119.068 119.068 118.975 0.093 17811 9462 1 10 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.428 -0.249 17811 9463 1 10 . 1 1 74 74 ARG C C 74 176.973 176.973 177.829 -0.856 17811 9464 1 10 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.218 0.806 17811 9465 1 10 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.811 -0.145 17811 9466 1 10 . 1 1 74 74 ARG H H 74 8.207 8.207 7.771 0.436 17811 9467 1 10 . 1 1 75 75 GLN N N 75 113.474 113.474 117.972 -4.498 17811 9468 1 10 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.383 0.240 17811 9469 1 10 . 1 1 75 75 GLN C C 75 175.840 175.840 178.101 -2.261 17811 9470 1 10 . 1 1 75 75 GLN CA C 75 57.613 57.613 57.495 0.118 17811 9471 1 10 . 1 1 75 75 GLN CB C 75 29.597 29.597 29.351 0.246 17811 9472 1 10 . 1 1 75 75 GLN H H 75 7.260 7.260 7.467 -0.207 17811 9473 1 10 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.756 -0.326 17811 9474 1 10 . 1 1 76 76 VAL C C 76 176.463 176.463 177.882 -1.419 17811 9475 1 10 . 1 1 76 76 VAL CA C 76 66.998 66.998 66.243 0.755 17811 9476 1 10 . 1 1 76 76 VAL CB C 76 32.474 32.474 30.838 1.636 17811 9477 1 10 . 1 1 77 77 GLY N N 77 104.918 104.918 108.655 -3.737 17811 9478 1 10 . 1 1 77 77 GLY C C 77 175.472 175.472 173.295 2.177 17811 9479 1 10 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.270 -0.041 17811 9480 1 10 . 1 1 77 77 GLY H H 77 8.541 8.541 8.057 0.484 17811 9481 1 10 . 1 1 78 78 PRO HA H 78 4.217 4.217 3.838 0.379 17811 9482 1 10 . 1 1 78 78 PRO C C 78 179.208 179.208 177.944 1.264 17811 9483 1 10 . 1 1 78 78 PRO CA C 78 65.148 65.148 64.586 0.562 17811 9484 1 10 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.390 0.878 17811 9485 1 10 . 1 1 79 79 LEU N N 79 119.649 119.649 119.662 -0.013 17811 9486 1 10 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.103 -0.149 17811 9487 1 10 . 1 1 79 79 LEU C C 79 177.367 177.367 178.378 -1.011 17811 9488 1 10 . 1 1 79 79 LEU CA C 79 58.504 58.504 58.331 0.173 17811 9489 1 10 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.637 1.249 17811 9490 1 10 . 1 1 79 79 LEU H H 79 7.466 7.466 7.636 -0.170 17811 9491 1 10 . 1 1 80 80 ALA N N 80 120.470 120.470 119.306 1.164 17811 9492 1 10 . 1 1 80 80 ALA HA H 80 3.888 3.888 4.079 -0.191 17811 9493 1 10 . 1 1 80 80 ALA C C 80 179.939 179.939 179.560 0.379 17811 9494 1 10 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.002 0.489 17811 9495 1 10 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.221 -0.611 17811 9496 1 10 . 1 1 80 80 ALA H H 80 8.279 8.279 8.123 0.156 17811 9497 1 10 . 1 1 81 81 LYS N N 81 116.408 116.408 118.238 -1.830 17811 9498 1 10 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.031 0.063 17811 9499 1 10 . 1 1 81 81 LYS C C 81 179.920 179.920 178.182 1.738 17811 9500 1 10 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.795 0.120 17811 9501 1 10 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.243 0.094 17811 9502 1 10 . 1 1 81 81 LYS H H 81 7.798 7.798 7.237 0.561 17811 9503 1 10 . 1 1 82 82 PHE N N 82 121.199 121.199 116.192 5.007 17811 9504 1 10 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.297 -0.262 17811 9505 1 10 . 1 1 82 82 PHE C C 82 177.254 177.254 177.101 0.153 17811 9506 1 10 . 1 1 82 82 PHE CA C 82 61.449 61.449 60.253 1.196 17811 9507 1 10 . 1 1 82 82 PHE CB C 82 38.913 38.913 39.087 -0.174 17811 9508 1 10 . 1 1 82 82 PHE H H 82 8.489 8.489 7.722 0.767 17811 9509 1 10 . 1 1 83 83 TYR N N 83 114.176 114.176 114.863 -0.687 17811 9510 1 10 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.506 -0.102 17811 9511 1 10 . 1 1 83 83 TYR C C 83 173.368 173.368 175.932 -2.564 17811 9512 1 10 . 1 1 83 83 TYR CA C 83 59.600 59.600 58.745 0.855 17811 9513 1 10 . 1 1 83 83 TYR CB C 83 39.050 39.050 39.138 -0.088 17811 9514 1 10 . 1 1 83 83 TYR H H 83 7.634 7.634 7.598 0.036 17811 9515 1 10 . 1 1 84 84 SER N N 84 114.910 114.910 116.184 -1.274 17811 9516 1 10 . 1 1 84 84 SER HA H 84 4.020 4.020 4.292 -0.272 17811 9517 1 10 . 1 1 84 84 SER C C 84 173.518 173.518 173.715 -0.197 17811 9518 1 10 . 1 1 84 84 SER CA C 84 58.367 58.367 59.201 -0.834 17811 9519 1 10 . 1 1 84 84 SER CB C 84 61.244 61.244 61.940 -0.696 17811 9520 1 10 . 1 1 84 84 SER H H 84 7.674 7.674 7.893 -0.219 17811 9521 1 10 . 1 1 85 85 VAL N N 85 120.291 120.291 119.567 0.724 17811 9522 1 10 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.616 -0.659 17811 9523 1 10 . 1 1 85 85 VAL C C 85 174.171 174.171 173.517 0.654 17811 9524 1 10 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.527 0.799 17811 9525 1 10 . 1 1 85 85 VAL CB C 85 33.296 33.296 32.231 1.065 17811 9526 1 10 . 1 1 85 85 VAL H H 85 8.456 8.456 7.509 0.947 17811 9527 1 10 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.451 -0.095 17811 9528 1 10 . 1 1 89 89 GLN C C 89 179.299 179.299 175.082 4.217 17811 9529 1 10 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.622 1.210 17811 9530 1 10 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.549 -0.294 17811 9531 1 10 . 1 1 90 90 ILE N N 90 119.343 119.343 121.661 -2.318 17811 9532 1 10 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.290 -0.228 17811 9533 1 10 . 1 1 90 90 ILE C C 90 175.020 175.020 175.548 -0.528 17811 9534 1 10 . 1 1 90 90 ILE CA C 90 60.627 60.627 60.771 -0.144 17811 9535 1 10 . 1 1 90 90 ILE CB C 90 38.365 38.365 38.975 -0.610 17811 9536 1 10 . 1 1 90 90 ILE H H 90 7.728 7.728 7.449 0.279 17811 9537 1 10 . 1 1 91 91 VAL N N 91 127.979 127.979 125.683 2.296 17811 9538 1 10 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.678 -0.224 17811 9539 1 10 . 1 1 91 91 VAL C C 91 174.119 174.119 173.828 0.291 17811 9540 1 10 . 1 1 91 91 VAL CA C 91 60.490 60.490 60.155 0.335 17811 9541 1 10 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.925 -0.327 17811 9542 1 10 . 1 1 91 91 VAL H H 91 9.358 9.358 8.728 0.630 17811 9543 1 10 . 1 1 92 92 VAL N N 92 127.153 127.153 123.598 3.555 17811 9544 1 10 . 1 1 92 92 VAL HA H 92 4.155 4.155 5.092 -0.937 17811 9545 1 10 . 1 1 92 92 VAL C C 92 174.326 174.326 175.845 -1.519 17811 9546 1 10 . 1 1 92 92 VAL CA C 92 61.107 61.107 59.752 1.355 17811 9547 1 10 . 1 1 92 92 VAL CB C 92 33.570 33.570 34.949 -1.379 17811 9548 1 10 . 1 1 92 92 VAL H H 92 9.268 9.268 8.516 0.752 17811 9549 1 10 . 1 1 93 93 ILE N N 93 128.894 128.894 127.040 1.854 17811 9550 1 10 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.189 0.811 17811 9551 1 10 . 1 1 93 93 ILE C C 93 174.945 174.945 174.897 0.048 17811 9552 1 10 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.824 0.146 17811 9553 1 10 . 1 1 93 93 ILE CB C 93 39.461 39.461 37.380 2.081 17811 9554 1 10 . 1 1 93 93 ILE H H 93 9.198 9.198 8.619 0.579 17811 9555 1 10 . 1 1 94 94 HIS N N 94 121.624 121.624 122.947 -1.323 17811 9556 1 10 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.870 0.554 17811 9557 1 10 . 1 1 94 94 HIS C C 94 171.510 171.510 173.806 -2.296 17811 9558 1 10 . 1 1 94 94 HIS CA C 94 54.188 54.188 55.194 -1.006 17811 9559 1 10 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.331 -1.583 17811 9560 1 10 . 1 1 94 94 HIS H H 94 8.762 8.762 8.582 0.180 17811 9561 1 10 . 1 1 95 95 ASP N N 95 115.353 115.353 120.534 -5.181 17811 9562 1 10 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.703 0.401 17811 9563 1 10 . 1 1 95 95 ASP C C 95 177.555 177.555 174.969 2.586 17811 9564 1 10 . 1 1 95 95 ASP CA C 95 52.818 52.818 52.845 -0.027 17811 9565 1 10 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.970 0.094 17811 9566 1 10 . 1 1 95 95 ASP H H 95 10.045 10.045 8.518 1.527 17811 9567 1 10 . 1 1 96 96 GLU N N 96 125.562 125.562 122.915 2.647 17811 9568 1 10 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.622 0.612 17811 9569 1 10 . 1 1 96 96 GLU C C 96 175.245 175.245 176.495 -1.250 17811 9570 1 10 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.536 0.063 17811 9571 1 10 . 1 1 96 96 GLU CB C 96 34.255 34.255 31.418 2.837 17811 9572 1 10 . 1 1 96 96 GLU H H 96 9.100 9.100 8.719 0.381 17811 9573 1 10 . 1 1 97 97 LEU N N 97 130.882 130.882 125.434 5.448 17811 9574 1 10 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.988 -0.480 17811 9575 1 10 . 1 1 97 97 LEU C C 97 177.911 177.911 177.806 0.105 17811 9576 1 10 . 1 1 97 97 LEU CA C 97 56.928 56.928 55.905 1.023 17811 9577 1 10 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.797 1.843 17811 9578 1 10 . 1 1 97 97 LEU H H 97 8.774 8.774 8.759 0.015 17811 9579 1 10 . 1 1 98 98 ASP N N 98 114.282 114.282 120.005 -5.723 17811 9580 1 10 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.366 0.099 17811 9581 1 10 . 1 1 98 98 ASP C C 98 175.339 175.339 176.121 -0.782 17811 9582 1 10 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.826 -0.857 17811 9583 1 10 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.419 -0.794 17811 9584 1 10 . 1 1 98 98 ASP H H 98 8.729 8.729 8.597 0.132 17811 9585 1 10 . 1 1 99 99 ILE N N 99 116.163 116.163 118.781 -2.618 17811 9586 1 10 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.178 -0.292 17811 9587 1 10 . 1 1 99 99 ILE C C 99 174.044 174.044 174.622 -0.578 17811 9588 1 10 . 1 1 99 99 ILE CA C 99 59.394 59.394 60.500 -1.106 17811 9589 1 10 . 1 1 99 99 ILE CB C 99 40.968 40.968 39.831 1.137 17811 9590 1 10 . 1 1 99 99 ILE H H 99 7.149 7.149 7.612 -0.463 17811 9591 1 10 . 1 1 100 100 ASP N N 100 122.370 122.370 125.165 -2.795 17811 9592 1 10 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.511 -0.210 17811 9593 1 10 . 1 1 100 100 ASP C C 100 175.321 175.321 175.793 -0.472 17811 9594 1 10 . 1 1 100 100 ASP CA C 100 55.216 55.216 52.840 2.376 17811 9595 1 10 . 1 1 100 100 ASP CB C 100 41.584 41.584 42.035 -0.451 17811 9596 1 10 . 1 1 100 100 ASP H H 100 8.109 8.109 8.265 -0.156 17811 9597 1 10 . 1 1 101 101 PHE N N 101 119.674 119.674 113.708 5.966 17811 9598 1 10 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.977 -0.944 17811 9599 1 10 . 1 1 101 101 PHE C C 101 176.654 176.654 176.900 -0.246 17811 9600 1 10 . 1 1 101 101 PHE CA C 101 59.463 59.463 57.788 1.675 17811 9601 1 10 . 1 1 101 101 PHE CB C 101 39.324 39.324 38.667 0.657 17811 9602 1 10 . 1 1 101 101 PHE H H 101 8.598 8.598 7.993 0.605 17811 9603 1 10 . 1 1 102 102 GLY N N 102 116.800 116.800 112.257 4.543 17811 9604 1 10 . 1 1 102 102 GLY C C 102 172.749 172.749 173.420 -0.671 17811 9605 1 10 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.220 -0.005 17811 9606 1 10 . 1 1 102 102 GLY H H 102 8.550 8.550 8.682 -0.132 17811 9607 1 10 . 1 1 103 103 ARG N N 103 118.304 118.304 120.964 -2.660 17811 9608 1 10 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.891 -0.353 17811 9609 1 10 . 1 1 103 103 ARG C C 103 175.114 175.114 174.077 1.037 17811 9610 1 10 . 1 1 103 103 ARG CA C 103 54.736 54.736 54.383 0.353 17811 9611 1 10 . 1 1 103 103 ARG CB C 103 31.310 31.310 32.400 -1.089 17811 9612 1 10 . 1 1 103 103 ARG H H 103 7.730 7.730 7.511 0.219 17811 9613 1 10 . 1 1 104 104 ILE N N 104 122.440 122.440 120.292 2.148 17811 9614 1 10 . 1 1 104 104 ILE HA H 104 4.971 4.971 5.033 -0.062 17811 9615 1 10 . 1 1 104 104 ILE C C 104 175.884 175.884 174.564 1.320 17811 9616 1 10 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.432 0.373 17811 9617 1 10 . 1 1 104 104 ILE CB C 104 40.968 40.968 40.733 0.235 17811 9618 1 10 . 1 1 104 104 ILE H H 104 8.687 8.687 8.403 0.284 17811 9619 1 10 . 1 1 105 105 ARG N N 105 124.391 124.391 123.262 1.129 17811 9620 1 10 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.691 0.211 17811 9621 1 10 . 1 1 105 105 ARG C C 105 174.157 174.157 173.810 0.347 17811 9622 1 10 . 1 1 105 105 ARG CA C 105 51.914 51.914 55.568 -3.654 17811 9623 1 10 . 1 1 105 105 ARG CB C 105 34.597 34.597 34.464 0.133 17811 9624 1 10 . 1 1 105 105 ARG H H 105 9.025 9.025 8.958 0.067 17811 9625 1 10 . 1 1 106 106 LEU N N 106 123.612 123.612 122.732 0.880 17811 9626 1 10 . 1 1 106 106 LEU HA H 106 5.531 5.531 5.086 0.445 17811 9627 1 10 . 1 1 106 106 LEU C C 106 178.303 178.303 175.877 2.426 17811 9628 1 10 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.003 -0.842 17811 9629 1 10 . 1 1 106 106 LEU CB C 106 45.420 45.420 43.802 1.618 17811 9630 1 10 . 1 1 106 106 LEU H H 106 11.263 11.263 8.470 2.793 17811 9631 1 10 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.601 -0.525 17811 9632 1 10 . 1 1 107 107 LYS C C 107 175.241 175.241 174.929 0.312 17811 9633 1 10 . 1 1 107 107 LYS CA C 107 56.419 56.419 55.492 0.927 17811 9634 1 10 . 1 1 107 107 LYS CB C 107 38.913 38.913 34.753 4.160 17811 9635 1 10 . 1 1 108 108 LEU N N 108 125.733 125.733 122.002 3.731 17811 9636 1 10 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.771 -0.108 17811 9637 1 10 . 1 1 108 108 LEU C C 108 176.152 176.152 176.079 0.073 17811 9638 1 10 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.804 -0.479 17811 9639 1 10 . 1 1 108 108 LEU CB C 108 42.374 42.374 41.370 1.004 17811 9640 1 10 . 1 1 108 108 LEU H H 108 8.488 8.488 8.630 -0.142 17811 9641 1 10 . 1 1 109 109 GLY N N 109 113.088 113.088 112.119 0.969 17811 9642 1 10 . 1 1 109 109 GLY C C 109 171.829 171.829 172.562 -0.733 17811 9643 1 10 . 1 1 109 109 GLY CA C 109 44.461 44.461 44.908 -0.447 17811 9644 1 10 . 1 1 109 109 GLY H H 109 7.427 7.427 7.795 -0.368 17811 9645 1 10 . 1 1 110 110 GLY N N 110 102.747 102.747 107.421 -4.674 17811 9646 1 10 . 1 1 110 110 GLY C C 110 174.538 174.538 173.954 0.584 17811 9647 1 10 . 1 1 110 110 GLY CA C 110 44.050 44.050 45.322 -1.272 17811 9648 1 10 . 1 1 110 110 GLY H H 110 7.685 7.685 8.316 -0.631 17811 9649 1 10 . 1 1 111 111 GLY N N 111 117.376 117.376 111.426 5.950 17811 9650 1 10 . 1 1 111 111 GLY C C 111 172.020 172.020 172.355 -0.335 17811 9651 1 10 . 1 1 111 111 GLY CA C 111 43.845 43.845 45.464 -1.619 17811 9652 1 10 . 1 1 111 111 GLY H H 111 8.252 8.252 8.043 0.209 17811 9653 1 10 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.521 -0.327 17811 9654 1 10 . 1 1 112 112 GLU C C 112 177.997 177.997 175.803 2.194 17811 9655 1 10 . 1 1 112 112 GLU CA C 112 57.202 57.202 55.428 1.774 17811 9656 1 10 . 1 1 112 112 GLU CB C 112 29.489 29.489 31.881 -2.392 17811 9657 1 10 . 1 1 113 113 GLY N N 113 110.029 110.029 108.597 1.432 17811 9658 1 10 . 1 1 113 113 GLY C C 113 175.583 175.583 174.782 0.801 17811 9659 1 10 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.237 1.759 17811 9660 1 10 . 