data_18099 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18099 _Entry.PDB_ID 2LM5 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 18099 _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 32 32 SER N N 9 117.053 117.053 118.963 -1.910 18099 2 1 1 . 1 1 32 32 SER C C 9 174.637 174.637 175.464 -0.827 18099 3 1 1 . 1 1 32 32 SER CA C 9 57.078 57.078 57.425 -0.346 18099 4 1 1 . 1 1 32 32 SER CB C 9 64.513 64.513 65.169 -0.656 18099 5 1 1 . 1 1 32 32 SER H H 9 7.690 7.690 8.044 -0.354 18099 6 1 1 . 1 1 33 33 LYS C C 10 178.968 178.968 178.116 0.852 18099 7 1 1 . 1 1 33 33 LYS CA C 10 59.051 59.051 58.123 0.928 18099 8 1 1 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.995 -0.658 18099 9 1 1 . 1 1 34 34 GLU N N 11 120.114 120.114 119.646 0.468 18099 10 1 1 . 1 1 34 34 GLU C C 11 178.968 178.968 178.639 0.329 18099 11 1 1 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.699 0.908 18099 12 1 1 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.682 -0.715 18099 13 1 1 . 1 1 34 34 GLU H H 11 8.720 8.720 7.934 0.786 18099 14 1 1 . 1 1 35 35 LEU N N 12 122.738 122.738 121.215 1.523 18099 15 1 1 . 1 1 35 35 LEU C C 12 178.749 178.749 179.004 -0.255 18099 16 1 1 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.417 -0.392 18099 17 1 1 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.719 -0.605 18099 18 1 1 . 1 1 35 35 LEU H H 12 7.613 7.613 7.872 -0.259 18099 19 1 1 . 1 1 36 36 LEU N N 13 118.510 118.510 119.249 -0.739 18099 20 1 1 . 1 1 36 36 LEU C C 13 178.788 178.788 177.728 1.060 18099 21 1 1 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.829 -0.159 18099 22 1 1 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.328 -0.279 18099 23 1 1 . 1 1 36 36 LEU H H 13 8.252 8.252 7.507 0.745 18099 24 1 1 . 1 1 37 37 ALA N N 14 119.968 119.968 120.318 -0.350 18099 25 1 1 . 1 1 37 37 ALA C C 14 180.023 180.023 179.449 0.574 18099 26 1 1 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.792 -0.250 18099 27 1 1 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.817 -0.387 18099 28 1 1 . 1 1 37 37 ALA H H 14 7.664 7.664 7.740 -0.076 18099 29 1 1 . 1 1 38 38 GLU N N 15 119.239 119.239 118.796 0.443 18099 30 1 1 . 1 1 38 38 GLU C C 15 179.326 179.326 178.380 0.946 18099 31 1 1 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.771 -0.132 18099 32 1 1 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.465 -1.022 18099 33 1 1 . 1 1 38 38 GLU H H 15 7.501 7.501 7.464 0.037 18099 34 1 1 . 1 1 39 39 TYR N N 16 117.053 117.053 117.921 -0.868 18099 35 1 1 . 1 1 39 39 TYR C C 16 178.868 178.868 178.154 0.714 18099 36 1 1 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.846 -0.809 18099 37 1 1 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.354 -1.002 18099 38 1 1 . 1 1 39 39 TYR H H 16 8.156 8.156 7.408 0.748 18099 39 1 1 . 1 1 40 40 GLN N N 17 121.718 121.718 118.500 3.218 18099 40 1 1 . 1 1 40 40 GLN C C 17 176.938 176.938 177.476 -0.538 18099 41 1 1 . 1 1 40 40 GLN CA C 17 58.531 58.531 58.172 0.359 18099 42 1 1 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.326 0.186 18099 43 1 1 . 1 1 40 40 GLN H H 17 8.287 8.287 7.654 0.633 18099 44 1 1 . 1 1 41 41 ASP N N 18 117.636 117.636 120.405 -2.769 18099 45 1 1 . 1 1 41 41 ASP C C 18 177.336 177.336 177.021 0.315 18099 46 1 1 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.643 -1.050 18099 47 1 1 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.861 -0.298 18099 48 1 1 . 1 1 41 41 ASP H H 18 7.448 7.448 7.586 -0.138 18099 49 1 1 . 1 1 42 42 LEU N N 19 117.782 117.782 119.772 -1.990 18099 50 1 1 . 1 1 42 42 LEU C C 19 176.938 176.938 176.522 0.416 18099 51 1 1 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.723 0.815 18099 52 1 1 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.116 0.814 18099 53 1 1 . 1 1 42 42 LEU H H 19 7.444 7.444 8.533 -1.089 18099 54 1 1 . 1 1 43 43 THR N N 20 109.763 109.763 114.594 -4.831 18099 55 1 1 . 1 1 43 43 THR C C 20 173.096 173.096 175.452 -2.356 18099 56 1 1 . 1 1 43 43 THR CA C 20 60.145 60.145 62.669 -2.524 18099 57 1 1 . 1 1 43 43 THR CB C 20 71.461 71.461 70.654 0.807 18099 58 1 1 . 1 1 43 43 THR H H 20 7.348 7.348 8.036 -0.688 18099 59 1 1 . 1 1 44 44 PHE N N 21 117.490 117.490 121.652 -4.162 18099 60 1 1 . 1 1 44 44 PHE C C 21 175.465 175.465 175.296 0.169 18099 61 1 1 . 1 1 44 44 PHE CA C 21 56.810 56.810 57.934 -1.123 18099 62 1 1 . 1 1 44 44 PHE CB C 21 37.305 37.305 40.057 -2.752 18099 63 1 1 . 1 1 44 44 PHE H H 21 7.686 7.686 7.765 -0.079 18099 64 1 1 . 1 1 45 45 LEU N N 22 120.260 120.260 120.812 -0.552 18099 65 1 1 . 1 1 45 45 LEU C C 22 177.017 177.017 177.075 -0.058 18099 66 1 1 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.953 0.059 18099 67 1 1 . 1 1 45 45 LEU CB C 22 43.157 43.157 40.983 2.174 18099 68 1 1 . 1 1 45 45 LEU H H 22 7.350 7.350 7.764 -0.414 18099 69 1 1 . 1 1 46 46 THR N N 23 111.076 111.076 118.487 -7.411 18099 70 1 1 . 1 1 46 46 THR C C 23 176.002 176.002 174.829 1.173 18099 71 1 1 . 1 1 46 46 THR CA C 23 60.468 60.468 62.179 -1.711 18099 72 1 1 . 1 1 46 46 THR CB C 23 71.212 71.212 69.946 1.266 18099 73 1 1 . 1 1 46 46 THR H H 23 8.666 8.666 8.292 0.374 18099 74 1 1 . 1 1 47 47 LYS N N 24 120.260 120.260 118.744 1.516 18099 75 1 1 . 1 1 47 47 LYS C C 24 178.231 178.231 178.632 -0.401 18099 76 1 1 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.427 3.122 18099 77 1 1 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.547 -2.129 18099 78 1 1 . 1 1 47 47 LYS H H 24 8.598 8.598 8.263 0.335 18099 79 1 1 . 1 1 48 48 GLN N N 25 116.324 116.324 121.433 -5.109 18099 80 1 1 . 1 1 48 48 GLN C C 25 179.047 179.047 178.061 0.986 18099 81 1 1 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.281 -0.320 18099 82 1 1 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.643 -1.371 18099 83 1 1 . 1 1 48 48 GLN H H 25 8.390 8.390 8.550 -0.160 18099 84 1 1 . 1 1 49 49 GLU N N 26 119.677 119.677 119.995 -0.318 18099 85 1 1 . 1 1 49 49 GLU C C 26 179.804 179.804 179.483 0.321 18099 86 1 1 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.433 -0.364 18099 87 1 1 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.541 0.784 18099 88 1 1 . 1 1 49 49 GLU H H 26 7.644 7.644 7.960 -0.316 18099 89 1 1 . 1 1 50 50 ILE N N 27 123.613 123.613 119.279 4.334 18099 90 1 1 . 1 1 50 50 ILE C C 27 177.634 177.634 178.300 -0.666 18099 91 1 1 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.915 2.394 18099 92 1 1 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.762 0.310 18099 93 1 1 . 1 1 50 50 ILE H H 27 8.344 8.344 7.567 0.777 18099 94 1 1 . 1 1 51 51 LEU N N 28 120.697 120.697 122.595 -1.898 18099 95 1 1 . 1 1 51 51 LEU C C 28 180.620 180.620 178.812 1.808 18099 96 1 1 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.178 -0.077 18099 97 1 1 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.696 -0.950 18099 98 1 1 . 1 1 51 51 LEU H H 28 8.046 8.046 8.255 -0.209 18099 99 1 1 . 1 1 52 52 LEU N N 29 121.426 121.426 120.106 1.320 18099 100 1 1 . 1 1 52 52 LEU C C 29 178.968 178.968 178.491 0.477 18099 101 1 1 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.639 0.031 18099 102 1 1 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.332 -0.759 18099 103 1 1 . 1 1 52 52 LEU H H 29 7.998 7.998 8.364 -0.366 18099 104 1 1 . 1 1 53 53 ALA N N 30 122.447 122.447 121.250 1.197 18099 105 1 1 . 1 1 53 53 ALA C C 30 179.804 179.804 179.383 0.421 18099 106 1 1 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.279 -0.083 18099 107 1 1 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.087 0.017 18099 108 1 1 . 1 1 53 53 ALA H H 30 8.380 8.380 8.306 0.074 18099 109 1 1 . 1 1 54 54 HIS N N 31 118.656 118.656 119.367 -0.711 18099 110 1 1 . 1 1 54 54 HIS C C 31 177.475 177.475 177.293 0.182 18099 111 1 1 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.938 1.821 18099 112 1 1 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.118 0.501 18099 113 1 1 . 1 1 54 54 HIS H H 31 8.760 8.760 8.416 0.344 18099 114 1 1 . 1 1 55 55 ARG N N 32 121.135 121.135 118.690 2.445 18099 115 1 1 . 1 1 55 55 ARG C C 32 179.366 179.366 178.576 0.790 18099 116 1 1 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.304 0.303 18099 117 1 1 . 1 1 55 55 ARG CB C 32 28.965 28.965 30.017 -1.052 18099 118 1 1 . 1 1 55 55 ARG H H 32 7.926 7.926 7.692 0.234 18099 119 1 1 . 1 1 56 56 ARG N N 33 118.219 118.219 118.647 -0.428 18099 120 1 1 . 1 1 56 56 ARG C C 33 178.669 178.669 178.998 -0.329 18099 121 1 1 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.243 -0.095 18099 122 1 1 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.971 -0.813 18099 123 1 1 . 1 1 56 56 ARG H H 33 8.302 8.302 7.510 0.792 18099 124 1 1 . 1 1 57 57 PHE N N 34 120.989 120.989 117.484 3.505 18099 125 1 1 . 1 1 57 57 PHE C C 34 177.435 177.435 177.488 -0.053 18099 126 1 1 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.169 1.052 18099 127 1 1 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.349 1.200 18099 128 1 1 . 1 1 57 57 PHE H H 34 8.675 8.675 8.224 0.451 18099 129 1 1 . 1 1 58 58 CYS N N 35 114.283 114.283 118.780 -4.497 18099 130 1 1 . 1 1 58 58 CYS C C 35 176.958 176.958 176.842 0.116 18099 131 1 1 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.437 2.366 18099 132 1 1 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.415 0.201 18099 133 1 1 . 1 1 58 58 CYS H H 35 8.147 8.147 7.771 0.376 18099 134 1 1 . 1 1 59 59 GLU N N 36 116.615 116.615 119.686 -3.071 18099 135 1 1 . 1 1 59 59 GLU C C 36 177.276 177.276 177.679 -0.403 18099 136 1 1 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.746 -0.860 18099 137 1 1 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.394 -0.760 18099 138 1 1 . 1 1 59 59 GLU H H 36 7.237 7.237 7.549 -0.312 18099 139 1 1 . 1 1 60 60 LEU N N 37 116.615 116.615 117.112 -0.497 18099 140 1 1 . 1 1 60 60 LEU C C 37 176.778 176.778 177.253 -0.475 18099 141 1 1 . 1 1 60 60 LEU CA C 37 54.120 54.120 55.874 -1.754 18099 142 1 1 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.186 -1.427 18099 143 1 1 . 1 1 60 60 LEU H H 37 7.188 7.188 7.328 -0.140 18099 144 1 1 . 1 1 61 61 LEU N N 38 119.531 119.531 119.215 0.316 18099 145 1 1 . 1 1 61 61 LEU C C 38 174.848 174.848 174.336 0.512 18099 146 1 1 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.485 0.268 18099 147 1 1 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.641 -1.923 18099 148 1 1 . 1 1 61 61 LEU H H 38 7.060 7.060 7.271 -0.211 18099 149 1 1 . 1 1 63 63 GLN C C 40 177.754 177.754 178.271 -0.517 18099 150 1 1 . 1 1 63 63 GLN CA C 40 59.266 59.266 58.972 0.294 18099 151 1 1 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.297 -0.456 18099 152 1 1 . 1 1 64 64 GLU N N 41 117.053 117.053 117.745 -0.692 18099 153 1 1 . 1 1 64 64 GLU C C 41 177.276 177.276 177.762 -0.486 18099 154 1 1 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.234 -0.026 18099 155 1 1 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.299 -1.393 18099 156 1 1 . 1 1 64 64 GLU H H 41 9.287 9.287 8.556 0.731 18099 157 1 1 . 1 1 65 65 GLN N N 42 119.094 119.094 117.654 1.440 18099 158 1 1 . 1 1 65 65 GLN C C 42 174.171 174.171 175.896 -1.725 18099 159 1 1 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.223 -0.458 18099 160 1 1 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.435 0.834 18099 161 1 1 . 1 1 65 65 GLN H H 42 8.006 8.006 7.607 0.399 18099 162 1 1 . 1 1 66 66 ARG N N 43 115.157 115.157 118.899 -3.742 18099 163 1 1 . 1 1 66 66 ARG C C 43 176.221 176.221 176.326 -0.105 18099 164 1 1 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.099 0.033 18099 165 1 1 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.501 -1.323 18099 166 1 1 . 1 1 66 66 ARG H H 43 7.039 7.039 7.516 -0.477 18099 167 1 1 . 1 1 67 67 SER N N 44 114.720 114.720 115.697 -0.977 18099 168 1 1 . 1 1 67 67 SER C C 44 175.505 175.505 175.940 -0.435 18099 169 1 1 . 1 1 67 67 SER CA C 44 57.532 57.532 58.785 -1.253 18099 170 1 1 . 1 1 67 67 SER CB C 44 63.911 63.911 63.784 0.127 18099 171 1 1 . 1 1 67 67 SER H H 44 7.641 7.641 7.921 -0.280 18099 172 1 1 . 1 1 68 68 VAL C C 45 178.271 178.271 177.617 0.654 18099 173 1 1 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.340 1.996 18099 174 1 1 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.877 -1.466 18099 175 1 1 . 1 1 69 69 GLU N N 46 118.365 118.365 119.373 -1.008 18099 176 1 1 . 1 1 69 69 GLU C C 46 179.187 179.187 177.461 1.726 18099 177 1 1 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.010 0.705 18099 178 1 1 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.189 -0.977 18099 179 1 1 . 1 1 69 69 GLU H H 46 8.862 8.862 8.650 0.212 18099 180 1 1 . 1 1 70 70 SER N N 47 114.137 114.137 113.700 0.437 18099 181 1 1 . 1 1 70 70 SER C C 47 178.251 178.251 175.745 2.506 18099 182 1 1 . 1 1 70 70 SER CA C 47 61.113 61.113 60.822 0.291 18099 183 1 1 . 1 1 70 70 SER CB C 47 62.543 62.543 64.056 -1.513 18099 184 1 1 . 1 1 70 70 SER H H 47 7.588 7.588 7.585 0.003 18099 185 1 1 . 1 1 71 71 SER N N 48 121.280 121.280 119.328 1.952 18099 186 1 1 . 1 1 71 71 SER C C 48 176.102 176.102 175.780 0.322 18099 187 1 1 . 1 1 71 71 SER CA C 48 61.544 61.544 61.683 -0.139 18099 188 1 1 . 1 1 71 71 SER CB C 48 63.348 63.348 63.528 -0.180 18099 189 1 1 . 1 1 71 71 SER H H 48 8.785 8.785 7.917 0.868 18099 190 1 1 . 1 1 72 72 LEU N N 49 120.551 120.551 120.232 0.319 18099 191 1 1 . 1 1 72 72 LEU C C 49 177.555 177.555 178.629 -1.074 18099 192 1 1 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.387 -0.223 18099 193 1 1 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.338 -2.158 18099 194 1 1 . 1 1 72 72 LEU H H 49 7.216 7.216 8.263 -1.047 18099 195 1 1 . 1 1 73 73 ARG N N 50 116.469 116.469 117.757 -1.288 18099 196 1 1 . 1 1 73 73 ARG C C 50 175.942 175.942 175.900 0.042 18099 197 1 1 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.412 -1.647 18099 198 1 1 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.435 -0.754 18099 199 1 1 . 1 1 73 73 ARG H H 50 7.394 7.394 8.142 -0.748 18099 200 1 1 . 1 1 74 74 ALA N N 51 123.904 123.904 121.422 2.482 18099 201 1 1 . 1 1 74 74 ALA C C 51 176.778 176.778 175.888 0.890 18099 202 1 1 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.144 1.147 18099 203 1 1 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.024 0.024 18099 204 1 1 . 1 1 74 74 ALA H H 51 7.263 7.263 7.645 -0.382 18099 205 1 1 . 1 1 75 75 GLN N N 52 118.073 118.073 119.461 -1.388 18099 206 1 1 . 1 1 75 75 GLN C C 52 175.524 175.524 175.527 -0.003 18099 207 1 1 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.145 -1.348 18099 208 1 1 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.255 -0.039 18099 209 1 1 . 1 1 75 75 GLN H H 52 8.283 8.283 8.381 -0.098 18099 210 1 1 . 1 1 76 76 VAL N N 53 124.925 124.925 121.136 3.789 18099 211 1 1 . 1 1 76 76 VAL C C 53 173.753 173.753 173.954 -0.201 18099 212 1 1 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.857 -0.003 18099 213 1 1 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.516 0.506 18099 214 1 1 . 1 1 76 76 VAL H H 53 9.093 9.093 8.143 0.950 18099 215 1 1 . 1 1 77 77 PRO C C 54 178.132 178.132 177.260 0.872 18099 216 1 1 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.332 -1.161 18099 217 1 1 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.294 -0.038 18099 218 1 1 . 1 1 78 78 PHE N N 55 120.406 120.406 122.452 -2.046 18099 219 1 1 . 1 1 78 78 PHE C C 55 177.236 177.236 176.995 0.241 18099 220 1 1 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.359 -4.473 18099 221 1 1 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.580 -3.313 18099 222 1 1 . 1 1 78 78 PHE H H 55 7.897 7.897 9.038 -1.141 18099 223 1 1 . 1 1 79 79 GLU N N 56 117.636 117.636 117.721 -0.085 18099 224 1 1 . 1 1 79 79 GLU C C 56 178.410 178.410 178.236 0.174 18099 225 1 1 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.691 0.454 18099 226 1 1 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.284 0.093 18099 227 1 1 . 1 1 79 79 GLU H H 56 9.202 9.202 8.678 0.524 18099 228 1 1 . 1 1 80 80 GLN N N 57 114.429 114.429 117.188 -2.759 18099 229 1 1 . 1 1 80 80 GLN C C 57 178.012 178.012 178.005 0.007 18099 230 1 1 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.685 -1.338 18099 231 1 1 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.184 1.169 18099 232 1 1 . 1 1 80 80 GLN H H 57 7.332 7.332 8.432 -1.100 18099 233 1 1 . 1 1 81 81 ILE N N 58 120.989 120.989 118.158 2.831 18099 234 1 1 . 1 1 81 81 ILE C C 58 177.236 177.236 178.559 -1.323 18099 235 1 1 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.177 -1.386 18099 236 1 1 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.185 -0.894 18099 237 1 1 . 1 1 81 81 ILE H H 58 7.375 7.375 7.534 -0.159 18099 238 1 1 . 1 1 82 82 LEU N N 59 116.469 116.469 117.454 -0.985 18099 239 1 1 . 1 1 82 82 LEU C C 59 176.360 176.360 176.839 -0.479 18099 240 1 1 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.615 -0.236 18099 241 1 1 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.521 -0.846 18099 242 1 1 . 1 1 82 82 LEU H H 59 8.144 8.144 7.270 0.874 18099 243 1 1 . 1 1 83 83 SER N N 60 110.347 110.347 113.626 -3.279 18099 244 1 1 . 1 1 83 83 SER C C 60 174.708 174.708 174.565 0.143 18099 245 1 1 . 1 1 83 83 SER CA C 60 58.316 58.316 59.943 -1.627 18099 246 1 1 . 1 1 83 83 SER CB C 60 64.074 64.074 62.974 1.100 18099 247 1 1 . 1 1 83 83 SER H H 60 7.038 7.038 7.437 -0.399 18099 248 1 1 . 1 1 84 84 LEU N N 61 124.633 124.633 122.471 2.162 18099 249 1 1 . 1 1 84 84 LEU C C 61 176.599 176.599 174.353 2.246 18099 250 1 1 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.244 1.445 18099 251 1 1 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.195 -2.792 18099 252 1 1 . 1 1 84 84 LEU H H 61 7.674 7.674 7.396 0.278 18099 253 1 1 . 1 1 85 85 PRO C C 62 178.457 178.457 178.254 0.203 18099 254 1 1 . 1 1 85 85 PRO CA C 62 65.328 65.328 64.641 0.688 18099 255 1 1 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.787 -0.877 18099 256 1 1 . 1 1 86 86 GLU N N 63 117.198 117.198 119.156 -1.958 18099 257 1 1 . 1 1 86 86 GLU C C 63 176.280 176.280 179.194 -2.914 18099 258 1 1 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.416 0.279 18099 259 1 1 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.102 -1.378 18099 260 1 1 . 1 1 86 86 GLU H H 63 10.005 10.005 8.489 1.516 18099 261 1 1 . 1 1 87 87 LEU N N 64 115.595 115.595 118.888 -3.293 18099 262 1 1 . 1 1 87 87 LEU C C 64 178.197 178.197 178.999 -0.802 18099 263 1 1 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.445 -2.184 18099 264 1 1 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.585 2.209 18099 265 1 1 . 1 1 87 87 LEU H H 64 7.347 7.347 7.954 -0.607 18099 266 1 1 . 1 1 88 88 LYS N N 65 119.677 119.677 121.319 -1.642 18099 267 1 1 . 1 1 88 88 LYS C C 65 176.891 176.891 177.822 -0.931 18099 268 1 1 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.967 0.990 18099 269 1 1 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.396 -0.866 18099 270 1 1 . 1 1 88 88 LYS H H 65 7.841 7.841 7.404 0.437 18099 271 1 1 . 1 1 89 89 ALA C C 66 176.503 176.503 177.332 -0.829 18099 272 1 1 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.403 -2.577 18099 273 1 1 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.683 -0.588 18099 274 1 1 . 1 1 90 90 ASN N N 67 123.467 123.467 117.841 5.626 18099 275 1 1 . 1 1 90 90 ASN C C 67 175.955 175.955 174.140 1.815 18099 276 1 1 . 1 1 90 90 ASN CA C 67 50.930 50.930 49.823 1.107 18099 277 1 1 . 1 1 90 90 ASN CB C 67 40.190 40.190 37.858 2.333 18099 278 1 1 . 1 1 90 90 ASN H H 67 7.847 7.847 7.361 0.486 18099 279 1 1 . 1 1 91 91 PRO C C 68 176.918 176.918 174.897 2.021 18099 280 1 1 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.791 0.102 18099 281 1 1 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.288 0.064 18099 282 1 1 . 