1 1 113 113 GLY H H 113 8.638 8.638 8.811 -0.173 17811 9661 1 10 . 1 1 114 114 GLY N N 114 107.830 107.830 108.831 -1.001 17811 9662 1 10 . 1 1 114 114 GLY C C 114 173.838 173.838 174.893 -1.055 17811 9663 1 10 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.926 0.426 17811 9664 1 10 . 1 1 114 114 GLY H H 114 8.579 8.579 8.601 -0.022 17811 9665 1 10 . 1 1 115 115 HIS N N 115 122.890 122.890 118.932 3.958 17811 9666 1 10 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.068 0.635 17811 9667 1 10 . 1 1 115 115 HIS C C 115 176.520 176.520 176.262 0.258 17811 9668 1 10 . 1 1 115 115 HIS CA C 115 57.956 57.956 59.032 -1.075 17811 9669 1 10 . 1 1 115 115 HIS CB C 115 32.405 32.405 28.795 3.610 17811 9670 1 10 . 1 1 115 115 HIS H H 115 7.830 7.830 7.910 -0.080 17811 9671 1 10 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.381 -0.085 17811 9672 1 10 . 1 1 116 116 ASN C C 116 178.246 178.246 176.960 1.286 17811 9673 1 10 . 1 1 116 116 ASN CA C 116 56.380 56.380 55.500 0.880 17811 9674 1 10 . 1 1 116 116 ASN CB C 116 36.721 36.721 38.431 -1.710 17811 9675 1 10 . 1 1 117 117 GLY N N 117 113.570 113.570 107.101 6.469 17811 9676 1 10 . 1 1 117 117 GLY C C 117 175.114 175.114 176.253 -1.139 17811 9677 1 10 . 1 1 117 117 GLY CA C 117 47.407 47.407 47.105 0.302 17811 9678 1 10 . 1 1 117 117 GLY H H 117 9.245 9.245 7.886 1.359 17811 9679 1 10 . 1 1 118 118 LEU N N 118 123.746 123.746 120.093 3.653 17811 9680 1 10 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.190 -0.354 17811 9681 1 10 . 1 1 118 118 LEU C C 118 179.150 179.150 178.779 0.371 17811 9682 1 10 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.434 1.659 17811 9683 1 10 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.655 0.683 17811 9684 1 10 . 1 1 118 118 LEU H H 118 8.133 8.133 7.152 0.981 17811 9685 1 10 . 1 1 119 119 ARG N N 119 117.495 117.495 119.436 -1.941 17811 9686 1 10 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.085 -0.024 17811 9687 1 10 . 1 1 119 119 ARG C C 119 178.400 178.400 178.454 -0.054 17811 9688 1 10 . 1 1 119 119 ARG CA C 119 59.737 59.737 57.975 1.762 17811 9689 1 10 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.557 0.931 17811 9690 1 10 . 1 1 119 119 ARG H H 119 8.234 8.234 7.676 0.558 17811 9691 1 10 . 1 1 120 120 SER N N 120 112.769 112.769 115.638 -2.869 17811 9692 1 10 . 1 1 120 120 SER HA H 120 4.218 4.218 4.116 0.102 17811 9693 1 10 . 1 1 120 120 SER C C 120 178.568 178.568 176.402 2.166 17811 9694 1 10 . 1 1 120 120 SER CA C 120 60.901 60.901 61.936 -1.035 17811 9695 1 10 . 1 1 120 120 SER CB C 120 63.367 63.367 63.005 0.362 17811 9696 1 10 . 1 1 120 120 SER H H 120 7.283 7.283 8.319 -1.036 17811 9697 1 10 . 1 1 121 121 VAL N N 121 120.291 120.291 120.613 -0.322 17811 9698 1 10 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.733 -0.474 17811 9699 1 10 . 1 1 121 121 VAL C C 121 176.485 176.485 177.774 -1.289 17811 9700 1 10 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.641 2.453 17811 9701 1 10 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.026 0.558 17811 9702 1 10 . 1 1 121 121 VAL H H 121 8.263 8.263 7.542 0.721 17811 9703 1 10 . 1 1 122 122 ALA N N 122 120.702 120.702 123.027 -2.325 17811 9704 1 10 . 1 1 122 122 ALA HA H 122 4.485 4.485 3.896 0.589 17811 9705 1 10 . 1 1 122 122 ALA C C 122 181.178 181.178 179.516 1.662 17811 9706 1 10 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.218 0.066 17811 9707 1 10 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.143 0.426 17811 9708 1 10 . 1 1 122 122 ALA H H 122 8.708 8.708 7.615 1.093 17811 9709 1 10 . 1 1 123 123 SER N N 123 113.198 113.198 114.403 -1.205 17811 9710 1 10 . 1 1 123 123 SER HA H 123 4.049 4.049 4.151 -0.102 17811 9711 1 10 . 1 1 123 123 SER C C 123 176.672 176.672 176.479 0.193 17811 9712 1 10 . 1 1 123 123 SER CA C 123 61.312 61.312 61.738 -0.426 17811 9713 1 10 . 1 1 123 123 SER CB C 123 62.888 62.888 63.217 -0.329 17811 9714 1 10 . 1 1 123 123 SER H H 123 8.137 8.137 7.885 0.252 17811 9715 1 10 . 1 1 124 124 ALA N N 124 122.798 122.798 123.447 -0.649 17811 9716 1 10 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.190 -0.054 17811 9717 1 10 . 1 1 124 124 ALA C C 124 180.052 180.052 178.717 1.335 17811 9718 1 10 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.506 0.162 17811 9719 1 10 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.944 0.926 17811 9720 1 10 . 1 1 124 124 ALA H H 124 7.692 7.692 8.076 -0.384 17811 9721 1 10 . 1 1 125 125 LEU N N 125 114.359 114.359 117.563 -3.204 17811 9722 1 10 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.326 -0.135 17811 9723 1 10 . 1 1 125 125 LEU C C 125 178.024 178.024 178.275 -0.251 17811 9724 1 10 . 1 1 125 125 LEU CA C 125 55.490 55.490 55.462 0.028 17811 9725 1 10 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.913 0.042 17811 9726 1 10 . 1 1 125 125 LEU H H 125 8.219 8.219 7.800 0.419 17811 9727 1 10 . 1 1 126 126 GLY N N 126 106.746 106.746 106.877 -0.131 17811 9728 1 10 . 1 1 126 126 GLY C C 126 173.124 173.124 173.987 -0.863 17811 9729 1 10 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.035 0.522 17811 9730 1 10 . 1 1 126 126 GLY H H 126 7.910 7.910 8.171 -0.262 17811 9731 1 10 . 1 1 127 127 THR N N 127 112.372 112.372 112.783 -0.411 17811 9732 1 10 . 1 1 127 127 THR HA H 127 4.586 4.586 4.657 -0.071 17811 9733 1 10 . 1 1 127 127 THR C C 127 170.252 170.252 173.683 -3.431 17811 9734 1 10 . 1 1 127 127 THR CA C 127 59.463 59.463 60.050 -0.587 17811 9735 1 10 . 1 1 127 127 THR CB C 127 67.751 67.751 70.447 -2.696 17811 9736 1 10 . 1 1 127 127 THR H H 127 7.611 7.611 7.817 -0.206 17811 9737 1 10 . 1 1 128 128 LYS N N 128 120.933 120.933 119.192 1.741 17811 9738 1 10 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.176 0.139 17811 9739 1 10 . 1 1 128 128 LYS C C 128 178.400 178.400 175.144 3.256 17811 9740 1 10 . 1 1 128 128 LYS CA C 128 56.038 56.038 55.950 0.088 17811 9741 1 10 . 1 1 128 128 LYS CB C 128 32.748 32.748 31.964 0.784 17811 9742 1 10 . 1 1 128 128 LYS H H 128 8.075 8.075 8.455 -0.380 17811 9743 1 10 . 1 1 129 129 ASN N N 129 124.675 124.675 115.454 9.221 17811 9744 1 10 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.272 0.032 17811 9745 1 10 . 1 1 129 129 ASN C C 129 171.284 171.284 173.527 -2.243 17811 9746 1 10 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.238 0.882 17811 9747 1 10 . 1 1 129 129 ASN CB C 129 37.063 37.063 36.857 0.206 17811 9748 1 10 . 1 1 129 129 ASN H H 129 8.736 8.736 7.381 1.355 17811 9749 1 10 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.257 0.834 17811 9750 1 10 . 1 1 131 131 HIS C C 131 175.397 175.397 174.209 1.188 17811 9751 1 10 . 1 1 131 131 HIS CA C 131 60.148 60.148 56.595 3.553 17811 9752 1 10 . 1 1 131 131 HIS CB C 131 30.967 30.967 27.294 3.673 17811 9753 1 10 . 1 1 132 132 ARG N N 132 119.440 119.440 119.929 -0.489 17811 9754 1 10 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.386 1.563 17811 9755 1 10 . 1 1 132 132 ARG C C 132 174.945 174.945 174.453 0.492 17811 9756 1 10 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.609 -0.051 17811 9757 1 10 . 1 1 132 132 ARG CB C 132 32.679 32.679 30.789 1.890 17811 9758 1 10 . 1 1 132 132 ARG H H 132 9.525 9.525 7.943 1.582 17811 9759 1 10 . 1 1 133 133 VAL N N 133 124.107 124.107 125.542 -1.435 17811 9760 1 10 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.282 -0.175 17811 9761 1 10 . 1 1 133 133 VAL C C 133 172.805 172.805 175.238 -2.433 17811 9762 1 10 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.596 0.881 17811 9763 1 10 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.802 -0.397 17811 9764 1 10 . 1 1 133 133 VAL H H 133 8.669 8.669 8.636 0.033 17811 9765 1 10 . 1 1 134 134 ARG N N 134 123.782 123.782 128.641 -4.859 17811 9766 1 10 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.491 -0.867 17811 9767 1 10 . 1 1 134 134 ARG C C 134 174.964 174.964 174.905 0.059 17811 9768 1 10 . 1 1 134 134 ARG CA C 134 53.914 53.914 55.212 -1.298 17811 9769 1 10 . 1 1 134 134 ARG CB C 134 32.063 32.063 30.352 1.711 17811 9770 1 10 . 1 1 134 134 ARG H H 134 8.822 8.822 8.630 0.192 17811 9771 1 10 . 1 1 135 135 ILE N N 135 122.618 122.618 125.493 -2.875 17811 9772 1 10 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.228 0.072 17811 9773 1 10 . 1 1 135 135 ILE C C 135 175.809 175.809 175.214 0.595 17811 9774 1 10 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.660 -0.033 17811 9775 1 10 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.950 -0.517 17811 9776 1 10 . 1 1 135 135 ILE H H 135 8.532 8.532 8.145 0.387 17811 9777 1 10 . 1 1 136 136 GLY N N 136 116.268 116.268 117.223 -0.955 17811 9778 1 10 . 1 1 136 136 GLY C C 136 175.302 175.302 175.180 0.122 17811 9779 1 10 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.361 3.073 17811 9780 1 10 . 1 1 136 136 GLY H H 136 9.240 9.240 8.798 0.442 17811 9781 1 10 . 1 1 137 137 VAL N N 137 111.669 111.669 120.383 -8.714 17811 9782 1 10 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.511 0.684 17811 9783 1 10 . 1 1 137 137 VAL C C 137 176.691 176.691 175.369 1.322 17811 9784 1 10 . 1 1 137 137 VAL CA C 137 60.216 60.216 60.036 0.180 17811 9785 1 10 . 1 1 137 137 VAL CB C 137 33.844 33.844 31.910 1.933 17811 9786 1 10 . 1 1 137 137 VAL H H 137 8.370 8.370 7.803 0.567 17811 9787 1 10 . 1 1 138 138 GLY N N 138 111.577 111.577 109.102 2.475 17811 9788 1 10 . 1 1 138 138 GLY C C 138 169.895 169.895 172.051 -2.156 17811 9789 1 10 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.593 0.896 17811 9790 1 10 . 1 1 138 138 GLY H H 138 8.524 8.524 7.498 1.026 17811 9791 1 10 . 1 1 139 139 ARG N N 139 112.983 112.983 121.559 -8.576 17811 9792 1 10 . 1 1 139 139 ARG HA H 139 4.385 4.385 5.216 -0.831 17811 9793 1 10 . 1 1 139 139 ARG C C 139 175.133 175.133 174.496 0.637 17811 9794 1 10 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.204 -0.043 17811 9795 1 10 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.669 -1.003 17811 9796 1 10 . 1 1 139 139 ARG H H 139 7.603 7.603 8.382 -0.779 17811 9797 1 10 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.401 0.232 17811 9798 1 10 . 1 1 141 141 PRO C C 141 176.503 176.503 178.128 -1.625 17811 9799 1 10 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.386 0.570 17811 9800 1 10 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.499 0.454 17811 9801 1 10 . 1 1 142 142 GLY N N 142 107.144 107.144 110.736 -3.592 17811 9802 1 10 . 1 1 142 142 GLY C C 142 175.076 175.076 174.583 0.493 17811 9803 1 10 . 1 1 142 142 GLY CA C 142 44.530 44.530 44.883 -0.353 17811 9804 1 10 . 1 1 142 142 GLY H H 142 8.228 8.228 8.590 -0.362 17811 9805 1 10 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.382 -0.117 17811 9806 1 10 . 1 1 143 143 ARG C C 143 175.848 175.848 176.301 -0.453 17811 9807 1 10 . 1 1 143 143 ARG CA C 143 55.421 55.421 57.334 -1.913 17811 9808 1 10 . 1 1 143 143 ARG CB C 143 29.118 29.118 31.092 -1.974 17811 9809 1 10 . 1 1 144 144 LYS N N 144 121.850 121.850 118.762 3.088 17811 9810 1 10 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.587 -0.528 17811 9811 1 10 . 1 1 144 144 LYS C C 144 175.152 175.152 174.633 0.519 17811 9812 1 10 . 1 1 144 144 LYS CA C 144 56.312 56.312 54.790 1.522 17811 9813 1 10 . 1 1 144 144 LYS CB C 144 32.611 32.611 35.457 -2.846 17811 9814 1 10 . 1 1 144 144 LYS H H 144 7.542 7.542 8.528 -0.986 17811 9815 1 10 . 1 1 145 145 ASP N N 145 126.413 126.413 122.131 4.282 17811 9816 1 10 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.587 0.116 17811 9817 1 10 . 1 1 145 145 ASP C C 145 176.208 176.208 176.666 -0.458 17811 9818 1 10 . 1 1 145 145 ASP CA C 145 52.339 52.339 53.403 -1.064 17811 9819 1 10 . 1 1 145 145 ASP CB C 145 42.406 42.406 40.793 1.613 17811 9820 1 10 . 1 1 145 145 ASP H H 145 8.507 8.507 8.483 0.024 17811 9821 1 10 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.242 0.431 17811 9822 1 10 . 1 1 146 146 PRO C C 146 177.555 177.555 177.891 -0.336 17811 9823 1 10 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.185 0.443 17811 9824 1 10 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.558 0.984 17811 9825 1 10 . 1 1 147 147 ALA N N 147 119.068 119.068 120.682 -1.614 17811 9826 1 10 . 1 1 147 147 ALA HA H 147 3.996 3.996 3.986 0.010 17811 9827 1 10 . 1 1 147 147 ALA C C 147 179.236 179.236 179.172 0.064 17811 9828 1 10 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.506 0.093 17811 9829 1 10 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.201 0.162 17811 9830 1 10 . 1 1 147 147 ALA H H 147 8.161 8.161 7.893 0.268 17811 9831 1 10 . 1 1 148 148 ALA N N 148 118.488 118.488 119.753 -1.265 17811 9832 1 10 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.110 0.057 17811 9833 1 10 . 1 1 148 148 ALA C C 148 180.397 180.397 179.394 1.003 17811 9834 1 10 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.727 0.461 17811 9835 1 10 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.095 -0.320 17811 9836 1 10 . 1 1 148 148 ALA H H 148 7.210 7.210 7.808 -0.598 17811 9837 1 10 . 1 1 149 149 PHE N N 149 118.247 118.247 117.759 0.488 17811 9838 1 10 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.557 -0.419 17811 9839 1 10 . 1 1 149 149 PHE C C 149 178.080 178.080 177.604 0.476 17811 9840 1 10 . 1 1 149 149 PHE CA C 149 60.353 60.353 59.584 0.769 17811 9841 1 10 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.385 1.446 17811 9842 1 10 . 1 1 149 149 PHE H H 149 8.099 8.099 7.663 0.436 17811 9843 1 10 . 1 1 150 150 VAL N N 150 107.786 107.786 118.391 -10.605 17811 9844 1 10 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.933 -0.096 17811 9845 1 10 . 1 1 150 150 VAL C C 150 174.757 174.757 176.142 -1.385 17811 9846 1 10 . 1 1 150 150 VAL CA C 150 63.847 63.847 63.911 -0.064 17811 9847 1 10 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.629 -0.867 17811 9848 1 10 . 1 1 150 150 VAL H H 150 7.587 7.587 7.956 -0.369 17811 9849 1 10 . 1 1 151 151 LEU N N 151 118.783 118.783 117.635 1.148 17811 9850 1 10 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.479 -0.004 17811 9851 1 10 . 1 1 151 151 LEU C C 151 174.926 174.926 176.206 -1.280 17811 9852 1 10 . 1 1 151 151 LEU CA C 151 53.709 53.709 54.856 -1.147 17811 9853 1 10 . 1 1 151 151 LEU CB C 151 41.036 41.036 42.139 -1.103 17811 9854 1 10 . 1 1 151 151 LEU H H 151 6.914 6.914 7.570 -0.656 17811 9855 1 10 . 1 1 152 152 GLU N N 152 118.356 118.356 117.660 0.696 17811 9856 1 10 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.529 -0.204 17811 9857 1 10 . 1 1 152 152 GLU C C 152 175.752 175.752 174.603 1.149 17811 9858 1 10 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.238 -0.639 17811 9859 1 10 . 1 1 152 152 GLU CB C 152 31.995 31.995 31.050 0.945 17811 9860 1 10 . 1 1 152 152 GLU H H 152 6.823 6.823 7.663 -0.840 17811 9861 1 10 . 1 1 153 153 ASN N N 153 116.805 116.805 123.796 -6.991 17811 9862 1 10 . 1 1 153 153 ASN HA H 153 4.603 4.603 5.021 -0.418 17811 9863 1 10 . 1 1 153 153 ASN C C 153 175.734 175.734 173.921 1.813 17811 9864 1 10 . 1 1 153 153 ASN CA C 153 52.750 52.750 52.901 -0.151 17811 9865 1 10 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.243 -1.399 17811 9866 1 10 . 1 1 153 153 ASN H H 153 8.064 8.064 8.415 -0.351 17811 9867 1 10 . 1 1 154 154 PHE N N 154 116.744 116.744 123.248 -6.504 17811 9868 1 10 . 1 1 154 154 PHE HA H 154 4.325 4.325 4.768 -0.443 17811 9869 1 10 . 1 1 154 154 PHE C C 154 177.142 177.142 172.952 4.190 17811 9870 1 10 . 1 1 154 154 PHE CA C 154 60.148 60.148 57.708 2.440 17811 9871 1 10 . 1 1 154 154 PHE CB C 154 38.776 38.776 39.495 -0.719 17811 9872 1 10 . 1 1 154 154 PHE H H 154 7.410 7.410 8.446 -1.036 17811 9873 1 10 . 1 1 155 155 THR N N 155 113.714 113.714 118.491 -4.777 17811 9874 1 10 . 1 1 155 155 THR HA H 155 4.691 4.691 4.438 0.253 17811 9875 1 10 . 1 1 155 155 THR C C 155 174.870 174.870 174.560 0.310 17811 9876 1 10 . 1 1 155 155 THR CA C 155 61.648 61.648 60.641 1.007 17811 9877 1 10 . 1 1 155 155 THR CB C 155 70.697 70.697 71.561 -0.864 17811 9878 1 10 . 1 1 155 155 THR H H 155 9.356 9.356 7.931 1.425 17811 9879 1 10 . 1 1 156 156 ALA N N 156 122.937 122.937 129.743 -6.806 17811 9880 1 10 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.015 0.324 17811 9881 1 10 . 1 1 156 156 ALA C C 156 180.132 180.132 179.050 1.082 17811 9882 1 10 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.988 1.118 17811 9883 1 10 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.443 -0.491 17811 9884 1 10 . 1 1 156 156 ALA H H 156 8.931 8.931 8.812 0.119 17811 9885 1 10 . 1 1 157 157 ALA N N 157 118.892 118.892 120.340 -1.448 17811 9886 1 10 . 1 1 157 157 ALA HA H 157 4.167 4.167 3.954 0.213 17811 9887 1 10 . 1 1 157 157 ALA C C 157 181.009 181.009 178.562 2.447 17811 9888 1 10 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.425 0.242 17811 9889 1 10 . 1 1 157 157 ALA CB C 157 18.500 18.500 17.967 0.533 17811 9890 1 10 . 1 1 157 157 ALA H H 157 8.248 8.248 8.154 0.094 17811 9891 1 10 . 1 1 158 158 GLU N N 158 118.304 118.304 116.529 1.775 17811 9892 1 10 . 1 1 158 158 GLU HA H 158 3.778 3.778 3.219 0.559 17811 9893 1 10 . 1 1 158 158 GLU C C 158 179.920 179.920 178.914 1.006 17811 9894 1 10 . 1 1 158 158 GLU CA C 158 58.298 58.298 57.950 0.348 17811 9895 1 10 . 1 1 158 158 GLU CB C 158 30.762 30.762 29.256 1.506 17811 9896 1 10 . 1 1 158 158 GLU H H 158 7.486 7.486 7.458 0.028 17811 9897 1 10 . 1 1 159 159 ARG N N 159 118.363 118.363 119.803 -1.440 17811 9898 1 10 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.143 -0.440 17811 9899 1 10 . 1 1 159 159 ARG C C 159 177.793 177.793 178.739 -0.946 17811 9900 1 10 . 1 1 159 159 ARG CA C 159 59.763 59.763 58.267 1.496 17811 9901 1 10 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.799 0.620 17811 9902 1 10 . 1 1 159 159 ARG H H 159 9.117 9.117 7.977 1.140 17811 9903 1 10 . 1 1 160 160 ALA N N 160 118.334 118.334 123.031 -4.697 17811 9904 1 10 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.109 0.073 17811 9905 1 10 . 1 1 160 160 ALA C C 160 178.512 178.512 178.433 0.079 17811 9906 1 10 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.751 -0.426 17811 9907 1 10 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.247 0.527 17811 9908 1 10 . 1 1 160 160 ALA H H 160 7.227 7.227 7.434 -0.207 17811 9909 1 10 . 1 1 161 161 GLU N N 161 114.910 114.910 115.661 -0.751 17811 9910 1 10 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.642 -0.099 17811 9911 1 10 . 1 1 161 161 GLU C C 161 177.085 177.085 177.117 -0.032 17811 9912 1 10 . 1 1 161 161 GLU CA C 161 56.243 56.243 54.981 1.262 17811 9913 1 10 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.507 2.419 17811 9914 1 10 . 1 1 161 161 GLU H H 161 7.705 7.705 7.715 -0.010 17811 9915 1 10 . 1 1 162 162 VAL N N 162 120.126 120.126 121.962 -1.836 17811 9916 1 10 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.810 0.343 17811 9917 1 10 . 1 1 162 162 VAL C C 162 173.208 173.208 175.226 -2.018 17811 9918 1 10 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.999 -0.219 17811 9919 1 10 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.293 0.921 17811 9920 1 10 . 1 1 162 162 VAL H H 162 7.509 7.509 7.456 0.053 17811 9921 1 10 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.218 -0.060 17811 9922 1 10 . 1 1 163 163 PRO C C 163 179.146 179.146 178.540 0.606 17811 9923 1 10 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.362 0.362 17811 9924 1 10 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.027 -0.265 17811 9925 1 10 . 1 1 164 164 THR N N 164 113.503 113.503 116.646 -3.143 17811 9926 1 10 . 1 1 164 164 THR HA H 164 4.295 4.295 4.031 0.264 17811 9927 1 10 . 1 1 164 164 THR C C 164 175.696 175.696 176.670 -0.974 17811 9928 1 10 . 1 1 164 164 THR CA C 164 66.244 66.244 67.151 -0.907 17811 9929 1 10 . 1 1 164 164 THR CB C 164 68.710 68.710 68.413 0.297 17811 9930 1 10 . 1 1 164 164 THR H H 164 7.260 7.260 7.755 -0.495 17811 9931 1 10 . 1 1 165 165 ILE N N 165 124.266 124.266 122.631 1.635 17811 9932 1 10 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.940 -0.215 17811 9933 1 10 . 1 1 165 165 ILE C C 165 177.949 177.949 178.092 -0.143 17811 9934 1 10 . 1 1 165 165 ILE CA C 165 65.148 65.148 64.832 0.316 17811 9935 1 10 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.447 0.986 17811 9936 1 10 . 1 1 165 165 ILE H H 165 7.781 7.781 8.140 -0.359 17811 9937 1 10 . 1 1 166 166 VAL N N 166 117.723 117.723 119.947 -2.224 17811 9938 1 10 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.504 0.007 17811 9939 1 10 . 1 1 166 166 VAL C C 166 178.062 178.062 178.168 -0.106 17811 9940 1 10 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.631 -0.839 17811 9941 1 10 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.223 0.155 17811 9942 1 10 . 1 1 166 166 VAL H H 166 8.605 8.605 8.282 0.323 17811 9943 1 10 . 1 1 167 167 GLU N N 167 119.572 119.572 118.337 1.235 17811 9944 1 10 . 1 1 167 167 GLU HA H 167 3.843 3.843 3.994 -0.151 17811 9945 1 10 . 1 1 167 167 GLU C C 167 179.000 179.000 179.175 -0.175 17811 9946 1 10 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.151 0.654 17811 9947 1 10 . 1 1 167 167 GLU CB C 167 29.186 29.186 28.998 0.188 17811 9948 1 10 . 1 1 167 167 GLU H H 167 7.408 7.408 7.589 -0.181 17811 9949 1 10 . 1 1 168 168 GLN N N 168 118.334 118.334 119.451 -1.117 17811 9950 1 10 . 1 1 168 168 GLN HA H 168 3.967 3.967 3.113 0.854 17811 9951 1 10 . 1 1 168 168 GLN C C 168 179.038 179.038 178.218 0.820 17811 9952 1 10 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.318 1.145 17811 9953 1 10 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.193 0.719 17811 9954 1 10 . 1 1 168 168 GLN H H 168 8.298 8.298 8.088 0.210 17811 9955 1 10 . 1 1 169 169 ALA N N 169 123.008 123.008 121.531 1.477 17811 9956 1 10 . 1 1 169 169 ALA HA H 169 4.062 4.062 3.984 0.078 17811 9957 1 10 . 1 1 169 169 ALA C C 169 180.408 180.408 179.588 0.820 17811 9958 1 10 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.750 0.466 17811 9959 1 10 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.065 1.120 17811 9960 1 10 . 1 1 169 169 ALA H H 169 9.106 9.106 8.235 0.871 17811 9961 1 10 . 1 1 170 170 ALA N N 170 125.275 125.275 121.535 3.740 17811 9962 1 10 . 1 1 170 170 ALA HA H 170 3.930 3.930 3.881 0.049 17811 9963 1 10 . 1 1 170 170 ALA C C 170 178.831 178.831 178.885 -0.054 17811 9964 1 10 . 1 1 170 170 ALA CA C 170 55.969 55.969 55.328 0.642 17811 9965 1 10 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.231 -1.101 17811 9966 1 10 . 1 1 170 170 ALA H H 170 8.364 8.364 8.283 0.081 17811 9967 1 10 . 1 1 171 171 ASP N N 171 120.702 120.702 118.516 2.186 17811 9968 1 10 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.416 -0.163 17811 9969 1 10 . 1 1 171 171 ASP C C 171 179.507 179.507 178.243 1.264 17811 9970 1 10 . 1 1 171 171 ASP CA C 171 57.887 57.887 56.960 0.927 17811 9971 1 10 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.939 -1.204 17811 9972 1 10 . 1 1 171 171 ASP H H 171 8.656 8.656 7.915 0.741 17811 9973 1 10 . 1 1 172 172 ALA N N 172 122.759 122.759 121.839 0.920 17811 9974 1 10 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.141 -0.201 17811 9975 1 10 . 1 1 172 172 ALA C C 172 178.137 178.137 179.583 -1.446 17811 9976 1 10 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.065 -0.055 17811 9977 1 10 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.605 1.265 17811 9978 1 10 . 1 1 172 172 ALA H H 172 9.380 9.380 7.564 1.816 17811 9979 1 10 . 1 1 173 173 THR N N 173 115.154 115.154 115.629 -0.475 17811 9980 1 10 . 1 1 173 173 THR HA H 173 4.430 4.430 3.880 0.550 17811 9981 1 10 . 1 1 173 173 THR C C 173 175.940 175.940 176.879 -0.939 17811 9982 1 10 . 1 1 173 173 THR CA C 173 68.162 68.162 67.519 0.643 17811 9983 1 10 . 1 1 173 173 THR CB C 173 68.162 68.162 68.406 -0.243 17811 9984 1 10 . 1 1 173 173 THR H H 173 7.811 7.811 8.313 -0.502 17811 9985 1 10 . 1 1 174 174 GLU N N 174 118.915 118.915 120.243 -1.328 17811 9986 1 10 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.023 -0.379 17811 9987 1 10 . 1 1 174 174 GLU C C 174 178.475 178.475 178.883 -0.408 17811 9988 1 10 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.435 1.946 17811 9989 1 10 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.369 0.845 17811 9990 1 10 . 1 1 174 174 GLU H H 174 7.832 7.832 8.037 -0.206 17811 9991 1 10 . 1 1 175 175 LEU N N 175 119.457 119.457 120.539 -1.082 17811 9992 1 10 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.237 -0.288 17811 9993 1 10 . 1 1 175 175 LEU C C 175 178.268 178.268 178.461 -0.193 17811 9994 1 10 . 1 1 175 175 LEU CA C 175 58.230 58.230 56.536 1.694 17811 9995 1 10 . 1 1 175 175 LEU CB C 175 42.475 42.475 42.001 0.474 17811 9996 1 10 . 1 1 175 175 LEU H H 175 8.144 8.144 7.428 0.716 17811 9997 1 10 . 1 1 176 176 LEU N N 176 120.413 120.413 120.409 0.004 17811 9998 1 10 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.120 -0.529 17811 9999 1 10 . 1 1 176 176 LEU C C 176 177.799 177.799 179.075 -1.276 17811 10000 1 10 . 1 1 176 176 LEU CA C 176 58.093 58.093 58.373 -0.280 17811 10001 1 10 . 1 1 176 176 LEU CB C 176 41.721 41.721 42.056 -0.334 17811 10002 1 10 . 1 1 176 176 LEU H H 176 7.970 7.970 7.865 0.105 17811 10003 1 10 . 1 1 177 177 ILE N N 177 115.277 115.277 112.279 2.998 17811 10004 1 10 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.944 -0.017 17811 10005 1 10 . 1 1 177 177 ILE C C 177 177.123 177.123 177.929 -0.806 17811 10006 1 10 . 1 1 177 177 ILE CA C 177 65.148 65.148 63.597 1.551 17811 10007 1 10 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.288 1.145 17811 10008 1 10 . 1 1 177 177 ILE H H 177 7.576 7.576 7.432 0.144 17811 10009 1 10 . 1 1 178 178 ALA N N 178 118.887 118.887 123.860 -4.973 17811 10010 1 10 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.114 0.907 17811 10011 1 10 . 1 1 178 178 ALA C C 178 179.901 179.901 178.517 1.384 17811 10012 1 10 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.513 0.155 17811 10013 1 10 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.121 1.503 17811 10014 1 10 . 1 1 178 178 ALA H H 178 8.237 8.237 7.704 0.533 17811 10015 1 10 . 1 1 179 179 GLN N N 179 112.225 112.225 116.002 -3.777 17811 10016 1 10 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.388 0.052 17811 10017 1 10 . 1 1 179 179 GLN C C 179 177.254 177.254 175.771 1.483 17811 10018 1 10 . 1 1 179 179 GLN CA C 179 55.627 55.627 56.033 -0.406 17811 10019 1 10 . 1 1 179 179 GLN CB C 179 30.762 30.762 31.714 -0.952 17811 10020 1 10 . 1 1 179 179 GLN H H 179 8.646 8.646 8.154 0.492 17811 10021 1 10 . 1 1 180 180 GLY N N 180 109.528 109.528 106.641 2.887 17811 10022 1 10 . 1 1 180 180 GLY C C 180 173.095 173.095 173.559 -0.464 17811 10023 1 10 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.256 -1.411 17811 10024 1 10 . 1 1 180 180 GLY H H 180 7.811 7.811 7.604 0.207 17811 10025 1 10 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.427 -0.715 17811 10026 1 10 . 1 1 181 181 LEU C C 181 177.257 177.257 177.952 -0.695 17811 10027 1 10 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.731 2.732 17811 10028 1 10 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.065 0.547 17811 10029 1 10 . 1 1 182 182 GLU N N 182 116.836 116.836 120.496 -3.660 17811 10030 1 10 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.240 -0.013 17811 10031 1 10 . 1 1 182 182 GLU C C 182 176.406 176.406 176.197 0.209 17811 10032 1 10 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.547 1.175 17811 10033 1 10 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.082 -0.362 17811 10034 1 10 . 1 1 182 182 GLU H H 182 8.909 8.909 8.637 0.272 17811 10035 1 10 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.309 -0.072 17811 10036 1 10 . 1 1 183 183 PRO C C 183 179.992 179.992 177.923 2.069 17811 10037 1 10 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.324 -0.107 17811 10038 1 10 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.037 0.136 17811 10039 1 10 . 1 1 184 184 ALA N N 184 118.151 118.151 121.357 -3.206 17811 10040 1 10 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.100 -0.265 17811 10041 1 10 . 1 1 184 184 ALA C C 184 179.526 179.526 179.536 -0.010 17811 10042 1 10 . 1 1 184 184 ALA CA C 184 55.490 55.490 54.748 0.742 17811 10043 1 10 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.495 -0.337 17811 10044 1 10 . 1 1 184 184 ALA H H 184 7.350 7.350 7.610 -0.260 17811 10045 1 10 . 1 1 185 185 GLN N N 185 118.148 118.148 117.211 0.937 17811 10046 1 10 . 