1 1 92 92 PHE N N 69 116.178 116.178 112.964 3.214 18099 283 1 1 . 1 1 92 92 PHE C C 69 176.977 176.977 175.697 1.280 18099 284 1 1 . 1 1 92 92 PHE CA C 69 56.917 56.917 55.719 1.198 18099 285 1 1 . 1 1 92 92 PHE CB C 69 38.077 38.077 38.071 0.007 18099 286 1 1 . 1 1 92 92 PHE H H 69 9.006 9.006 7.292 1.714 18099 287 1 1 . 1 1 93 93 LYS N N 70 119.385 119.385 122.164 -2.779 18099 288 1 1 . 1 1 93 93 LYS C C 70 175.982 175.982 177.858 -1.876 18099 289 1 1 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.992 0.476 18099 290 1 1 . 1 1 93 93 LYS CB C 70 31.026 31.026 32.042 -1.016 18099 291 1 1 . 1 1 93 93 LYS H H 70 7.693 7.693 8.017 -0.324 18099 292 1 1 . 1 1 94 94 GLU N N 71 120.406 120.406 119.641 0.765 18099 293 1 1 . 1 1 94 94 GLU C C 71 179.007 179.007 179.078 -0.071 18099 294 1 1 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.427 1.149 18099 295 1 1 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.279 -1.197 18099 296 1 1 . 1 1 94 94 GLU H H 71 8.549 8.549 8.757 -0.208 18099 297 1 1 . 1 1 95 95 ARG N N 72 119.677 119.677 119.756 -0.079 18099 298 1 1 . 1 1 95 95 ARG C C 72 178.112 178.112 178.945 -0.833 18099 299 1 1 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.213 -2.726 18099 300 1 1 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.364 -1.657 18099 301 1 1 . 1 1 95 95 ARG H H 72 7.495 7.495 7.479 0.016 18099 302 1 1 . 1 1 96 96 ILE N N 73 119.094 119.094 120.951 -1.857 18099 303 1 1 . 1 1 96 96 ILE C C 73 177.276 177.276 177.695 -0.419 18099 304 1 1 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.602 0.461 18099 305 1 1 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.860 -0.631 18099 306 1 1 . 1 1 96 96 ILE H H 73 8.535 8.535 8.604 -0.069 18099 307 1 1 . 1 1 97 97 CYS N N 74 115.157 115.157 117.311 -2.154 18099 308 1 1 . 1 1 97 97 CYS C C 74 174.848 174.848 177.035 -2.187 18099 309 1 1 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.519 2.575 18099 310 1 1 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.596 -2.029 18099 311 1 1 . 1 1 97 97 CYS H H 74 7.235 7.235 7.882 -0.647 18099 312 1 1 . 1 1 98 98 ARG N N 75 115.886 115.886 121.468 -5.582 18099 313 1 1 . 1 1 98 98 ARG C C 75 178.470 178.470 178.045 0.425 18099 314 1 1 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.621 -0.122 18099 315 1 1 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.027 -0.729 18099 316 1 1 . 1 1 98 98 ARG H H 75 7.136 7.136 7.883 -0.747 18099 317 1 1 . 1 1 99 99 VAL N N 76 117.198 117.198 117.877 -0.679 18099 318 1 1 . 1 1 99 99 VAL C C 76 177.236 177.236 177.556 -0.320 18099 319 1 1 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.713 -0.726 18099 320 1 1 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.764 -0.917 18099 321 1 1 . 1 1 99 99 VAL H H 76 8.043 8.043 7.993 0.050 18099 322 1 1 . 1 1 100 100 PHE N N 77 115.595 115.595 118.456 -2.861 18099 323 1 1 . 1 1 100 100 PHE C C 77 175.007 175.007 176.243 -1.236 18099 324 1 1 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.950 0.518 18099 325 1 1 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.060 -1.274 18099 326 1 1 . 1 1 100 100 PHE H H 77 7.436 7.436 8.021 -0.585 18099 327 1 1 . 1 1 101 101 SER N N 78 112.533 112.533 113.700 -1.167 18099 328 1 1 . 1 1 101 101 SER C C 78 177.156 177.156 173.753 3.403 18099 329 1 1 . 1 1 101 101 SER CA C 78 58.639 58.639 58.266 0.373 18099 330 1 1 . 1 1 101 101 SER CB C 78 64.208 64.208 65.044 -0.836 18099 331 1 1 . 1 1 101 101 SER H H 78 7.156 7.156 8.229 -1.073 18099 332 1 1 . 1 1 102 102 THR N N 79 120.551 120.551 115.509 5.042 18099 333 1 1 . 1 1 102 102 THR C C 79 175.763 175.763 173.461 2.302 18099 334 1 1 . 1 1 102 102 THR CA C 79 61.328 61.328 61.412 -0.084 18099 335 1 1 . 1 1 102 102 THR CB C 79 68.647 68.647 71.082 -2.435 18099 336 1 1 . 1 1 102 102 THR H H 79 9.267 9.267 8.292 0.975 18099 337 1 1 . 1 1 103 103 SER N N 80 121.280 121.280 121.256 0.024 18099 338 1 1 . 1 1 103 103 SER C C 80 175.743 175.743 172.984 2.759 18099 339 1 1 . 1 1 103 103 SER CA C 80 56.164 56.164 56.243 -0.079 18099 340 1 1 . 1 1 103 103 SER CB C 80 63.221 63.221 63.300 -0.079 18099 341 1 1 . 1 1 103 103 SER H H 80 8.120 8.120 8.030 0.090 18099 342 1 1 . 1 1 104 104 PRO C C 81 177.654 177.654 176.513 1.141 18099 343 1 1 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.215 1.184 18099 344 1 1 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.037 -0.655 18099 345 1 1 . 1 1 105 105 ALA N N 82 117.927 117.927 119.836 -1.909 18099 346 1 1 . 1 1 105 105 ALA C C 82 177.077 177.077 176.494 0.583 18099 347 1 1 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.333 0.097 18099 348 1 1 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.563 -1.540 18099 349 1 1 . 1 1 105 105 ALA H H 82 7.961 7.961 8.108 -0.147 18099 350 1 1 . 1 1 106 106 LYS N N 83 115.449 115.449 114.691 0.758 18099 351 1 1 . 1 1 106 106 LYS C C 83 175.206 175.206 175.153 0.053 18099 352 1 1 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.805 -0.964 18099 353 1 1 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.875 -1.415 18099 354 1 1 . 1 1 106 106 LYS H H 83 7.984 7.984 8.109 -0.125 18099 355 1 1 . 1 1 107 107 ASP N N 84 112.242 112.242 113.795 -1.553 18099 356 1 1 . 1 1 107 107 ASP C C 84 175.823 175.823 175.559 0.264 18099 357 1 1 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.029 -1.738 18099 358 1 1 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.924 -0.328 18099 359 1 1 . 1 1 107 107 ASP H H 84 7.670 7.670 8.273 -0.603 18099 360 1 1 . 1 1 108 108 SER N N 85 113.554 113.554 113.329 0.225 18099 361 1 1 . 1 1 108 108 SER C C 85 172.897 172.897 173.052 -0.155 18099 362 1 1 . 1 1 108 108 SER CA C 85 57.132 57.132 57.081 0.051 18099 363 1 1 . 1 1 108 108 SER CB C 85 65.347 65.347 66.213 -0.866 18099 364 1 1 . 1 1 108 108 SER H H 85 7.271 7.271 7.412 -0.141 18099 365 1 1 . 1 1 109 109 LEU N N 86 121.426 121.426 120.878 0.548 18099 366 1 1 . 1 1 109 109 LEU C C 86 176.400 176.400 175.711 0.689 18099 367 1 1 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.126 0.424 18099 368 1 1 . 1 1 109 109 LEU CB C 86 44.020 44.020 45.812 -1.792 18099 369 1 1 . 1 1 109 109 LEU H H 86 9.179 9.179 8.086 1.093 18099 370 1 1 . 1 1 110 110 SER N N 87 117.927 117.927 117.261 0.666 18099 371 1 1 . 1 1 110 110 SER C C 87 174.808 174.808 175.517 -0.709 18099 372 1 1 . 1 1 110 110 SER CA C 87 56.056 56.056 56.209 -0.153 18099 373 1 1 . 1 1 110 110 SER CB C 87 65.644 65.644 64.804 0.840 18099 374 1 1 . 1 1 110 110 SER H H 87 8.305 8.305 8.812 -0.507 18099 375 1 1 . 1 1 111 111 PHE N N 88 122.592 122.592 125.267 -2.675 18099 376 1 1 . 1 1 111 111 PHE C C 88 176.798 176.798 176.760 0.038 18099 377 1 1 . 1 1 111 111 PHE CA C 88 60.468 60.468 59.013 1.455 18099 378 1 1 . 1 1 111 111 PHE CB C 88 37.160 37.160 37.805 -0.645 18099 379 1 1 . 1 1 111 111 PHE H H 88 9.850 9.850 9.047 0.803 18099 380 1 1 . 1 1 112 112 GLU N N 89 117.782 117.782 120.834 -3.052 18099 381 1 1 . 1 1 112 112 GLU C C 89 178.490 178.490 178.428 0.062 18099 382 1 1 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.412 0.733 18099 383 1 1 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.568 -0.520 18099 384 1 1 . 1 1 112 112 GLU H H 89 8.233 8.233 6.953 1.280 18099 385 1 1 . 1 1 113 113 ASP N N 90 121.572 121.572 119.787 1.785 18099 386 1 1 . 1 1 113 113 ASP C C 90 177.714 177.714 178.863 -1.149 18099 387 1 1 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.205 -0.180 18099 388 1 1 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.489 1.210 18099 389 1 1 . 1 1 113 113 ASP H H 90 7.691 7.691 8.032 -0.341 18099 390 1 1 . 1 1 114 114 PHE N N 91 121.135 121.135 120.801 0.334 18099 391 1 1 . 1 1 114 114 PHE C C 91 176.460 176.460 177.451 -0.991 18099 392 1 1 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.582 -1.545 18099 393 1 1 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.298 -0.097 18099 394 1 1 . 1 1 114 114 PHE H H 91 8.214 8.214 7.906 0.308 18099 395 1 1 . 1 1 115 115 LEU N N 92 118.365 118.365 119.789 -1.424 18099 396 1 1 . 1 1 115 115 LEU C C 92 179.187 179.187 178.300 0.887 18099 397 1 1 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.881 -0.749 18099 398 1 1 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.759 -1.483 18099 399 1 1 . 1 1 115 115 LEU H H 92 8.189 8.189 8.205 -0.016 18099 400 1 1 . 1 1 116 116 ASP N N 93 120.843 120.843 120.231 0.612 18099 401 1 1 . 1 1 116 116 ASP C C 93 177.336 177.336 179.043 -1.707 18099 402 1 1 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.951 -0.711 18099 403 1 1 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.738 -0.874 18099 404 1 1 . 1 1 116 116 ASP H H 93 7.640 7.640 8.416 -0.776 18099 405 1 1 . 1 1 117 117 LEU N N 94 122.447 122.447 120.925 1.522 18099 406 1 1 . 1 1 117 117 LEU C C 94 177.853 177.853 178.366 -0.513 18099 407 1 1 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.615 -0.052 18099 408 1 1 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.443 -0.773 18099 409 1 1 . 1 1 117 117 LEU H H 94 7.480 7.480 7.960 -0.480 18099 410 1 1 . 1 1 118 118 LEU N N 95 116.907 116.907 120.149 -3.242 18099 411 1 1 . 1 1 118 118 LEU C C 95 180.923 180.923 178.775 2.148 18099 412 1 1 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.820 -0.580 18099 413 1 1 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.359 -1.031 18099 414 1 1 . 1 1 118 118 LEU H H 95 7.892 7.892 7.452 0.440 18099 415 1 1 . 1 1 119 119 SER N N 96 116.032 116.032 114.543 1.489 18099 416 1 1 . 1 1 119 119 SER C C 96 176.343 176.343 177.080 -0.737 18099 417 1 1 . 1 1 119 119 SER H H 96 8.410 8.410 8.037 0.373 18099 418 1 1 . 1 1 120 120 VAL N N 97 119.385 119.385 121.383 -1.998 18099 419 1 1 . 1 1 120 120 VAL C C 97 176.280 176.280 177.461 -1.181 18099 420 1 1 . 1 1 120 120 VAL CA C 97 65.026 65.026 65.996 -0.970 18099 421 1 1 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.692 -1.641 18099 422 1 1 . 1 1 120 120 VAL H H 97 7.255 7.255 8.111 -0.856 18099 423 1 1 . 1 1 121 121 PHE N N 98 116.761 116.761 118.064 -1.303 18099 424 1 1 . 1 1 121 121 PHE C C 98 176.206 176.206 176.395 -0.189 18099 425 1 1 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.141 1.056 18099 426 1 1 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.078 -0.184 18099 427 1 1 . 1 1 121 121 PHE H H 98 7.151 7.151 8.088 -0.937 18099 428 1 1 . 1 1 122 122 SER N N 99 115.449 115.449 115.402 0.047 18099 429 1 1 . 1 1 122 122 SER C C 99 177.006 177.006 175.225 1.781 18099 430 1 1 . 1 1 122 122 SER CA C 99 58.486 58.486 60.881 -2.395 18099 431 1 1 . 1 1 122 122 SER CB C 99 63.834 63.834 64.244 -0.410 18099 432 1 1 . 1 1 122 122 SER H H 99 7.270 7.270 7.692 -0.422 18099 433 1 1 . 1 1 123 123 ASP C C 100 177.042 177.042 177.330 -0.288 18099 434 1 1 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.306 0.873 18099 435 1 1 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.540 -2.304 18099 436 1 1 . 1 1 124 124 THR N N 101 111.076 111.076 116.337 -5.261 18099 437 1 1 . 1 1 124 124 THR C C 101 174.909 174.909 175.256 -0.347 18099 438 1 1 . 1 1 124 124 THR CA C 101 62.052 62.052 64.646 -2.594 18099 439 1 1 . 1 1 124 124 THR CB C 101 68.486 68.486 68.912 -0.426 18099 440 1 1 . 1 1 124 124 THR H H 101 8.147 8.147 7.915 0.232 18099 441 1 1 . 1 1 125 125 ALA N N 102 124.196 124.196 124.992 -0.796 18099 442 1 1 . 1 1 125 125 ALA C C 102 176.760 176.760 176.722 0.038 18099 443 1 1 . 1 1 125 125 ALA CA C 102 51.503 51.503 51.881 -0.378 18099 444 1 1 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.614 0.678 18099 445 1 1 . 1 1 125 125 ALA H H 102 6.801 6.801 7.335 -0.534 18099 446 1 1 . 1 1 126 126 THR N N 103 111.513 111.513 116.690 -5.177 18099 447 1 1 . 1 1 126 126 THR C C 103 173.925 173.925 174.305 -0.380 18099 448 1 1 . 1 1 126 126 THR CA C 103 59.311 59.311 59.318 -0.007 18099 449 1 1 . 1 1 126 126 THR CB C 103 67.581 67.581 68.795 -1.214 18099 450 1 1 . 1 1 126 126 THR H H 103 6.254 6.254 7.710 -1.456 18099 451 1 1 . 1 1 127 127 PRO C C 104 178.402 178.402 178.502 -0.100 18099 452 1 1 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.360 -1.226 18099 453 1 1 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.621 -1.072 18099 454 1 1 . 1 1 128 128 ASP N N 105 116.469 116.469 116.160 0.309 18099 455 1 1 . 1 1 128 128 ASP C C 105 178.059 178.059 178.483 -0.424 18099 456 1 1 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.073 -0.205 18099 457 1 1 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.288 -0.942 18099 458 1 1 . 1 1 128 128 ASP H H 105 8.341 8.341 8.594 -0.253 18099 459 1 1 . 1 1 129 129 ILE N N 106 122.738 122.738 119.429 3.309 18099 460 1 1 . 1 1 129 129 ILE C C 106 178.111 178.111 178.248 -0.137 18099 461 1 1 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.028 1.222 18099 462 1 1 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.452 0.297 18099 463 1 1 . 1 1 129 129 ILE H H 106 7.443 7.443 7.535 -0.092 18099 464 1 1 . 1 1 130 130 LYS N N 107 119.677 119.677 122.127 -2.450 18099 465 1 1 . 1 1 130 130 LYS C C 107 178.667 178.667 178.925 -0.258 18099 466 1 1 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.794 -0.741 18099 467 1 1 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.600 0.461 18099 468 1 1 . 1 1 130 130 LYS H H 107 7.599 7.599 8.762 -1.163 18099 469 1 1 . 1 1 131 131 SER N N 108 113.117 113.117 115.633 -2.516 18099 470 1 1 . 1 1 131 131 SER C C 108 175.513 175.513 176.793 -1.280 18099 471 1 1 . 1 1 131 131 SER CA C 108 61.857 61.857 61.970 -0.113 18099 472 1 1 . 1 1 131 131 SER CB C 108 63.068 63.068 62.196 0.872 18099 473 1 1 . 1 1 131 131 SER H H 108 8.470 8.470 8.054 0.416 18099 474 1 1 . 1 1 132 132 HIS N N 109 123.175 123.175 123.782 -0.607 18099 475 1 1 . 1 1 132 132 HIS C C 109 178.143 178.143 177.745 0.398 18099 476 1 1 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.417 -1.145 18099 477 1 1 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.085 -0.205 18099 478 1 1 . 1 1 132 132 HIS H H 109 7.991 7.991 7.727 0.264 18099 479 1 1 . 1 1 133 133 TYR N N 110 115.595 115.595 118.231 -2.636 18099 480 1 1 . 1 1 133 133 TYR C C 110 177.946 177.946 177.924 0.022 18099 481 1 1 . 1 1 133 133 TYR CA C 110 63.475 63.475 60.906 2.569 18099 482 1 1 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.888 -0.131 18099 483 1 1 . 1 1 133 133 TYR H H 110 8.060 8.060 8.604 -0.544 18099 484 1 1 . 1 1 134 134 ALA N N 111 122.009 122.009 122.722 -0.713 18099 485 1 1 . 1 1 134 134 ALA C C 111 175.937 175.937 179.198 -3.261 18099 486 1 1 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.162 0.032 18099 487 1 1 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.921 -0.123 18099 488 1 1 . 1 1 134 134 ALA H H 111 8.293 8.293 8.527 -0.234 18099 489 1 1 . 1 1 135 135 PHE N N 112 116.615 116.615 119.903 -3.288 18099 490 1 1 . 1 1 135 135 PHE C C 112 175.710 175.710 177.454 -1.744 18099 491 1 1 . 1 1 135 135 PHE CA C 112 61.706 61.706 61.168 0.538 18099 492 1 1 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.725 -0.585 18099 493 1 1 . 1 1 135 135 PHE H H 112 7.589 7.589 8.040 -0.451 18099 494 1 1 . 1 1 136 136 ARG N N 113 113.262 113.262 118.678 -5.416 18099 495 1 1 . 1 1 136 136 ARG C C 113 179.471 179.471 178.457 1.014 18099 496 1 1 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.362 -1.166 18099 497 1 1 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.023 -1.049 18099 498 1 1 . 1 1 136 136 ARG H H 113 7.090 7.090 7.586 -0.496 18099 499 1 1 . 1 1 137 137 ILE N N 114 120.843 120.843 118.990 1.853 18099 500 1 1 . 1 1 137 137 ILE C C 114 176.198 176.198 177.624 -1.426 18099 501 1 1 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.194 0.228 18099 502 1 1 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.205 -2.517 18099 503 1 1 . 1 1 137 137 ILE H H 114 7.703 7.703 8.042 -0.339 18099 504 1 1 . 1 1 138 138 PHE N N 115 117.636 117.636 117.651 -0.015 18099 505 1 1 . 1 1 138 138 PHE C C 115 173.157 173.157 176.277 -3.120 18099 506 1 1 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.525 -5.054 18099 507 1 1 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.732 -2.805 18099 508 1 1 . 1 1 138 138 PHE H H 115 7.185 7.185 8.564 -1.379 18099 509 1 1 . 1 1 139 139 ASP N N 116 118.365 118.365 119.038 -0.673 18099 510 1 1 . 1 1 139 139 ASP C C 116 176.437 176.437 177.757 -1.320 18099 511 1 1 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.156 -2.295 18099 512 1 1 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.636 -2.622 18099 513 1 1 . 1 1 139 139 ASP H H 116 6.856 6.856 7.415 -0.559 18099 514 1 1 . 1 1 140 140 PHE N N 117 121.864 121.864 128.312 -6.448 18099 515 1 1 . 1 1 140 140 PHE C C 117 176.620 176.620 175.677 0.943 18099 516 1 1 . 1 1 140 140 PHE CA C 117 62.410 62.410 60.833 1.577 18099 517 1 1 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.189 0.065 18099 518 1 1 . 1 1 140 140 PHE H H 117 7.462 7.462 8.238 -0.776 18099 519 1 1 . 1 1 141 141 ASP N N 118 114.866 114.866 116.766 -1.900 18099 520 1 1 . 1 1 141 141 ASP C C 118 176.206 176.206 175.752 0.454 18099 521 1 1 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.228 -2.694 18099 522 1 1 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.476 -1.264 18099 523 1 1 . 1 1 141 141 ASP H H 118 8.048 8.048 8.153 -0.105 18099 524 1 1 . 1 1 142 142 ASP N N 119 116.761 116.761 116.223 0.538 18099 525 1 1 . 1 1 142 142 ASP C C 119 175.386 175.386 175.962 -0.576 18099 526 1 1 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.636 0.728 18099 527 1 1 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.410 0.665 18099 528 1 1 . 1 1 142 142 ASP H H 119 8.144 8.144 8.068 0.076 18099 529 1 1 . 1 1 143 143 ASP N N 120 119.094 119.094 117.448 1.646 18099 530 1 1 . 1 1 143 143 ASP C C 120 178.404 178.404 177.322 1.082 18099 531 1 1 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.953 -1.020 18099 532 1 1 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.912 -0.984 18099 533 1 1 . 1 1 143 143 ASP H H 120 8.124 8.124 8.561 -0.437 18099 534 1 1 . 1 1 144 144 GLY N N 121 115.303 115.303 108.323 6.980 18099 535 1 1 . 1 1 144 144 GLY C C 121 173.571 173.571 174.348 -0.777 18099 536 1 1 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.206 -0.034 18099 537 1 1 . 1 1 144 144 GLY H H 121 10.971 10.971 8.867 2.104 18099 538 1 1 . 1 1 145 145 THR N N 122 110.930 110.930 118.274 -7.344 18099 539 1 1 . 1 1 145 145 THR C C 122 173.029 173.029 174.094 -1.065 18099 540 1 1 . 1 1 145 145 THR CA C 122 59.944 59.944 62.806 -2.862 18099 541 1 1 . 1 1 145 145 THR CB C 122 72.345 72.345 70.210 2.135 18099 542 1 1 . 1 1 145 145 THR H H 122 7.728 7.728 8.245 -0.517 18099 543 1 1 . 1 1 146 146 LEU N N 123 125.508 125.508 123.477 2.031 18099 544 1 1 . 1 1 146 146 LEU C C 123 175.815 175.815 175.869 -0.054 18099 545 1 1 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.255 0.118 18099 546 1 1 . 1 1 146 146 LEU CB C 123 39.905 39.905 44.209 -4.304 18099 547 1 1 . 1 1 146 146 LEU H H 123 9.627 9.627 8.207 1.420 18099 548 1 1 . 1 1 147 147 ASN N N 124 123.904 123.904 121.607 2.297 18099 549 1 1 . 1 1 147 147 ASN CA C 124 49.532 49.532 50.870 -1.339 18099 550 1 1 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.182 -0.867 18099 551 1 1 . 1 1 147 147 ASN H H 124 8.700 8.700 8.169 0.531 18099 552 1 1 . 1 1 148 148 ARG C C 125 178.331 178.331 178.566 -0.235 18099 553 1 1 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.514 0.387 18099 554 1 1 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.046 -0.778 18099 555 1 1 . 1 1 149 149 GLU N N 126 120.114 120.114 119.417 0.697 18099 556 1 1 . 