1 1 185 185 GLN HA H 185 3.006 3.006 3.999 -0.993 17811 10047 1 10 . 1 1 185 185 GLN C C 185 177.555 177.555 178.191 -0.636 17811 10048 1 10 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.538 0.445 17811 10049 1 10 . 1 1 185 185 GLN CB C 185 28.775 28.775 27.992 0.783 17811 10050 1 10 . 1 1 185 185 GLN H H 185 8.848 8.848 8.481 0.367 17811 10051 1 10 . 1 1 186 186 ASN N N 186 115.032 115.032 118.631 -3.599 17811 10052 1 10 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.152 0.009 17811 10053 1 10 . 1 1 186 186 ASN C C 186 177.160 177.160 177.642 -0.482 17811 10054 1 10 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.637 0.401 17811 10055 1 10 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.522 -0.294 17811 10056 1 10 . 1 1 186 186 ASN H H 186 7.537 7.537 7.818 -0.281 17811 10057 1 10 . 1 1 187 187 THR N N 187 114.421 114.421 117.498 -3.077 17811 10058 1 10 . 1 1 187 187 THR HA H 187 3.864 3.864 4.050 -0.186 17811 10059 1 10 . 1 1 187 187 THR C C 187 174.739 174.739 175.947 -1.208 17811 10060 1 10 . 1 1 187 187 THR CA C 187 65.422 65.422 65.960 -0.538 17811 10061 1 10 . 1 1 187 187 THR CB C 187 69.532 69.532 68.478 1.054 17811 10062 1 10 . 1 1 187 187 THR H H 187 7.120 7.120 7.657 -0.537 17811 10063 1 10 . 1 1 188 188 VAL N N 188 119.580 119.580 119.140 0.440 17811 10064 1 10 . 1 1 188 188 VAL HA H 188 4.385 4.385 3.726 0.659 17811 10065 1 10 . 1 1 188 188 VAL C C 188 178.043 178.043 176.188 1.855 17811 10066 1 10 . 1 1 188 188 VAL CA C 188 64.326 64.326 66.656 -2.330 17811 10067 1 10 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.577 0.281 17811 10068 1 10 . 1 1 188 188 VAL H H 188 8.333 8.333 7.907 0.426 17811 10069 1 10 . 1 1 189 189 HIS N N 189 115.949 115.949 113.463 2.486 17811 10070 1 10 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.652 0.018 17811 10071 1 10 . 1 1 189 189 HIS C C 189 175.114 175.114 175.039 0.075 17811 10072 1 10 . 1 1 189 189 HIS CA C 189 56.312 56.312 55.363 0.949 17811 10073 1 10 . 1 1 189 189 HIS CB C 189 27.474 27.474 29.361 -1.887 17811 10074 1 10 . 1 1 189 189 HIS H H 189 8.674 8.674 7.277 1.397 17811 10075 1 10 . 1 1 190 190 ALA N N 190 120.346 120.346 122.919 -2.573 17811 10076 1 10 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.305 0.279 17811 10077 1 10 . 1 1 190 190 ALA C C 190 177.906 177.906 177.527 0.379 17811 10078 1 10 . 1 1 190 190 ALA CA C 190 51.791 51.791 52.662 -0.871 17811 10079 1 10 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.373 0.292 17811 10080 1 10 . 1 1 190 190 ALA H H 190 6.983 6.983 7.908 -0.925 17811 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 163 3.658 0.541 3.629 17811 2 1 1 "Average Difference" HA 205 0.473 0.106 0.462 17811 3 1 1 "Average Difference" C 182 1.265 -0.012 1.268 17811 4 1 1 "Average Difference" CA 182 1.334 -0.336 1.294 17811 5 1 1 "Average Difference" CB 159 1.286 -0.477 1.198 17811 6 1 1 "Average Difference" HN 163 0.658 -0.110 0.651 17811 7 1 2 "Average Difference" N 163 3.701 0.505 3.678 17811 8 1 2 "Average Difference" HA 205 0.467 0.056 0.465 17811 9 1 2 "Average Difference" C 182 1.271 -0.001 1.275 17811 10 1 2 "Average Difference" CA 182 1.384 -0.360 1.340 17811 11 1 2 "Average Difference" CB 159 1.391 -0.474 1.312 17811 12 1 2 "Average Difference" HN 163 0.696 -0.158 0.679 17811 13 1 3 "Average Difference" N 163 3.613 0.521 3.586 17811 14 1 3 "Average Difference" HA 205 0.439 0.070 0.435 17811 15 1 3 "Average Difference" C 182 1.284 -0.000 1.288 17811 16 1 3 "Average Difference" CA 182 1.424 -0.335 1.388 17811 17 1 3 "Average Difference" CB 159 1.366 -0.437 1.298 17811 18 1 3 "Average Difference" HN 163 0.634 -0.134 0.622 17811 19 1 4 "Average Difference" N 163 3.749 0.552 3.719 17811 20 1 4 "Average Difference" HA 205 0.424 0.077 0.418 17811 21 1 4 "Average Difference" C 182 1.279 0.010 1.283 17811 22 1 4 "Average Difference" CA 182 1.325 -0.293 1.296 17811 23 1 4 "Average Difference" CB 159 1.425 -0.422 1.365 17811 24 1 4 "Average Difference" HN 163 0.727 -0.120 0.719 17811 25 1 5 "Average Difference" N 163 3.460 0.827 3.370 17811 26 1 5 "Average Difference" HA 205 0.461 0.077 0.456 17811 27 1 5 "Average Difference" C 182 1.396 -0.021 1.400 17811 28 1 5 "Average Difference" CA 182 1.341 -0.372 1.292 17811 29 1 5 "Average Difference" CB 159 1.444 -0.440 1.380 17811 30 1 5 "Average Difference" HN 163 0.690 -0.126 0.680 17811 31 1 6 "Average Difference" N 163 3.426 0.617 3.380 17811 32 1 6 "Average Difference" HA 205 0.428 0.064 0.424 17811 33 1 6 "Average Difference" C 182 1.231 -0.053 1.234 17811 34 1 6 "Average Difference" CA 182 1.338 -0.344 1.297 17811 35 1 6 "Average Difference" CB 159 1.296 -0.496 1.201 17811 36 1 6 "Average Difference" HN 163 0.682 -0.156 0.666 17811 37 1 7 "Average Difference" N 163 3.558 0.494 3.535 17811 38 1 7 "Average Difference" HA 205 0.460 0.079 0.455 17811 39 1 7 "Average Difference" C 182 1.306 -0.028 1.309 17811 40 1 7 "Average Difference" CA 182 1.305 -0.358 1.259 17811 41 1 7 "Average Difference" CB 159 1.366 -0.450 1.294 17811 42 1 7 "Average Difference" HN 163 0.664 -0.137 0.652 17811 43 1 8 "Average Difference" N 163 3.470 0.505 3.444 17811 44 1 8 "Average Difference" HA 205 0.470 0.071 0.466 17811 45 1 8 "Average Difference" C 182 1.227 -0.038 1.230 17811 46 1 8 "Average Difference" CA 182 1.288 -0.287 1.259 17811 47 1 8 "Average Difference" CB 159 1.340 -0.525 1.236 17811 48 1 8 "Average Difference" HN 163 0.712 -0.167 0.695 17811 49 1 9 "Average Difference" N 163 3.523 0.386 3.512 17811 50 1 9 "Average Difference" HA 205 0.467 0.064 0.463 17811 51 1 9 "Average Difference" C 182 1.322 -0.044 1.325 17811 52 1 9 "Average Difference" CA 182 1.337 -0.366 1.290 17811 53 1 9 "Average Difference" CB 159 1.337 -0.424 1.272 17811 54 1 9 "Average Difference" HN 163 0.682 -0.204 0.653 17811 55 1 10 "Average Difference" N 163 3.314 0.649 3.260 17811 56 1 10 "Average Difference" HA 205 0.448 0.045 0.447 17811 57 1 10 "Average Difference" C 182 1.299 -0.019 1.303 17811 58 1 10 "Average Difference" CA 182 1.240 -0.310 1.204 17811 59 1 10 "Average Difference" CB 159 1.394 -0.438 1.327 17811 60 1 10 "Average Difference" HN 163 0.688 -0.145 0.675 17811 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 17811 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 125.183 125.183 125.344 -0.161 17811 2 1 . 1 1 2 2 ALA HA H 2 4.177 4.177 4.593 -0.416 17811 3 1 . 1 1 2 2 ALA C C 2 174.029 174.029 176.609 -2.580 17811 4 1 . 1 1 2 2 ALA CA C 2 51.859 51.859 51.879 -0.020 17811 5 1 . 1 1 2 2 ALA CB C 2 19.596 19.596 19.492 0.104 17811 6 1 . 1 1 2 2 ALA H H 2 8.096 8.096 8.322 -0.226 17811 7 1 . 1 1 3 3 GLU N N 3 113.075 113.075 121.883 -8.808 17811 8 1 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.609 -0.410 17811 9 1 . 1 1 3 3 GLU C C 3 175.812 175.812 174.349 1.463 17811 10 1 . 1 1 3 3 GLU CA C 3 53.503 53.503 53.355 0.148 17811 11 1 . 1 1 3 3 GLU CB C 3 31.584 31.584 30.015 1.569 17811 12 1 . 1 1 3 3 GLU H H 3 7.483 7.483 8.315 -0.832 17811 13 1 . 1 1 4 4 PRO HA H 4 4.775 4.775 4.686 0.089 17811 14 1 . 1 1 4 4 PRO C C 4 174.213 174.213 176.151 -1.938 17811 15 1 . 1 1 4 4 PRO CA C 4 62.271 62.271 62.614 -0.343 17811 16 1 . 1 1 4 4 PRO CB C 4 34.529 34.529 31.890 2.639 17811 17 1 . 1 1 5 5 LEU N N 5 120.181 120.181 123.668 -3.487 17811 18 1 . 1 1 5 5 LEU HA H 5 4.300 4.300 4.497 -0.197 17811 19 1 . 1 1 5 5 LEU C C 5 174.926 174.926 176.032 -1.106 17811 20 1 . 1 1 5 5 LEU CA C 5 54.188 54.188 53.739 0.449 17811 21 1 . 1 1 5 5 LEU CB C 5 45.694 45.694 43.132 2.562 17811 22 1 . 1 1 5 5 LEU H H 5 7.953 7.953 8.287 -0.334 17811 23 1 . 1 1 6 6 LEU N N 6 124.663 124.663 124.678 -0.015 17811 24 1 . 1 1 6 6 LEU HA H 6 5.287 5.287 4.871 0.416 17811 25 1 . 1 1 6 6 LEU C C 6 173.293 173.293 175.183 -1.890 17811 26 1 . 1 1 6 6 LEU CA C 6 52.887 52.887 53.781 -0.894 17811 27 1 . 1 1 6 6 LEU CB C 6 45.694 45.694 43.476 2.218 17811 28 1 . 1 1 6 6 LEU H H 6 8.456 8.456 8.576 -0.120 17811 29 1 . 1 1 7 7 VAL N N 7 128.364 128.364 128.339 0.025 17811 30 1 . 1 1 7 7 VAL HA H 7 4.999 4.999 4.773 0.226 17811 31 1 . 1 1 7 7 VAL C C 7 174.006 174.006 174.682 -0.676 17811 32 1 . 1 1 7 7 VAL CA C 7 60.353 60.353 61.074 -0.721 17811 33 1 . 1 1 7 7 VAL CB C 7 32.698 32.698 32.710 -0.012 17811 34 1 . 1 1 7 7 VAL H H 7 9.456 9.456 9.014 0.442 17811 35 1 . 1 1 8 8 VAL N N 8 126.000 126.000 126.645 -0.645 17811 36 1 . 1 1 8 8 VAL HA H 8 5.054 5.054 4.745 0.309 17811 37 1 . 1 1 8 8 VAL C C 8 175.433 175.433 175.148 0.285 17811 38 1 . 1 1 8 8 VAL CA C 8 59.737 59.737 60.258 -0.521 17811 39 1 . 1 1 8 8 VAL CB C 8 35.556 35.556 33.463 2.093 17811 40 1 . 1 1 8 8 VAL H H 8 9.571 9.571 8.779 0.792 17811 41 1 . 1 1 9 9 GLY N N 9 112.757 112.757 113.002 -0.245 17811 42 1 . 1 1 9 9 GLY C C 9 171.378 171.378 172.695 -1.317 17811 43 1 . 1 1 9 9 GLY CA C 9 44.804 44.804 43.635 1.169 17811 44 1 . 1 1 9 9 GLY H H 9 8.692 8.692 8.233 0.459 17811 45 1 . 1 1 10 10 LEU N N 10 119.466 119.466 122.361 -2.895 17811 46 1 . 1 1 10 10 LEU HA H 10 4.733 4.733 4.424 0.309 17811 47 1 . 1 1 10 10 LEU C C 10 175.715 175.715 176.363 -0.648 17811 48 1 . 1 1 10 10 LEU CA C 10 54.188 54.188 54.535 -0.346 17811 49 1 . 1 1 10 10 LEU CB C 10 42.543 42.543 42.243 0.300 17811 50 1 . 1 1 10 10 LEU H H 10 7.147 7.147 8.121 -0.974 17811 51 1 . 1 1 11 11 GLY N N 11 109.192 109.192 110.910 -1.718 17811 52 1 . 1 1 11 11 GLY C C 11 170.233 170.233 172.802 -2.569 17811 53 1 . 1 1 11 11 GLY CA C 11 44.393 44.393 44.364 0.029 17811 54 1 . 1 1 11 11 GLY H H 11 7.281 7.281 8.221 -0.940 17811 55 1 . 1 1 12 12 ASN N N 12 115.701 115.701 117.180 -1.479 17811 56 1 . 1 1 12 12 ASN HA H 12 4.762 4.762 5.000 -0.238 17811 57 1 . 1 1 12 12 ASN C C 12 173.746 173.746 173.801 -0.055 17811 58 1 . 1 1 12 12 ASN CA C 12 49.941 49.941 50.336 -0.395 17811 59 1 . 1 1 12 12 ASN CB C 12 41.516 41.516 39.360 2.156 17811 60 1 . 1 1 12 12 ASN H H 12 8.946 8.946 8.093 0.853 17811 61 1 . 1 1 13 13 PRO HA H 13 4.415 4.415 4.541 -0.126 17811 62 1 . 1 1 13 13 PRO C C 13 177.498 177.498 176.439 1.060 17811 63 1 . 1 1 13 13 PRO CA C 13 62.254 62.254 62.765 -0.511 17811 64 1 . 1 1 13 13 PRO CB C 13 31.926 31.926 32.114 -0.188 17811 65 1 . 1 1 14 14 GLY N N 14 108.978 108.978 107.070 1.908 17811 66 1 . 1 1 14 14 GLY C C 14 174.878 174.878 172.651 2.227 17811 67 1 . 1 1 14 14 GLY CA C 14 47.133 47.133 44.318 2.815 17811 68 1 . 1 1 14 14 GLY H H 14 8.464 8.464 7.597 0.867 17811 69 1 . 1 1 16 16 THR HA H 16 4.265 4.265 4.068 0.197 17811 70 1 . 1 1 16 16 THR C C 16 175.848 175.848 176.126 -0.278 17811 71 1 . 1 1 16 16 THR CA C 16 65.148 65.148 65.088 0.060 17811 72 1 . 1 1 16 16 THR CB C 16 68.505 68.505 68.119 0.386 17811 73 1 . 1 1 17 17 TYR N N 17 117.133 117.133 120.488 -3.355 17811 74 1 . 1 1 17 17 TYR HA H 17 4.656 4.656 4.627 0.029 17811 75 1 . 1 1 17 17 TYR C C 17 177.649 177.649 177.226 0.423 17811 76 1 . 1 1 17 17 TYR CA C 17 58.367 58.367 59.058 -0.691 17811 77 1 . 1 1 17 17 TYR CB C 17 39.324 39.324 37.362 1.962 17811 78 1 . 1 1 17 17 TYR H H 17 7.025 7.025 7.992 -0.967 17811 79 1 . 1 1 18 18 ALA N N 18 122.126 122.126 120.564 1.561 17811 80 1 . 1 1 18 18 ALA HA H 18 4.354 4.354 4.300 0.054 17811 81 1 . 1 1 18 18 ALA C C 18 178.212 178.212 177.778 0.434 17811 82 1 . 1 1 18 18 ALA CA C 18 55.627 55.627 53.592 2.035 17811 83 1 . 1 1 18 18 ALA CB C 18 19.939 19.939 18.345 1.594 17811 84 1 . 1 1 18 18 ALA H H 18 7.100 7.100 7.595 -0.495 17811 85 1 . 1 1 19 19 LYS N N 19 115.311 115.311 117.350 -2.039 17811 86 1 . 1 1 19 19 LYS HA H 19 4.683 4.683 4.524 0.159 17811 87 1 . 1 1 19 19 LYS C C 19 175.640 175.640 176.093 -0.453 17811 88 1 . 1 1 19 19 LYS CA C 19 54.942 54.942 55.331 -0.389 17811 89 1 . 1 1 19 19 LYS CB C 19 32.063 32.063 32.126 -0.063 17811 90 1 . 1 1 19 19 LYS H H 19 8.648 8.648 7.716 0.932 17811 91 1 . 1 1 20 20 THR N N 20 108.478 108.478 110.263 -1.785 17811 92 1 . 1 1 20 20 THR HA H 20 4.392 4.392 4.844 -0.452 17811 93 1 . 1 1 20 20 THR C C 20 175.752 175.752 175.571 0.181 17811 94 1 . 1 1 20 20 THR CA C 20 60.970 60.970 59.683 1.287 17811 95 1 . 1 1 20 20 THR CB C 20 72.932 72.932 71.472 1.460 17811 96 1 . 1 1 20 20 THR H H 20 7.349 7.349 7.545 -0.196 17811 97 1 . 1 1 21 21 ARG N N 21 117.638 117.638 120.383 -2.745 17811 98 1 . 1 1 21 21 ARG HA H 21 3.706 3.706 4.346 -0.640 17811 99 1 . 1 1 21 21 ARG C C 21 177.480 177.480 176.885 0.595 17811 100 1 . 1 1 21 21 ARG CA C 21 60.083 60.083 56.966 3.117 17811 101 1 . 1 1 21 21 ARG CB C 21 29.957 29.957 29.855 0.103 17811 102 1 . 1 1 21 21 ARG H H 21 7.011 7.011 8.931 -1.920 17811 103 1 . 1 1 22 22 HIS N N 22 115.074 115.074 116.521 -1.447 17811 104 1 . 1 1 22 22 HIS HA H 22 3.861 3.861 4.696 -0.835 17811 105 1 . 1 1 22 22 HIS C C 22 173.274 173.274 174.856 -1.582 17811 106 1 . 1 1 22 22 HIS CA C 22 53.434 53.434 56.978 -3.544 17811 107 1 . 1 1 22 22 HIS CB C 22 29.460 29.460 29.932 -0.472 17811 108 1 . 1 1 22 22 HIS H H 22 8.162 8.162 8.072 0.090 17811 109 1 . 1 1 23 23 ASN N N 23 116.439 116.439 117.508 -1.069 17811 110 1 . 1 1 23 23 ASN HA H 23 4.785 4.785 4.902 -0.118 17811 111 1 . 1 1 23 23 ASN C C 23 177.104 177.104 175.898 1.206 17811 112 1 . 1 1 23 23 ASN CA C 23 53.024 53.024 52.551 0.473 17811 113 1 . 1 1 23 23 ASN CB C 23 38.776 38.776 38.358 0.418 17811 114 1 . 1 1 23 23 ASN H H 23 7.730 7.730 7.802 -0.072 17811 115 1 . 1 1 24 24 LEU N N 24 123.226 123.226 119.316 3.910 17811 116 1 . 1 1 24 24 LEU HA H 24 4.346 4.346 4.201 0.145 17811 117 1 . 1 1 24 24 LEU C C 24 178.681 178.681 178.306 0.375 17811 118 1 . 1 1 24 24 LEU CA C 24 59.531 59.531 57.852 1.680 17811 119 1 . 1 1 24 24 LEU CB C 24 43.982 43.982 40.627 3.355 17811 120 1 . 1 1 24 24 LEU H H 24 7.939 7.939 7.490 0.449 17811 121 1 . 1 1 25 25 GLY N N 25 104.146 104.146 108.126 -3.980 17811 122 1 . 1 1 25 25 GLY C C 25 176.635 176.635 175.748 0.887 17811 123 1 . 1 1 25 25 GLY CA C 25 48.640 48.640 47.148 1.492 17811 124 1 . 1 1 25 25 GLY H H 25 9.209 9.209 8.069 1.140 17811 125 1 . 1 1 26 26 PHE N N 26 123.654 123.654 122.504 1.150 17811 126 1 . 1 1 26 26 PHE HA H 26 4.120 4.120 4.230 -0.110 17811 127 1 . 1 1 26 26 PHE C C 26 177.498 177.498 177.084 0.414 17811 128 1 . 1 1 26 26 PHE CA C 26 58.778 58.778 60.889 -2.111 17811 129 1 . 1 1 26 26 PHE CB C 26 37.269 37.269 39.237 -1.968 17811 130 1 . 1 1 26 26 PHE H H 26 7.089 7.089 7.901 -0.812 17811 131 1 . 