1 1 149 149 GLU C C 126 179.537 179.537 179.244 0.293 18099 557 1 1 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.345 -0.054 18099 558 1 1 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.367 -1.373 18099 559 1 1 . 1 1 149 149 GLU H H 126 7.679 7.679 8.475 -0.796 18099 560 1 1 . 1 1 150 150 ASP N N 127 122.009 122.009 121.623 0.386 18099 561 1 1 . 1 1 150 150 ASP C C 127 180.544 180.544 178.412 2.132 18099 562 1 1 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.282 0.820 18099 563 1 1 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.235 0.343 18099 564 1 1 . 1 1 150 150 ASP H H 127 8.242 8.242 9.187 -0.945 18099 565 1 1 . 1 1 151 151 LEU C C 128 178.251 178.251 178.638 -0.387 18099 566 1 1 . 1 1 151 151 LEU CA C 128 57.114 57.114 58.005 -0.891 18099 567 1 1 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.586 -0.438 18099 568 1 1 . 1 1 152 152 SER N N 129 116.324 116.324 113.270 3.054 18099 569 1 1 . 1 1 152 152 SER C C 129 176.599 176.599 176.648 -0.049 18099 570 1 1 . 1 1 152 152 SER CA C 129 61.113 61.113 60.843 0.270 18099 571 1 1 . 1 1 152 152 SER CB C 129 62.531 62.531 62.322 0.208 18099 572 1 1 . 1 1 152 152 SER H H 129 8.293 8.293 7.589 0.704 18099 573 1 1 . 1 1 153 153 ARG N N 130 122.155 122.155 121.913 0.242 18099 574 1 1 . 1 1 153 153 ARG C C 130 179.087 179.087 178.228 0.859 18099 575 1 1 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.812 0.149 18099 576 1 1 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.284 -2.533 18099 577 1 1 . 1 1 153 153 ARG H H 130 7.590 7.590 7.658 -0.068 18099 578 1 1 . 1 1 154 154 LEU N N 131 122.447 122.447 121.371 1.076 18099 579 1 1 . 1 1 154 154 LEU C C 131 178.570 178.570 178.561 0.009 18099 580 1 1 . 1 1 154 154 LEU CA C 131 58.854 58.854 57.980 0.874 18099 581 1 1 . 1 1 154 154 LEU CB C 131 41.661 41.661 41.705 -0.044 18099 582 1 1 . 1 1 154 154 LEU H H 131 8.307 8.307 7.742 0.565 18099 583 1 1 . 1 1 155 155 VAL N N 132 118.802 118.802 114.721 4.081 18099 584 1 1 . 1 1 155 155 VAL C C 132 178.948 178.948 177.157 1.791 18099 585 1 1 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.485 0.008 18099 586 1 1 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.663 -0.970 18099 587 1 1 . 1 1 155 155 VAL H H 132 8.438 8.438 7.810 0.628 18099 588 1 1 . 1 1 156 156 ASN N N 133 119.677 119.677 119.273 0.404 18099 589 1 1 . 1 1 156 156 ASN C C 133 177.953 177.953 177.631 0.322 18099 590 1 1 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.886 0.063 18099 591 1 1 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.014 -0.131 18099 592 1 1 . 1 1 156 156 ASN H H 133 8.057 8.057 7.605 0.452 18099 593 1 1 . 1 1 157 157 CYS N N 134 118.219 118.219 118.931 -0.712 18099 594 1 1 . 1 1 157 157 CYS C C 134 176.122 176.122 177.421 -1.299 18099 595 1 1 . 1 1 157 157 CYS CA C 134 62.189 62.189 63.980 -1.790 18099 596 1 1 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.428 -0.499 18099 597 1 1 . 1 1 157 157 CYS H H 134 7.851 7.851 8.217 -0.366 18099 598 1 1 . 1 1 158 158 LEU N N 135 117.782 117.782 118.419 -0.637 18099 599 1 1 . 1 1 158 158 LEU C C 135 178.231 178.231 178.940 -0.709 18099 600 1 1 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.189 -1.025 18099 601 1 1 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.689 -0.377 18099 602 1 1 . 1 1 158 158 LEU H H 135 7.691 7.691 7.638 0.053 18099 603 1 1 . 1 1 159 159 THR N N 136 109.763 109.763 113.914 -4.151 18099 604 1 1 . 1 1 159 159 THR C C 136 175.724 175.724 175.332 0.392 18099 605 1 1 . 1 1 159 159 THR CA C 136 62.297 62.297 65.408 -3.111 18099 606 1 1 . 1 1 159 159 THR CB C 136 69.800 69.800 69.216 0.584 18099 607 1 1 . 1 1 159 159 THR H H 136 7.785 7.785 7.782 0.003 18099 608 1 1 . 1 1 160 160 GLY N N 137 110.638 110.638 108.646 1.992 18099 609 1 1 . 1 1 160 160 GLY C C 137 174.231 174.231 172.377 1.854 18099 610 1 1 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.884 0.306 18099 611 1 1 . 1 1 160 160 GLY H H 137 7.797 7.797 7.710 0.087 18099 612 1 1 . 1 1 161 161 GLU N N 138 120.260 120.260 122.559 -2.299 18099 613 1 1 . 1 1 161 161 GLU C C 138 177.043 177.043 177.685 -0.642 18099 614 1 1 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.684 -1.197 18099 615 1 1 . 1 1 161 161 GLU CB C 138 29.716 29.716 29.980 -0.264 18099 616 1 1 . 1 1 161 161 GLU H H 138 8.239 8.239 7.712 0.527 18099 617 1 1 . 1 1 162 162 GLY N N 139 109.909 109.909 112.214 -2.305 18099 618 1 1 . 1 1 162 162 GLY C C 139 174.400 174.400 173.071 1.329 18099 619 1 1 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.993 0.012 18099 620 1 1 . 1 1 162 162 GLY H H 139 8.221 8.221 8.819 -0.598 18099 621 1 1 . 1 1 164 164 ASP C C 141 176.480 176.480 176.721 -0.241 18099 622 1 1 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.989 -0.349 18099 623 1 1 . 1 1 164 164 ASP CB C 141 40.384 40.384 40.986 -0.602 18099 624 1 1 . 1 1 165 165 THR N N 142 112.242 112.242 113.024 -0.782 18099 625 1 1 . 1 1 165 165 THR C C 142 174.251 174.251 174.837 -0.586 18099 626 1 1 . 1 1 165 165 THR CA C 142 61.436 61.436 62.348 -0.912 18099 627 1 1 . 1 1 165 165 THR CB C 142 69.364 69.364 69.261 0.103 18099 628 1 1 . 1 1 165 165 THR H H 142 7.585 7.585 7.698 -0.113 18099 629 1 1 . 1 1 166 166 ARG N N 143 123.467 123.467 119.858 3.609 18099 630 1 1 . 1 1 166 166 ARG C C 143 176.360 176.360 175.277 1.083 18099 631 1 1 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.156 -1.422 18099 632 1 1 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.779 1.154 18099 633 1 1 . 1 1 166 166 ARG H H 143 7.833 7.833 8.468 -0.635 18099 634 1 1 . 1 1 167 167 LEU N N 144 124.342 124.342 122.616 1.726 18099 635 1 1 . 1 1 167 167 LEU C C 144 177.614 177.614 175.863 1.751 18099 636 1 1 . 1 1 167 167 LEU CA C 144 54.335 54.335 52.747 1.588 18099 637 1 1 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.610 -3.092 18099 638 1 1 . 1 1 167 167 LEU H H 144 8.377 8.377 8.072 0.305 18099 639 1 1 . 1 1 168 168 SER N N 145 119.385 119.385 117.705 1.680 18099 640 1 1 . 1 1 168 168 SER C C 145 174.748 174.748 173.418 1.330 18099 641 1 1 . 1 1 168 168 SER CA C 145 57.132 57.132 59.322 -2.190 18099 642 1 1 . 1 1 168 168 SER CB C 145 64.882 64.882 63.451 1.431 18099 643 1 1 . 1 1 168 168 SER H H 145 8.935 8.935 8.495 0.440 18099 644 1 1 . 1 1 170 170 SER C C 147 177.296 177.296 176.214 1.082 18099 645 1 1 . 1 1 170 170 SER CA C 147 60.665 60.665 61.126 -0.461 18099 646 1 1 . 1 1 170 170 SER CB C 147 62.108 62.108 62.490 -0.382 18099 647 1 1 . 1 1 171 171 GLU N N 148 124.488 124.488 121.302 3.186 18099 648 1 1 . 1 1 171 171 GLU C C 148 179.525 179.525 178.734 0.791 18099 649 1 1 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.857 -0.218 18099 650 1 1 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.941 0.666 18099 651 1 1 . 1 1 171 171 GLU H H 148 7.645 7.645 8.433 -0.788 18099 652 1 1 . 1 1 172 172 MET N N 149 120.260 120.260 119.647 0.613 18099 653 1 1 . 1 1 172 172 MET C C 149 177.117 177.117 177.844 -0.727 18099 654 1 1 . 1 1 172 172 MET CA C 149 58.501 58.501 56.893 1.608 18099 655 1 1 . 1 1 172 172 MET CB C 149 31.418 31.418 32.259 -0.841 18099 656 1 1 . 1 1 172 172 MET H H 149 8.630 8.630 8.093 0.537 18099 657 1 1 . 1 1 173 173 LYS N N 150 119.239 119.239 120.075 -0.836 18099 658 1 1 . 1 1 173 173 LYS C C 150 178.012 178.012 178.778 -0.766 18099 659 1 1 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.722 -0.116 18099 660 1 1 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.328 -0.950 18099 661 1 1 . 1 1 173 173 LYS H H 150 7.733 7.733 7.967 -0.234 18099 662 1 1 . 1 1 174 174 GLN N N 151 116.907 116.907 116.927 -0.020 18099 663 1 1 . 1 1 174 174 GLN C C 151 178.172 178.172 178.479 -0.307 18099 664 1 1 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.481 0.835 18099 665 1 1 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.253 -0.146 18099 666 1 1 . 1 1 174 174 GLN H H 151 7.513 7.513 7.756 -0.243 18099 667 1 1 . 1 1 175 175 LEU N N 152 120.989 120.989 122.821 -1.832 18099 668 1 1 . 1 1 175 175 LEU C C 152 179.226 179.226 178.569 0.657 18099 669 1 1 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.182 -0.032 18099 670 1 1 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.705 -0.712 18099 671 1 1 . 1 1 175 175 LEU H H 152 7.819 7.819 7.608 0.211 18099 672 1 1 . 1 1 176 176 ILE N N 153 119.823 119.823 118.661 1.162 18099 673 1 1 . 1 1 176 176 ILE C C 153 177.893 177.893 178.478 -0.585 18099 674 1 1 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.820 1.489 18099 675 1 1 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.229 0.637 18099 676 1 1 . 1 1 176 176 ILE H H 153 8.210 8.210 7.655 0.555 18099 677 1 1 . 1 1 177 177 ASP N N 154 120.114 120.114 120.832 -0.718 18099 678 1 1 . 1 1 177 177 ASP C C 154 179.605 179.605 178.965 0.640 18099 679 1 1 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.543 -0.090 18099 680 1 1 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.983 -1.034 18099 681 1 1 . 1 1 177 177 ASP H H 154 8.581 8.581 7.994 0.587 18099 682 1 1 . 1 1 178 178 ASN N N 155 120.114 120.114 118.573 1.541 18099 683 1 1 . 1 1 178 178 ASN C C 155 177.813 177.813 177.942 -0.129 18099 684 1 1 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.885 0.279 18099 685 1 1 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.344 -0.276 18099 686 1 1 . 1 1 178 178 ASN H H 155 8.150 8.150 8.151 -0.001 18099 687 1 1 . 1 1 179 179 ILE N N 156 122.301 122.301 121.198 1.103 18099 688 1 1 . 1 1 179 179 ILE C C 156 180.182 180.182 178.075 2.107 18099 689 1 1 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.652 -0.450 18099 690 1 1 . 1 1 179 179 ILE CB C 156 37.516 37.516 37.987 -0.471 18099 691 1 1 . 1 1 179 179 ILE H H 156 8.360 8.360 7.967 0.393 18099 692 1 1 . 1 1 180 180 LEU N N 157 121.864 121.864 120.290 1.574 18099 693 1 1 . 1 1 180 180 LEU C C 157 178.859 178.859 179.324 -0.465 18099 694 1 1 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.226 -0.125 18099 695 1 1 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.587 -1.454 18099 696 1 1 . 1 1 180 180 LEU H H 157 8.283 8.283 8.290 -0.007 18099 697 1 1 . 1 1 181 181 GLU N N 158 120.843 120.843 119.177 1.666 18099 698 1 1 . 1 1 181 181 GLU C C 158 179.062 179.062 179.226 -0.164 18099 699 1 1 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.257 -0.073 18099 700 1 1 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.701 -1.014 18099 701 1 1 . 1 1 181 181 GLU H H 158 8.465 8.465 8.122 0.343 18099 702 1 1 . 1 1 182 182 GLU N N 159 114.574 114.574 118.048 -3.474 18099 703 1 1 . 1 1 182 182 GLU C C 159 178.090 178.090 178.349 -0.259 18099 704 1 1 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.596 -1.052 18099 705 1 1 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.712 0.403 18099 706 1 1 . 1 1 182 182 GLU H H 159 7.651 7.651 8.207 -0.556 18099 707 1 1 . 1 1 183 183 SER N N 160 110.492 110.492 114.388 -3.896 18099 708 1 1 . 1 1 183 183 SER C C 160 174.309 174.309 174.784 -0.475 18099 709 1 1 . 1 1 183 183 SER CA C 160 59.252 59.252 60.063 -0.811 18099 710 1 1 . 1 1 183 183 SER CB C 160 65.311 65.311 63.953 1.358 18099 711 1 1 . 1 1 183 183 SER H H 160 7.670 7.670 8.190 -0.520 18099 712 1 1 . 1 1 184 184 ASP N N 161 120.551 120.551 120.980 -0.429 18099 713 1 1 . 1 1 184 184 ASP C C 161 177.190 177.190 176.011 1.179 18099 714 1 1 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.133 -1.716 18099 715 1 1 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.995 -3.039 18099 716 1 1 . 1 1 184 184 ASP H H 161 8.437 8.437 8.079 0.358 18099 717 1 1 . 1 1 185 185 ILE N N 162 126.820 126.820 121.224 5.596 18099 718 1 1 . 1 1 185 185 ILE C C 162 177.878 177.878 175.655 2.223 18099 719 1 1 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.120 0.436 18099 720 1 1 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.955 -1.856 18099 721 1 1 . 1 1 185 185 ILE H H 162 7.588 7.588 8.204 -0.616 18099 722 1 1 . 1 1 186 186 ASP N N 163 116.615 116.615 118.358 -1.743 18099 723 1 1 . 1 1 186 186 ASP C C 163 176.171 176.171 176.535 -0.364 18099 724 1 1 . 1 1 186 186 ASP CA C 163 53.253 53.253 55.172 -1.919 18099 725 1 1 . 1 1 186 186 ASP CB C 163 38.780 38.780 39.782 -1.002 18099 726 1 1 . 1 1 186 186 ASP H H 163 8.247 8.247 8.216 0.031 18099 727 1 1 . 1 1 187 187 ARG N N 164 115.303 115.303 115.363 -0.060 18099 728 1 1 . 1 1 187 187 ARG C C 164 176.086 176.086 175.744 0.342 18099 729 1 1 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.906 -0.368 18099 730 1 1 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.518 -2.991 18099 731 1 1 . 1 1 187 187 ARG H H 164 7.597 7.597 8.241 -0.644 18099 732 1 1 . 1 1 188 188 ASP N N 165 120.551 120.551 116.322 4.229 18099 733 1 1 . 1 1 188 188 ASP C C 165 177.731 177.731 177.305 0.426 18099 734 1 1 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.397 -1.761 18099 735 1 1 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.370 -0.058 18099 736 1 1 . 1 1 188 188 ASP H H 165 8.603 8.603 8.394 0.209 18099 737 1 1 . 1 1 189 189 GLY N N 166 114.283 114.283 106.935 7.348 18099 738 1 1 . 1 1 189 189 GLY C C 166 173.220 173.220 173.534 -0.314 18099 739 1 1 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.209 -0.278 18099 740 1 1 . 1 1 189 189 GLY H H 166 10.434 10.434 8.720 1.714 18099 741 1 1 . 1 1 190 190 THR N N 167 110.201 110.201 111.035 -0.834 18099 742 1 1 . 1 1 190 190 THR C C 167 173.793 173.793 173.012 0.781 18099 743 1 1 . 1 1 190 190 THR CA C 167 59.054 59.054 60.376 -1.321 18099 744 1 1 . 1 1 190 190 THR CB C 167 72.483 72.483 72.154 0.328 18099 745 1 1 . 1 1 190 190 THR H H 167 8.087 8.087 8.369 -0.282 18099 746 1 1 . 1 1 191 191 ILE N N 168 124.779 124.779 122.038 2.741 18099 747 1 1 . 1 1 191 191 ILE C C 168 175.685 175.685 175.132 0.553 18099 748 1 1 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.171 -1.094 18099 749 1 1 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.434 -2.028 18099 750 1 1 . 1 1 191 191 ILE H H 168 9.275 9.275 8.158 1.117 18099 751 1 1 . 1 1 192 192 ASN N N 169 109.180 109.180 124.198 -15.018 18099 752 1 1 . 1 1 192 192 ASN C C 169 175.095 175.095 176.080 -0.985 18099 753 1 1 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.427 -0.475 18099 754 1 1 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.851 -1.645 18099 755 1 1 . 1 1 192 192 ASN H H 169 9.154 9.154 8.243 0.911 18099 756 1 1 . 1 1 193 193 LEU N N 170 120.697 120.697 119.798 0.899 18099 757 1 1 . 1 1 193 193 LEU C C 170 178.160 178.160 178.040 0.120 18099 758 1 1 . 1 1 193 193 LEU CA C 170 58.382 58.382 57.814 0.568 18099 759 1 1 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.290 -0.812 18099 760 1 1 . 1 1 193 193 LEU H H 170 8.162 8.162 8.366 -0.204 18099 761 1 1 . 1 1 194 194 SER N N 171 114.283 114.283 114.528 -0.245 18099 762 1 1 . 1 1 194 194 SER C C 171 178.124 178.124 177.094 1.030 18099 763 1 1 . 1 1 194 194 SER CA C 171 60.901 60.901 61.588 -0.687 18099 764 1 1 . 1 1 194 194 SER CB C 171 62.358 62.358 62.530 -0.172 18099 765 1 1 . 1 1 194 194 SER H H 171 7.812 7.812 7.983 -0.171 18099 766 1 1 . 1 1 195 195 GLU N N 172 124.050 124.050 121.995 2.055 18099 767 1 1 . 1 1 195 195 GLU C C 172 179.334 179.334 179.025 0.309 18099 768 1 1 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.981 -0.140 18099 769 1 1 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.642 -0.858 18099 770 1 1 . 1 1 195 195 GLU H H 172 8.540 8.540 9.124 -0.584 18099 771 1 1 . 1 1 196 196 PHE N N 173 121.864 121.864 121.304 0.560 18099 772 1 1 . 1 1 196 196 PHE C C 173 176.340 176.340 177.264 -0.924 18099 773 1 1 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.512 -0.340 18099 774 1 1 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.370 0.291 18099 775 1 1 . 1 1 196 196 PHE H H 173 8.738 8.738 8.658 0.080 18099 776 1 1 . 1 1 197 197 GLN N N 174 117.198 117.198 118.509 -1.311 18099 777 1 1 . 1 1 197 197 GLN C C 174 178.868 178.868 177.611 1.257 18099 778 1 1 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.267 -0.198 18099 779 1 1 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.637 -1.117 18099 780 1 1 . 1 1 197 197 GLN H H 174 8.912 8.912 8.331 0.581 18099 781 1 1 . 1 1 198 198 HIS N N 175 120.697 120.697 118.608 2.089 18099 782 1 1 . 1 1 198 198 HIS C C 175 177.236 177.236 178.273 -1.037 18099 783 1 1 . 1 1 198 198 HIS CA C 175 59.715 59.715 59.571 0.144 18099 784 1 1 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.826 -0.246 18099 785 1 1 . 1 1 198 198 HIS H H 175 8.165 8.165 7.625 0.540 18099 786 1 1 . 1 1 199 199 VAL N N 176 117.927 117.927 119.717 -1.790 18099 787 1 1 . 1 1 199 199 VAL C C 176 178.749 178.749 178.419 0.330 18099 788 1 1 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.268 -0.636 18099 789 1 1 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.396 -0.780 18099 790 1 1 . 1 1 199 199 VAL H H 176 7.654 7.654 8.187 -0.533 18099 791 1 1 . 1 1 200 200 ILE N N 177 117.636 117.636 117.922 -0.286 18099 792 1 1 . 1 1 200 200 ILE C C 177 178.331 178.331 176.588 1.743 18099 793 1 1 . 1 1 200 200 ILE CA C 177 62.512 62.512 64.026 -1.514 18099 794 1 1 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.077 -1.818 18099 795 1 1 . 1 1 200 200 ILE H H 177 7.540 7.540 7.746 -0.206 18099 796 1 1 . 1 1 201 201 SER C C 178 174.450 174.450 174.978 -0.528 18099 797 1 1 . 1 1 201 201 SER CA C 178 60.450 60.450 58.457 1.993 18099 798 1 1 . 1 1 201 201 SER CB C 178 62.849 62.849 63.278 -0.429 18099 799 1 1 . 1 1 202 202 ARG N N 179 118.073 118.073 120.999 -2.926 18099 800 1 1 . 1 1 202 202 ARG C C 179 176.778 176.778 175.196 1.582 18099 801 1 1 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.959 -1.763 18099 802 1 1 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.776 -2.485 18099 803 1 1 . 1 1 202 202 ARG H H 179 6.975 6.975 7.868 -0.893 18099 804 1 1 . 1 1 203 203 SER N N 180 117.927 117.927 113.995 3.932 18099 805 1 1 . 1 1 203 203 SER CA C 180 55.949 55.949 55.604 0.345 18099 806 1 1 . 1 1 203 203 SER CB C 180 63.786 63.786 64.812 -1.026 18099 807 1 1 . 1 1 203 203 SER H H 180 7.391 7.391 7.605 -0.214 18099 808 1 1 . 1 1 206 206 PHE C C 183 176.466 176.466 177.532 -1.066 18099 809 1 1 . 1 1 206 206 PHE CA C 183 57.576 57.576 59.451 -1.875 18099 810 1 1 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.181 1.285 18099 811 1 1 . 1 1 207 207 ALA N N 184 123.904 123.904 122.981 0.923 18099 812 1 1 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.122 -0.092 18099 813 1 1 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.427 -0.237 18099 814 1 1 . 1 1 207 207 ALA H H 184 8.032 8.032 7.534 0.498 18099 815 1 1 . 1 1 211 211 LYS C C 188 175.805 175.805 176.283 -0.478 18099 816 1 1 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.209 -3.058 18099 817 1 1 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.895 -1.341 18099 818 1 1 . 1 1 212 212 ILE N N 189 122.155 122.155 117.241 4.914 18099 819 1 1 . 1 1 212 212 ILE C C 189 175.725 175.725 174.809 0.916 18099 820 1 1 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.606 0.935 18099 821 1 1 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.853 -0.914 18099 822 1 1 . 1 1 212 212 ILE H H 189 7.940 7.940 8.074 -0.134 18099 823 1 1 . 1 1 213 213 VAL N N 190 125.945 125.945 126.616 -0.671 18099 824 1 1 . 1 1 213 213 VAL C C 190 174.938 174.938 175.096 -0.158 18099 825 1 1 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.449 0.421 18099 826 1 1 . 1 1 213 213 VAL CB C 190 31.892 31.892 34.180 -2.288 18099 827 1 1 . 1 1 213 213 VAL H H 190 8.076 8.076 8.436 -0.360 18099 828 1 2 . 1 1 32 32 SER N N 9 117.053 117.053 119.271 -2.218 18099 829 1 2 . 1 1 32 32 SER C C 9 174.637 174.637 175.360 -0.723 18099 830 1 2 . 1 1 32 32 SER CA C 9 57.078 57.078 57.601 -0.523 18099 831 1 2 . 1 1 32 32 SER CB C 9 64.513 64.513 64.994 -0.481 18099 832 1 2 . 1 1 32 32 SER H H 9 7.690 7.690 8.064 -0.374 18099 833 1 2 . 1 1 33 33 LYS C C 10 178.968 178.968 177.829 1.139 18099 834 1 2 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.611 1.440 18099 835 1 2 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.692 -0.355 18099 836 1 2 . 1 1 34 34 GLU N N 11 120.114 120.114 119.448 0.666 18099 837 1 2 . 1 1 34 34 GLU C C 11 178.968 178.968 178.527 0.441 18099 838 1 2 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.693 0.914 18099 839 1 2 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.641 -0.674 18099 840 1 2 . 1 1 34 34 GLU H H 11 8.720 8.720 8.006 0.714 18099 841 1 2 . 1 1 35 35 LEU N N 12 122.738 122.738 121.127 1.611 18099 842 1 2 . 1 1 35 35 LEU C C 12 178.749 178.749 178.886 -0.137 18099 843 1 2 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.386 -0.361 18099 844 1 2 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.652 -0.538 18099 845 1 2 . 1 1 35 35 LEU H H 12 7.613 7.613 7.918 -0.305 18099 846 1 2 . 1 1 36 36 LEU N N 13 118.510 118.510 119.195 -0.685 18099 847 1 2 . 1 1 36 36 LEU C C 13 178.788 178.788 177.833 0.955 18099 848 1 2 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.727 -0.057 18099 849 1 2 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.145 -0.096 18099 850 1 2 . 1 1 36 36 LEU H H 13 8.252 8.252 7.485 0.767 18099 851 1 2 . 1 1 37 37 ALA N N 14 119.968 119.968 120.765 -0.797 18099 852 1 2 . 1 1 37 37 ALA C C 14 180.023 180.023 179.606 0.417 18099 853 1 2 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.561 -0.019 18099 854 1 2 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.845 -0.415 18099 855 1 2 . 1 1 37 37 ALA H H 14 7.664 7.664 7.640 0.024 18099 856 1 2 . 1 1 38 38 GLU N N 15 119.239 119.239 119.449 -0.210 18099 857 1 2 . 1 1 38 38 GLU C C 15 179.326 179.326 178.380 0.946 18099 858 1 2 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.717 -0.078 18099 859 1 2 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.598 -1.155 18099 860 1 2 . 1 1 38 38 GLU H H 15 7.501 7.501 7.581 -0.080 18099 861 1 2 . 1 1 39 39 TYR N N 16 117.053 117.053 117.795 -0.742 18099 862 1 2 . 1 1 39 39 TYR C C 16 178.868 178.868 178.194 0.674 18099 863 1 2 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.577 -0.540 18099 864 1 2 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.332 -0.980 18099 865 1 2 . 1 1 39 39 TYR H H 16 8.156 8.156 7.380 0.776 18099 866 1 2 . 1 1 40 40 GLN N N 17 121.718 121.718 118.805 2.913 18099 867 1 2 . 1 1 40 40 GLN C C 17 176.938 176.938 177.367 -0.429 18099 868 1 2 . 1 1 40 40 GLN CA C 17 58.531 58.531 57.923 0.608 18099 869 1 2 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.413 0.099 18099 870 1 2 . 1 1 40 40 GLN H H 17 8.287 8.287 7.640 0.647 18099 871 1 2 . 1 1 41 41 ASP N N 18 117.636 117.636 120.377 -2.741 18099 872 1 2 . 1 1 41 41 ASP C C 18 177.336 177.336 176.956 0.380 18099 873 1 2 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.640 -1.047 18099 874 1 2 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.900 -0.337 18099 875 1 2 . 1 1 41 41 ASP H H 18 7.448 7.448 7.600 -0.152 18099 876 1 2 . 1 1 42 42 LEU N N 19 117.782 117.782 119.906 -2.124 18099 877 1 2 . 1 1 42 42 LEU C C 19 176.938 176.938 176.504 0.434 18099 878 1 2 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.734 0.804 18099 879 1 2 . 1 1 42 42 LEU CB C 19 42.930 42.930 41.993 0.937 18099 880 1 2 . 1 1 42 42 LEU H H 19 7.444 7.444 8.566 -1.122 18099 881 1 2 . 1 1 43 43 THR N N 20 109.763 109.763 114.764 -5.001 18099 882 1 2 . 1 1 43 43 THR C C 20 173.096 173.096 175.706 -2.610 18099 883 1 2 . 1 1 43 43 THR CA C 20 60.145 60.145 63.053 -2.908 18099 884 1 2 . 1 1 43 43 THR CB C 20 71.461 71.461 70.437 1.024 18099 885 1 2 . 1 1 43 43 THR H H 20 7.348 7.348 7.984 -0.636 18099 886 1 2 . 1 1 44 44 PHE N N 21 117.490 117.490 122.299 -4.809 18099 887 1 2 . 1 1 44 44 PHE C C 21 175.465 175.465 175.577 -0.112 18099 888 1 2 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.808 -1.998 18099 889 1 2 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.102 -1.797 18099 890 1 2 . 1 1 44 44 PHE H H 21 7.686 7.686 7.831 -0.145 18099 891 1 2 . 1 1 45 45 LEU N N 22 120.260 120.260 120.196 0.064 18099 892 1 2 . 1 1 45 45 LEU C C 22 177.017 177.017 177.178 -0.161 18099 893 1 2 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.936 0.076 18099 894 1 2 . 1 1 45 45 LEU CB C 22 43.157 43.157 41.014 2.143 18099 895 1 2 . 1 1 45 45 LEU H H 22 7.350 7.350 7.694 -0.344 18099 896 1 2 . 1 1 46 46 THR N N 23 111.076 111.076 118.509 -7.433 18099 897 1 2 . 1 1 46 46 THR C C 23 176.002 176.002 174.813 1.189 18099 898 1 2 . 1 1 46 46 THR CA C 23 60.468 60.468 62.232 -1.764 18099 899 1 2 . 1 1 46 46 THR CB C 23 71.212 71.212 69.989 1.223 18099 900 1 2 . 1 1 46 46 THR H H 23 8.666 8.666 8.292 0.374 18099 901 1 2 . 1 1 47 47 LYS N N 24 120.260 120.260 118.599 1.661 18099 902 1 2 . 1 1 47 47 LYS C C 24 178.231 178.231 178.652 -0.421 18099 903 1 2 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.390 3.159 18099 904 1 2 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.568 -2.150 18099 905 1 2 . 1 1 47 47 LYS H H 24 8.598 8.598 8.301 0.297 18099 906 1 2 . 1 1 48 48 GLN N N 25 116.324 116.324 121.384 -5.060 18099 907 1 2 . 1 1 48 48 GLN C C 25 179.047 179.047 177.927 1.120 18099 908 1 2 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.060 -0.099 18099 909 1 2 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.747 -1.474 18099 910 1 2 . 1 1 48 48 GLN H H 25 8.390 8.390 8.512 -0.122 18099 911 1 2 . 1 1 49 49 GLU N N 26 119.677 119.677 120.260 -0.583 18099 912 1 2 . 1 1 49 49 GLU C C 26 179.804 179.804 179.457 0.347 18099 913 1 2 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.429 -0.360 18099 914 1 2 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.549 0.776 18099 915 1 2 . 1 1 49 49 GLU H H 26 7.644 7.644 8.040 -0.396 18099 916 1 2 . 1 1 50 50 ILE N N 27 123.613 123.613 119.094 4.519 18099 917 1 2 . 1 1 50 50 ILE C C 27 177.634 177.634 178.019 -0.385 18099 918 1 2 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.814 2.495 18099 919 1 2 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.742 0.330 18099 920 1 2 . 1 1 50 50 ILE H H 27 8.344 8.344 7.623 0.721 18099 921 1 2 . 1 1 51 51 LEU N N 28 120.697 120.697 122.562 -1.865 18099 922 1 2 . 1 1 51 51 LEU C C 28 180.620 180.620 178.826 1.794 18099 923 1 2 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.129 -0.028 18099 924 1 2 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.721 -0.976 18099 925 1 2 . 1 1 51 51 LEU H H 28 8.046 8.046 7.740 0.306 18099 926 1 2 . 1 1 52 52 LEU N N 29 121.426 121.426 120.117 1.309 18099 927 1 2 . 1 1 52 52 LEU C C 29 178.968 178.968 178.486 0.482 18099 928 1 2 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.617 0.052 18099 929 1 2 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.332 -0.759 18099 930 1 2 . 1 1 52 52 LEU H H 29 7.998 7.998 8.254 -0.256 18099 931 1 2 . 1 1 53 53 ALA N N 30 122.447 122.447 121.195 1.252 18099 932 1 2 . 1 1 53 53 ALA C C 30 179.804 179.804 179.407 0.397 18099 933 1 2 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.210 -0.014 18099 934 1 2 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.075 0.029 18099 935 1 2 . 1 1 53 53 ALA H H 30 8.380 8.380 8.297 0.083 18099 936 1 2 . 1 1 54 54 HIS N N 31 118.656 118.656 119.382 -0.726 18099 937 1 2 . 1 1 54 54 HIS C C 31 177.475 177.475 177.393 0.082 18099 938 1 2 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.421 2.338 18099 939 1 2 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.029 0.590 18099 940 1 2 . 1 1 54 54 HIS H H 31 8.760 8.760 8.380 0.380 18099 941 1 2 . 1 1 55 55 ARG N N 32 121.135 121.135 118.724 2.411 18099 942 1 2 . 1 1 55 55 ARG C C 32 179.366 179.366 178.517 0.849 18099 943 1 2 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.236 0.371 18099 944 1 2 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.916 -0.951 18099 945 1 2 . 1 1 55 55 ARG H H 32 7.926 7.926 7.744 0.182 18099 946 1 2 . 1 1 56 56 ARG N N 33 118.219 118.219 118.425 -0.206 18099 947 1 2 . 1 1 56 56 ARG C C 33 178.669 178.669 179.027 -0.358 18099 948 1 2 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.212 -0.064 18099 949 1 2 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.929 -0.771 18099 950 1 2 . 1 1 56 56 ARG H H 33 8.302 8.302 7.499 0.803 18099 951 1 2 . 1 1 57 57 PHE N N 34 120.989 120.989 117.473 3.516 18099 952 1 2 . 1 1 57 57 PHE C C 34 177.435 177.435 177.398 0.037 18099 953 1 2 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.222 0.999 18099 954 1 2 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.602 0.947 18099 955 1 2 . 1 1 57 57 PHE H H 34 8.675 8.675 7.984 0.691 18099 956 1 2 . 1 1 58 58 CYS N N 35 114.283 114.283 118.679 -4.396 18099 957 1 2 . 1 1 58 58 CYS C C 35 176.958 176.958 176.998 -0.040 18099 958 1 2 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.358 2.445 18099 959 1 2 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.550 0.066 18099 960 1 2 . 1 1 58 58 CYS H H 35 8.147 8.147 7.829 0.318 18099 961 1 2 . 1 1 59 59 GLU N N 36 116.615 116.615 119.783 -3.168 18099 962 1 2 . 1 1 59 59 GLU C C 36 177.276 177.276 177.615 -0.339 18099 963 1 2 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.728 -0.842 18099 964 1 2 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.363 -0.728 18099 965 1 2 . 1 1 59 59 GLU H H 36 7.237 7.237 7.597 -0.360 18099 966 1 2 . 1 1 60 60 LEU N N 37 116.615 116.615 116.977 -0.362 18099 967 1 2 . 1 1 60 60 LEU C C 37 176.778 176.778 177.201 -0.423 18099 968 1 2 . 1 1 60 60 LEU CA C 37 54.120 54.120 55.763 -1.643 18099 969 1 2 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.148 -1.389 18099 970 1 2 . 1 1 60 60 LEU H H 37 7.188 7.188 7.387 -0.199 18099 971 1 2 . 1 1 61 61 LEU N N 38 119.531 119.531 119.165 0.366 18099 972 1 2 . 1 1 61 61 LEU C C 38 174.848 174.848 174.359 0.489 18099 973 1 2 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.507 0.246 18099 974 1 2 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.624 -1.906 18099 975 1 2 . 1 1 61 61 LEU H H 38 7.060 7.060 7.332 -0.272 18099 976 1 2 . 1 1 63 63 GLN C C 40 177.754 177.754 178.269 -0.515 18099 977 1 2 . 1 1 63 63 GLN CA C 40 59.266 59.266 58.866 0.400 18099 978 1 2 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.273 -0.433 18099 979 1 2 . 1 1 64 64 GLU N N 41 117.053 117.053 117.943 -0.890 18099 980 1 2 . 1 1 64 64 GLU C C 41 177.276 177.276 177.931 -0.655 18099 981 1 2 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.292 -0.084 18099 982 1 2 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.303 -1.397 18099 983 1 2 . 1 1 64 64 GLU H H 41 9.287 9.287 8.601 0.686 18099 984 1 2 . 1 1 65 65 GLN N N 42 119.094 119.094 117.709 1.385 18099 985 1 2 . 1 1 65 65 GLN C C 42 174.171 174.171 176.079 -1.908 18099 986 1 2 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.092 -0.327 18099 987 1 2 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.356 0.913 18099 988 1 2 . 1 1 65 65 GLN H H 42 8.006 8.006 7.509 0.497 18099 989 1 2 . 1 1 66 66 ARG N N 43 115.157 115.157 119.132 -3.975 18099 990 1 2 . 1 1 66 66 ARG C C 43 176.221 176.221 176.466 -0.245 18099 991 1 2 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.098 0.034 18099 992 1 2 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.236 -1.058 18099 993 1 2 . 1 1 66 66 ARG H H 43 7.039 7.039 7.303 -0.264 18099 994 1 2 . 1 1 67 67 SER N N 44 114.720 114.720 115.918 -1.198 18099 995 1 2 . 1 1 67 67 SER C C 44 175.505 175.505 175.943 -0.438 18099 996 1 2 . 1 1 67 67 SER CA C 44 57.532 57.532 58.790 -1.258 18099 997 1 2 . 1 1 67 67 SER CB C 44 63.911 63.911 63.742 0.169 18099 998 1 2 . 1 1 67 67 SER H H 44 7.641 7.641 7.935 -0.294 18099 999 1 2 . 1 1 68 68 VAL C C 45 178.271 178.271 177.594 0.677 18099 1000 1 2 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.373 1.963 18099 1001 1 2 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.967 -1.556 18099 1002 1 2 . 1 1 69 69 GLU N N 46 118.365 118.365 119.331 -0.966 18099 1003 1 2 . 1 1 69 69 GLU C C 46 179.187 179.187 177.458 1.729 18099 1004 1 2 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.004 0.711 18099 1005 1 2 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.192 -0.980 18099 1006 1 2 . 1 1 69 69 GLU H H 46 8.862 8.862 8.698 0.164 18099 1007 1 2 . 1 1 70 70 SER N N 47 114.137 114.137 113.737 0.400 18099 1008 1 2 . 1 1 70 70 SER C C 47 178.251 178.251 175.800 2.451 18099 1009 1 2 . 1 1 70 70 SER CA C 47 61.113 61.113 60.837 0.276 18099 1010 1 2 . 1 1 70 70 SER CB C 47 62.543 62.543 64.062 -1.520 18099 1011 1 2 . 1 1 70 70 SER H H 47 7.588 7.588 7.592 -0.004 18099 1012 1 2 . 1 1 71 71 SER N N 48 121.280 121.280 119.339 1.941 18099 1013 1 2 . 1 1 71 71 SER C C 48 176.102 176.102 175.738 0.364 18099 1014 1 2 . 1 1 71 71 SER CA C 48 61.544 61.544 61.604 -0.060 18099 1015 1 2 . 1 1 71 71 SER CB C 48 63.348 63.348 63.394 -0.046 18099 1016 1 2 . 1 1 71 71 SER H H 48 8.785 8.785 7.953 0.832 18099 1017 1 2 . 1 1 72 72 LEU N N 49 120.551 120.551 120.227 0.324 18099 1018 1 2 . 1 1 72 72 LEU C C 49 177.555 177.555 178.651 -1.096 18099 1019 1 2 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.335 -0.171 18099 1020 1 2 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.331 -2.151 18099 1021 1 2 . 1 1 72 72 LEU H H 49 7.216 7.216 8.219 -1.003 18099 1022 1 2 . 1 1 73 73 ARG N N 50 116.469 116.469 117.739 -1.270 18099 1023 1 2 . 1 1 73 73 ARG C C 50 175.942 175.942 175.911 0.031 18099 1024 1 2 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.393 -1.628 18099 1025 1 2 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.481 -0.800 18099 1026 1 2 . 1 1 73 73 ARG H H 50 7.394 7.394 8.120 -0.726 18099 1027 1 2 . 1 1 74 74 ALA N N 51 123.904 123.904 121.473 2.431 18099 1028 1 2 . 1 1 74 74 ALA C C 51 176.778 176.778 175.883 0.895 18099 1029 1 2 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.136 1.155 18099 1030 1 2 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.012 0.037 18099 1031 1 2 . 1 1 74 74 ALA H H 51 7.263 7.263 7.686 -0.423 18099 1032 1 2 . 1 1 75 75 GLN N N 52 118.073 118.073 119.495 -1.422 18099 1033 1 2 . 1 1 75 75 GLN C C 52 175.524 175.524 175.521 0.003 18099 1034 1 2 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.124 -1.327 18099 1035 1 2 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.262 -0.046 18099 1036 1 2 . 1 1 75 75 GLN H H 52 8.283 8.283 8.379 -0.096 18099 1037 1 2 . 1 1 76 76 VAL N N 53 124.925 124.925 121.350 3.575 18099 1038 1 2 . 1 1 76 76 VAL C C 53 173.753 173.753 173.993 -0.240 18099 1039 1 2 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.893 -0.039 18099 1040 1 2 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.425 0.597 18099 1041 1 2 . 1 1 76 76 VAL H H 53 9.093 9.093 8.221 0.872 18099 1042 1 2 . 1 1 77 77 PRO C C 54 178.132 178.132 177.253 0.879 18099 1043 1 2 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.350 -1.179 18099 1044 1 2 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.293 -0.037 18099 1045 1 2 . 1 1 78 78 PHE N N 55 120.406 120.406 122.517 -2.111 18099 1046 1 2 . 1 1 78 78 PHE C C 55 177.236 177.236 177.004 0.232 18099 1047 1 2 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.409 -4.523 18099 1048 1 2 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.575 -3.308 18099 1049 1 2 . 1 1 78 78 PHE H H 55 7.897 7.897 9.026 -1.129 18099 1050 1 2 . 1 1 79 79 GLU N N 56 117.636 117.636 117.695 -0.059 18099 1051 1 2 . 1 1 79 79 GLU C C 56 178.410 178.410 178.191 0.219 18099 1052 1 2 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.671 0.474 18099 1053 1 2 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.258 0.119 18099 1054 1 2 . 1 1 79 79 GLU H H 56 9.202 9.202 8.658 0.544 18099 1055 1 2 . 1 1 80 80 GLN N N 57 114.429 114.429 117.186 -2.757 18099 1056 1 2 . 1 1 80 80 GLN C C 57 178.012 178.012 178.030 -0.018 18099 1057 1 2 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.736 -1.389 18099 1058 1 2 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.170 1.183 18099 1059 1 2 . 1 1 80 80 GLN H H 57 7.332 7.332 8.436 -1.104 18099 1060 1 2 . 1 1 81 81 ILE N N 58 120.989 120.989 117.695 3.294 18099 1061 1 2 . 1 1 81 81 ILE C C 58 177.236 177.236 178.502 -1.266 18099 1062 1 2 . 1 1 81 81 ILE CA C 58 60.791 60.791 61.452 -0.661 18099 1063 1 2 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.302 -1.010 18099 1064 1 2 . 1 1 81 81 ILE H H 58 7.375 7.375 7.625 -0.250 18099 1065 1 2 . 1 1 82 82 LEU N N 59 116.469 116.469 117.898 -1.429 18099 1066 1 2 . 1 1 82 82 LEU C C 59 176.360 176.360 176.621 -0.261 18099 1067 1 2 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.612 -0.233 18099 1068 1 2 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.783 -1.109 18099 1069 1 2 . 1 1 82 82 LEU H H 59 8.144 8.144 7.298 0.846 18099 1070 1 2 . 1 1 83 83 SER N N 60 110.347 110.347 113.673 -3.326 18099 1071 1 2 . 1 1 83 83 SER C C 60 174.708 174.708 174.441 0.267 18099 1072 1 2 . 1 1 83 83 SER CA C 60 58.316 58.316 59.321 -1.005 18099 1073 1 2 . 1 1 83 83 SER CB C 60 64.074 64.074 62.646 1.428 18099 1074 1 2 . 1 1 83 83 SER H H 60 7.038 7.038 7.363 -0.325 18099 1075 1 2 . 1 1 84 84 LEU N N 61 124.633 124.633 122.954 1.679 18099 1076 1 2 . 1 1 84 84 LEU C C 61 176.599 176.599 174.833 1.766 18099 1077 1 2 . 1 1 84 84 LEU CA C 61 53.689 53.689 51.930 1.759 18099 1078 1 2 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.050 -2.647 18099 1079 1 2 . 1 1 84 84 LEU H H 61 7.674 7.674 7.275 0.399 18099 1080 1 2 . 1 1 85 85 PRO C C 62 178.457 178.457 178.654 -0.197 18099 1081 1 2 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.253 0.075 18099 1082 1 2 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.888 -0.978 18099 1083 1 2 . 1 1 86 86 GLU N N 63 117.198 117.198 118.128 -0.930 18099 1084 1 2 . 1 1 86 86 GLU C C 63 176.280 176.280 179.166 -2.886 18099 1085 1 2 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.304 0.390 18099 1086 1 2 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.188 -1.464 18099 1087 1 2 . 1 1 86 86 GLU H H 63 10.005 10.005 8.787 1.218 18099 1088 1 2 . 1 1 87 87 LEU N N 64 115.595 115.595 118.879 -3.284 18099 1089 1 2 . 1 1 87 87 LEU C C 64 178.197 178.197 179.181 -0.984 18099 1090 1 2 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.229 -1.968 18099 1091 1 2 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.514 2.280 18099 1092 1 2 . 1 1 87 87 LEU H H 64 7.347 7.347 7.862 -0.515 18099 1093 1 2 . 1 1 88 88 LYS N N 65 119.677 119.677 121.167 -1.490 18099 1094 1 2 . 1 1 88 88 LYS C C 65 176.891 176.891 177.804 -0.913 18099 1095 1 2 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.910 1.047 18099 1096 1 2 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.418 -0.888 18099 1097 1 2 . 1 1 88 88 LYS H H 65 7.841 7.841 7.532 0.309 18099 1098 1 2 . 1 1 89 89 ALA C C 66 176.503 176.503 177.065 -0.562 18099 1099 1 2 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.268 -2.442 18099 1100 1 2 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.700 -0.605 18099 1101 1 2 . 1 1 90 90 ASN N N 67 123.467 123.467 117.940 5.527 18099 1102 1 2 . 1 1 90 90 ASN C C 67 175.955 175.955 174.081 1.874 18099 1103 1 2 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.201 0.729 18099 1104 1 2 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.479 1.711 18099 1105 1 2 . 1 1 90 90 ASN H H 67 7.847 7.847 7.300 0.547 18099 1106 1 2 . 1 1 91 91 PRO C C 68 176.918 176.918 175.266 1.652 18099 1107 1 2 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.877 0.016 18099 1108 1 2 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.652 -0.300 18099 1109 1 2 . 1 1 92 92 PHE N N 69 116.178 116.178 113.778 2.400 18099 1110 1 2 . 1 1 92 92 PHE C C 69 176.977 176.977 176.284 0.693 18099 1111 1 2 . 