1 1 27 27 MET N N 27 117.508 117.508 118.284 -0.776 17811 132 1 . 1 1 27 27 MET HA H 27 4.257 4.257 4.132 0.125 17811 133 1 . 1 1 27 27 MET C C 27 179.977 179.977 178.493 1.484 17811 134 1 . 1 1 27 27 MET CA C 27 59.839 59.839 58.224 1.615 17811 135 1 . 1 1 27 27 MET CB C 27 33.377 33.377 32.009 1.368 17811 136 1 . 1 1 27 27 MET H H 27 8.061 8.061 7.712 0.349 17811 137 1 . 1 1 28 28 VAL N N 28 119.068 119.068 119.049 0.019 17811 138 1 . 1 1 28 28 VAL HA H 28 3.622 3.622 3.645 -0.023 17811 139 1 . 1 1 28 28 VAL C C 28 177.818 177.818 177.695 0.123 17811 140 1 . 1 1 28 28 VAL CA C 28 65.970 65.970 66.097 -0.127 17811 141 1 . 1 1 28 28 VAL CB C 28 32.063 32.063 31.102 0.961 17811 142 1 . 1 1 28 28 VAL H H 28 8.325 8.325 8.340 -0.015 17811 143 1 . 1 1 29 29 ALA N N 29 123.327 123.327 121.604 1.723 17811 144 1 . 1 1 29 29 ALA HA H 29 4.028 4.028 3.921 0.107 17811 145 1 . 1 1 29 29 ALA C C 29 178.831 178.831 179.135 -0.304 17811 146 1 . 1 1 29 29 ALA CA C 29 56.038 56.038 55.176 0.862 17811 147 1 . 1 1 29 29 ALA CB C 29 17.473 17.473 18.092 -0.619 17811 148 1 . 1 1 29 29 ALA H H 29 8.647 8.647 7.906 0.741 17811 149 1 . 1 1 30 30 ASP N N 30 118.148 118.148 118.417 -0.268 17811 150 1 . 1 1 30 30 ASP HA H 30 4.679 4.679 4.340 0.339 17811 151 1 . 1 1 30 30 ASP C C 30 180.089 180.089 178.275 1.814 17811 152 1 . 1 1 30 30 ASP CA C 30 58.161 58.161 57.468 0.693 17811 153 1 . 1 1 30 30 ASP CB C 30 39.666 39.666 40.935 -1.269 17811 154 1 . 1 1 30 30 ASP H H 30 8.574 8.574 7.651 0.923 17811 155 1 . 1 1 31 31 VAL N N 31 123.410 123.410 117.125 6.285 17811 156 1 . 1 1 31 31 VAL HA H 31 3.795 3.795 3.860 -0.065 17811 157 1 . 1 1 31 31 VAL C C 31 180.070 180.070 177.664 2.406 17811 158 1 . 1 1 31 31 VAL CA C 31 66.724 66.724 65.623 1.101 17811 159 1 . 1 1 31 31 VAL CB C 31 31.584 31.584 31.449 0.135 17811 160 1 . 1 1 31 31 VAL H H 31 7.482 7.482 7.663 -0.181 17811 161 1 . 1 1 32 32 LEU N N 32 121.772 121.772 118.172 3.600 17811 162 1 . 1 1 32 32 LEU HA H 32 3.866 3.866 4.217 -0.351 17811 163 1 . 1 1 32 32 LEU C C 32 178.249 178.249 178.657 -0.408 17811 164 1 . 1 1 32 32 LEU CA C 32 58.367 58.367 57.512 0.855 17811 165 1 . 1 1 32 32 LEU CB C 32 42.269 42.269 40.443 1.826 17811 166 1 . 1 1 32 32 LEU H H 32 8.785 8.785 7.695 1.090 17811 167 1 . 1 1 33 33 ALA N N 33 122.901 122.901 121.938 0.963 17811 168 1 . 1 1 33 33 ALA HA H 33 3.610 3.610 4.090 -0.480 17811 169 1 . 1 1 33 33 ALA C C 33 179.808 179.808 179.627 0.181 17811 170 1 . 1 1 33 33 ALA CA C 33 55.832 55.832 54.890 0.942 17811 171 1 . 1 1 33 33 ALA CB C 33 18.569 18.569 18.113 0.456 17811 172 1 . 1 1 33 33 ALA H H 33 8.711 8.711 7.688 1.023 17811 173 1 . 1 1 34 34 GLY N N 34 105.309 105.309 105.299 0.010 17811 174 1 . 1 1 34 34 GLY C C 34 176.184 176.184 176.046 0.138 17811 175 1 . 1 1 34 34 GLY CA C 34 46.790 46.790 46.361 0.430 17811 176 1 . 1 1 34 34 GLY H H 34 7.665 7.665 8.000 -0.335 17811 177 1 . 1 1 35 35 ARG N N 35 121.117 121.117 119.692 1.425 17811 178 1 . 1 1 35 35 ARG HA H 35 4.115 4.115 4.186 -0.071 17811 179 1 . 1 1 35 35 ARG C C 35 178.812 178.812 177.726 1.086 17811 180 1 . 1 1 35 35 ARG CA C 35 59.394 59.394 57.497 1.897 17811 181 1 . 1 1 35 35 ARG CB C 35 29.666 29.666 29.850 -0.184 17811 182 1 . 1 1 35 35 ARG H H 35 7.623 7.623 7.421 0.202 17811 183 1 . 1 1 36 36 ILE N N 36 120.413 120.413 117.464 2.949 17811 184 1 . 1 1 36 36 ILE HA H 36 3.722 3.722 4.062 -0.340 17811 185 1 . 1 1 36 36 ILE C C 36 177.142 177.142 176.463 0.679 17811 186 1 . 1 1 36 36 ILE CA C 36 64.600 64.600 61.204 3.396 17811 187 1 . 1 1 36 36 ILE CB C 36 38.776 38.776 38.500 0.276 17811 188 1 . 1 1 36 36 ILE H H 36 7.950 7.950 7.582 0.368 17811 189 1 . 1 1 37 37 GLY N N 37 107.419 107.419 108.543 -1.124 17811 190 1 . 1 1 37 37 GLY C C 37 174.307 174.307 174.150 0.157 17811 191 1 . 1 1 37 37 GLY CA C 37 45.420 45.420 44.896 0.524 17811 192 1 . 1 1 37 37 GLY H H 37 8.305 8.305 7.620 0.685 17811 193 1 . 1 1 38 38 SER N N 38 113.320 113.320 117.219 -3.899 17811 194 1 . 1 1 38 38 SER HA H 38 4.683 4.683 4.727 -0.043 17811 195 1 . 1 1 38 38 SER C C 38 171.472 171.472 172.872 -1.400 17811 196 1 . 1 1 38 38 SER CA C 38 56.654 56.654 57.779 -1.125 17811 197 1 . 1 1 38 38 SER CB C 38 66.244 66.244 65.056 1.188 17811 198 1 . 1 1 38 38 SER H H 38 7.101 7.101 7.948 -0.847 17811 199 1 . 1 1 39 39 ALA N N 39 123.838 123.838 126.927 -3.089 17811 200 1 . 1 1 39 39 ALA HA H 39 4.402 4.402 4.672 -0.270 17811 201 1 . 1 1 39 39 ALA C C 39 177.708 177.708 175.808 1.900 17811 202 1 . 1 1 39 39 ALA CA C 39 50.695 50.695 51.764 -1.069 17811 203 1 . 1 1 39 39 ALA CB C 39 20.624 20.624 20.967 -0.343 17811 204 1 . 1 1 39 39 ALA H H 39 8.032 8.032 8.333 -0.301 17811 205 1 . 1 1 40 40 PHE N N 40 118.117 118.117 120.917 -2.800 17811 206 1 . 1 1 40 40 PHE HA H 40 4.039 4.039 5.052 -1.013 17811 207 1 . 1 1 40 40 PHE C C 40 176.672 176.672 174.793 1.879 17811 208 1 . 1 1 40 40 PHE CA C 40 59.942 59.942 56.776 3.166 17811 209 1 . 1 1 40 40 PHE CB C 40 40.694 40.694 41.276 -0.582 17811 210 1 . 1 1 40 40 PHE H H 40 8.066 8.066 8.414 -0.348 17811 211 1 . 1 1 41 41 LYS N N 41 120.915 120.915 120.165 0.750 17811 212 1 . 1 1 41 41 LYS HA H 41 4.762 4.762 4.642 0.120 17811 213 1 . 1 1 41 41 LYS C C 41 176.034 176.034 175.014 1.020 17811 214 1 . 1 1 41 41 LYS CA C 41 54.736 54.736 54.693 0.043 17811 215 1 . 1 1 41 41 LYS CB C 41 36.310 36.310 35.090 1.220 17811 216 1 . 1 1 41 41 LYS H H 41 8.593 8.593 8.328 0.265 17811 217 1 . 1 1 42 42 VAL N N 42 123.504 123.504 121.702 1.802 17811 218 1 . 1 1 42 42 VAL HA H 42 3.832 3.832 4.212 -0.380 17811 219 1 . 1 1 42 42 VAL C C 42 175.377 175.377 175.372 0.005 17811 220 1 . 1 1 42 42 VAL CA C 42 64.874 64.874 62.748 2.126 17811 221 1 . 1 1 42 42 VAL CB C 42 31.926 31.926 31.874 0.052 17811 222 1 . 1 1 42 42 VAL H H 42 8.707 8.707 8.532 0.175 17811 223 1 . 1 1 43 43 HIS N N 43 132.195 132.195 128.868 3.327 17811 224 1 . 1 1 43 43 HIS HA H 43 4.525 4.525 4.729 -0.204 17811 225 1 . 1 1 43 43 HIS C C 43 175.104 175.104 174.205 0.899 17811 226 1 . 1 1 43 43 HIS CA C 43 56.106 56.106 54.862 1.244 17811 227 1 . 1 1 43 43 HIS CB C 43 31.721 31.721 31.180 0.540 17811 228 1 . 1 1 43 43 HIS H H 43 9.354 9.354 8.501 0.853 17811 229 1 . 1 1 45 45 LYS HA H 45 3.940 3.940 4.128 -0.188 17811 230 1 . 1 1 45 45 LYS C C 45 177.001 177.001 176.362 0.639 17811 231 1 . 1 1 45 45 LYS CA C 45 58.367 58.367 57.485 0.882 17811 232 1 . 1 1 45 45 LYS CB C 45 32.200 32.200 32.299 -0.099 17811 233 1 . 1 1 46 46 SER N N 46 111.577 111.577 114.414 -2.837 17811 234 1 . 1 1 46 46 SER HA H 46 4.414 4.414 4.570 -0.156 17811 235 1 . 1 1 46 46 SER C C 46 174.926 174.926 175.579 -0.653 17811 236 1 . 1 1 46 46 SER CA C 46 60.011 60.011 58.590 1.421 17811 237 1 . 1 1 46 46 SER CB C 46 65.354 65.354 63.986 1.368 17811 238 1 . 1 1 46 46 SER H H 46 7.746 7.746 8.196 -0.450 17811 239 1 . 1 1 47 47 GLY N N 47 112.402 112.402 109.321 3.081 17811 240 1 . 1 1 47 47 GLY C C 47 173.180 173.180 173.575 -0.395 17811 241 1 . 1 1 47 47 GLY CA C 47 45.215 45.215 44.849 0.366 17811 242 1 . 1 1 47 47 GLY H H 47 8.692 8.692 8.294 0.398 17811 243 1 . 1 1 48 48 ALA N N 48 120.322 120.322 123.205 -2.883 17811 244 1 . 1 1 48 48 ALA HA H 48 4.416 4.416 4.530 -0.114 17811 245 1 . 1 1 48 48 ALA C C 48 175.621 175.621 176.451 -0.830 17811 246 1 . 1 1 48 48 ALA CA C 48 51.585 51.585 51.386 0.199 17811 247 1 . 1 1 48 48 ALA CB C 48 19.802 19.802 20.447 -0.646 17811 248 1 . 1 1 48 48 ALA H H 48 7.740 7.740 8.103 -0.363 17811 249 1 . 1 1 49 49 GLU N N 49 116.907 116.907 120.814 -3.907 17811 250 1 . 1 1 49 49 GLU HA H 49 4.926 4.926 4.755 0.171 17811 251 1 . 1 1 49 49 GLU C C 49 176.184 176.184 175.458 0.726 17811 252 1 . 1 1 49 49 GLU CA C 49 55.558 55.558 56.319 -0.761 17811 253 1 . 1 1 49 49 GLU CB C 49 31.858 31.858 30.720 1.138 17811 254 1 . 1 1 49 49 GLU H H 49 8.262 8.262 8.265 -0.004 17811 255 1 . 1 1 50 50 VAL N N 50 117.403 117.403 121.897 -4.494 17811 256 1 . 1 1 50 50 VAL HA H 50 5.840 5.840 5.223 0.617 17811 257 1 . 1 1 50 50 VAL C C 50 176.053 176.053 174.210 1.842 17811 258 1 . 1 1 50 50 VAL CA C 50 60.011 60.011 59.987 0.024 17811 259 1 . 1 1 50 50 VAL CB C 50 38.091 38.091 35.212 2.879 17811 260 1 . 1 1 50 50 VAL H H 50 9.223 9.223 8.540 0.683 17811 261 1 . 1 1 51 51 VAL N N 51 125.278 125.278 124.921 0.357 17811 262 1 . 1 1 51 51 VAL HA H 51 4.151 4.151 4.449 -0.298 17811 263 1 . 1 1 51 51 VAL C C 51 173.706 173.706 174.166 -0.459 17811 264 1 . 1 1 51 51 VAL CA C 51 61.449 61.449 60.001 1.448 17811 265 1 . 1 1 51 51 VAL CB C 51 35.899 35.899 34.853 1.046 17811 266 1 . 1 1 51 51 VAL H H 51 9.266 9.266 8.738 0.528 17811 267 1 . 1 1 52 52 THR N N 52 115.674 115.674 123.309 -7.635 17811 268 1 . 1 1 52 52 THR HA H 52 5.168 5.168 4.902 0.266 17811 269 1 . 1 1 52 52 THR C C 52 173.669 173.669 174.251 -0.582 17811 270 1 . 1 1 52 52 THR CA C 52 58.709 58.709 61.156 -2.447 17811 271 1 . 1 1 52 52 THR CB C 52 70.628 70.628 69.316 1.312 17811 272 1 . 1 1 52 52 THR H H 52 8.243 8.243 8.141 0.102 17811 273 1 . 1 1 53 53 GLY N N 53 108.122 108.122 112.489 -4.367 17811 274 1 . 1 1 53 53 GLY C C 53 170.721 170.721 171.820 -1.099 17811 275 1 . 1 1 53 53 GLY CA C 53 45.489 45.489 44.670 0.819 17811 276 1 . 1 1 53 53 GLY H H 53 7.908 7.908 8.249 -0.341 17811 277 1 . 1 1 54 54 ARG N N 54 120.750 120.750 120.365 0.385 17811 278 1 . 1 1 54 54 ARG HA H 54 5.105 5.105 5.021 0.084 17811 279 1 . 1 1 54 54 ARG C C 54 175.095 175.095 175.059 0.036 17811 280 1 . 1 1 54 54 ARG CA C 54 55.010 55.010 55.222 -0.212 17811 281 1 . 1 1 54 54 ARG CB C 54 32.474 32.474 31.744 0.730 17811 282 1 . 1 1 54 54 ARG H H 54 8.379 8.379 8.427 -0.048 17811 283 1 . 1 1 55 55 LEU N N 55 123.787 123.787 124.267 -0.480 17811 284 1 . 1 1 55 55 LEU HA H 55 4.427 4.427 4.637 -0.210 17811 285 1 . 1 1 55 55 LEU C C 55 175.058 175.058 177.162 -2.104 17811 286 1 . 1 1 55 55 LEU CA C 55 53.572 53.572 53.896 -0.324 17811 287 1 . 1 1 55 55 LEU CB C 55 45.968 45.968 43.153 2.815 17811 288 1 . 1 1 55 55 LEU H H 55 8.777 8.777 8.113 0.664 17811 289 1 . 1 1 56 56 ALA N N 56 127.548 127.548 126.188 1.360 17811 290 1 . 1 1 56 56 ALA HA H 56 3.930 3.930 3.955 -0.026 17811 291 1 . 1 1 56 56 ALA C C 56 177.855 177.855 177.416 0.439 17811 292 1 . 1 1 56 56 ALA CA C 56 53.092 53.092 53.743 -0.651 17811 293 1 . 1 1 56 56 ALA CB C 56 17.610 17.610 17.869 -0.259 17811 294 1 . 1 1 56 56 ALA H H 56 9.275 9.275 9.111 0.164 17811 295 1 . 1 1 57 57 GLY N N 57 103.215 103.215 104.732 -1.517 17811 296 1 . 1 1 57 57 GLY C C 57 174.157 174.157 174.225 -0.068 17811 297 1 . 1 1 57 57 GLY CA C 57 45.694 45.694 45.204 0.490 17811 298 1 . 1 1 57 57 GLY H H 57 8.507 8.507 8.390 0.117 17811 299 1 . 1 1 58 58 THR N N 58 119.802 119.802 119.340 0.463 17811 300 1 . 1 1 58 58 THR HA H 58 4.411 4.411 4.458 -0.047 17811 301 1 . 1 1 58 58 THR C C 58 172.711 172.711 173.901 -1.190 17811 302 1 . 1 1 58 58 THR CA C 58 62.134 62.134 61.991 0.143 17811 303 1 . 1 1 58 58 THR CB C 58 71.313 71.313 69.929 1.384 17811 304 1 . 1 1 58 58 THR H H 58 8.017 8.017 7.768 0.249 17811 305 1 . 1 1 59 59 SER N N 59 122.901 122.901 121.396 1.505 17811 306 1 . 1 1 59 59 SER HA H 59 4.492 4.492 4.751 -0.259 17811 307 1 . 1 1 59 59 SER C C 59 173.537 173.537 174.142 -0.605 17811 308 1 . 1 1 59 59 SER CA C 59 59.600 59.600 58.636 0.964 17811 309 1 . 1 1 59 59 SER CB C 59 63.367 63.367 63.333 0.034 17811 310 1 . 1 1 59 59 SER H H 59 9.013 9.013 8.635 0.378 17811 311 1 . 1 1 60 60 VAL N N 60 119.354 119.354 119.348 0.006 17811 312 1 . 1 1 60 60 VAL HA H 60 5.060 5.060 4.788 0.272 17811 313 1 . 1 1 60 60 VAL C C 60 174.926 174.926 174.017 0.909 17811 314 1 . 1 1 60 60 VAL CA C 60 59.326 59.326 59.708 -0.382 17811 315 1 . 1 1 60 60 VAL CB C 60 36.378 36.378 34.812 1.566 17811 316 1 . 1 1 60 60 VAL H H 60 8.836 8.836 9.025 -0.189 17811 317 1 . 1 1 61 61 VAL N N 61 124.480 124.480 121.929 2.551 17811 318 1 . 1 1 61 61 VAL HA H 61 4.165 4.165 4.322 -0.157 17811 319 1 . 1 1 61 61 VAL C C 61 173.218 173.218 174.299 -1.081 17811 320 1 . 1 1 61 61 VAL CA C 61 61.929 61.929 60.883 1.046 17811 321 1 . 1 1 61 61 VAL CB C 61 32.474 32.474 32.218 0.256 17811 322 1 . 1 1 61 61 VAL H H 61 8.507 8.507 8.898 -0.391 17811 323 1 . 1 1 62 62 LEU N N 62 129.499 129.499 130.077 -0.578 17811 324 1 . 1 1 62 62 LEU HA H 62 5.472 5.472 4.958 0.514 17811 325 1 . 1 1 62 62 LEU C C 62 175.095 175.095 174.706 0.389 17811 326 1 . 1 1 62 62 LEU CA C 62 52.750 52.750 53.111 -0.361 17811 327 1 . 1 1 62 62 LEU CB C 62 44.872 44.872 43.114 1.758 17811 328 1 . 1 1 62 62 LEU H H 62 9.202 9.202 8.322 0.880 17811 329 1 . 1 1 63 63 ALA N N 63 126.661 126.661 129.661 -3.000 17811 330 1 . 1 1 63 63 ALA HA H 63 5.872 5.872 5.284 0.588 17811 331 1 . 1 1 63 63 ALA C C 63 175.583 175.583 175.689 -0.106 17811 332 1 . 1 1 63 63 ALA CA C 63 50.284 50.284 50.221 0.063 17811 333 1 . 1 1 63 63 ALA CB C 63 25.556 25.556 22.053 3.503 17811 334 1 . 1 1 63 63 ALA H H 63 9.567 9.567 8.966 0.601 17811 335 1 . 1 1 64 64 LYS N N 64 117.967 117.967 122.662 -4.695 17811 336 1 . 1 1 64 64 LYS HA H 64 5.000 5.000 5.159 -0.159 17811 337 1 . 1 1 64 64 LYS C C 64 174.057 174.057 173.960 0.097 17811 338 1 . 1 1 64 64 LYS CA C 64 53.298 53.298 52.891 0.407 17811 339 1 . 1 1 64 64 LYS CB C 64 34.734 34.734 33.315 1.419 17811 340 1 . 1 1 64 64 LYS H H 64 8.422 8.422 8.615 -0.193 17811 341 1 . 1 1 65 65 PRO HA H 65 4.534 4.534 4.569 -0.035 17811 342 1 . 1 1 65 65 PRO C C 65 174.946 174.946 176.775 -1.829 17811 343 1 . 1 1 65 65 PRO CA C 65 62.682 62.682 62.587 0.095 17811 344 1 . 1 1 65 65 PRO CB C 65 32.748 32.748 32.709 0.039 17811 345 1 . 1 1 66 66 ARG N N 66 121.057 121.057 119.462 1.595 17811 346 1 . 1 1 66 66 ARG HA H 66 4.517 4.517 4.523 -0.006 17811 347 1 . 1 1 66 66 ARG C C 66 175.264 175.264 175.441 -0.177 17811 348 1 . 1 1 66 66 ARG CA C 66 54.942 54.942 56.130 -1.188 17811 349 1 . 1 1 66 66 ARG CB C 66 31.241 31.241 30.639 0.602 17811 350 1 . 1 1 66 66 ARG H H 66 9.377 9.377 8.677 0.700 17811 351 1 . 1 1 67 67 CYS N N 67 115.093 115.093 116.878 -1.785 17811 352 1 . 1 1 67 67 CYS HA H 67 4.706 4.706 4.558 0.148 17811 353 1 . 1 1 67 67 CYS C C 67 172.092 172.092 174.309 -2.217 17811 354 1 . 1 1 67 67 CYS CA C 67 54.325 54.325 57.102 -2.777 17811 355 1 . 1 1 67 67 CYS CB C 67 30.899 30.899 30.125 0.774 17811 356 1 . 1 1 67 67 CYS H H 67 7.303 7.303 7.593 -0.290 17811 357 1 . 