1 1 92 92 PHE CA C 69 56.917 56.917 57.055 -0.138 18099 1112 1 2 . 1 1 92 92 PHE CB C 69 38.077 38.077 38.564 -0.487 18099 1113 1 2 . 1 1 92 92 PHE H H 69 9.006 9.006 7.774 1.232 18099 1114 1 2 . 1 1 93 93 LYS N N 70 119.385 119.385 121.840 -2.455 18099 1115 1 2 . 1 1 93 93 LYS C C 70 175.982 175.982 178.097 -2.115 18099 1116 1 2 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.983 0.484 18099 1117 1 2 . 1 1 93 93 LYS CB C 70 31.026 31.026 31.825 -0.799 18099 1118 1 2 . 1 1 93 93 LYS H H 70 7.693 7.693 8.196 -0.503 18099 1119 1 2 . 1 1 94 94 GLU N N 71 120.406 120.406 120.018 0.388 18099 1120 1 2 . 1 1 94 94 GLU C C 71 179.007 179.007 179.165 -0.158 18099 1121 1 2 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.571 1.005 18099 1122 1 2 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.294 -1.212 18099 1123 1 2 . 1 1 94 94 GLU H H 71 8.549 8.549 8.697 -0.148 18099 1124 1 2 . 1 1 95 95 ARG N N 72 119.677 119.677 119.427 0.250 18099 1125 1 2 . 1 1 95 95 ARG C C 72 178.112 178.112 179.044 -0.932 18099 1126 1 2 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.082 -2.595 18099 1127 1 2 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.287 -1.580 18099 1128 1 2 . 1 1 95 95 ARG H H 72 7.495 7.495 7.503 -0.008 18099 1129 1 2 . 1 1 96 96 ILE N N 73 119.094 119.094 121.234 -2.140 18099 1130 1 2 . 1 1 96 96 ILE C C 73 177.276 177.276 177.561 -0.285 18099 1131 1 2 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.604 0.459 18099 1132 1 2 . 1 1 96 96 ILE CB C 73 37.229 37.229 38.026 -0.797 18099 1133 1 2 . 1 1 96 96 ILE H H 73 8.535 8.535 9.089 -0.554 18099 1134 1 2 . 1 1 97 97 CYS N N 74 115.157 115.157 117.286 -2.129 18099 1135 1 2 . 1 1 97 97 CYS C C 74 174.848 174.848 177.066 -2.218 18099 1136 1 2 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.703 2.391 18099 1137 1 2 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.743 -2.176 18099 1138 1 2 . 1 1 97 97 CYS H H 74 7.235 7.235 7.850 -0.615 18099 1139 1 2 . 1 1 98 98 ARG N N 75 115.886 115.886 121.305 -5.419 18099 1140 1 2 . 1 1 98 98 ARG C C 75 178.470 178.470 177.860 0.610 18099 1141 1 2 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.662 -0.163 18099 1142 1 2 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.063 -0.764 18099 1143 1 2 . 1 1 98 98 ARG H H 75 7.136 7.136 7.774 -0.638 18099 1144 1 2 . 1 1 99 99 VAL N N 76 117.198 117.198 117.664 -0.466 18099 1145 1 2 . 1 1 99 99 VAL C C 76 177.236 177.236 177.609 -0.373 18099 1146 1 2 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.615 -0.628 18099 1147 1 2 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.772 -0.925 18099 1148 1 2 . 1 1 99 99 VAL H H 76 8.043 8.043 7.872 0.171 18099 1149 1 2 . 1 1 100 100 PHE N N 77 115.595 115.595 118.941 -3.346 18099 1150 1 2 . 1 1 100 100 PHE C C 77 175.007 175.007 176.164 -1.157 18099 1151 1 2 . 1 1 100 100 PHE CA C 77 60.468 60.468 60.132 0.336 18099 1152 1 2 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.017 -1.232 18099 1153 1 2 . 1 1 100 100 PHE H H 77 7.436 7.436 8.068 -0.632 18099 1154 1 2 . 1 1 101 101 SER N N 78 112.533 112.533 113.790 -1.257 18099 1155 1 2 . 1 1 101 101 SER C C 78 177.156 177.156 173.494 3.662 18099 1156 1 2 . 1 1 101 101 SER CA C 78 58.639 58.639 58.483 0.155 18099 1157 1 2 . 1 1 101 101 SER CB C 78 64.208 64.208 64.615 -0.407 18099 1158 1 2 . 1 1 101 101 SER H H 78 7.156 7.156 8.325 -1.169 18099 1159 1 2 . 1 1 102 102 THR N N 79 120.551 120.551 115.336 5.215 18099 1160 1 2 . 1 1 102 102 THR C C 79 175.763 175.763 173.538 2.225 18099 1161 1 2 . 1 1 102 102 THR CA C 79 61.328 61.328 61.263 0.065 18099 1162 1 2 . 1 1 102 102 THR CB C 79 68.647 68.647 71.328 -2.681 18099 1163 1 2 . 1 1 102 102 THR H H 79 9.267 9.267 8.069 1.198 18099 1164 1 2 . 1 1 103 103 SER N N 80 121.280 121.280 121.153 0.127 18099 1165 1 2 . 1 1 103 103 SER C C 80 175.743 175.743 172.709 3.034 18099 1166 1 2 . 1 1 103 103 SER CA C 80 56.164 56.164 56.935 -0.771 18099 1167 1 2 . 1 1 103 103 SER CB C 80 63.221 63.221 64.594 -1.373 18099 1168 1 2 . 1 1 103 103 SER H H 80 8.120 8.120 8.286 -0.166 18099 1169 1 2 . 1 1 104 104 PRO C C 81 177.654 177.654 176.419 1.235 18099 1170 1 2 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.440 0.959 18099 1171 1 2 . 1 1 104 104 PRO CB C 81 31.382 31.382 31.983 -0.601 18099 1172 1 2 . 1 1 105 105 ALA N N 82 117.927 117.927 119.809 -1.882 18099 1173 1 2 . 1 1 105 105 ALA C C 82 177.077 177.077 176.463 0.614 18099 1174 1 2 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.388 0.042 18099 1175 1 2 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.559 -1.536 18099 1176 1 2 . 1 1 105 105 ALA H H 82 7.961 7.961 8.116 -0.155 18099 1177 1 2 . 1 1 106 106 LYS N N 83 115.449 115.449 114.789 0.660 18099 1178 1 2 . 1 1 106 106 LYS C C 83 175.206 175.206 175.020 0.186 18099 1179 1 2 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.787 -0.946 18099 1180 1 2 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.671 -1.211 18099 1181 1 2 . 1 1 106 106 LYS H H 83 7.984 7.984 8.086 -0.102 18099 1182 1 2 . 1 1 107 107 ASP N N 84 112.242 112.242 113.850 -1.608 18099 1183 1 2 . 1 1 107 107 ASP C C 84 175.823 175.823 175.520 0.303 18099 1184 1 2 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.013 -1.722 18099 1185 1 2 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.951 -0.355 18099 1186 1 2 . 1 1 107 107 ASP H H 84 7.670 7.670 8.228 -0.558 18099 1187 1 2 . 1 1 108 108 SER N N 85 113.554 113.554 112.685 0.869 18099 1188 1 2 . 1 1 108 108 SER C C 85 172.897 172.897 172.694 0.203 18099 1189 1 2 . 1 1 108 108 SER CA C 85 57.132 57.132 57.053 0.079 18099 1190 1 2 . 1 1 108 108 SER CB C 85 65.347 65.347 66.136 -0.789 18099 1191 1 2 . 1 1 108 108 SER H H 85 7.271 7.271 7.421 -0.150 18099 1192 1 2 . 1 1 109 109 LEU N N 86 121.426 121.426 120.729 0.697 18099 1193 1 2 . 1 1 109 109 LEU C C 86 176.400 176.400 175.789 0.611 18099 1194 1 2 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.105 0.445 18099 1195 1 2 . 1 1 109 109 LEU CB C 86 44.020 44.020 45.248 -1.228 18099 1196 1 2 . 1 1 109 109 LEU H H 86 9.179 9.179 8.079 1.100 18099 1197 1 2 . 1 1 110 110 SER N N 87 117.927 117.927 117.665 0.262 18099 1198 1 2 . 1 1 110 110 SER C C 87 174.808 174.808 175.576 -0.768 18099 1199 1 2 . 1 1 110 110 SER CA C 87 56.056 56.056 56.132 -0.076 18099 1200 1 2 . 1 1 110 110 SER CB C 87 65.644 65.644 64.933 0.711 18099 1201 1 2 . 1 1 110 110 SER H H 87 8.305 8.305 8.914 -0.609 18099 1202 1 2 . 1 1 111 111 PHE N N 88 122.592 122.592 124.472 -1.880 18099 1203 1 2 . 1 1 111 111 PHE C C 88 176.798 176.798 176.782 0.016 18099 1204 1 2 . 1 1 111 111 PHE CA C 88 60.468 60.468 59.128 1.340 18099 1205 1 2 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.095 -0.935 18099 1206 1 2 . 1 1 111 111 PHE H H 88 9.850 9.850 8.960 0.890 18099 1207 1 2 . 1 1 112 112 GLU N N 89 117.782 117.782 120.307 -2.525 18099 1208 1 2 . 1 1 112 112 GLU C C 89 178.490 178.490 178.428 0.062 18099 1209 1 2 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.391 0.754 18099 1210 1 2 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.533 -0.485 18099 1211 1 2 . 1 1 112 112 GLU H H 89 8.233 8.233 6.795 1.438 18099 1212 1 2 . 1 1 113 113 ASP N N 90 121.572 121.572 119.687 1.885 18099 1213 1 2 . 1 1 113 113 ASP C C 90 177.714 177.714 178.701 -0.987 18099 1214 1 2 . 1 1 113 113 ASP CA C 90 57.025 57.025 56.957 0.068 18099 1215 1 2 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.328 1.371 18099 1216 1 2 . 1 1 113 113 ASP H H 90 7.691 7.691 8.224 -0.533 18099 1217 1 2 . 1 1 114 114 PHE N N 91 121.135 121.135 120.646 0.489 18099 1218 1 2 . 1 1 114 114 PHE C C 91 176.460 176.460 177.297 -0.837 18099 1219 1 2 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.276 -1.239 18099 1220 1 2 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.318 -0.117 18099 1221 1 2 . 1 1 114 114 PHE H H 91 8.214 8.214 7.954 0.260 18099 1222 1 2 . 1 1 115 115 LEU N N 92 118.365 118.365 120.238 -1.873 18099 1223 1 2 . 1 1 115 115 LEU C C 92 179.187 179.187 178.382 0.805 18099 1224 1 2 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.980 -0.848 18099 1225 1 2 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.647 -1.371 18099 1226 1 2 . 1 1 115 115 LEU H H 92 8.189 8.189 7.962 0.227 18099 1227 1 2 . 1 1 116 116 ASP N N 93 120.843 120.843 119.309 1.534 18099 1228 1 2 . 1 1 116 116 ASP C C 93 177.336 177.336 178.755 -1.419 18099 1229 1 2 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.515 -0.275 18099 1230 1 2 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.712 -0.848 18099 1231 1 2 . 1 1 116 116 ASP H H 93 7.640 7.640 7.836 -0.196 18099 1232 1 2 . 1 1 117 117 LEU N N 94 122.447 122.447 121.215 1.232 18099 1233 1 2 . 1 1 117 117 LEU C C 94 177.853 177.853 178.056 -0.203 18099 1234 1 2 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.220 0.343 18099 1235 1 2 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.099 -0.429 18099 1236 1 2 . 1 1 117 117 LEU H H 94 7.480 7.480 7.389 0.091 18099 1237 1 2 . 1 1 118 118 LEU N N 95 116.907 116.907 119.227 -2.320 18099 1238 1 2 . 1 1 118 118 LEU C C 95 180.923 180.923 178.683 2.240 18099 1239 1 2 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.680 -0.440 18099 1240 1 2 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.248 -0.920 18099 1241 1 2 . 1 1 118 118 LEU H H 95 7.892 7.892 7.502 0.390 18099 1242 1 2 . 1 1 119 119 SER N N 96 116.032 116.032 114.467 1.565 18099 1243 1 2 . 1 1 119 119 SER C C 96 176.343 176.343 176.789 -0.446 18099 1244 1 2 . 1 1 119 119 SER H H 96 8.410 8.410 7.629 0.781 18099 1245 1 2 . 1 1 120 120 VAL N N 97 119.385 119.385 121.397 -2.012 18099 1246 1 2 . 1 1 120 120 VAL C C 97 176.280 176.280 177.993 -1.713 18099 1247 1 2 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.320 -1.294 18099 1248 1 2 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.758 -1.707 18099 1249 1 2 . 1 1 120 120 VAL H H 97 7.255 7.255 7.479 -0.224 18099 1250 1 2 . 1 1 121 121 PHE N N 98 116.761 116.761 117.664 -0.903 18099 1251 1 2 . 1 1 121 121 PHE C C 98 176.206 176.206 176.213 -0.007 18099 1252 1 2 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.520 0.676 18099 1253 1 2 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.018 -0.124 18099 1254 1 2 . 1 1 121 121 PHE H H 98 7.151 7.151 7.831 -0.680 18099 1255 1 2 . 1 1 122 122 SER N N 99 115.449 115.449 114.755 0.694 18099 1256 1 2 . 1 1 122 122 SER C C 99 177.006 177.006 175.014 1.992 18099 1257 1 2 . 1 1 122 122 SER CA C 99 58.486 58.486 60.073 -1.587 18099 1258 1 2 . 1 1 122 122 SER CB C 99 63.834 63.834 64.352 -0.518 18099 1259 1 2 . 1 1 122 122 SER H H 99 7.270 7.270 7.713 -0.443 18099 1260 1 2 . 1 1 123 123 ASP C C 100 177.042 177.042 177.343 -0.301 18099 1261 1 2 . 1 1 123 123 ASP CA C 100 56.179 56.179 54.953 1.226 18099 1262 1 2 . 1 1 123 123 ASP CB C 100 40.236 40.236 43.072 -2.836 18099 1263 1 2 . 1 1 124 124 THR N N 101 111.076 111.076 116.899 -5.823 18099 1264 1 2 . 1 1 124 124 THR C C 101 174.909 174.909 175.004 -0.095 18099 1265 1 2 . 1 1 124 124 THR CA C 101 62.052 62.052 65.319 -3.267 18099 1266 1 2 . 1 1 124 124 THR CB C 101 68.486 68.486 69.004 -0.518 18099 1267 1 2 . 1 1 124 124 THR H H 101 8.147 8.147 7.531 0.616 18099 1268 1 2 . 1 1 125 125 ALA N N 102 124.196 124.196 124.634 -0.438 18099 1269 1 2 . 1 1 125 125 ALA C C 102 176.760 176.760 176.801 -0.041 18099 1270 1 2 . 1 1 125 125 ALA CA C 102 51.503 51.503 51.859 -0.356 18099 1271 1 2 . 1 1 125 125 ALA CB C 102 18.292 18.292 18.069 0.223 18099 1272 1 2 . 1 1 125 125 ALA H H 102 6.801 6.801 7.365 -0.564 18099 1273 1 2 . 1 1 126 126 THR N N 103 111.513 111.513 117.838 -6.325 18099 1274 1 2 . 1 1 126 126 THR C C 103 173.925 173.925 174.279 -0.354 18099 1275 1 2 . 1 1 126 126 THR CA C 103 59.311 59.311 59.827 -0.516 18099 1276 1 2 . 1 1 126 126 THR CB C 103 67.581 67.581 68.581 -1.000 18099 1277 1 2 . 1 1 126 126 THR H H 103 6.254 6.254 7.578 -1.324 18099 1278 1 2 . 1 1 127 127 PRO C C 104 178.402 178.402 178.830 -0.428 18099 1279 1 2 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.719 -1.585 18099 1280 1 2 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.697 -1.148 18099 1281 1 2 . 1 1 128 128 ASP N N 105 116.469 116.469 116.621 -0.152 18099 1282 1 2 . 1 1 128 128 ASP C C 105 178.059 178.059 178.635 -0.576 18099 1283 1 2 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.180 -0.312 18099 1284 1 2 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.113 -0.767 18099 1285 1 2 . 1 1 128 128 ASP H H 105 8.341 8.341 8.744 -0.403 18099 1286 1 2 . 1 1 129 129 ILE N N 106 122.738 122.738 118.926 3.812 18099 1287 1 2 . 1 1 129 129 ILE C C 106 178.111 178.111 177.985 0.126 18099 1288 1 2 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.930 0.320 18099 1289 1 2 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.696 0.053 18099 1290 1 2 . 1 1 129 129 ILE H H 106 7.443 7.443 8.081 -0.638 18099 1291 1 2 . 1 1 130 130 LYS N N 107 119.677 119.677 121.314 -1.637 18099 1292 1 2 . 1 1 130 130 LYS C C 107 178.667 178.667 178.830 -0.163 18099 1293 1 2 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.319 -0.266 18099 1294 1 2 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.505 0.556 18099 1295 1 2 . 1 1 130 130 LYS H H 107 7.599 7.599 8.680 -1.081 18099 1296 1 2 . 1 1 131 131 SER N N 108 113.117 113.117 115.855 -2.738 18099 1297 1 2 . 1 1 131 131 SER C C 108 175.513 175.513 176.593 -1.080 18099 1298 1 2 . 1 1 131 131 SER CA C 108 61.857 61.857 62.212 -0.355 18099 1299 1 2 . 1 1 131 131 SER CB C 108 63.068 63.068 62.523 0.545 18099 1300 1 2 . 1 1 131 131 SER H H 108 8.470 8.470 8.225 0.245 18099 1301 1 2 . 1 1 132 132 HIS N N 109 123.175 123.175 123.193 -0.018 18099 1302 1 2 . 1 1 132 132 HIS C C 109 178.143 178.143 177.497 0.646 18099 1303 1 2 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.324 -1.052 18099 1304 1 2 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.056 -0.176 18099 1305 1 2 . 1 1 132 132 HIS H H 109 7.991 7.991 7.711 0.280 18099 1306 1 2 . 1 1 133 133 TYR N N 110 115.595 115.595 118.264 -2.669 18099 1307 1 2 . 1 1 133 133 TYR C C 110 177.946 177.946 177.932 0.014 18099 1308 1 2 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.218 2.257 18099 1309 1 2 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.723 0.034 18099 1310 1 2 . 1 1 133 133 TYR H H 110 8.060 8.060 8.249 -0.189 18099 1311 1 2 . 1 1 134 134 ALA N N 111 122.009 122.009 122.064 -0.055 18099 1312 1 2 . 1 1 134 134 ALA C C 111 175.937 175.937 179.227 -3.290 18099 1313 1 2 . 1 1 134 134 ALA CA C 111 55.194 55.194 54.897 0.297 18099 1314 1 2 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.526 0.272 18099 1315 1 2 . 1 1 134 134 ALA H H 111 8.293 8.293 8.458 -0.165 18099 1316 1 2 . 1 1 135 135 PHE N N 112 116.615 116.615 119.372 -2.757 18099 1317 1 2 . 1 1 135 135 PHE C C 112 175.710 175.710 177.395 -1.685 18099 1318 1 2 . 1 1 135 135 PHE CA C 112 61.706 61.706 61.062 0.644 18099 1319 1 2 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.639 -0.499 18099 1320 1 2 . 1 1 135 135 PHE H H 112 7.589 7.589 8.218 -0.629 18099 1321 1 2 . 1 1 136 136 ARG N N 113 113.262 113.262 118.692 -5.430 18099 1322 1 2 . 1 1 136 136 ARG C C 113 179.471 179.471 178.467 1.004 18099 1323 1 2 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.046 -0.850 18099 1324 1 2 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.610 -1.636 18099 1325 1 2 . 1 1 136 136 ARG H H 113 7.090 7.090 7.213 -0.123 18099 1326 1 2 . 1 1 137 137 ILE N N 114 120.843 120.843 119.741 1.102 18099 1327 1 2 . 1 1 137 137 ILE C C 114 176.198 176.198 177.769 -1.571 18099 1328 1 2 . 1 1 137 137 ILE CA C 114 64.422 64.422 65.008 -0.586 18099 1329 1 2 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.384 -2.696 18099 1330 1 2 . 1 1 137 137 ILE H H 114 7.703 7.703 8.108 -0.405 18099 1331 1 2 . 1 1 138 138 PHE N N 115 117.636 117.636 116.000 1.636 18099 1332 1 2 . 1 1 138 138 PHE C C 115 173.157 173.157 176.091 -2.934 18099 1333 1 2 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.258 -4.787 18099 1334 1 2 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.752 -2.825 18099 1335 1 2 . 1 1 138 138 PHE H H 115 7.185 7.185 8.531 -1.346 18099 1336 1 2 . 1 1 139 139 ASP N N 116 118.365 118.365 119.020 -0.655 18099 1337 1 2 . 1 1 139 139 ASP C C 116 176.437 176.437 177.666 -1.229 18099 1338 1 2 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.832 -2.971 18099 1339 1 2 . 1 1 139 139 ASP CB C 116 37.014 37.014 40.079 -3.065 18099 1340 1 2 . 1 1 139 139 ASP H H 116 6.856 6.856 7.371 -0.515 18099 1341 1 2 . 1 1 140 140 PHE N N 117 121.864 121.864 128.157 -6.293 18099 1342 1 2 . 1 1 140 140 PHE C C 117 176.620 176.620 175.596 1.024 18099 1343 1 2 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.434 0.976 18099 1344 1 2 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.510 -0.256 18099 1345 1 2 . 1 1 140 140 PHE H H 117 7.462 7.462 8.041 -0.579 18099 1346 1 2 . 1 1 141 141 ASP N N 118 114.866 114.866 115.761 -0.895 18099 1347 1 2 . 1 1 141 141 ASP C C 118 176.206 176.206 176.039 0.167 18099 1348 1 2 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.542 -3.008 18099 1349 1 2 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.423 -1.211 18099 1350 1 2 . 1 1 141 141 ASP H H 118 8.048 8.048 8.306 -0.258 18099 1351 1 2 . 1 1 142 142 ASP N N 119 116.761 116.761 116.276 0.485 18099 1352 1 2 . 1 1 142 142 ASP C C 119 175.386 175.386 175.987 -0.601 18099 1353 1 2 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.640 0.724 18099 1354 1 2 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.454 0.621 18099 1355 1 2 . 1 1 142 142 ASP H H 119 8.144 8.144 7.879 0.265 18099 1356 1 2 . 1 1 143 143 ASP N N 120 119.094 119.094 117.498 1.596 18099 1357 1 2 . 1 1 143 143 ASP C C 120 178.404 178.404 177.305 1.099 18099 1358 1 2 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.965 -1.032 18099 1359 1 2 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.810 -0.882 18099 1360 1 2 . 1 1 143 143 ASP H H 120 8.124 8.124 8.464 -0.340 18099 1361 1 2 . 1 1 144 144 GLY N N 121 115.303 115.303 108.213 7.090 18099 1362 1 2 . 1 1 144 144 GLY C C 121 173.571 173.571 174.239 -0.668 18099 1363 1 2 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.081 0.091 18099 1364 1 2 . 1 1 144 144 GLY H H 121 10.971 10.971 8.773 2.198 18099 1365 1 2 . 1 1 145 145 THR N N 122 110.930 110.930 117.899 -6.969 18099 1366 1 2 . 1 1 145 145 THR C C 122 173.029 173.029 173.952 -0.923 18099 1367 1 2 . 1 1 145 145 THR CA C 122 59.944 59.944 62.568 -2.623 18099 1368 1 2 . 1 1 145 145 THR CB C 122 72.345 72.345 70.476 1.869 18099 1369 1 2 . 1 1 145 145 THR H H 122 7.728 7.728 8.224 -0.496 18099 1370 1 2 . 1 1 146 146 LEU N N 123 125.508 125.508 123.910 1.598 18099 1371 1 2 . 1 1 146 146 LEU C C 123 175.815 175.815 175.660 0.155 18099 1372 1 2 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.383 -0.010 18099 1373 1 2 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.245 -5.340 18099 1374 1 2 . 1 1 146 146 LEU H H 123 9.627 9.627 8.168 1.459 18099 1375 1 2 . 1 1 147 147 ASN N N 124 123.904 123.904 120.800 3.104 18099 1376 1 2 . 1 1 147 147 ASN CA C 124 49.532 49.532 51.353 -1.821 18099 1377 1 2 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.192 -0.877 18099 1378 1 2 . 1 1 147 147 ASN H H 124 8.700 8.700 8.714 -0.014 18099 1379 1 2 . 1 1 148 148 ARG C C 125 178.331 178.331 178.600 -0.269 18099 1380 1 2 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.513 0.388 18099 1381 1 2 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.030 -0.762 18099 1382 1 2 . 1 1 149 149 GLU N N 126 120.114 120.114 119.434 0.680 18099 1383 1 2 . 1 1 149 149 GLU C C 126 179.537 179.537 178.863 0.674 18099 1384 1 2 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.338 -0.047 18099 1385 1 2 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.221 -1.228 18099 1386 1 2 . 1 1 149 149 GLU H H 126 7.679 7.679 8.606 -0.927 18099 1387 1 2 . 1 1 150 150 ASP N N 127 122.009 122.009 119.960 2.049 18099 1388 1 2 . 1 1 150 150 ASP C C 127 180.544 180.544 178.584 1.960 18099 1389 1 2 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.513 0.589 18099 1390 1 2 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.233 0.345 18099 1391 1 2 . 1 1 150 150 ASP H H 127 8.242 8.242 9.193 -0.951 18099 1392 1 2 . 1 1 151 151 LEU C C 128 178.251 178.251 178.796 -0.545 18099 1393 1 2 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.717 -0.603 18099 1394 1 2 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.703 -0.555 18099 1395 1 2 . 1 1 152 152 SER N N 129 116.324 116.324 113.696 2.628 18099 1396 1 2 . 1 1 152 152 SER C C 129 176.599 176.599 176.953 -0.354 18099 1397 1 2 . 1 1 152 152 SER CA C 129 61.113 61.113 60.994 0.119 18099 1398 1 2 . 1 1 152 152 SER CB C 129 62.531 62.531 62.262 0.269 18099 1399 1 2 . 1 1 152 152 SER H H 129 8.293 8.293 7.840 0.453 18099 1400 1 2 . 1 1 153 153 ARG N N 130 122.155 122.155 121.418 0.737 18099 1401 1 2 . 1 1 153 153 ARG C C 130 179.087 179.087 178.327 0.760 18099 1402 1 2 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.742 0.219 18099 1403 1 2 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.289 -2.538 18099 1404 1 2 . 1 1 153 153 ARG H H 130 7.590 7.590 7.610 -0.020 18099 1405 1 2 . 1 1 154 154 LEU N N 131 122.447 122.447 121.827 0.620 18099 1406 1 2 . 1 1 154 154 LEU C C 131 178.570 178.570 178.543 0.027 18099 1407 1 2 . 1 1 154 154 LEU CA C 131 58.854 58.854 57.998 0.856 18099 1408 1 2 . 1 1 154 154 LEU CB C 131 41.661 41.661 41.984 -0.323 18099 1409 1 2 . 1 1 154 154 LEU H H 131 8.307 8.307 7.670 0.637 18099 1410 1 2 . 1 1 155 155 VAL N N 132 118.802 118.802 115.874 2.928 18099 1411 1 2 . 1 1 155 155 VAL C C 132 178.948 178.948 177.121 1.827 18099 1412 1 2 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.828 -0.335 18099 1413 1 2 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.502 -0.809 18099 1414 1 2 . 1 1 155 155 VAL H H 132 8.438 8.438 8.499 -0.061 18099 1415 1 2 . 1 1 156 156 ASN N N 133 119.677 119.677 119.264 0.413 18099 1416 1 2 . 1 1 156 156 ASN C C 133 177.953 177.953 177.631 0.322 18099 1417 1 2 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.838 0.111 18099 1418 1 2 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.077 -0.194 18099 1419 1 2 . 1 1 156 156 ASN H H 133 8.057 8.057 7.666 0.391 18099 1420 1 2 . 1 1 157 157 CYS N N 134 118.219 118.219 119.065 -0.846 18099 1421 1 2 . 1 1 157 157 CYS C C 134 176.122 176.122 177.401 -1.279 18099 1422 1 2 . 1 1 157 157 CYS CA C 134 62.189 62.189 63.770 -1.581 18099 1423 1 2 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.491 -0.562 18099 1424 1 2 . 1 1 157 157 CYS H H 134 7.851 7.851 8.012 -0.161 18099 1425 1 2 . 1 1 158 158 LEU N N 135 117.782 117.782 118.884 -1.102 18099 1426 1 2 . 1 1 158 158 LEU C C 135 178.231 178.231 179.183 -0.952 18099 1427 1 2 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.344 -1.181 18099 1428 1 2 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.763 -0.451 18099 1429 1 2 . 1 1 158 158 LEU H H 135 7.691 7.691 7.801 -0.110 18099 1430 1 2 . 1 1 159 159 THR N N 136 109.763 109.763 113.993 -4.230 18099 1431 1 2 . 1 1 159 159 THR C C 136 175.724 175.724 175.319 0.405 18099 1432 1 2 . 1 1 159 159 THR CA C 136 62.297 62.297 65.565 -3.268 18099 1433 1 2 . 1 1 159 159 THR CB C 136 69.800 69.800 69.214 0.586 18099 1434 1 2 . 1 1 159 159 THR H H 136 7.785 7.785 7.859 -0.074 18099 1435 1 2 . 1 1 160 160 GLY N N 137 110.638 110.638 108.485 2.153 18099 1436 1 2 . 1 1 160 160 GLY C C 137 174.231 174.231 172.306 1.925 18099 1437 1 2 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.862 0.327 18099 1438 1 2 . 1 1 160 160 GLY H H 137 7.797 7.797 7.812 -0.015 18099 1439 1 2 . 1 1 161 161 GLU N N 138 120.260 120.260 122.716 -2.456 18099 1440 1 2 . 1 1 161 161 GLU C C 138 177.043 177.043 177.764 -0.721 18099 1441 1 2 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.622 -1.135 18099 1442 1 2 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.003 -0.287 18099 1443 1 2 . 1 1 161 161 GLU H H 138 8.239 8.239 7.753 0.486 18099 1444 1 2 . 1 1 162 162 GLY N N 139 109.909 109.909 112.077 -2.168 18099 1445 1 2 . 1 1 162 162 GLY C C 139 174.400 174.400 173.096 1.304 18099 1446 1 2 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.988 0.017 18099 1447 1 2 . 1 1 162 162 GLY H H 139 8.221 8.221 8.809 -0.588 18099 1448 1 2 . 1 1 164 164 ASP C C 141 176.480 176.480 176.644 -0.164 18099 1449 1 2 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.966 -0.326 18099 1450 1 2 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.118 -0.734 18099 1451 1 2 . 1 1 165 165 THR N N 142 112.242 112.242 113.290 -1.048 18099 1452 1 2 . 1 1 165 165 THR C C 142 174.251 174.251 174.874 -0.623 18099 1453 1 2 . 1 1 165 165 THR CA C 142 61.436 61.436 62.350 -0.914 18099 1454 1 2 . 1 1 165 165 THR CB C 142 69.364 69.364 69.344 0.020 18099 1455 1 2 . 1 1 165 165 THR H H 142 7.585 7.585 7.743 -0.158 18099 1456 1 2 . 1 1 166 166 ARG N N 143 123.467 123.467 119.816 3.651 18099 1457 1 2 . 1 1 166 166 ARG C C 143 176.360 176.360 175.246 1.114 18099 1458 1 2 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.155 -1.421 18099 1459 1 2 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.824 1.109 18099 1460 1 2 . 1 1 166 166 ARG H H 143 7.833 7.833 8.468 -0.635 18099 1461 1 2 . 1 1 167 167 LEU N N 144 124.342 124.342 122.840 1.502 18099 1462 1 2 . 1 1 167 167 LEU C C 144 177.614 177.614 175.657 1.957 18099 1463 1 2 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.169 1.167 18099 1464 1 2 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.704 -3.186 18099 1465 1 2 . 1 1 167 167 LEU H H 144 8.377 8.377 8.132 0.245 18099 1466 1 2 . 1 1 168 168 SER N N 145 119.385 119.385 117.419 1.966 18099 1467 1 2 . 1 1 168 168 SER C C 145 174.748 174.748 173.499 1.249 18099 1468 1 2 . 1 1 168 168 SER CA C 145 57.132 57.132 59.520 -2.388 18099 1469 1 2 . 1 1 168 168 SER CB C 145 64.882 64.882 63.586 1.296 18099 1470 1 2 . 1 1 168 168 SER H H 145 8.935 8.935 8.524 0.411 18099 1471 1 2 . 1 1 170 170 SER C C 147 177.296 177.296 176.199 1.097 18099 1472 1 2 . 1 1 170 170 SER CA C 147 60.665 60.665 61.111 -0.446 18099 1473 1 2 . 1 1 170 170 SER CB C 147 62.108 62.108 62.478 -0.370 18099 1474 1 2 . 1 1 171 171 GLU N N 148 124.488 124.488 121.232 3.256 18099 1475 1 2 . 1 1 171 171 GLU C C 148 179.525 179.525 178.717 0.808 18099 1476 1 2 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.870 -0.231 18099 1477 1 2 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.945 0.662 18099 1478 1 2 . 1 1 171 171 GLU H H 148 7.645 7.645 8.436 -0.791 18099 1479 1 2 . 1 1 172 172 MET N N 149 120.260 120.260 119.649 0.611 18099 1480 1 2 . 1 1 172 172 MET C C 149 177.117 177.117 177.835 -0.718 18099 1481 1 2 . 1 1 172 172 MET CA C 149 58.501 58.501 56.905 1.596 18099 1482 1 2 . 1 1 172 172 MET CB C 149 31.418 31.418 32.249 -0.831 18099 1483 1 2 . 1 1 172 172 MET H H 149 8.630 8.630 8.048 0.582 18099 1484 1 2 . 1 1 173 173 LYS N N 150 119.239 119.239 120.050 -0.811 18099 1485 1 2 . 1 1 173 173 LYS C C 150 178.012 178.012 178.817 -0.805 18099 1486 1 2 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.711 -0.103 18099 1487 1 2 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.316 -0.938 18099 1488 1 2 . 1 1 173 173 LYS H H 150 7.733 7.733 7.893 -0.160 18099 1489 1 2 . 1 1 174 174 GLN N N 151 116.907 116.907 117.184 -0.277 18099 1490 1 2 . 1 1 174 174 GLN C C 151 178.172 178.172 178.613 -0.441 18099 1491 1 2 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.584 0.732 18099 1492 1 2 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.335 -0.229 18099 1493 1 2 . 1 1 174 174 GLN H H 151 7.513 7.513 7.728 -0.215 18099 1494 1 2 . 1 1 175 175 LEU N N 152 120.989 120.989 122.728 -1.739 18099 1495 1 2 . 1 1 175 175 LEU C C 152 179.226 179.226 178.605 0.621 18099 1496 1 2 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.172 -0.022 18099 1497 1 2 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.682 -0.689 18099 1498 1 2 . 1 1 175 175 LEU H H 152 7.819 7.819 7.626 0.193 18099 1499 1 2 . 1 1 176 176 ILE N N 153 119.823 119.823 118.578 1.245 18099 1500 1 2 . 1 1 176 176 ILE C C 153 177.893 177.893 178.442 -0.549 18099 1501 1 2 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.784 1.525 18099 1502 1 2 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.227 0.639 18099 1503 1 2 . 1 1 176 176 ILE H H 153 8.210 8.210 7.643 0.567 18099 1504 1 2 . 1 1 177 177 ASP N N 154 120.114 120.114 120.958 -0.844 18099 1505 1 2 . 1 1 177 177 ASP C C 154 179.605 179.605 178.959 0.646 18099 1506 1 2 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.568 -0.115 18099 1507 1 2 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.962 -1.013 18099 1508 1 2 . 1 1 177 177 ASP H H 154 8.581 8.581 8.005 0.576 18099 1509 1 2 . 1 1 178 178 ASN N N 155 120.114 120.114 118.510 1.604 18099 1510 1 2 . 1 1 178 178 ASN C C 155 177.813 177.813 177.962 -0.149 18099 1511 1 2 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.882 0.282 18099 1512 1 2 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.334 -0.266 18099 1513 1 2 . 1 1 178 178 ASN H H 155 8.150 8.150 8.226 -0.076 18099 1514 1 2 . 1 1 179 179 ILE N N 156 122.301 122.301 121.489 0.812 18099 1515 1 2 . 1 1 179 179 ILE C C 156 180.182 180.182 178.211 1.971 18099 1516 1 2 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.632 -0.430 18099 1517 1 2 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.050 -0.534 18099 1518 1 2 . 1 1 179 179 ILE H H 156 8.360 8.360 7.802 0.558 18099 1519 1 2 . 1 1 180 180 LEU N N 157 121.864 121.864 120.379 1.485 18099 1520 1 2 . 1 1 180 180 LEU C C 157 178.859 178.859 179.324 -0.465 18099 1521 1 2 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.239 -0.138 18099 1522 1 2 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.598 -1.465 18099 1523 1 2 . 1 1 180 180 LEU H H 157 8.283 8.283 8.327 -0.044 18099 1524 1 2 . 1 1 181 181 GLU N N 158 120.843 120.843 119.195 1.648 18099 1525 1 2 . 1 1 181 181 GLU C C 158 179.062 179.062 179.298 -0.236 18099 1526 1 2 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.329 -0.145 18099 1527 1 2 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.654 -0.967 18099 1528 1 2 . 1 1 181 181 GLU H H 158 8.465 8.465 8.275 0.190 18099 1529 1 2 . 1 1 182 182 GLU N N 159 114.574 114.574 117.706 -3.132 18099 1530 1 2 . 1 1 182 182 GLU C C 159 178.090 178.090 177.829 0.261 18099 1531 1 2 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.453 -0.909 18099 1532 1 2 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.738 0.377 18099 1533 1 2 . 1 1 182 182 GLU H H 159 7.651 7.651 8.252 -0.601 18099 1534 1 2 . 1 1 183 183 SER N N 160 110.492 110.492 113.010 -2.518 18099 1535 1 2 . 1 1 183 183 SER C C 160 174.309 174.309 174.626 -0.317 18099 1536 1 2 . 1 1 183 183 SER CA C 160 59.252 59.252 59.850 -0.598 18099 1537 1 2 . 1 1 183 183 SER CB C 160 65.311 65.311 64.209 1.102 18099 1538 1 2 . 1 1 183 183 SER H H 160 7.670 7.670 8.037 -0.367 18099 1539 1 2 . 1 1 184 184 ASP N N 161 120.551 120.551 121.067 -0.516 18099 1540 1 2 . 1 1 184 184 ASP C C 161 177.190 177.190 175.954 1.236 18099 1541 1 2 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.301 -1.884 18099 1542 1 2 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.850 -2.895 18099 1543 1 2 . 1 1 184 184 ASP H H 161 8.437 8.437 8.106 0.331 18099 1544 1 2 . 1 1 185 185 ILE N N 162 126.820 126.820 121.768 5.052 18099 1545 1 2 . 1 1 185 185 ILE C C 162 177.878 177.878 175.670 2.208 18099 1546 1 2 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.071 0.485 18099 1547 1 2 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.950 -1.851 18099 1548 1 2 . 1 1 185 185 ILE H H 162 7.588 7.588 8.232 -0.644 18099 1549 1 2 . 1 1 186 186 ASP N N 163 116.615 116.615 118.572 -1.957 18099 1550 1 2 . 1 1 186 186 ASP C C 163 176.171 176.171 176.513 -0.342 18099 1551 1 2 . 1 1 186 186 ASP CA C 163 53.253 53.253 55.119 -1.866 18099 1552 1 2 . 1 1 186 186 ASP CB C 163 38.780 38.780 39.705 -0.924 18099 1553 1 2 . 1 1 186 186 ASP H H 163 8.247 8.247 8.248 -0.001 18099 1554 1 2 . 1 1 187 187 ARG N N 164 115.303 115.303 115.317 -0.014 18099 1555 1 2 . 1 1 187 187 ARG C C 164 176.086 176.086 175.697 0.389 18099 1556 1 2 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.920 -0.382 18099 1557 1 2 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.587 -3.060 18099 1558 1 2 . 1 1 187 187 ARG H H 164 7.597 7.597 8.244 -0.647 18099 1559 1 2 . 1 1 188 188 ASP N N 165 120.551 120.551 116.336 4.215 18099 1560 1 2 . 1 1 188 188 ASP C C 165 177.731 177.731 177.395 0.336 18099 1561 1 2 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.336 -1.700 18099 1562 1 2 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.417 -0.106 18099 1563 1 2 . 1 1 188 188 ASP H H 165 8.603 8.603 8.294 0.309 18099 1564 1 2 . 1 1 189 189 GLY N N 166 114.283 114.283 107.122 7.161 18099 1565 1 2 . 1 1 189 189 GLY C C 166 173.220 173.220 173.748 -0.528 18099 1566 1 2 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.226 -0.295 18099 1567 1 2 . 1 1 189 189 GLY H H 166 10.434 10.434 8.743 1.691 18099 1568 1 2 . 1 1 190 190 THR N N 167 110.201 110.201 111.170 -0.969 18099 1569 1 2 . 1 1 190 190 THR C C 167 173.793 173.793 173.085 0.708 18099 1570 1 2 . 1 1 190 190 THR CA C 167 59.054 59.054 60.452 -1.398 18099 1571 1 2 . 1 1 190 190 THR CB C 167 72.483 72.483 72.221 0.262 18099 1572 1 2 . 1 1 190 190 THR H H 167 8.087 8.087 8.388 -0.301 18099 1573 1 2 . 1 1 191 191 ILE N N 168 124.779 124.779 123.034 1.745 18099 1574 1 2 . 1 1 191 191 ILE C C 168 175.685 175.685 175.168 0.517 18099 1575 1 2 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.270 -1.193 18099 1576 1 2 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.313 -1.907 18099 1577 1 2 . 1 1 191 191 ILE H H 168 9.275 9.275 8.175 1.100 18099 1578 1 2 . 1 1 192 192 ASN N N 169 109.180 109.180 125.084 -15.904 18099 1579 1 2 . 1 1 192 192 ASN C C 169 175.095 175.095 175.952 -0.857 18099 1580 1 2 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.400 -0.448 18099 1581 1 2 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.811 -1.605 18099 1582 1 2 . 1 1 192 192 ASN H H 169 9.154 9.154 8.463 0.691 18099 1583 1 2 . 1 1 193 193 LEU N N 170 120.697 120.697 119.684 1.013 18099 1584 1 2 . 1 1 193 193 LEU C C 170 178.160 178.160 178.136 0.024 18099 1585 1 2 . 1 1 193 193 LEU CA C 170 58.382 58.382 57.802 0.580 18099 1586 1 2 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.312 -0.834 18099 1587 1 2 . 1 1 193 193 LEU H H 170 8.162 8.162 8.379 -0.217 18099 1588 1 2 . 1 1 194 194 SER N N 171 114.283 114.283 114.219 0.064 18099 1589 1 2 . 1 1 194 194 SER C C 171 178.124 178.124 176.998 1.126 18099 1590 1 2 . 1 1 194 194 SER CA C 171 60.901 60.901 61.538 -0.638 18099 1591 1 2 . 1 1 194 194 SER CB C 171 62.358 62.358 62.667 -0.309 18099 1592 1 2 . 1 1 194 194 SER H H 171 7.812 7.812 8.341 -0.529 18099 1593 1 2 . 1 1 195 195 GLU N N 172 124.050 124.050 121.852 2.198 18099 1594 1 2 . 1 1 195 195 GLU C C 172 179.334 179.334 178.988 0.346 18099 1595 1 2 . 1 1 195 195 GLU CA C 172 58.842 58.842 59.120 -0.278 18099 1596 1 2 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.596 -0.812 18099 1597 1 2 . 1 1 195 195 GLU H H 172 8.540 8.540 9.045 -0.505 18099 1598 1 2 . 1 1 196 196 PHE N N 173 121.864 121.864 121.164 0.700 18099 1599 1 2 . 1 1 196 196 PHE C C 173 176.340 176.340 177.271 -0.931 18099 1600 1 2 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.664 -0.492 18099 1601 1 2 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.374 0.287 18099 1602 1 2 . 1 1 196 196 PHE H H 173 8.738 8.738 8.564 0.174 18099 1603 1 2 . 1 1 197 197 GLN N N 174 117.198 117.198 118.593 -1.395 18099 1604 1 2 . 1 1 197 197 GLN C C 174 178.868 178.868 177.861 1.007 18099 1605 1 2 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.157 -0.088 18099 1606 1 2 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.566 -1.046 18099 1607 1 2 . 1 1 197 197 GLN H H 174 8.912 8.912 8.063 0.849 18099 1608 1 2 . 1 1 198 198 HIS N N 175 120.697 120.697 118.425 2.272 18099 1609 1 2 . 1 1 198 198 HIS C C 175 177.236 177.236 178.427 -1.191 18099 1610 1 2 . 1 1 198 198 HIS CA C 175 59.715 59.715 58.668 1.047 18099 1611 1 2 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.941 -0.362 18099 1612 1 2 . 1 1 198 198 HIS H H 175 8.165 8.165 7.437 0.728 18099 1613 1 2 . 1 1 199 199 VAL N N 176 117.927 117.927 120.119 -2.192 18099 1614 1 2 . 1 1 199 199 VAL C C 176 178.749 178.749 178.811 -0.062 18099 1615 1 2 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.337 -0.705 18099 1616 1 2 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.588 -0.972 18099 1617 1 2 . 1 1 199 199 VAL H H 176 7.654 7.654 8.423 -0.769 18099 1618 1 2 . 1 1 200 200 ILE N N 177 117.636 117.636 117.266 0.370 18099 1619 1 2 . 1 1 200 200 ILE C C 177 178.331 178.331 176.625 1.706 18099 1620 1 2 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.541 -1.029 18099 1621 1 2 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.155 -1.896 18099 1622 1 2 . 1 1 200 200 ILE H H 177 7.540 7.540 7.737 -0.197 18099 1623 1 2 . 1 1 201 201 SER C C 178 174.450 174.450 174.418 0.032 18099 1624 1 2 . 1 1 201 201 SER CA C 178 60.450 60.450 57.942 2.508 18099 1625 1 2 . 1 1 201 201 SER CB C 178 62.849 62.849 62.768 0.081 18099 1626 1 2 . 1 1 202 202 ARG N N 179 118.073 118.073 121.950 -3.877 18099 1627 1 2 . 1 1 202 202 ARG C C 179 176.778 176.778 175.726 1.052 18099 1628 1 2 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.869 -1.673 18099 1629 1 2 . 1 1 202 202 ARG CB C 179 29.291 29.291 32.189 -2.898 18099 1630 1 2 . 1 1 202 202 ARG H H 179 6.975 6.975 7.427 -0.452 18099 1631 1 2 . 1 1 203 203 SER N N 180 117.927 117.927 114.184 3.743 18099 1632 1 2 . 1 1 203 203 SER CA C 180 55.949 55.949 56.206 -0.257 18099 1633 1 2 . 1 1 203 203 SER CB C 180 63.786 63.786 65.176 -1.390 18099 1634 1 2 . 1 1 203 203 SER H H 180 7.391 7.391 7.603 -0.212 18099 1635 1 2 . 1 1 206 206 PHE C C 183 176.466 176.466 177.483 -1.017 18099 1636 1 2 . 1 1 206 206 PHE CA C 183 57.576 57.576 59.309 -1.733 18099 1637 1 2 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.313 1.153 18099 1638 1 2 . 1 1 207 207 ALA N N 184 123.904 123.904 122.396 1.508 18099 1639 1 2 . 1 1 207 207 ALA CA C 184 55.030 55.030 54.716 0.314 18099 1640 1 2 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.501 -0.311 18099 1641 1 2 . 1 1 207 207 ALA H H 184 8.032 8.032 7.610 0.422 18099 1642 1 2 . 1 1 211 211 LYS C C 188 175.805 175.805 175.923 -0.118 18099 1643 1 2 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.135 -2.985 18099 1644 1 2 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.756 -1.202 18099 1645 1 2 . 1 1 212 212 ILE N N 189 122.155 122.155 117.637 4.518 18099 1646 1 2 . 1 1 212 212 ILE C C 189 175.725 175.725 175.116 0.609 18099 1647 1 2 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.913 0.628 18099 1648 1 2 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.483 -0.545 18099 1649 1 2 . 1 1 212 212 ILE H H 189 7.940 7.940 8.214 -0.274 18099 1650 1 2 . 1 1 213 213 VAL N N 190 125.945 125.945 125.971 -0.026 18099 1651 1 2 . 1 1 213 213 VAL C C 190 174.938 174.938 175.027 -0.089 18099 1652 1 2 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.646 0.224 18099 1653 1 2 . 1 1 213 213 VAL CB C 190 31.892 31.892 34.871 -2.979 18099 1654 1 2 . 1 1 213 213 VAL H H 190 8.076 8.076 8.374 -0.298 18099 1655 1 3 . 