1 1 68 68 TYR N N 68 115.888 115.888 118.917 -3.029 17811 358 1 . 1 1 68 68 TYR HA H 68 4.420 4.420 4.540 -0.120 17811 359 1 . 1 1 68 68 TYR C C 68 178.080 178.080 177.766 0.314 17811 360 1 . 1 1 68 68 TYR CA C 68 59.874 59.874 57.997 1.877 17811 361 1 . 1 1 68 68 TYR CB C 68 38.365 38.365 38.859 -0.494 17811 362 1 . 1 1 68 68 TYR H H 68 8.201 8.201 8.296 -0.095 17811 363 1 . 1 1 69 69 MET N N 69 119.802 119.802 117.794 2.008 17811 364 1 . 1 1 69 69 MET HA H 69 4.137 4.137 4.115 0.022 17811 365 1 . 1 1 69 69 MET C C 69 175.076 175.076 177.308 -2.232 17811 366 1 . 1 1 69 69 MET CA C 69 58.641 58.641 58.668 -0.027 17811 367 1 . 1 1 69 69 MET CB C 69 33.090 33.090 32.153 0.937 17811 368 1 . 1 1 69 69 MET H H 69 8.367 8.367 8.635 -0.268 17811 369 1 . 1 1 70 70 ASN HA H 70 4.295 4.295 4.542 -0.247 17811 370 1 . 1 1 70 70 ASN C C 70 175.274 175.274 176.579 -1.305 17811 371 1 . 1 1 70 70 ASN CA C 70 55.284 55.284 55.756 -0.472 17811 372 1 . 1 1 70 70 ASN CB C 70 37.474 37.474 38.365 -0.891 17811 373 1 . 1 1 71 71 GLU N N 71 117.111 117.111 117.578 -0.467 17811 374 1 . 1 1 71 71 GLU HA H 71 4.754 4.754 4.355 0.399 17811 375 1 . 1 1 71 71 GLU C C 71 176.823 176.823 177.766 -0.943 17811 376 1 . 1 1 71 71 GLU CA C 71 55.421 55.421 56.956 -1.535 17811 377 1 . 1 1 71 71 GLU CB C 71 31.036 31.036 29.287 1.749 17811 378 1 . 1 1 71 71 GLU H H 71 8.007 8.007 7.983 0.023 17811 379 1 . 1 1 72 72 SER N N 72 115.827 115.827 116.187 -0.360 17811 380 1 . 1 1 72 72 SER HA H 72 4.726 4.726 4.230 0.496 17811 381 1 . 1 1 72 72 SER C C 72 177.029 177.029 176.606 0.423 17811 382 1 . 1 1 72 72 SER CA C 72 63.778 63.778 61.403 2.375 17811 383 1 . 1 1 72 72 SER CB C 72 63.890 63.890 62.827 1.063 17811 384 1 . 1 1 72 72 SER H H 72 7.703 7.703 7.892 -0.189 17811 385 1 . 1 1 73 73 GLY N N 73 109.887 109.887 108.507 1.380 17811 386 1 . 1 1 73 73 GLY C C 73 173.988 173.988 175.821 -1.833 17811 387 1 . 1 1 73 73 GLY CA C 73 48.434 48.434 46.509 1.925 17811 388 1 . 1 1 73 73 GLY H H 73 9.527 9.527 8.137 1.390 17811 389 1 . 1 1 74 74 ARG N N 74 119.068 119.068 119.227 -0.159 17811 390 1 . 1 1 74 74 ARG HA H 74 4.179 4.179 4.258 -0.079 17811 391 1 . 1 1 74 74 ARG C C 74 176.973 176.973 178.152 -1.179 17811 392 1 . 1 1 74 74 ARG CA C 74 58.024 58.024 57.445 0.579 17811 393 1 . 1 1 74 74 ARG CB C 74 29.666 29.666 29.622 0.044 17811 394 1 . 1 1 74 74 ARG H H 74 8.207 8.207 7.540 0.667 17811 395 1 . 1 1 75 75 GLN N N 75 113.474 113.474 118.121 -4.647 17811 396 1 . 1 1 75 75 GLN HA H 75 4.623 4.623 4.289 0.334 17811 397 1 . 1 1 75 75 GLN C C 75 175.840 175.840 177.720 -1.880 17811 398 1 . 1 1 75 75 GLN CA C 75 57.613 57.613 57.489 0.124 17811 399 1 . 1 1 75 75 GLN CB C 75 29.597 29.597 28.813 0.784 17811 400 1 . 1 1 75 75 GLN H H 75 7.260 7.260 7.689 -0.429 17811 401 1 . 1 1 76 76 VAL HA H 76 3.430 3.430 3.751 -0.321 17811 402 1 . 1 1 76 76 VAL C C 76 176.463 176.463 177.656 -1.193 17811 403 1 . 1 1 76 76 VAL CA C 76 66.998 66.998 65.816 1.183 17811 404 1 . 1 1 76 76 VAL CB C 76 32.474 32.474 31.078 1.396 17811 405 1 . 1 1 77 77 GLY N N 77 104.918 104.918 108.553 -3.635 17811 406 1 . 1 1 77 77 GLY C C 77 175.472 175.472 173.362 2.110 17811 407 1 . 1 1 77 77 GLY CA C 77 48.229 48.229 48.286 -0.057 17811 408 1 . 1 1 77 77 GLY H H 77 8.541 8.541 7.929 0.612 17811 409 1 . 1 1 78 78 PRO HA H 78 4.217 4.217 4.119 0.098 17811 410 1 . 1 1 78 78 PRO C C 78 179.208 179.208 177.986 1.222 17811 411 1 . 1 1 78 78 PRO CA C 78 65.148 65.148 65.044 0.104 17811 412 1 . 1 1 78 78 PRO CB C 78 32.268 32.268 31.283 0.985 17811 413 1 . 1 1 79 79 LEU N N 79 119.649 119.649 119.455 0.194 17811 414 1 . 1 1 79 79 LEU HA H 79 3.954 3.954 4.219 -0.265 17811 415 1 . 1 1 79 79 LEU C C 79 177.367 177.367 178.590 -1.224 17811 416 1 . 1 1 79 79 LEU CA C 79 58.504 58.504 57.649 0.855 17811 417 1 . 1 1 79 79 LEU CB C 79 42.886 42.886 41.300 1.586 17811 418 1 . 1 1 79 79 LEU H H 79 7.466 7.466 7.563 -0.097 17811 419 1 . 1 1 80 80 ALA N N 80 120.470 120.470 120.392 0.077 17811 420 1 . 1 1 80 80 ALA HA H 80 3.888 3.888 3.979 -0.091 17811 421 1 . 1 1 80 80 ALA C C 80 179.939 179.939 179.374 0.565 17811 422 1 . 1 1 80 80 ALA CA C 80 55.490 55.490 55.372 0.118 17811 423 1 . 1 1 80 80 ALA CB C 80 17.610 17.610 18.381 -0.771 17811 424 1 . 1 1 80 80 ALA H H 80 8.279 8.279 8.306 -0.027 17811 425 1 . 1 1 81 81 LYS N N 81 116.408 116.408 117.501 -1.093 17811 426 1 . 1 1 81 81 LYS HA H 81 4.094 4.094 4.086 0.008 17811 427 1 . 1 1 81 81 LYS C C 81 179.920 179.920 178.472 1.448 17811 428 1 . 1 1 81 81 LYS CA C 81 58.915 58.915 58.635 0.280 17811 429 1 . 1 1 81 81 LYS CB C 81 32.337 32.337 32.150 0.187 17811 430 1 . 1 1 81 81 LYS H H 81 7.798 7.798 7.471 0.327 17811 431 1 . 1 1 82 82 PHE N N 82 121.199 121.199 117.792 3.407 17811 432 1 . 1 1 82 82 PHE HA H 82 4.035 4.035 4.260 -0.225 17811 433 1 . 1 1 82 82 PHE C C 82 177.254 177.254 177.294 -0.040 17811 434 1 . 1 1 82 82 PHE CA C 82 61.449 61.449 60.501 0.948 17811 435 1 . 1 1 82 82 PHE CB C 82 38.913 38.913 38.907 0.006 17811 436 1 . 1 1 82 82 PHE H H 82 8.489 8.489 7.797 0.692 17811 437 1 . 1 1 83 83 TYR N N 83 114.176 114.176 114.644 -0.469 17811 438 1 . 1 1 83 83 TYR HA H 83 4.404 4.404 4.582 -0.178 17811 439 1 . 1 1 83 83 TYR C C 83 173.368 173.368 175.553 -2.185 17811 440 1 . 1 1 83 83 TYR CA C 83 59.600 59.600 58.328 1.272 17811 441 1 . 1 1 83 83 TYR CB C 83 39.050 39.050 38.902 0.148 17811 442 1 . 1 1 83 83 TYR H H 83 7.634 7.634 7.613 0.021 17811 443 1 . 1 1 84 84 SER N N 84 114.910 114.910 114.340 0.571 17811 444 1 . 1 1 84 84 SER HA H 84 4.020 4.020 4.254 -0.234 17811 445 1 . 1 1 84 84 SER C C 84 173.518 173.518 174.129 -0.611 17811 446 1 . 1 1 84 84 SER CA C 84 58.367 58.367 59.112 -0.744 17811 447 1 . 1 1 84 84 SER CB C 84 61.244 61.244 61.953 -0.709 17811 448 1 . 1 1 84 84 SER H H 84 7.674 7.674 7.803 -0.129 17811 449 1 . 1 1 85 85 VAL N N 85 120.291 120.291 117.567 2.724 17811 450 1 . 1 1 85 85 VAL HA H 85 3.957 3.957 4.534 -0.577 17811 451 1 . 1 1 85 85 VAL C C 85 174.171 174.171 173.929 0.242 17811 452 1 . 1 1 85 85 VAL CA C 85 59.326 59.326 58.952 0.374 17811 453 1 . 1 1 85 85 VAL CB C 85 33.296 33.296 31.895 1.401 17811 454 1 . 1 1 85 85 VAL H H 85 8.456 8.456 7.695 0.761 17811 455 1 . 1 1 89 89 GLN HA H 89 4.356 4.356 4.412 -0.056 17811 456 1 . 1 1 89 89 GLN C C 89 179.299 179.299 175.403 3.896 17811 457 1 . 1 1 89 89 GLN CA C 89 55.832 55.832 54.843 0.989 17811 458 1 . 1 1 89 89 GLN CB C 89 29.255 29.255 29.068 0.187 17811 459 1 . 1 1 90 90 ILE N N 90 119.343 119.343 120.266 -0.923 17811 460 1 . 1 1 90 90 ILE HA H 90 4.062 4.062 4.520 -0.458 17811 461 1 . 1 1 90 90 ILE C C 90 175.020 175.020 174.861 0.159 17811 462 1 . 1 1 90 90 ILE CA C 90 60.627 60.627 60.556 0.071 17811 463 1 . 1 1 90 90 ILE CB C 90 38.365 38.365 39.158 -0.793 17811 464 1 . 1 1 90 90 ILE H H 90 7.728 7.728 7.601 0.127 17811 465 1 . 1 1 91 91 VAL N N 91 127.979 127.979 124.359 3.620 17811 466 1 . 1 1 91 91 VAL HA H 91 4.454 4.454 4.951 -0.497 17811 467 1 . 1 1 91 91 VAL C C 91 174.119 174.119 173.950 0.169 17811 468 1 . 1 1 91 91 VAL CA C 91 60.490 60.490 59.662 0.828 17811 469 1 . 1 1 91 91 VAL CB C 91 34.597 34.597 34.652 -0.055 17811 470 1 . 1 1 91 91 VAL H H 91 9.358 9.358 8.654 0.704 17811 471 1 . 1 1 92 92 VAL N N 92 127.153 127.153 127.051 0.102 17811 472 1 . 1 1 92 92 VAL HA H 92 4.155 4.155 5.020 -0.865 17811 473 1 . 1 1 92 92 VAL C C 92 174.326 174.326 174.946 -0.620 17811 474 1 . 1 1 92 92 VAL CA C 92 61.107 61.107 60.008 1.099 17811 475 1 . 1 1 92 92 VAL CB C 92 33.570 33.570 34.405 -0.835 17811 476 1 . 1 1 92 92 VAL H H 92 9.268 9.268 8.492 0.776 17811 477 1 . 1 1 93 93 ILE N N 93 128.894 128.894 127.858 1.036 17811 478 1 . 1 1 93 93 ILE HA H 93 5.000 5.000 4.472 0.528 17811 479 1 . 1 1 93 93 ILE C C 93 174.945 174.945 174.451 0.494 17811 480 1 . 1 1 93 93 ILE CA C 93 60.970 60.970 60.234 0.736 17811 481 1 . 1 1 93 93 ILE CB C 93 39.461 39.461 37.521 1.940 17811 482 1 . 1 1 93 93 ILE H H 93 9.198 9.198 8.599 0.598 17811 483 1 . 1 1 94 94 HIS N N 94 121.624 121.624 126.702 -5.078 17811 484 1 . 1 1 94 94 HIS HA H 94 5.424 5.424 4.915 0.509 17811 485 1 . 1 1 94 94 HIS C C 94 171.510 171.510 173.145 -1.635 17811 486 1 . 1 1 94 94 HIS CA C 94 54.188 54.188 54.789 -0.601 17811 487 1 . 1 1 94 94 HIS CB C 94 32.748 32.748 34.257 -1.509 17811 488 1 . 1 1 94 94 HIS H H 94 8.762 8.762 8.779 -0.017 17811 489 1 . 1 1 95 95 ASP N N 95 115.353 115.353 121.250 -5.897 17811 490 1 . 1 1 95 95 ASP HA H 95 5.104 5.104 4.802 0.302 17811 491 1 . 1 1 95 95 ASP C C 95 177.555 177.555 175.140 2.415 17811 492 1 . 1 1 95 95 ASP CA C 95 52.818 52.818 53.521 -0.703 17811 493 1 . 1 1 95 95 ASP CB C 95 42.064 42.064 41.733 0.331 17811 494 1 . 1 1 95 95 ASP H H 95 10.045 10.045 8.262 1.783 17811 495 1 . 1 1 96 96 GLU N N 96 125.562 125.562 121.578 3.984 17811 496 1 . 1 1 96 96 GLU HA H 96 5.234 5.234 4.751 0.483 17811 497 1 . 1 1 96 96 GLU C C 96 175.245 175.245 176.510 -1.265 17811 498 1 . 1 1 96 96 GLU CA C 96 54.599 54.599 54.754 -0.155 17811 499 1 . 1 1 96 96 GLU CB C 96 34.255 34.255 32.354 1.901 17811 500 1 . 1 1 96 96 GLU H H 96 9.100 9.100 8.729 0.371 17811 501 1 . 1 1 97 97 LEU N N 97 130.882 130.882 123.136 7.746 17811 502 1 . 1 1 97 97 LEU HA H 97 4.508 4.508 4.751 -0.243 17811 503 1 . 1 1 97 97 LEU C C 97 177.911 177.911 177.515 0.396 17811 504 1 . 1 1 97 97 LEU CA C 97 56.928 56.928 56.007 0.921 17811 505 1 . 1 1 97 97 LEU CB C 97 43.639 43.639 41.863 1.776 17811 506 1 . 1 1 97 97 LEU H H 97 8.774 8.774 8.696 0.078 17811 507 1 . 1 1 98 98 ASP N N 98 114.282 114.282 119.302 -5.020 17811 508 1 . 1 1 98 98 ASP HA H 98 4.465 4.465 4.410 0.055 17811 509 1 . 1 1 98 98 ASP C C 98 175.339 175.339 176.087 -0.748 17811 510 1 . 1 1 98 98 ASP CA C 98 55.969 55.969 56.579 -0.610 17811 511 1 . 1 1 98 98 ASP CB C 98 40.625 40.625 41.226 -0.601 17811 512 1 . 1 1 98 98 ASP H H 98 8.729 8.729 8.467 0.262 17811 513 1 . 1 1 99 99 ILE N N 99 116.163 116.163 116.997 -0.834 17811 514 1 . 1 1 99 99 ILE HA H 99 3.886 3.886 4.315 -0.429 17811 515 1 . 1 1 99 99 ILE C C 99 174.044 174.044 174.499 -0.455 17811 516 1 . 1 1 99 99 ILE CA C 99 59.394 59.394 59.433 -0.039 17811 517 1 . 1 1 99 99 ILE CB C 99 40.968 40.968 40.347 0.621 17811 518 1 . 1 1 99 99 ILE H H 99 7.149 7.149 7.429 -0.280 17811 519 1 . 1 1 100 100 ASP N N 100 122.370 122.370 123.101 -0.731 17811 520 1 . 1 1 100 100 ASP HA H 100 4.301 4.301 4.509 -0.208 17811 521 1 . 1 1 100 100 ASP C C 100 175.321 175.321 175.835 -0.514 17811 522 1 . 1 1 100 100 ASP CA C 100 55.216 55.216 54.105 1.111 17811 523 1 . 1 1 100 100 ASP CB C 100 41.584 41.584 41.921 -0.337 17811 524 1 . 1 1 100 100 ASP H H 100 8.109 8.109 8.402 -0.293 17811 525 1 . 1 1 101 101 PHE N N 101 119.674 119.674 118.423 1.251 17811 526 1 . 1 1 101 101 PHE HA H 101 4.033 4.033 4.732 -0.699 17811 527 1 . 1 1 101 101 PHE C C 101 176.654 176.654 176.918 -0.264 17811 528 1 . 1 1 101 101 PHE CA C 101 59.463 59.463 59.022 0.441 17811 529 1 . 1 1 101 101 PHE CB C 101 39.324 39.324 39.122 0.202 17811 530 1 . 1 1 101 101 PHE H H 101 8.598 8.598 8.349 0.249 17811 531 1 . 1 1 102 102 GLY N N 102 116.800 116.800 113.159 3.641 17811 532 1 . 1 1 102 102 GLY C C 102 172.749 172.749 173.363 -0.614 17811 533 1 . 1 1 102 102 GLY CA C 102 45.215 45.215 45.165 0.050 17811 534 1 . 1 1 102 102 GLY H H 102 8.550 8.550 8.387 0.163 17811 535 1 . 1 1 103 103 ARG N N 103 118.304 118.304 120.822 -2.518 17811 536 1 . 1 1 103 103 ARG HA H 103 4.538 4.538 4.791 -0.253 17811 537 1 . 1 1 103 103 ARG C C 103 175.114 175.114 174.544 0.570 17811 538 1 . 1 1 103 103 ARG CA C 103 54.736 54.736 54.338 0.398 17811 539 1 . 1 1 103 103 ARG CB C 103 31.310 31.310 31.965 -0.655 17811 540 1 . 1 1 103 103 ARG H H 103 7.730 7.730 7.776 -0.046 17811 541 1 . 1 1 104 104 ILE N N 104 122.440 122.440 117.522 4.918 17811 542 1 . 1 1 104 104 ILE HA H 104 4.971 4.971 4.928 0.043 17811 543 1 . 1 1 104 104 ILE C C 104 175.884 175.884 174.792 1.092 17811 544 1 . 1 1 104 104 ILE CA C 104 59.805 59.805 59.245 0.560 17811 545 1 . 1 1 104 104 ILE CB C 104 40.968 40.968 41.087 -0.119 17811 546 1 . 1 1 104 104 ILE H H 104 8.687 8.687 8.221 0.466 17811 547 1 . 1 1 105 105 ARG N N 105 124.391 124.391 121.074 3.317 17811 548 1 . 1 1 105 105 ARG HA H 105 4.902 4.902 4.737 0.165 17811 549 1 . 1 1 105 105 ARG C C 105 174.157 174.157 174.163 -0.006 17811 550 1 . 1 1 105 105 ARG CA C 105 51.914 51.914 54.738 -2.824 17811 551 1 . 1 1 105 105 ARG CB C 105 34.597 34.597 33.781 0.816 17811 552 1 . 1 1 105 105 ARG H H 105 9.025 9.025 8.698 0.327 17811 553 1 . 1 1 106 106 LEU N N 106 123.612 123.612 122.853 0.759 17811 554 1 . 1 1 106 106 LEU HA H 106 5.531 5.531 4.890 0.641 17811 555 1 . 1 1 106 106 LEU C C 106 178.303 178.303 176.241 2.062 17811 556 1 . 1 1 106 106 LEU CA C 106 53.161 53.161 54.153 -0.992 17811 557 1 . 1 1 106 106 LEU CB C 106 45.420 45.420 43.400 2.020 17811 558 1 . 1 1 106 106 LEU H H 106 11.263 11.263 8.566 2.698 17811 559 1 . 1 1 107 107 LYS HA H 107 4.076 4.076 4.629 -0.553 17811 560 1 . 1 1 107 107 LYS C C 107 175.241 175.241 174.631 0.610 17811 561 1 . 1 1 107 107 LYS CA C 107 56.419 56.419 54.933 1.486 17811 562 1 . 1 1 107 107 LYS CB C 107 38.913 38.913 35.867 3.046 17811 563 1 . 1 1 108 108 LEU N N 108 125.733 125.733 123.288 2.445 17811 564 1 . 1 1 108 108 LEU HA H 108 4.663 4.663 4.708 -0.045 17811 565 1 . 1 1 108 108 LEU C C 108 176.152 176.152 176.283 -0.131 17811 566 1 . 1 1 108 108 LEU CA C 108 54.325 54.325 54.775 -0.450 17811 567 1 . 1 1 108 108 LEU CB C 108 42.374 42.374 41.366 1.008 17811 568 1 . 1 1 108 108 LEU H H 108 8.488 8.488 8.633 -0.145 17811 569 1 . 1 1 109 109 GLY N N 109 113.088 113.088 111.499 1.589 17811 570 1 . 1 1 109 109 GLY C C 109 171.829 171.829 172.939 -1.110 17811 571 1 . 1 1 109 109 GLY CA C 109 44.461 44.461 45.085 -0.624 17811 572 1 . 1 1 109 109 GLY H H 109 7.427 7.427 7.846 -0.419 17811 573 1 . 1 1 110 110 GLY N N 110 102.747 102.747 107.225 -4.478 17811 574 1 . 1 1 110 110 GLY C C 110 174.538 174.538 173.831 0.707 17811 575 1 . 1 1 110 110 GLY CA C 110 44.050 44.050 44.605 -0.555 17811 576 1 . 1 1 110 110 GLY H H 110 7.685 7.685 8.330 -0.645 17811 577 1 . 1 1 111 111 GLY N N 111 117.376 117.376 108.375 9.001 17811 578 1 . 1 1 111 111 GLY C C 111 172.020 172.020 173.278 -1.258 17811 579 1 . 1 1 111 111 GLY CA C 111 43.845 43.845 44.959 -1.114 17811 580 1 . 1 1 111 111 GLY H H 111 8.252 8.252 8.162 0.090 17811 581 1 . 1 1 112 112 GLU HA H 112 4.194 4.194 4.395 -0.201 17811 582 1 . 1 1 112 112 GLU C C 112 177.997 177.997 176.728 1.269 17811 583 1 . 1 1 112 112 GLU CA C 112 57.202 57.202 56.252 0.950 17811 584 1 . 1 1 112 112 GLU CB C 112 29.489 29.489 31.064 -1.575 17811 585 1 . 1 1 113 113 GLY N N 113 110.029 110.029 109.684 0.346 17811 586 1 . 1 1 113 113 GLY C C 113 175.583 175.583 174.750 0.833 17811 587 1 . 1 1 113 113 GLY CA C 113 46.996 46.996 45.246 1.749 17811 588 1 . 1 1 113 113 GLY H H 113 8.638 8.638 8.384 0.254 17811 589 1 . 1 1 114 114 GLY N N 114 107.830 107.830 110.514 -2.684 17811 590 1 . 1 1 114 114 GLY C C 114 173.838 173.838 174.681 -0.843 17811 591 1 . 1 1 114 114 GLY CA C 114 45.352 45.352 44.903 0.449 17811 592 1 . 1 1 114 114 GLY H H 114 8.579 8.579 8.237 0.342 17811 593 1 . 1 1 115 115 HIS N N 115 122.890 122.890 121.083 1.807 17811 594 1 . 1 1 115 115 HIS HA H 115 4.703 4.703 4.199 0.504 17811 595 1 . 1 1 115 115 HIS C C 115 176.520 176.520 176.290 0.230 17811 596 1 . 1 1 115 115 HIS CA C 115 57.956 57.956 59.460 -1.503 17811 597 1 . 1 1 115 115 HIS CB C 115 32.405 32.405 29.758 2.647 17811 598 1 . 1 1 115 115 HIS H H 115 7.830 7.830 8.259 -0.429 17811 599 1 . 1 1 116 116 ASN HA H 116 4.296 4.296 4.499 -0.203 17811 600 1 . 1 1 116 116 ASN C C 116 178.246 178.246 177.200 1.046 17811 601 1 . 1 1 116 116 ASN CA C 116 56.380 56.380 55.853 0.526 17811 602 1 . 1 1 116 116 ASN CB C 116 36.721 36.721 37.998 -1.277 17811 603 1 . 1 1 117 117 GLY N N 117 113.570 113.570 107.399 6.171 17811 604 1 . 1 1 117 117 GLY C C 117 175.114 175.114 175.840 -0.726 17811 605 1 . 1 1 117 117 GLY CA C 117 47.407 47.407 46.357 1.050 17811 606 1 . 1 1 117 117 GLY H H 117 9.245 9.245 8.186 1.059 17811 607 1 . 1 1 118 118 LEU N N 118 123.746 123.746 121.453 2.293 17811 608 1 . 1 1 118 118 LEU HA H 118 3.836 3.836 4.070 -0.234 17811 609 1 . 1 1 118 118 LEU C C 118 179.150 179.150 178.581 0.569 17811 610 1 . 1 1 118 118 LEU CA C 118 58.093 58.093 56.939 1.154 17811 611 1 . 1 1 118 118 LEU CB C 118 42.338 42.338 41.788 0.550 17811 612 1 . 1 1 118 118 LEU H H 118 8.133 8.133 7.651 0.482 17811 613 1 . 1 1 119 119 ARG N N 119 117.495 117.495 119.289 -1.794 17811 614 1 . 1 1 119 119 ARG HA H 119 4.061 4.061 4.031 0.030 17811 615 1 . 1 1 119 119 ARG C C 119 178.400 178.400 178.483 -0.083 17811 616 1 . 1 1 119 119 ARG CA C 119 59.737 59.737 58.456 1.281 17811 617 1 . 1 1 119 119 ARG CB C 119 30.488 30.488 29.401 1.087 17811 618 1 . 1 1 119 119 ARG H H 119 8.234 8.234 8.148 0.086 17811 619 1 . 1 1 120 120 SER N N 120 112.769 112.769 115.512 -2.743 17811 620 1 . 1 1 120 120 SER HA H 120 4.218 4.218 4.207 0.011 17811 621 1 . 1 1 120 120 SER C C 120 178.568 178.568 176.511 2.057 17811 622 1 . 1 1 120 120 SER CA C 120 60.901 60.901 61.619 -0.718 17811 623 1 . 1 1 120 120 SER CB C 120 63.367 63.367 62.911 0.456 17811 624 1 . 1 1 120 120 SER H H 120 7.283 7.283 8.068 -0.785 17811 625 1 . 1 1 121 121 VAL N N 121 120.291 120.291 121.476 -1.185 17811 626 1 . 1 1 121 121 VAL HA H 121 3.259 3.259 3.786 -0.527 17811 627 1 . 1 1 121 121 VAL C C 121 176.485 176.485 177.470 -0.985 17811 628 1 . 1 1 121 121 VAL CA C 121 68.094 68.094 65.550 2.544 17811 629 1 . 1 1 121 121 VAL CB C 121 31.584 31.584 31.340 0.244 17811 630 1 . 1 1 121 121 VAL H H 121 8.263 8.263 7.480 0.783 17811 631 1 . 1 1 122 122 ALA N N 122 120.702 120.702 122.678 -1.975 17811 632 1 . 1 1 122 122 ALA HA H 122 4.485 4.485 4.165 0.320 17811 633 1 . 1 1 122 122 ALA C C 122 181.178 181.178 179.750 1.428 17811 634 1 . 1 1 122 122 ALA CA C 122 55.284 55.284 55.073 0.211 17811 635 1 . 1 1 122 122 ALA CB C 122 18.569 18.569 18.390 0.179 17811 636 1 . 1 1 122 122 ALA H H 122 8.708 8.708 8.037 0.671 17811 637 1 . 1 1 123 123 SER N N 123 113.198 113.198 113.859 -0.661 17811 638 1 . 1 1 123 123 SER HA H 123 4.049 4.049 4.214 -0.165 17811 639 1 . 1 1 123 123 SER C C 123 176.672 176.672 176.163 0.509 17811 640 1 . 1 1 123 123 SER CA C 123 61.312 61.312 61.078 0.234 17811 641 1 . 1 1 123 123 SER CB C 123 62.888 62.888 63.117 -0.229 17811 642 1 . 1 1 123 123 SER H H 123 8.137 8.137 8.211 -0.074 17811 643 1 . 1 1 124 124 ALA N N 124 122.798 122.798 123.727 -0.929 17811 644 1 . 1 1 124 124 ALA HA H 124 4.136 4.136 4.211 -0.075 17811 645 1 . 1 1 124 124 ALA C C 124 180.052 180.052 179.001 1.051 17811 646 1 . 1 1 124 124 ALA CA C 124 54.668 54.668 54.341 0.327 17811 647 1 . 1 1 124 124 ALA CB C 124 19.870 19.870 18.882 0.988 17811 648 1 . 1 1 124 124 ALA H H 124 7.692 7.692 7.608 0.084 17811 649 1 . 1 1 125 125 LEU N N 125 114.359 114.359 116.103 -1.744 17811 650 1 . 1 1 125 125 LEU HA H 125 4.191 4.191 4.303 -0.112 17811 651 1 . 1 1 125 125 LEU C C 125 178.024 178.024 178.006 0.018 17811 652 1 . 1 1 125 125 LEU CA C 125 55.490 55.490 55.459 0.031 17811 653 1 . 1 1 125 125 LEU CB C 125 42.954 42.954 42.730 0.224 17811 654 1 . 1 1 125 125 LEU H H 125 8.219 8.219 7.867 0.352 17811 655 1 . 1 1 126 126 GLY N N 126 106.746 106.746 106.407 0.339 17811 656 1 . 1 1 126 126 GLY C C 126 173.124 173.124 174.138 -1.014 17811 657 1 . 1 1 126 126 GLY CA C 126 45.557 45.557 45.239 0.318 17811 658 1 . 1 1 126 126 GLY H H 126 7.910 7.910 8.116 -0.207 17811 659 1 . 1 1 127 127 THR N N 127 112.372 112.372 113.057 -0.685 17811 660 1 . 1 1 127 127 THR HA H 127 4.586 4.586 4.572 0.014 17811 661 1 . 1 1 127 127 THR C C 127 170.252 170.252 173.496 -3.244 17811 662 1 . 1 1 127 127 THR CA C 127 59.463 59.463 60.407 -0.944 17811 663 1 . 1 1 127 127 THR CB C 127 67.751 67.751 70.252 -2.501 17811 664 1 . 1 1 127 127 THR H H 127 7.611 7.611 7.659 -0.049 17811 665 1 . 1 1 128 128 LYS N N 128 120.933 120.933 120.847 0.086 17811 666 1 . 1 1 128 128 LYS HA H 128 4.314 4.314 4.214 0.100 17811 667 1 . 1 1 128 128 LYS C C 128 178.400 178.400 175.916 2.484 17811 668 1 . 1 1 128 128 LYS CA C 128 56.038 56.038 56.225 -0.187 17811 669 1 . 1 1 128 128 LYS CB C 128 32.748 32.748 32.518 0.230 17811 670 1 . 1 1 128 128 LYS H H 128 8.075 8.075 8.400 -0.325 17811 671 1 . 1 1 129 129 ASN N N 129 124.675 124.675 115.333 9.342 17811 672 1 . 1 1 129 129 ASN HA H 129 4.304 4.304 4.308 -0.004 17811 673 1 . 1 1 129 129 ASN C C 129 171.284 171.284 174.130 -2.846 17811 674 1 . 1 1 129 129 ASN CA C 129 54.120 54.120 53.885 0.235 17811 675 1 . 1 1 129 129 ASN CB C 129 37.063 37.063 37.444 -0.381 17811 676 1 . 1 1 129 129 ASN H H 129 8.736 8.736 7.951 0.785 17811 677 1 . 1 1 131 131 HIS HA H 131 5.091 5.091 4.591 0.500 17811 678 1 . 1 1 131 131 HIS C C 131 175.397 175.397 173.735 1.662 17811 679 1 . 1 1 131 131 HIS CA C 131 60.148 60.148 55.840 4.308 17811 680 1 . 1 1 131 131 HIS CB C 131 30.967 30.967 29.490 1.477 17811 681 1 . 1 1 132 132 ARG N N 132 119.440 119.440 122.278 -2.838 17811 682 1 . 1 1 132 132 ARG HA H 132 5.949 5.949 4.791 1.158 17811 683 1 . 1 1 132 132 ARG C C 132 174.945 174.945 174.440 0.505 17811 684 1 . 1 1 132 132 ARG CA C 132 55.558 55.558 55.129 0.429 17811 685 1 . 1 1 132 132 ARG CB C 132 32.679 32.679 32.691 -0.012 17811 686 1 . 1 1 132 132 ARG H H 132 9.525 9.525 8.125 1.400 17811 687 1 . 1 1 133 133 VAL N N 133 124.107 124.107 123.671 0.436 17811 688 1 . 1 1 133 133 VAL HA H 133 4.107 4.107 4.316 -0.209 17811 689 1 . 1 1 133 133 VAL C C 133 172.805 172.805 174.926 -2.121 17811 690 1 . 1 1 133 133 VAL CA C 133 62.477 62.477 61.664 0.813 17811 691 1 . 1 1 133 133 VAL CB C 133 32.405 32.405 32.838 -0.433 17811 692 1 . 1 1 133 133 VAL H H 133 8.669 8.669 8.797 -0.128 17811 693 1 . 1 1 134 134 ARG N N 134 123.782 123.782 127.612 -3.830 17811 694 1 . 1 1 134 134 ARG HA H 134 3.624 3.624 4.848 -1.224 17811 695 1 . 1 1 134 134 ARG C C 134 174.964 174.964 175.221 -0.257 17811 696 1 . 1 1 134 134 ARG CA C 134 53.914 53.914 54.729 -0.815 17811 697 1 . 1 1 134 134 ARG CB C 134 32.063 32.063 30.939 1.124 17811 698 1 . 1 1 134 134 ARG H H 134 8.822 8.822 8.796 0.026 17811 699 1 . 1 1 135 135 ILE N N 135 122.618 122.618 126.007 -3.389 17811 700 1 . 1 1 135 135 ILE HA H 135 4.300 4.300 4.231 0.069 17811 701 1 . 1 1 135 135 ILE C C 135 175.809 175.809 175.469 0.340 17811 702 1 . 1 1 135 135 ILE CA C 135 60.627 60.627 60.260 0.367 17811 703 1 . 1 1 135 135 ILE CB C 135 38.433 38.433 38.605 -0.172 17811 704 1 . 1 1 135 135 ILE H H 135 8.532 8.532 8.513 0.019 17811 705 1 . 1 1 136 136 GLY N N 136 116.268 116.268 116.412 -0.144 17811 706 1 . 1 1 136 136 GLY C C 136 175.302 175.302 174.792 0.510 17811 707 1 . 1 1 136 136 GLY CA C 136 48.434 48.434 45.514 2.920 17811 708 1 . 1 1 136 136 GLY H H 136 9.240 9.240 8.661 0.579 17811 709 1 . 1 1 137 137 VAL N N 137 111.669 111.669 122.739 -11.070 17811 710 1 . 1 1 137 137 VAL HA H 137 5.195 5.195 4.379 0.816 17811 711 1 . 1 1 137 137 VAL C C 137 176.691 176.691 175.720 0.971 17811 712 1 . 1 1 137 137 VAL CA C 137 60.216 60.216 60.619 -0.403 17811 713 1 . 1 1 137 137 VAL CB C 137 33.844 33.844 32.436 1.408 17811 714 1 . 1 1 137 137 VAL H H 137 8.370 8.370 8.201 0.169 17811 715 1 . 1 1 138 138 GLY N N 138 111.577 111.577 109.226 2.351 17811 716 1 . 1 1 138 138 GLY C C 138 169.895 169.895 172.499 -2.604 17811 717 1 . 1 1 138 138 GLY CA C 138 45.489 45.489 44.673 0.816 17811 718 1 . 1 1 138 138 GLY H H 138 8.524 8.524 7.798 0.726 17811 719 1 . 1 1 139 139 ARG N N 139 112.983 112.983 119.899 -6.916 17811 720 1 . 1 1 139 139 ARG HA H 139 4.385 4.385 4.879 -0.494 17811 721 1 . 1 1 139 139 ARG C C 139 175.133 175.133 173.957 1.176 17811 722 1 . 1 1 139 139 ARG CA C 139 53.161 53.161 53.034 0.127 17811 723 1 . 1 1 139 139 ARG CB C 139 29.666 29.666 30.559 -0.893 17811 724 1 . 1 1 139 139 ARG H H 139 7.603 7.603 8.346 -0.743 17811 725 1 . 1 1 141 141 PRO HA H 141 4.633 4.633 4.458 0.175 17811 726 1 . 1 1 141 141 PRO C C 141 176.503 176.503 176.627 -0.124 17811 727 1 . 1 1 141 141 PRO CA C 141 62.956 62.956 62.584 0.373 17811 728 1 . 1 1 141 141 PRO CB C 141 32.953 32.953 32.139 0.814 17811 729 1 . 1 1 142 142 GLY N N 142 107.144 107.144 109.941 -2.797 17811 730 1 . 1 1 142 142 GLY C C 142 175.076 175.076 174.100 0.976 17811 731 1 . 1 1 142 142 GLY CA C 142 44.530 44.530 45.193 -0.663 17811 732 1 . 1 1 142 142 GLY H H 142 8.228 8.228 7.874 0.354 17811 733 1 . 1 1 143 143 ARG HA H 143 4.265 4.265 4.458 -0.193 17811 734 1 . 1 1 143 143 ARG C C 143 175.848 175.848 176.093 -0.245 17811 735 1 . 1 1 143 143 ARG CA C 143 55.421 55.421 56.204 -0.782 17811 736 1 . 1 1 143 143 ARG CB C 143 29.118 29.118 30.533 -1.416 17811 737 1 . 1 1 144 144 LYS N N 144 121.850 121.850 120.433 1.417 17811 738 1 . 1 1 144 144 LYS HA H 144 4.059 4.059 4.458 -0.399 17811 739 1 . 1 1 144 144 LYS C C 144 175.152 175.152 175.409 -0.257 17811 740 1 . 1 1 144 144 LYS CA C 144 56.312 56.312 55.017 1.295 17811 741 1 . 1 1 144 144 LYS CB C 144 32.611 32.611 33.660 -1.049 17811 742 1 . 1 1 144 144 LYS H H 144 7.542 7.542 7.869 -0.328 17811 743 1 . 1 1 145 145 ASP N N 145 126.413 126.413 122.897 3.516 17811 744 1 . 1 1 145 145 ASP HA H 145 4.703 4.703 4.728 -0.025 17811 745 1 . 1 1 145 145 ASP C C 145 176.208 176.208 176.315 -0.107 17811 746 1 . 1 1 145 145 ASP CA C 145 52.339 52.339 52.958 -0.619 17811 747 1 . 1 1 145 145 ASP CB C 145 42.406 42.406 41.317 1.089 17811 748 1 . 1 1 145 145 ASP H H 145 8.507 8.507 8.456 0.051 17811 749 1 . 1 1 146 146 PRO HA H 146 4.673 4.673 4.519 0.154 17811 750 1 . 1 1 146 146 PRO C C 146 177.555 177.555 177.531 0.024 17811 751 1 . 1 1 146 146 PRO CA C 146 65.628 65.628 65.054 0.574 17811 752 1 . 1 1 146 146 PRO CB C 146 32.542 32.542 31.668 0.874 17811 753 1 . 1 1 147 147 ALA N N 147 119.068 119.068 120.296 -1.228 17811 754 1 . 1 1 147 147 ALA HA H 147 3.996 3.996 4.021 -0.025 17811 755 1 . 1 1 147 147 ALA C C 147 179.236 179.236 178.852 0.384 17811 756 1 . 1 1 147 147 ALA CA C 147 54.599 54.599 54.525 0.074 17811 757 1 . 1 1 147 147 ALA CB C 147 18.363 18.363 18.242 0.121 17811 758 1 . 1 1 147 147 ALA H H 147 8.161 8.161 8.092 0.069 17811 759 1 . 1 1 148 148 ALA N N 148 118.488 118.488 119.494 -1.006 17811 760 1 . 1 1 148 148 ALA HA H 148 4.167 4.167 4.195 -0.028 17811 761 1 . 1 1 148 148 ALA C C 148 180.397 180.397 179.265 1.132 17811 762 1 . 1 1 148 148 ALA CA C 148 54.188 54.188 53.854 0.334 17811 763 1 . 1 1 148 148 ALA CB C 148 18.774 18.774 19.029 -0.255 17811 764 1 . 1 1 148 148 ALA H H 148 7.210 7.210 7.746 -0.536 17811 765 1 . 1 1 149 149 PHE N N 149 118.247 118.247 117.384 0.863 17811 766 1 . 1 1 149 149 PHE HA H 149 4.138 4.138 4.501 -0.363 17811 767 1 . 1 1 149 149 PHE C C 149 178.080 178.080 177.780 0.300 17811 768 1 . 1 1 149 149 PHE CA C 149 60.353 60.353 59.918 0.435 17811 769 1 . 1 1 149 149 PHE CB C 149 40.831 40.831 39.063 1.768 17811 770 1 . 1 1 149 149 PHE H H 149 8.099 8.099 7.517 0.582 17811 771 1 . 1 1 150 150 VAL N N 150 107.786 107.786 119.525 -11.739 17811 772 1 . 1 1 150 150 VAL HA H 150 3.837 3.837 3.843 -0.006 17811 773 1 . 1 1 150 150 VAL C C 150 174.757 174.757 176.268 -1.511 17811 774 1 . 1 1 150 150 VAL CA C 150 63.847 63.847 64.431 -0.585 17811 775 1 . 1 1 150 150 VAL CB C 150 30.762 30.762 31.498 -0.735 17811 776 1 . 1 1 150 150 VAL H H 150 7.587 7.587 8.213 -0.626 17811 777 1 . 1 1 151 151 LEU N N 151 118.783 118.783 115.453 3.330 17811 778 1 . 1 1 151 151 LEU HA H 151 4.475 4.475 4.440 0.035 17811 779 1 . 1 1 151 151 LEU C C 151 174.926 174.926 175.867 -0.941 17811 780 1 . 1 1 151 151 LEU CA C 151 53.709 53.709 55.287 -1.577 17811 781 1 . 1 1 151 151 LEU CB C 151 41.036 41.036 42.289 -1.253 17811 782 1 . 1 1 151 151 LEU H H 151 6.914 6.914 7.512 -0.598 17811 783 1 . 1 1 152 152 GLU N N 152 118.356 118.356 115.920 2.436 17811 784 1 . 1 1 152 152 GLU HA H 152 4.325 4.325 4.566 -0.241 17811 785 1 . 1 1 152 152 GLU C C 152 175.752 175.752 174.597 1.155 17811 786 1 . 1 1 152 152 GLU CA C 152 54.599 54.599 55.574 -0.975 17811 787 1 . 1 1 152 152 GLU CB C 152 31.995 31.995 31.025 0.970 17811 788 1 . 1 1 152 152 GLU H H 152 6.823 6.823 7.543 -0.720 17811 789 1 . 1 1 153 153 ASN N N 153 116.805 116.805 122.095 -5.290 17811 790 1 . 1 1 153 153 ASN HA H 153 4.603 4.603 4.866 -0.263 17811 791 1 . 1 1 153 153 ASN C C 153 175.734 175.734 173.718 2.016 17811 792 1 . 1 1 153 153 ASN CA C 153 52.750 52.750 53.225 -0.475 17811 793 1 . 1 1 153 153 ASN CB C 153 38.844 38.844 40.491 -1.647 17811 794 1 . 