1 1 32 32 SER N N 9 117.053 117.053 119.301 -2.248 18099 1656 1 3 . 1 1 32 32 SER C C 9 174.637 174.637 175.441 -0.804 18099 1657 1 3 . 1 1 32 32 SER CA C 9 57.078 57.078 57.394 -0.316 18099 1658 1 3 . 1 1 32 32 SER CB C 9 64.513 64.513 65.211 -0.698 18099 1659 1 3 . 1 1 32 32 SER H H 9 7.690 7.690 8.053 -0.363 18099 1660 1 3 . 1 1 33 33 LYS C C 10 178.968 178.968 178.399 0.569 18099 1661 1 3 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.731 1.319 18099 1662 1 3 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.793 -0.456 18099 1663 1 3 . 1 1 34 34 GLU N N 11 120.114 120.114 119.936 0.178 18099 1664 1 3 . 1 1 34 34 GLU C C 11 178.968 178.968 178.362 0.606 18099 1665 1 3 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.570 1.037 18099 1666 1 3 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.969 -1.002 18099 1667 1 3 . 1 1 34 34 GLU H H 11 8.720 8.720 7.510 1.210 18099 1668 1 3 . 1 1 35 35 LEU N N 12 122.738 122.738 121.225 1.513 18099 1669 1 3 . 1 1 35 35 LEU C C 12 178.749 178.749 178.968 -0.219 18099 1670 1 3 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.411 -0.386 18099 1671 1 3 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.673 -0.559 18099 1672 1 3 . 1 1 35 35 LEU H H 12 7.613 7.613 7.965 -0.352 18099 1673 1 3 . 1 1 36 36 LEU N N 13 118.510 118.510 119.302 -0.792 18099 1674 1 3 . 1 1 36 36 LEU C C 13 178.788 178.788 178.122 0.666 18099 1675 1 3 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.696 -0.026 18099 1676 1 3 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.108 -0.059 18099 1677 1 3 . 1 1 36 36 LEU H H 13 8.252 8.252 7.439 0.813 18099 1678 1 3 . 1 1 37 37 ALA N N 14 119.968 119.968 120.822 -0.854 18099 1679 1 3 . 1 1 37 37 ALA C C 14 180.023 180.023 179.536 0.487 18099 1680 1 3 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.641 -0.099 18099 1681 1 3 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.846 -0.416 18099 1682 1 3 . 1 1 37 37 ALA H H 14 7.664 7.664 7.773 -0.109 18099 1683 1 3 . 1 1 38 38 GLU N N 15 119.239 119.239 119.415 -0.176 18099 1684 1 3 . 1 1 38 38 GLU C C 15 179.326 179.326 178.363 0.963 18099 1685 1 3 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.720 -0.081 18099 1686 1 3 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.574 -1.131 18099 1687 1 3 . 1 1 38 38 GLU H H 15 7.501 7.501 7.555 -0.054 18099 1688 1 3 . 1 1 39 39 TYR N N 16 117.053 117.053 117.699 -0.646 18099 1689 1 3 . 1 1 39 39 TYR C C 16 178.868 178.868 178.156 0.712 18099 1690 1 3 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.501 -0.464 18099 1691 1 3 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.230 -0.877 18099 1692 1 3 . 1 1 39 39 TYR H H 16 8.156 8.156 7.346 0.810 18099 1693 1 3 . 1 1 40 40 GLN N N 17 121.718 121.718 118.626 3.092 18099 1694 1 3 . 1 1 40 40 GLN C C 17 176.938 176.938 177.523 -0.585 18099 1695 1 3 . 1 1 40 40 GLN CA C 17 58.531 58.531 58.203 0.328 18099 1696 1 3 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.390 0.121 18099 1697 1 3 . 1 1 40 40 GLN H H 17 8.287 8.287 7.677 0.610 18099 1698 1 3 . 1 1 41 41 ASP N N 18 117.636 117.636 120.399 -2.763 18099 1699 1 3 . 1 1 41 41 ASP C C 18 177.336 177.336 176.969 0.367 18099 1700 1 3 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.667 -1.074 18099 1701 1 3 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.900 -0.337 18099 1702 1 3 . 1 1 41 41 ASP H H 18 7.448 7.448 7.612 -0.164 18099 1703 1 3 . 1 1 42 42 LEU N N 19 117.782 117.782 119.815 -2.033 18099 1704 1 3 . 1 1 42 42 LEU C C 19 176.938 176.938 176.480 0.458 18099 1705 1 3 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.743 0.795 18099 1706 1 3 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.000 0.930 18099 1707 1 3 . 1 1 42 42 LEU H H 19 7.444 7.444 8.570 -1.126 18099 1708 1 3 . 1 1 43 43 THR N N 20 109.763 109.763 114.804 -5.041 18099 1709 1 3 . 1 1 43 43 THR C C 20 173.096 173.096 175.662 -2.566 18099 1710 1 3 . 1 1 43 43 THR CA C 20 60.145 60.145 63.009 -2.864 18099 1711 1 3 . 1 1 43 43 THR CB C 20 71.461 71.461 70.437 1.024 18099 1712 1 3 . 1 1 43 43 THR H H 20 7.348 7.348 8.005 -0.657 18099 1713 1 3 . 1 1 44 44 PHE N N 21 117.490 117.490 122.285 -4.795 18099 1714 1 3 . 1 1 44 44 PHE C C 21 175.465 175.465 175.618 -0.153 18099 1715 1 3 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.542 -1.732 18099 1716 1 3 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.189 -1.884 18099 1717 1 3 . 1 1 44 44 PHE H H 21 7.686 7.686 7.935 -0.249 18099 1718 1 3 . 1 1 45 45 LEU N N 22 120.260 120.260 120.694 -0.434 18099 1719 1 3 . 1 1 45 45 LEU C C 22 177.017 177.017 177.001 0.016 18099 1720 1 3 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.853 0.159 18099 1721 1 3 . 1 1 45 45 LEU CB C 22 43.157 43.157 40.690 2.467 18099 1722 1 3 . 1 1 45 45 LEU H H 22 7.350 7.350 7.750 -0.401 18099 1723 1 3 . 1 1 46 46 THR N N 23 111.076 111.076 118.100 -7.024 18099 1724 1 3 . 1 1 46 46 THR C C 23 176.002 176.002 174.822 1.180 18099 1725 1 3 . 1 1 46 46 THR CA C 23 60.468 60.468 62.170 -1.702 18099 1726 1 3 . 1 1 46 46 THR CB C 23 71.212 71.212 69.961 1.251 18099 1727 1 3 . 1 1 46 46 THR H H 23 8.666 8.666 8.158 0.508 18099 1728 1 3 . 1 1 47 47 LYS N N 24 120.260 120.260 118.562 1.698 18099 1729 1 3 . 1 1 47 47 LYS C C 24 178.231 178.231 178.619 -0.388 18099 1730 1 3 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.334 3.216 18099 1731 1 3 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.601 -2.183 18099 1732 1 3 . 1 1 47 47 LYS H H 24 8.598 8.598 8.328 0.270 18099 1733 1 3 . 1 1 48 48 GLN N N 25 116.324 116.324 121.454 -5.130 18099 1734 1 3 . 1 1 48 48 GLN C C 25 179.047 179.047 177.901 1.146 18099 1735 1 3 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.341 -0.380 18099 1736 1 3 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.659 -1.386 18099 1737 1 3 . 1 1 48 48 GLN H H 25 8.390 8.390 8.552 -0.162 18099 1738 1 3 . 1 1 49 49 GLU N N 26 119.677 119.677 120.238 -0.561 18099 1739 1 3 . 1 1 49 49 GLU C C 26 179.804 179.804 179.545 0.259 18099 1740 1 3 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.422 -0.353 18099 1741 1 3 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.556 0.769 18099 1742 1 3 . 1 1 49 49 GLU H H 26 7.644 7.644 7.837 -0.193 18099 1743 1 3 . 1 1 50 50 ILE N N 27 123.613 123.613 119.024 4.589 18099 1744 1 3 . 1 1 50 50 ILE C C 27 177.634 177.634 178.060 -0.426 18099 1745 1 3 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.721 2.588 18099 1746 1 3 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.771 0.301 18099 1747 1 3 . 1 1 50 50 ILE H H 27 8.344 8.344 7.525 0.819 18099 1748 1 3 . 1 1 51 51 LEU N N 28 120.697 120.697 122.663 -1.966 18099 1749 1 3 . 1 1 51 51 LEU C C 28 180.620 180.620 178.817 1.803 18099 1750 1 3 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.201 -0.100 18099 1751 1 3 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.675 -0.929 18099 1752 1 3 . 1 1 51 51 LEU H H 28 8.046 8.046 7.996 0.050 18099 1753 1 3 . 1 1 52 52 LEU N N 29 121.426 121.426 119.933 1.493 18099 1754 1 3 . 1 1 52 52 LEU C C 29 178.968 178.968 178.474 0.494 18099 1755 1 3 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.582 0.088 18099 1756 1 3 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.314 -0.741 18099 1757 1 3 . 1 1 52 52 LEU H H 29 7.998 7.998 8.275 -0.277 18099 1758 1 3 . 1 1 53 53 ALA N N 30 122.447 122.447 121.359 1.088 18099 1759 1 3 . 1 1 53 53 ALA C C 30 179.804 179.804 179.357 0.447 18099 1760 1 3 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.215 -0.019 18099 1761 1 3 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.050 0.054 18099 1762 1 3 . 1 1 53 53 ALA H H 30 8.380 8.380 8.199 0.181 18099 1763 1 3 . 1 1 54 54 HIS N N 31 118.656 118.656 119.296 -0.640 18099 1764 1 3 . 1 1 54 54 HIS C C 31 177.475 177.475 177.311 0.164 18099 1765 1 3 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.371 2.388 18099 1766 1 3 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.060 0.559 18099 1767 1 3 . 1 1 54 54 HIS H H 31 8.760 8.760 8.410 0.350 18099 1768 1 3 . 1 1 55 55 ARG N N 32 121.135 121.135 118.662 2.473 18099 1769 1 3 . 1 1 55 55 ARG C C 32 179.366 179.366 178.544 0.822 18099 1770 1 3 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.238 0.369 18099 1771 1 3 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.920 -0.955 18099 1772 1 3 . 1 1 55 55 ARG H H 32 7.926 7.926 7.643 0.283 18099 1773 1 3 . 1 1 56 56 ARG N N 33 118.219 118.219 118.618 -0.399 18099 1774 1 3 . 1 1 56 56 ARG C C 33 178.669 178.669 178.981 -0.312 18099 1775 1 3 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.234 -0.086 18099 1776 1 3 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.956 -0.798 18099 1777 1 3 . 1 1 56 56 ARG H H 33 8.302 8.302 7.484 0.818 18099 1778 1 3 . 1 1 57 57 PHE N N 34 120.989 120.989 117.327 3.662 18099 1779 1 3 . 1 1 57 57 PHE C C 34 177.435 177.435 177.382 0.053 18099 1780 1 3 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.284 0.937 18099 1781 1 3 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.497 1.052 18099 1782 1 3 . 1 1 57 57 PHE H H 34 8.675 8.675 8.174 0.501 18099 1783 1 3 . 1 1 58 58 CYS N N 35 114.283 114.283 118.350 -4.067 18099 1784 1 3 . 1 1 58 58 CYS C C 35 176.958 176.958 176.925 0.033 18099 1785 1 3 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.282 2.521 18099 1786 1 3 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.757 -0.141 18099 1787 1 3 . 1 1 58 58 CYS H H 35 8.147 8.147 7.759 0.388 18099 1788 1 3 . 1 1 59 59 GLU N N 36 116.615 116.615 119.977 -3.362 18099 1789 1 3 . 1 1 59 59 GLU C C 36 177.276 177.276 177.654 -0.378 18099 1790 1 3 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.768 -0.882 18099 1791 1 3 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.355 -0.721 18099 1792 1 3 . 1 1 59 59 GLU H H 36 7.237 7.237 7.578 -0.341 18099 1793 1 3 . 1 1 60 60 LEU N N 37 116.615 116.615 117.190 -0.575 18099 1794 1 3 . 1 1 60 60 LEU C C 37 176.778 176.778 177.402 -0.624 18099 1795 1 3 . 1 1 60 60 LEU CA C 37 54.120 54.120 56.103 -1.984 18099 1796 1 3 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.167 -1.408 18099 1797 1 3 . 1 1 60 60 LEU H H 37 7.188 7.188 7.462 -0.274 18099 1798 1 3 . 1 1 61 61 LEU N N 38 119.531 119.531 119.263 0.268 18099 1799 1 3 . 1 1 61 61 LEU C C 38 174.848 174.848 174.615 0.233 18099 1800 1 3 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.730 0.023 18099 1801 1 3 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.493 -1.776 18099 1802 1 3 . 1 1 61 61 LEU H H 38 7.060 7.060 7.421 -0.361 18099 1803 1 3 . 1 1 63 63 GLN C C 40 177.754 177.754 178.281 -0.527 18099 1804 1 3 . 1 1 63 63 GLN CA C 40 59.266 59.266 59.016 0.250 18099 1805 1 3 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.281 -0.441 18099 1806 1 3 . 1 1 64 64 GLU N N 41 117.053 117.053 117.800 -0.747 18099 1807 1 3 . 1 1 64 64 GLU C C 41 177.276 177.276 177.854 -0.578 18099 1808 1 3 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.269 -0.061 18099 1809 1 3 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.297 -1.391 18099 1810 1 3 . 1 1 64 64 GLU H H 41 9.287 9.287 8.547 0.740 18099 1811 1 3 . 1 1 65 65 GLN N N 42 119.094 119.094 117.630 1.464 18099 1812 1 3 . 1 1 65 65 GLN C C 42 174.171 174.171 175.991 -1.820 18099 1813 1 3 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.022 -0.257 18099 1814 1 3 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.416 0.853 18099 1815 1 3 . 1 1 65 65 GLN H H 42 8.006 8.006 7.714 0.292 18099 1816 1 3 . 1 1 66 66 ARG N N 43 115.157 115.157 119.227 -4.070 18099 1817 1 3 . 1 1 66 66 ARG C C 43 176.221 176.221 176.125 0.096 18099 1818 1 3 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.098 0.034 18099 1819 1 3 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.428 -1.250 18099 1820 1 3 . 1 1 66 66 ARG H H 43 7.039 7.039 7.461 -0.422 18099 1821 1 3 . 1 1 67 67 SER N N 44 114.720 114.720 115.719 -0.999 18099 1822 1 3 . 1 1 67 67 SER C C 44 175.505 175.505 175.960 -0.455 18099 1823 1 3 . 1 1 67 67 SER CA C 44 57.532 57.532 58.743 -1.211 18099 1824 1 3 . 1 1 67 67 SER CB C 44 63.911 63.911 63.755 0.156 18099 1825 1 3 . 1 1 67 67 SER H H 44 7.641 7.641 7.934 -0.293 18099 1826 1 3 . 1 1 68 68 VAL C C 45 178.271 178.271 177.560 0.711 18099 1827 1 3 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.300 2.036 18099 1828 1 3 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.988 -1.577 18099 1829 1 3 . 1 1 69 69 GLU N N 46 118.365 118.365 119.216 -0.851 18099 1830 1 3 . 1 1 69 69 GLU C C 46 179.187 179.187 177.722 1.465 18099 1831 1 3 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.031 0.684 18099 1832 1 3 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.095 -0.883 18099 1833 1 3 . 1 1 69 69 GLU H H 46 8.862 8.862 8.642 0.220 18099 1834 1 3 . 1 1 70 70 SER N N 47 114.137 114.137 113.775 0.362 18099 1835 1 3 . 1 1 70 70 SER C C 47 178.251 178.251 175.931 2.320 18099 1836 1 3 . 1 1 70 70 SER CA C 47 61.113 61.113 60.072 1.042 18099 1837 1 3 . 1 1 70 70 SER CB C 47 62.543 62.543 64.055 -1.512 18099 1838 1 3 . 1 1 70 70 SER H H 47 7.588 7.588 7.615 -0.027 18099 1839 1 3 . 1 1 71 71 SER N N 48 121.280 121.280 119.344 1.936 18099 1840 1 3 . 1 1 71 71 SER C C 48 176.102 176.102 175.783 0.319 18099 1841 1 3 . 1 1 71 71 SER CA C 48 61.544 61.544 61.437 0.107 18099 1842 1 3 . 1 1 71 71 SER CB C 48 63.348 63.348 63.393 -0.045 18099 1843 1 3 . 1 1 71 71 SER H H 48 8.785 8.785 7.757 1.028 18099 1844 1 3 . 1 1 72 72 LEU N N 49 120.551 120.551 120.414 0.137 18099 1845 1 3 . 1 1 72 72 LEU C C 49 177.555 177.555 178.748 -1.193 18099 1846 1 3 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.304 -0.140 18099 1847 1 3 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.293 -2.113 18099 1848 1 3 . 1 1 72 72 LEU H H 49 7.216 7.216 8.225 -1.009 18099 1849 1 3 . 1 1 73 73 ARG N N 50 116.469 116.469 117.731 -1.262 18099 1850 1 3 . 1 1 73 73 ARG C C 50 175.942 175.942 175.854 0.088 18099 1851 1 3 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.449 -1.684 18099 1852 1 3 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.373 -0.692 18099 1853 1 3 . 1 1 73 73 ARG H H 50 7.394 7.394 8.151 -0.757 18099 1854 1 3 . 1 1 74 74 ALA N N 51 123.904 123.904 121.270 2.634 18099 1855 1 3 . 1 1 74 74 ALA C C 51 176.778 176.778 175.866 0.912 18099 1856 1 3 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.114 1.177 18099 1857 1 3 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.050 -0.002 18099 1858 1 3 . 1 1 74 74 ALA H H 51 7.263 7.263 7.582 -0.319 18099 1859 1 3 . 1 1 75 75 GLN N N 52 118.073 118.073 119.374 -1.301 18099 1860 1 3 . 1 1 75 75 GLN C C 52 175.524 175.524 175.519 0.005 18099 1861 1 3 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.114 -1.317 18099 1862 1 3 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.253 -0.037 18099 1863 1 3 . 1 1 75 75 GLN H H 52 8.283 8.283 8.377 -0.094 18099 1864 1 3 . 1 1 76 76 VAL N N 53 124.925 124.925 120.618 4.307 18099 1865 1 3 . 1 1 76 76 VAL C C 53 173.753 173.753 173.928 -0.175 18099 1866 1 3 . 1 1 76 76 VAL CA C 53 58.854 58.854 59.261 -0.407 18099 1867 1 3 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.873 0.149 18099 1868 1 3 . 1 1 76 76 VAL H H 53 9.093 9.093 8.047 1.046 18099 1869 1 3 . 1 1 77 77 PRO C C 54 178.132 178.132 177.302 0.830 18099 1870 1 3 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.353 -1.182 18099 1871 1 3 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.308 -0.052 18099 1872 1 3 . 1 1 78 78 PHE N N 55 120.406 120.406 122.905 -2.499 18099 1873 1 3 . 1 1 78 78 PHE C C 55 177.236 177.236 177.277 -0.041 18099 1874 1 3 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.167 -4.281 18099 1875 1 3 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.366 -3.099 18099 1876 1 3 . 1 1 78 78 PHE H H 55 7.897 7.897 8.983 -1.086 18099 1877 1 3 . 1 1 79 79 GLU N N 56 117.636 117.636 117.935 -0.299 18099 1878 1 3 . 1 1 79 79 GLU C C 56 178.410 178.410 178.403 0.007 18099 1879 1 3 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.598 0.547 18099 1880 1 3 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.176 0.201 18099 1881 1 3 . 1 1 79 79 GLU H H 56 9.202 9.202 8.903 0.299 18099 1882 1 3 . 1 1 80 80 GLN N N 57 114.429 114.429 117.724 -3.295 18099 1883 1 3 . 1 1 80 80 GLN C C 57 178.012 178.012 178.289 -0.277 18099 1884 1 3 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.564 -1.217 18099 1885 1 3 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.068 1.285 18099 1886 1 3 . 1 1 80 80 GLN H H 57 7.332 7.332 8.593 -1.261 18099 1887 1 3 . 1 1 81 81 ILE N N 58 120.989 120.989 118.180 2.809 18099 1888 1 3 . 1 1 81 81 ILE C C 58 177.236 177.236 178.581 -1.345 18099 1889 1 3 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.191 -1.401 18099 1890 1 3 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.297 -1.005 18099 1891 1 3 . 1 1 81 81 ILE H H 58 7.375 7.375 7.609 -0.234 18099 1892 1 3 . 1 1 82 82 LEU N N 59 116.469 116.469 117.285 -0.816 18099 1893 1 3 . 1 1 82 82 LEU C C 59 176.360 176.360 176.683 -0.323 18099 1894 1 3 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.398 -0.019 18099 1895 1 3 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.598 -0.923 18099 1896 1 3 . 1 1 82 82 LEU H H 59 8.144 8.144 7.264 0.880 18099 1897 1 3 . 1 1 83 83 SER N N 60 110.347 110.347 112.591 -2.244 18099 1898 1 3 . 1 1 83 83 SER C C 60 174.708 174.708 175.232 -0.524 18099 1899 1 3 . 1 1 83 83 SER CA C 60 58.316 58.316 59.110 -0.794 18099 1900 1 3 . 1 1 83 83 SER CB C 60 64.074 64.074 63.096 0.978 18099 1901 1 3 . 1 1 83 83 SER H H 60 7.038 7.038 7.321 -0.283 18099 1902 1 3 . 1 1 84 84 LEU N N 61 124.633 124.633 122.978 1.655 18099 1903 1 3 . 1 1 84 84 LEU C C 61 176.599 176.599 174.745 1.854 18099 1904 1 3 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.025 1.664 18099 1905 1 3 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.700 -3.297 18099 1906 1 3 . 1 1 84 84 LEU H H 61 7.674 7.674 7.207 0.467 18099 1907 1 3 . 1 1 85 85 PRO C C 62 178.457 178.457 178.716 -0.259 18099 1908 1 3 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.289 0.039 18099 1909 1 3 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.909 -0.999 18099 1910 1 3 . 1 1 86 86 GLU N N 63 117.198 117.198 118.223 -1.025 18099 1911 1 3 . 1 1 86 86 GLU C C 63 176.280 176.280 179.249 -2.969 18099 1912 1 3 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.342 0.353 18099 1913 1 3 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.197 -1.473 18099 1914 1 3 . 1 1 86 86 GLU H H 63 10.005 10.005 8.803 1.202 18099 1915 1 3 . 1 1 87 87 LEU N N 64 115.595 115.595 119.004 -3.409 18099 1916 1 3 . 1 1 87 87 LEU C C 64 178.197 178.197 179.191 -0.994 18099 1917 1 3 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.288 -2.027 18099 1918 1 3 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.595 2.199 18099 1919 1 3 . 1 1 87 87 LEU H H 64 7.347 7.347 7.970 -0.623 18099 1920 1 3 . 1 1 88 88 LYS N N 65 119.677 119.677 121.296 -1.619 18099 1921 1 3 . 1 1 88 88 LYS C C 65 176.891 176.891 177.816 -0.925 18099 1922 1 3 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.990 0.967 18099 1923 1 3 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.445 -0.915 18099 1924 1 3 . 1 1 88 88 LYS H H 65 7.841 7.841 7.586 0.255 18099 1925 1 3 . 1 1 89 89 ALA C C 66 176.503 176.503 177.136 -0.633 18099 1926 1 3 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.159 -2.333 18099 1927 1 3 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.652 -0.557 18099 1928 1 3 . 1 1 90 90 ASN N N 67 123.467 123.467 118.216 5.251 18099 1929 1 3 . 1 1 90 90 ASN C C 67 175.955 175.955 173.966 1.989 18099 1930 1 3 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.397 0.533 18099 1931 1 3 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.557 1.633 18099 1932 1 3 . 