1 1 153 153 ASN H H 153 8.064 8.064 8.558 -0.494 17811 795 1 . 1 1 154 154 PHE N N 154 116.744 116.744 119.582 -2.838 17811 796 1 . 1 1 154 154 PHE HA H 154 4.325 4.325 5.059 -0.734 17811 797 1 . 1 1 154 154 PHE C C 154 177.142 177.142 174.093 3.049 17811 798 1 . 1 1 154 154 PHE CA C 154 60.148 60.148 56.509 3.639 17811 799 1 . 1 1 154 154 PHE CB C 154 38.776 38.776 39.884 -1.108 17811 800 1 . 1 1 154 154 PHE H H 154 7.410 7.410 8.077 -0.667 17811 801 1 . 1 1 155 155 THR N N 155 113.714 113.714 118.933 -5.219 17811 802 1 . 1 1 155 155 THR HA H 155 4.691 4.691 4.455 0.236 17811 803 1 . 1 1 155 155 THR C C 155 174.870 174.870 174.657 0.213 17811 804 1 . 1 1 155 155 THR CA C 155 61.648 61.648 60.914 0.734 17811 805 1 . 1 1 155 155 THR CB C 155 70.697 70.697 70.726 -0.029 17811 806 1 . 1 1 155 155 THR H H 155 9.356 9.356 8.597 0.759 17811 807 1 . 1 1 156 156 ALA N N 156 122.937 122.937 127.811 -4.873 17811 808 1 . 1 1 156 156 ALA HA H 156 4.339 4.339 4.144 0.195 17811 809 1 . 1 1 156 156 ALA C C 156 180.132 180.132 179.179 0.953 17811 810 1 . 1 1 156 156 ALA CA C 156 56.106 56.106 54.732 1.374 17811 811 1 . 1 1 156 156 ALA CB C 156 17.952 17.952 18.430 -0.478 17811 812 1 . 1 1 156 156 ALA H H 156 8.931 8.931 8.762 0.169 17811 813 1 . 1 1 157 157 ALA N N 157 118.892 118.892 121.061 -2.169 17811 814 1 . 1 1 157 157 ALA HA H 157 4.167 4.167 4.071 0.096 17811 815 1 . 1 1 157 157 ALA C C 157 181.009 181.009 179.203 1.806 17811 816 1 . 1 1 157 157 ALA CA C 157 54.668 54.668 54.549 0.119 17811 817 1 . 1 1 157 157 ALA CB C 157 18.500 18.500 18.195 0.305 17811 818 1 . 1 1 157 157 ALA H H 157 8.248 8.248 8.267 -0.019 17811 819 1 . 1 1 158 158 GLU N N 158 118.304 118.304 117.062 1.242 17811 820 1 . 1 1 158 158 GLU HA H 158 3.778 3.778 3.552 0.226 17811 821 1 . 1 1 158 158 GLU C C 158 179.920 179.920 178.690 1.230 17811 822 1 . 1 1 158 158 GLU CA C 158 58.298 58.298 58.221 0.078 17811 823 1 . 1 1 158 158 GLU CB C 158 30.762 30.762 28.753 2.009 17811 824 1 . 1 1 158 158 GLU H H 158 7.486 7.486 8.004 -0.518 17811 825 1 . 1 1 159 159 ARG N N 159 118.363 118.363 119.058 -0.695 17811 826 1 . 1 1 159 159 ARG HA H 159 3.703 3.703 4.117 -0.414 17811 827 1 . 1 1 159 159 ARG C C 159 177.793 177.793 178.258 -0.465 17811 828 1 . 1 1 159 159 ARG CA C 159 59.763 59.763 57.931 1.832 17811 829 1 . 1 1 159 159 ARG CB C 159 30.419 30.419 29.494 0.925 17811 830 1 . 1 1 159 159 ARG H H 159 9.117 9.117 7.914 1.204 17811 831 1 . 1 1 160 160 ALA N N 160 118.334 118.334 121.641 -3.307 17811 832 1 . 1 1 160 160 ALA HA H 160 4.182 4.182 4.214 -0.032 17811 833 1 . 1 1 160 160 ALA C C 160 178.512 178.512 178.475 0.037 17811 834 1 . 1 1 160 160 ALA CA C 160 54.325 54.325 54.577 -0.252 17811 835 1 . 1 1 160 160 ALA CB C 160 18.774 18.774 18.589 0.185 17811 836 1 . 1 1 160 160 ALA H H 160 7.227 7.227 7.495 -0.268 17811 837 1 . 1 1 161 161 GLU N N 161 114.910 114.910 116.212 -1.302 17811 838 1 . 1 1 161 161 GLU HA H 161 4.543 4.543 4.505 0.038 17811 839 1 . 1 1 161 161 GLU C C 161 177.085 177.085 177.765 -0.680 17811 840 1 . 1 1 161 161 GLU CA C 161 56.243 56.243 56.155 0.088 17811 841 1 . 1 1 161 161 GLU CB C 161 31.926 31.926 29.617 2.308 17811 842 1 . 1 1 161 161 GLU H H 161 7.705 7.705 7.765 -0.060 17811 843 1 . 1 1 162 162 VAL N N 162 120.126 120.126 121.720 -1.594 17811 844 1 . 1 1 162 162 VAL HA H 162 4.153 4.153 3.885 0.268 17811 845 1 . 1 1 162 162 VAL C C 162 173.208 173.208 175.383 -2.175 17811 846 1 . 1 1 162 162 VAL CA C 162 68.779 68.779 68.805 -0.026 17811 847 1 . 1 1 162 162 VAL CB C 162 30.214 30.214 29.223 0.991 17811 848 1 . 1 1 162 162 VAL H H 162 7.509 7.509 7.447 0.062 17811 849 1 . 1 1 163 163 PRO HA H 163 4.158 4.158 4.266 -0.108 17811 850 1 . 1 1 163 163 PRO C C 163 179.146 179.146 178.712 0.434 17811 851 1 . 1 1 163 163 PRO CA C 163 66.724 66.724 66.350 0.374 17811 852 1 . 1 1 163 163 PRO CB C 163 30.762 30.762 31.093 -0.331 17811 853 1 . 1 1 164 164 THR N N 164 113.503 113.503 115.342 -1.839 17811 854 1 . 1 1 164 164 THR HA H 164 4.295 4.295 4.054 0.241 17811 855 1 . 1 1 164 164 THR C C 164 175.696 175.696 176.688 -0.992 17811 856 1 . 1 1 164 164 THR CA C 164 66.244 66.244 66.810 -0.566 17811 857 1 . 1 1 164 164 THR CB C 164 68.710 68.710 68.467 0.243 17811 858 1 . 1 1 164 164 THR H H 164 7.260 7.260 7.802 -0.542 17811 859 1 . 1 1 165 165 ILE N N 165 124.266 124.266 122.167 2.099 17811 860 1 . 1 1 165 165 ILE HA H 165 3.725 3.725 3.733 -0.008 17811 861 1 . 1 1 165 165 ILE C C 165 177.949 177.949 177.726 0.223 17811 862 1 . 1 1 165 165 ILE CA C 165 65.148 65.148 64.790 0.358 17811 863 1 . 1 1 165 165 ILE CB C 165 38.433 38.433 37.526 0.907 17811 864 1 . 1 1 165 165 ILE H H 165 7.781 7.781 8.037 -0.256 17811 865 1 . 1 1 166 166 VAL N N 166 117.723 117.723 119.969 -2.246 17811 866 1 . 1 1 166 166 VAL HA H 166 3.511 3.511 3.518 -0.007 17811 867 1 . 1 1 166 166 VAL C C 166 178.062 178.062 178.204 -0.142 17811 868 1 . 1 1 166 166 VAL CA C 166 66.792 66.792 67.177 -0.385 17811 869 1 . 1 1 166 166 VAL CB C 166 31.378 31.378 31.083 0.295 17811 870 1 . 1 1 166 166 VAL H H 166 8.605 8.605 8.042 0.563 17811 871 1 . 1 1 167 167 GLU N N 167 119.572 119.572 118.309 1.263 17811 872 1 . 1 1 167 167 GLU HA H 167 3.843 3.843 4.003 -0.160 17811 873 1 . 1 1 167 167 GLU C C 167 179.000 179.000 179.238 -0.238 17811 874 1 . 1 1 167 167 GLU CA C 167 59.805 59.805 59.218 0.587 17811 875 1 . 1 1 167 167 GLU CB C 167 29.186 29.186 29.097 0.089 17811 876 1 . 1 1 167 167 GLU H H 167 7.408 7.408 7.794 -0.386 17811 877 1 . 1 1 168 168 GLN N N 168 118.334 118.334 119.041 -0.707 17811 878 1 . 1 1 168 168 GLN HA H 168 3.967 3.967 3.897 0.070 17811 879 1 . 1 1 168 168 GLN C C 168 179.038 179.038 178.261 0.777 17811 880 1 . 1 1 168 168 GLN CA C 168 59.463 59.463 58.261 1.202 17811 881 1 . 1 1 168 168 GLN CB C 168 28.912 28.912 28.389 0.523 17811 882 1 . 1 1 168 168 GLN H H 168 8.298 8.298 7.814 0.484 17811 883 1 . 1 1 169 169 ALA N N 169 123.008 123.008 121.582 1.426 17811 884 1 . 1 1 169 169 ALA HA H 169 4.062 4.062 4.015 0.047 17811 885 1 . 1 1 169 169 ALA C C 169 180.408 180.408 179.344 1.064 17811 886 1 . 1 1 169 169 ALA CA C 169 55.216 55.216 54.792 0.424 17811 887 1 . 1 1 169 169 ALA CB C 169 19.185 19.185 18.139 1.046 17811 888 1 . 1 1 169 169 ALA H H 169 9.106 9.106 8.378 0.728 17811 889 1 . 1 1 170 170 ALA N N 170 125.275 125.275 121.358 3.917 17811 890 1 . 1 1 170 170 ALA HA H 170 3.930 3.930 4.016 -0.086 17811 891 1 . 1 1 170 170 ALA C C 170 178.831 178.831 179.070 -0.239 17811 892 1 . 1 1 170 170 ALA CA C 170 55.969 55.969 54.885 1.084 17811 893 1 . 1 1 170 170 ALA CB C 170 17.130 17.130 18.423 -1.293 17811 894 1 . 1 1 170 170 ALA H H 170 8.364 8.364 7.865 0.499 17811 895 1 . 1 1 171 171 ASP N N 171 120.702 120.702 118.826 1.876 17811 896 1 . 1 1 171 171 ASP HA H 171 4.253 4.253 4.395 -0.142 17811 897 1 . 1 1 171 171 ASP C C 171 179.507 179.507 178.202 1.305 17811 898 1 . 1 1 171 171 ASP CA C 171 57.887 57.887 57.105 0.782 17811 899 1 . 1 1 171 171 ASP CB C 171 39.735 39.735 40.909 -1.173 17811 900 1 . 1 1 171 171 ASP H H 171 8.656 8.656 7.811 0.845 17811 901 1 . 1 1 172 172 ALA N N 172 122.759 122.759 121.776 0.983 17811 902 1 . 1 1 172 172 ALA HA H 172 3.940 3.940 4.143 -0.203 17811 903 1 . 1 1 172 172 ALA C C 172 178.137 178.137 179.675 -1.538 17811 904 1 . 1 1 172 172 ALA CA C 172 55.010 55.010 55.168 -0.158 17811 905 1 . 1 1 172 172 ALA CB C 172 19.870 19.870 18.588 1.282 17811 906 1 . 1 1 172 172 ALA H H 172 9.380 9.380 7.887 1.493 17811 907 1 . 1 1 173 173 THR N N 173 115.154 115.154 113.383 1.771 17811 908 1 . 1 1 173 173 THR HA H 173 4.430 4.430 3.918 0.512 17811 909 1 . 1 1 173 173 THR C C 173 175.940 175.940 176.616 -0.676 17811 910 1 . 1 1 173 173 THR CA C 173 68.162 68.162 66.689 1.473 17811 911 1 . 1 1 173 173 THR CB C 173 68.162 68.162 68.407 -0.245 17811 912 1 . 1 1 173 173 THR H H 173 7.811 7.811 8.218 -0.407 17811 913 1 . 1 1 174 174 GLU N N 174 118.915 118.915 121.516 -2.601 17811 914 1 . 1 1 174 174 GLU HA H 174 3.644 3.644 4.047 -0.403 17811 915 1 . 1 1 174 174 GLU C C 174 178.475 178.475 178.588 -0.113 17811 916 1 . 1 1 174 174 GLU CA C 174 61.381 61.381 59.117 2.264 17811 917 1 . 1 1 174 174 GLU CB C 174 30.214 30.214 29.442 0.772 17811 918 1 . 1 1 174 174 GLU H H 174 7.832 7.832 7.874 -0.042 17811 919 1 . 1 1 175 175 LEU N N 175 119.457 119.457 120.858 -1.401 17811 920 1 . 1 1 175 175 LEU HA H 175 3.949 3.949 4.153 -0.204 17811 921 1 . 1 1 175 175 LEU C C 175 178.268 178.268 178.368 -0.100 17811 922 1 . 1 1 175 175 LEU CA C 175 58.230 58.230 57.371 0.859 17811 923 1 . 1 1 175 175 LEU CB C 175 42.475 42.475 41.892 0.583 17811 924 1 . 1 1 175 175 LEU H H 175 8.144 8.144 7.665 0.479 17811 925 1 . 1 1 176 176 LEU N N 176 120.413 120.413 120.098 0.315 17811 926 1 . 1 1 176 176 LEU HA H 176 3.591 3.591 4.265 -0.674 17811 927 1 . 1 1 176 176 LEU C C 176 177.799 177.799 178.819 -1.020 17811 928 1 . 1 1 176 176 LEU CA C 176 58.093 58.093 58.042 0.051 17811 929 1 . 1 1 176 176 LEU CB C 176 41.721 41.721 41.819 -0.098 17811 930 1 . 1 1 176 176 LEU H H 176 7.970 7.970 7.721 0.249 17811 931 1 . 1 1 177 177 ILE N N 177 115.277 115.277 116.284 -1.006 17811 932 1 . 1 1 177 177 ILE HA H 177 3.927 3.927 3.766 0.161 17811 933 1 . 1 1 177 177 ILE C C 177 177.123 177.123 177.643 -0.520 17811 934 1 . 1 1 177 177 ILE CA C 177 65.148 65.148 63.510 1.638 17811 935 1 . 1 1 177 177 ILE CB C 177 38.433 38.433 37.378 1.056 17811 936 1 . 1 1 177 177 ILE H H 177 7.576 7.576 7.614 -0.038 17811 937 1 . 1 1 178 178 ALA N N 178 118.887 118.887 122.237 -3.350 17811 938 1 . 1 1 178 178 ALA HA H 178 5.021 5.021 4.085 0.936 17811 939 1 . 1 1 178 178 ALA C C 178 179.901 179.901 178.517 1.384 17811 940 1 . 1 1 178 178 ALA CA C 178 54.668 54.668 54.588 0.080 17811 941 1 . 1 1 178 178 ALA CB C 178 20.624 20.624 19.120 1.504 17811 942 1 . 1 1 178 178 ALA H H 178 8.237 8.237 7.855 0.382 17811 943 1 . 1 1 179 179 GLN N N 179 112.225 112.225 115.055 -2.830 17811 944 1 . 1 1 179 179 GLN HA H 179 4.440 4.440 4.470 -0.030 17811 945 1 . 1 1 179 179 GLN C C 179 177.254 177.254 176.044 1.210 17811 946 1 . 1 1 179 179 GLN CA C 179 55.627 55.627 55.915 -0.288 17811 947 1 . 1 1 179 179 GLN CB C 179 30.762 30.762 32.009 -1.247 17811 948 1 . 1 1 179 179 GLN H H 179 8.646 8.646 8.224 0.422 17811 949 1 . 1 1 180 180 GLY N N 180 109.528 109.528 107.295 2.233 17811 950 1 . 1 1 180 180 GLY C C 180 173.095 173.095 173.558 -0.463 17811 951 1 . 1 1 180 180 GLY CA C 180 43.845 43.845 45.147 -1.301 17811 952 1 . 1 1 180 180 GLY H H 180 7.811 7.811 7.761 0.050 17811 953 1 . 1 1 181 181 LEU HA H 181 3.712 3.712 4.486 -0.774 17811 954 1 . 1 1 181 181 LEU C C 181 177.257 177.257 177.864 -0.607 17811 955 1 . 1 1 181 181 LEU CA C 181 59.463 59.463 56.768 2.695 17811 956 1 . 1 1 181 181 LEU CB C 181 42.612 42.612 42.135 0.476 17811 957 1 . 1 1 182 182 GLU N N 182 116.836 116.836 120.580 -3.744 17811 958 1 . 1 1 182 182 GLU HA H 182 4.227 4.227 4.193 0.034 17811 959 1 . 1 1 182 182 GLU C C 182 176.406 176.406 176.260 0.146 17811 960 1 . 1 1 182 182 GLU CA C 182 61.723 61.723 60.731 0.992 17811 961 1 . 1 1 182 182 GLU CB C 182 26.720 26.720 27.208 -0.488 17811 962 1 . 1 1 182 182 GLU H H 182 8.909 8.909 8.761 0.149 17811 963 1 . 1 1 183 183 PRO HA H 183 4.237 4.237 4.304 -0.067 17811 964 1 . 1 1 183 183 PRO C C 183 179.992 179.992 177.754 2.238 17811 965 1 . 1 1 183 183 PRO CA C 183 65.217 65.217 65.425 -0.208 17811 966 1 . 1 1 183 183 PRO CB C 183 31.173 31.173 31.143 0.030 17811 967 1 . 1 1 184 184 ALA N N 184 118.151 118.151 120.588 -2.437 17811 968 1 . 1 1 184 184 ALA HA H 184 3.835 3.835 4.108 -0.273 17811 969 1 . 1 1 184 184 ALA C C 184 179.526 179.526 179.508 0.018 17811 970 1 . 1 1 184 184 ALA CA C 184 55.490 55.490 54.877 0.613 17811 971 1 . 1 1 184 184 ALA CB C 184 18.158 18.158 18.453 -0.295 17811 972 1 . 1 1 184 184 ALA H H 184 7.350 7.350 7.778 -0.427 17811 973 1 . 1 1 185 185 GLN N N 185 118.148 118.148 117.130 1.018 17811 974 1 . 1 1 185 185 GLN HA H 185 3.006 3.006 4.001 -0.995 17811 975 1 . 1 1 185 185 GLN C C 185 177.555 177.555 178.206 -0.651 17811 976 1 . 1 1 185 185 GLN CA C 185 58.983 58.983 58.679 0.304 17811 977 1 . 1 1 185 185 GLN CB C 185 28.775 28.775 28.376 0.399 17811 978 1 . 1 1 185 185 GLN H H 185 8.848 8.848 8.325 0.523 17811 979 1 . 1 1 186 186 ASN N N 186 115.032 115.032 118.206 -3.174 17811 980 1 . 1 1 186 186 ASN HA H 186 4.161 4.161 4.594 -0.433 17811 981 1 . 1 1 186 186 ASN C C 186 177.160 177.160 177.402 -0.242 17811 982 1 . 1 1 186 186 ASN CA C 186 56.038 56.038 55.791 0.246 17811 983 1 . 1 1 186 186 ASN CB C 186 38.228 38.228 38.537 -0.309 17811 984 1 . 1 1 186 186 ASN H H 186 7.537 7.537 7.954 -0.417 17811 985 1 . 1 1 187 187 THR N N 187 114.421 114.421 116.712 -2.291 17811 986 1 . 1 1 187 187 THR HA H 187 3.864 3.864 4.138 -0.274 17811 987 1 . 1 1 187 187 THR C C 187 174.739 174.739 176.694 -1.954 17811 988 1 . 1 1 187 187 THR CA C 187 65.422 65.422 65.991 -0.569 17811 989 1 . 1 1 187 187 THR CB C 187 69.532 69.532 69.052 0.480 17811 990 1 . 1 1 187 187 THR H H 187 7.120 7.120 7.864 -0.744 17811 991 1 . 1 1 188 188 VAL N N 188 119.580 119.580 118.141 1.439 17811 992 1 . 1 1 188 188 VAL HA H 188 4.385 4.385 4.053 0.332 17811 993 1 . 1 1 188 188 VAL C C 188 178.043 178.043 176.594 1.449 17811 994 1 . 1 1 188 188 VAL CA C 188 64.326 64.326 65.088 -0.762 17811 995 1 . 1 1 188 188 VAL CB C 188 31.858 31.858 31.551 0.307 17811 996 1 . 1 1 188 188 VAL H H 188 8.333 8.333 7.833 0.500 17811 997 1 . 1 1 189 189 HIS N N 189 115.949 115.949 117.701 -1.752 17811 998 1 . 1 1 189 189 HIS HA H 189 4.670 4.670 4.593 0.077 17811 999 1 . 1 1 189 189 HIS C C 189 175.114 175.114 175.399 -0.285 17811 1000 1 . 1 1 189 189 HIS CA C 189 56.312 56.312 57.007 -0.695 17811 1001 1 . 1 1 189 189 HIS CB C 189 27.474 27.474 30.185 -2.711 17811 1002 1 . 1 1 189 189 HIS H H 189 8.674 8.674 7.741 0.933 17811 1003 1 . 1 1 190 190 ALA N N 190 120.346 120.346 121.005 -0.659 17811 1004 1 . 1 1 190 190 ALA HA H 190 4.584 4.584 4.254 0.330 17811 1005 1 . 1 1 190 190 ALA C C 190 177.906 177.906 176.786 1.120 17811 1006 1 . 1 1 190 190 ALA CA C 190 51.791 51.791 52.294 -0.503 17811 1007 1 . 1 1 190 190 ALA CB C 190 19.665 19.665 19.355 0.310 17811 1008 1 . 1 1 190 190 ALA H H 190 6.983 6.983 7.839 -0.856 17811 stop_ save_