1 1 90 90 ASN H H 67 7.847 7.847 7.329 0.518 18099 1933 1 3 . 1 1 91 91 PRO C C 68 176.918 176.918 174.964 1.954 18099 1934 1 3 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.704 0.189 18099 1935 1 3 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.321 0.031 18099 1936 1 3 . 1 1 92 92 PHE N N 69 116.178 116.178 112.907 3.271 18099 1937 1 3 . 1 1 92 92 PHE C C 69 176.977 176.977 175.681 1.296 18099 1938 1 3 . 1 1 92 92 PHE CA C 69 56.917 56.917 55.790 1.127 18099 1939 1 3 . 1 1 92 92 PHE CB C 69 38.077 38.077 38.061 0.016 18099 1940 1 3 . 1 1 92 92 PHE H H 69 9.006 9.006 7.373 1.633 18099 1941 1 3 . 1 1 93 93 LYS N N 70 119.385 119.385 122.114 -2.729 18099 1942 1 3 . 1 1 93 93 LYS C C 70 175.982 175.982 177.848 -1.866 18099 1943 1 3 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.898 0.570 18099 1944 1 3 . 1 1 93 93 LYS CB C 70 31.026 31.026 31.955 -0.929 18099 1945 1 3 . 1 1 93 93 LYS H H 70 7.693 7.693 8.000 -0.307 18099 1946 1 3 . 1 1 94 94 GLU N N 71 120.406 120.406 119.969 0.437 18099 1947 1 3 . 1 1 94 94 GLU C C 71 179.007 179.007 179.091 -0.084 18099 1948 1 3 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.617 0.959 18099 1949 1 3 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.295 -1.213 18099 1950 1 3 . 1 1 94 94 GLU H H 71 8.549 8.549 8.751 -0.202 18099 1951 1 3 . 1 1 95 95 ARG N N 72 119.677 119.677 119.633 0.044 18099 1952 1 3 . 1 1 95 95 ARG C C 72 178.112 178.112 179.026 -0.914 18099 1953 1 3 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.183 -2.696 18099 1954 1 3 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.301 -1.594 18099 1955 1 3 . 1 1 95 95 ARG H H 72 7.495 7.495 7.432 0.063 18099 1956 1 3 . 1 1 96 96 ILE N N 73 119.094 119.094 120.831 -1.737 18099 1957 1 3 . 1 1 96 96 ILE C C 73 177.276 177.276 177.711 -0.435 18099 1958 1 3 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.480 0.583 18099 1959 1 3 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.894 -0.665 18099 1960 1 3 . 1 1 96 96 ILE H H 73 8.535 8.535 8.657 -0.122 18099 1961 1 3 . 1 1 97 97 CYS N N 74 115.157 115.157 117.321 -2.164 18099 1962 1 3 . 1 1 97 97 CYS C C 74 174.848 174.848 176.938 -2.090 18099 1963 1 3 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.233 2.861 18099 1964 1 3 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.596 -2.029 18099 1965 1 3 . 1 1 97 97 CYS H H 74 7.235 7.235 7.829 -0.594 18099 1966 1 3 . 1 1 98 98 ARG N N 75 115.886 115.886 121.246 -5.360 18099 1967 1 3 . 1 1 98 98 ARG C C 75 178.470 178.470 178.089 0.381 18099 1968 1 3 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.410 0.089 18099 1969 1 3 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.072 -0.773 18099 1970 1 3 . 1 1 98 98 ARG H H 75 7.136 7.136 7.912 -0.776 18099 1971 1 3 . 1 1 99 99 VAL N N 76 117.198 117.198 117.530 -0.332 18099 1972 1 3 . 1 1 99 99 VAL C C 76 177.236 177.236 177.011 0.225 18099 1973 1 3 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.248 -0.261 18099 1974 1 3 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.847 -1.000 18099 1975 1 3 . 1 1 99 99 VAL H H 76 8.043 8.043 8.028 0.015 18099 1976 1 3 . 1 1 100 100 PHE N N 77 115.595 115.595 117.561 -1.966 18099 1977 1 3 . 1 1 100 100 PHE C C 77 175.007 175.007 175.883 -0.876 18099 1978 1 3 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.267 1.201 18099 1979 1 3 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.382 -1.596 18099 1980 1 3 . 1 1 100 100 PHE H H 77 7.436 7.436 7.689 -0.253 18099 1981 1 3 . 1 1 101 101 SER N N 78 112.533 112.533 113.817 -1.284 18099 1982 1 3 . 1 1 101 101 SER C C 78 177.156 177.156 174.092 3.064 18099 1983 1 3 . 1 1 101 101 SER CA C 78 58.639 58.639 58.643 -0.004 18099 1984 1 3 . 1 1 101 101 SER CB C 78 64.208 64.208 64.687 -0.479 18099 1985 1 3 . 1 1 101 101 SER H H 78 7.156 7.156 8.138 -0.982 18099 1986 1 3 . 1 1 102 102 THR N N 79 120.551 120.551 118.792 1.759 18099 1987 1 3 . 1 1 102 102 THR C C 79 175.763 175.763 173.731 2.032 18099 1988 1 3 . 1 1 102 102 THR CA C 79 61.328 61.328 61.123 0.205 18099 1989 1 3 . 1 1 102 102 THR CB C 79 68.647 68.647 69.805 -1.158 18099 1990 1 3 . 1 1 102 102 THR H H 79 9.267 9.267 8.253 1.014 18099 1991 1 3 . 1 1 103 103 SER N N 80 121.280 121.280 122.843 -1.563 18099 1992 1 3 . 1 1 103 103 SER C C 80 175.743 175.743 172.885 2.858 18099 1993 1 3 . 1 1 103 103 SER CA C 80 56.164 56.164 56.667 -0.503 18099 1994 1 3 . 1 1 103 103 SER CB C 80 63.221 63.221 64.538 -1.317 18099 1995 1 3 . 1 1 103 103 SER H H 80 8.120 8.120 8.360 -0.240 18099 1996 1 3 . 1 1 104 104 PRO C C 81 177.654 177.654 176.429 1.225 18099 1997 1 3 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.389 1.010 18099 1998 1 3 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.026 -0.644 18099 1999 1 3 . 1 1 105 105 ALA N N 82 117.927 117.927 119.786 -1.859 18099 2000 1 3 . 1 1 105 105 ALA C C 82 177.077 177.077 176.476 0.601 18099 2001 1 3 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.342 0.088 18099 2002 1 3 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.615 -1.592 18099 2003 1 3 . 1 1 105 105 ALA H H 82 7.961 7.961 8.088 -0.127 18099 2004 1 3 . 1 1 106 106 LYS N N 83 115.449 115.449 115.027 0.422 18099 2005 1 3 . 1 1 106 106 LYS C C 83 175.206 175.206 175.031 0.175 18099 2006 1 3 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.803 -0.962 18099 2007 1 3 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.658 -1.198 18099 2008 1 3 . 1 1 106 106 LYS H H 83 7.984 7.984 8.008 -0.024 18099 2009 1 3 . 1 1 107 107 ASP N N 84 112.242 112.242 114.608 -2.366 18099 2010 1 3 . 1 1 107 107 ASP C C 84 175.823 175.823 175.903 -0.080 18099 2011 1 3 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.292 -2.001 18099 2012 1 3 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.916 -0.320 18099 2013 1 3 . 1 1 107 107 ASP H H 84 7.670 7.670 8.140 -0.470 18099 2014 1 3 . 1 1 108 108 SER N N 85 113.554 113.554 113.134 0.420 18099 2015 1 3 . 1 1 108 108 SER C C 85 172.897 172.897 172.954 -0.057 18099 2016 1 3 . 1 1 108 108 SER CA C 85 57.132 57.132 57.244 -0.112 18099 2017 1 3 . 1 1 108 108 SER CB C 85 65.347 65.347 66.141 -0.794 18099 2018 1 3 . 1 1 108 108 SER H H 85 7.271 7.271 7.396 -0.125 18099 2019 1 3 . 1 1 109 109 LEU N N 86 121.426 121.426 120.990 0.436 18099 2020 1 3 . 1 1 109 109 LEU C C 86 176.400 176.400 175.914 0.486 18099 2021 1 3 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.014 0.536 18099 2022 1 3 . 1 1 109 109 LEU CB C 86 44.020 44.020 45.643 -1.623 18099 2023 1 3 . 1 1 109 109 LEU H H 86 9.179 9.179 8.053 1.126 18099 2024 1 3 . 1 1 110 110 SER N N 87 117.927 117.927 117.486 0.441 18099 2025 1 3 . 1 1 110 110 SER C C 87 174.808 174.808 175.528 -0.720 18099 2026 1 3 . 1 1 110 110 SER CA C 87 56.056 56.056 56.173 -0.117 18099 2027 1 3 . 1 1 110 110 SER CB C 87 65.644 65.644 64.767 0.877 18099 2028 1 3 . 1 1 110 110 SER H H 87 8.305 8.305 8.915 -0.610 18099 2029 1 3 . 1 1 111 111 PHE N N 88 122.592 122.592 124.723 -2.131 18099 2030 1 3 . 1 1 111 111 PHE C C 88 176.798 176.798 176.719 0.079 18099 2031 1 3 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.822 1.646 18099 2032 1 3 . 1 1 111 111 PHE CB C 88 37.160 37.160 37.982 -0.822 18099 2033 1 3 . 1 1 111 111 PHE H H 88 9.850 9.850 8.963 0.887 18099 2034 1 3 . 1 1 112 112 GLU N N 89 117.782 117.782 120.551 -2.769 18099 2035 1 3 . 1 1 112 112 GLU C C 89 178.490 178.490 178.488 0.002 18099 2036 1 3 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.394 0.751 18099 2037 1 3 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.552 -0.504 18099 2038 1 3 . 1 1 112 112 GLU H H 89 8.233 8.233 6.997 1.236 18099 2039 1 3 . 1 1 113 113 ASP N N 90 121.572 121.572 120.015 1.557 18099 2040 1 3 . 1 1 113 113 ASP C C 90 177.714 177.714 178.882 -1.168 18099 2041 1 3 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.267 -0.242 18099 2042 1 3 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.570 1.129 18099 2043 1 3 . 1 1 113 113 ASP H H 90 7.691 7.691 8.129 -0.438 18099 2044 1 3 . 1 1 114 114 PHE N N 91 121.135 121.135 120.607 0.528 18099 2045 1 3 . 1 1 114 114 PHE C C 91 176.460 176.460 177.230 -0.770 18099 2046 1 3 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.367 -1.330 18099 2047 1 3 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.272 -0.071 18099 2048 1 3 . 1 1 114 114 PHE H H 91 8.214 8.214 7.851 0.363 18099 2049 1 3 . 1 1 115 115 LEU N N 92 118.365 118.365 120.237 -1.872 18099 2050 1 3 . 1 1 115 115 LEU C C 92 179.187 179.187 178.291 0.896 18099 2051 1 3 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.868 -0.736 18099 2052 1 3 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.716 -1.440 18099 2053 1 3 . 1 1 115 115 LEU H H 92 8.189 8.189 8.051 0.138 18099 2054 1 3 . 1 1 116 116 ASP N N 93 120.843 120.843 120.302 0.541 18099 2055 1 3 . 1 1 116 116 ASP C C 93 177.336 177.336 178.851 -1.515 18099 2056 1 3 . 1 1 116 116 ASP CA C 93 57.240 57.240 58.159 -0.919 18099 2057 1 3 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.839 -0.975 18099 2058 1 3 . 1 1 116 116 ASP H H 93 7.640 7.640 8.183 -0.543 18099 2059 1 3 . 1 1 117 117 LEU N N 94 122.447 122.447 120.911 1.536 18099 2060 1 3 . 1 1 117 117 LEU C C 94 177.853 177.853 178.358 -0.505 18099 2061 1 3 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.621 -0.058 18099 2062 1 3 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.297 -0.627 18099 2063 1 3 . 1 1 117 117 LEU H H 94 7.480 7.480 7.472 0.008 18099 2064 1 3 . 1 1 118 118 LEU N N 95 116.907 116.907 119.625 -2.718 18099 2065 1 3 . 1 1 118 118 LEU C C 95 180.923 180.923 178.882 2.041 18099 2066 1 3 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.857 -0.617 18099 2067 1 3 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.306 -0.978 18099 2068 1 3 . 1 1 118 118 LEU H H 95 7.892 7.892 7.488 0.404 18099 2069 1 3 . 1 1 119 119 SER N N 96 116.032 116.032 114.528 1.504 18099 2070 1 3 . 1 1 119 119 SER C C 96 176.343 176.343 176.973 -0.630 18099 2071 1 3 . 1 1 119 119 SER H H 96 8.410 8.410 7.993 0.417 18099 2072 1 3 . 1 1 120 120 VAL N N 97 119.385 119.385 121.441 -2.056 18099 2073 1 3 . 1 1 120 120 VAL C C 97 176.280 176.280 177.640 -1.360 18099 2074 1 3 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.361 -1.335 18099 2075 1 3 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.756 -1.705 18099 2076 1 3 . 1 1 120 120 VAL H H 97 7.255 7.255 8.107 -0.852 18099 2077 1 3 . 1 1 121 121 PHE N N 98 116.761 116.761 116.061 0.700 18099 2078 1 3 . 1 1 121 121 PHE C C 98 176.206 176.206 175.863 0.343 18099 2079 1 3 . 1 1 121 121 PHE CA C 98 60.197 60.197 58.657 1.540 18099 2080 1 3 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.228 -0.334 18099 2081 1 3 . 1 1 121 121 PHE H H 98 7.151 7.151 8.314 -1.163 18099 2082 1 3 . 1 1 122 122 SER N N 99 115.449 115.449 115.043 0.406 18099 2083 1 3 . 1 1 122 122 SER C C 99 177.006 177.006 175.137 1.869 18099 2084 1 3 . 1 1 122 122 SER CA C 99 58.486 58.486 60.380 -1.894 18099 2085 1 3 . 1 1 122 122 SER CB C 99 63.834 63.834 64.248 -0.414 18099 2086 1 3 . 1 1 122 122 SER H H 99 7.270 7.270 7.606 -0.336 18099 2087 1 3 . 1 1 123 123 ASP C C 100 177.042 177.042 177.319 -0.277 18099 2088 1 3 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.150 1.029 18099 2089 1 3 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.516 -2.280 18099 2090 1 3 . 1 1 124 124 THR N N 101 111.076 111.076 116.556 -5.480 18099 2091 1 3 . 1 1 124 124 THR C C 101 174.909 174.909 174.891 0.018 18099 2092 1 3 . 1 1 124 124 THR CA C 101 62.052 62.052 64.499 -2.447 18099 2093 1 3 . 1 1 124 124 THR CB C 101 68.486 68.486 68.961 -0.475 18099 2094 1 3 . 1 1 124 124 THR H H 101 8.147 8.147 7.949 0.198 18099 2095 1 3 . 1 1 125 125 ALA N N 102 124.196 124.196 124.704 -0.508 18099 2096 1 3 . 1 1 125 125 ALA C C 102 176.760 176.760 176.768 -0.008 18099 2097 1 3 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.097 -0.594 18099 2098 1 3 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.956 0.336 18099 2099 1 3 . 1 1 125 125 ALA H H 102 6.801 6.801 7.417 -0.616 18099 2100 1 3 . 1 1 126 126 THR N N 103 111.513 111.513 116.822 -5.309 18099 2101 1 3 . 1 1 126 126 THR C C 103 173.925 173.925 174.395 -0.470 18099 2102 1 3 . 1 1 126 126 THR CA C 103 59.311 59.311 59.230 0.082 18099 2103 1 3 . 1 1 126 126 THR CB C 103 67.581 67.581 68.817 -1.236 18099 2104 1 3 . 1 1 126 126 THR H H 103 6.254 6.254 7.656 -1.402 18099 2105 1 3 . 1 1 127 127 PRO C C 104 178.402 178.402 178.409 -0.007 18099 2106 1 3 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.291 -1.157 18099 2107 1 3 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.647 -1.098 18099 2108 1 3 . 1 1 128 128 ASP N N 105 116.469 116.469 116.484 -0.015 18099 2109 1 3 . 1 1 128 128 ASP C C 105 178.059 178.059 178.519 -0.460 18099 2110 1 3 . 1 1 128 128 ASP CA C 105 56.868 56.868 56.971 -0.103 18099 2111 1 3 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.366 -1.020 18099 2112 1 3 . 1 1 128 128 ASP H H 105 8.341 8.341 8.532 -0.191 18099 2113 1 3 . 1 1 129 129 ILE N N 106 122.738 122.738 119.711 3.027 18099 2114 1 3 . 1 1 129 129 ILE C C 106 178.111 178.111 178.209 -0.098 18099 2115 1 3 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.452 0.798 18099 2116 1 3 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.629 0.120 18099 2117 1 3 . 1 1 129 129 ILE H H 106 7.443 7.443 7.535 -0.092 18099 2118 1 3 . 1 1 130 130 LYS N N 107 119.677 119.677 121.396 -1.719 18099 2119 1 3 . 1 1 130 130 LYS C C 107 178.667 178.667 178.805 -0.138 18099 2120 1 3 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.842 -0.789 18099 2121 1 3 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.651 0.409 18099 2122 1 3 . 1 1 130 130 LYS H H 107 7.599 7.599 8.844 -1.245 18099 2123 1 3 . 1 1 131 131 SER N N 108 113.117 113.117 115.244 -2.127 18099 2124 1 3 . 1 1 131 131 SER C C 108 175.513 175.513 176.925 -1.412 18099 2125 1 3 . 1 1 131 131 SER CA C 108 61.857 61.857 62.028 -0.171 18099 2126 1 3 . 1 1 131 131 SER CB C 108 63.068 63.068 62.565 0.503 18099 2127 1 3 . 1 1 131 131 SER H H 108 8.470 8.470 8.100 0.370 18099 2128 1 3 . 1 1 132 132 HIS N N 109 123.175 123.175 123.050 0.125 18099 2129 1 3 . 1 1 132 132 HIS C C 109 178.143 178.143 177.719 0.424 18099 2130 1 3 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.179 -0.907 18099 2131 1 3 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.054 -0.174 18099 2132 1 3 . 1 1 132 132 HIS H H 109 7.991 7.991 7.747 0.244 18099 2133 1 3 . 1 1 133 133 TYR N N 110 115.595 115.595 118.240 -2.645 18099 2134 1 3 . 1 1 133 133 TYR C C 110 177.946 177.946 177.914 0.032 18099 2135 1 3 . 1 1 133 133 TYR CA C 110 63.475 63.475 60.842 2.633 18099 2136 1 3 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.862 -0.105 18099 2137 1 3 . 1 1 133 133 TYR H H 110 8.060 8.060 8.707 -0.647 18099 2138 1 3 . 1 1 134 134 ALA N N 111 122.009 122.009 122.739 -0.730 18099 2139 1 3 . 1 1 134 134 ALA C C 111 175.937 175.937 179.175 -3.238 18099 2140 1 3 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.138 0.056 18099 2141 1 3 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.897 -0.099 18099 2142 1 3 . 1 1 134 134 ALA H H 111 8.293 8.293 8.669 -0.376 18099 2143 1 3 . 1 1 135 135 PHE N N 112 116.615 116.615 119.895 -3.280 18099 2144 1 3 . 1 1 135 135 PHE C C 112 175.710 175.710 177.436 -1.726 18099 2145 1 3 . 1 1 135 135 PHE CA C 112 61.706 61.706 61.009 0.697 18099 2146 1 3 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.651 -0.511 18099 2147 1 3 . 1 1 135 135 PHE H H 112 7.589 7.589 7.786 -0.197 18099 2148 1 3 . 1 1 136 136 ARG N N 113 113.262 113.262 118.798 -5.536 18099 2149 1 3 . 1 1 136 136 ARG C C 113 179.471 179.471 178.466 1.005 18099 2150 1 3 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.211 -1.015 18099 2151 1 3 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.241 -1.267 18099 2152 1 3 . 1 1 136 136 ARG H H 113 7.090 7.090 7.431 -0.341 18099 2153 1 3 . 1 1 137 137 ILE N N 114 120.843 120.843 119.295 1.548 18099 2154 1 3 . 1 1 137 137 ILE C C 114 176.198 176.198 177.717 -1.519 18099 2155 1 3 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.709 -0.287 18099 2156 1 3 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.324 -2.636 18099 2157 1 3 . 1 1 137 137 ILE H H 114 7.703 7.703 8.074 -0.371 18099 2158 1 3 . 1 1 138 138 PHE N N 115 117.636 117.636 116.815 0.821 18099 2159 1 3 . 1 1 138 138 PHE C C 115 173.157 173.157 176.120 -2.963 18099 2160 1 3 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.791 -5.320 18099 2161 1 3 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.852 -2.925 18099 2162 1 3 . 1 1 138 138 PHE H H 115 7.185 7.185 8.572 -1.387 18099 2163 1 3 . 1 1 139 139 ASP N N 116 118.365 118.365 119.658 -1.293 18099 2164 1 3 . 1 1 139 139 ASP C C 116 176.437 176.437 177.695 -1.258 18099 2165 1 3 . 1 1 139 139 ASP CA C 116 50.861 50.861 54.069 -3.208 18099 2166 1 3 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.940 -2.925 18099 2167 1 3 . 1 1 139 139 ASP H H 116 6.856 6.856 7.377 -0.521 18099 2168 1 3 . 1 1 140 140 PHE N N 117 121.864 121.864 128.120 -6.256 18099 2169 1 3 . 1 1 140 140 PHE C C 117 176.620 176.620 175.021 1.599 18099 2170 1 3 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.245 1.165 18099 2171 1 3 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.245 0.009 18099 2172 1 3 . 1 1 140 140 PHE H H 117 7.462 7.462 7.979 -0.517 18099 2173 1 3 . 1 1 141 141 ASP N N 118 114.866 114.866 114.782 0.084 18099 2174 1 3 . 1 1 141 141 ASP C C 118 176.206 176.206 176.074 0.132 18099 2175 1 3 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.424 -2.890 18099 2176 1 3 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.158 -0.946 18099 2177 1 3 . 1 1 141 141 ASP H H 118 8.048 8.048 8.224 -0.176 18099 2178 1 3 . 1 1 142 142 ASP N N 119 116.761 116.761 116.258 0.503 18099 2179 1 3 . 1 1 142 142 ASP C C 119 175.386 175.386 176.104 -0.718 18099 2180 1 3 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.646 0.718 18099 2181 1 3 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.472 0.603 18099 2182 1 3 . 1 1 142 142 ASP H H 119 8.144 8.144 7.947 0.197 18099 2183 1 3 . 1 1 143 143 ASP N N 120 119.094 119.094 117.377 1.717 18099 2184 1 3 . 1 1 143 143 ASP C C 120 178.404 178.404 177.344 1.060 18099 2185 1 3 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.916 -0.983 18099 2186 1 3 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.687 -0.759 18099 2187 1 3 . 1 1 143 143 ASP H H 120 8.124 8.124 8.576 -0.452 18099 2188 1 3 . 1 1 144 144 GLY N N 121 115.303 115.303 107.851 7.452 18099 2189 1 3 . 1 1 144 144 GLY C C 121 173.571 173.571 174.270 -0.699 18099 2190 1 3 . 1 1 144 144 GLY CA C 121 45.172 45.172 44.966 0.206 18099 2191 1 3 . 1 1 144 144 GLY H H 121 10.971 10.971 8.811 2.160 18099 2192 1 3 . 1 1 145 145 THR N N 122 110.930 110.930 118.957 -8.027 18099 2193 1 3 . 1 1 145 145 THR C C 122 173.029 173.029 173.539 -0.510 18099 2194 1 3 . 1 1 145 145 THR CA C 122 59.944 59.944 63.179 -3.235 18099 2195 1 3 . 1 1 145 145 THR CB C 122 72.345 72.345 70.429 1.916 18099 2196 1 3 . 1 1 145 145 THR H H 122 7.728 7.728 8.062 -0.334 18099 2197 1 3 . 1 1 146 146 LEU N N 123 125.508 125.508 121.789 3.719 18099 2198 1 3 . 1 1 146 146 LEU C C 123 175.815 175.815 175.551 0.264 18099 2199 1 3 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.318 0.055 18099 2200 1 3 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.863 -5.958 18099 2201 1 3 . 1 1 146 146 LEU H H 123 9.627 9.627 8.061 1.566 18099 2202 1 3 . 1 1 147 147 ASN N N 124 123.904 123.904 120.174 3.730 18099 2203 1 3 . 1 1 147 147 ASN CA C 124 49.532 49.532 50.798 -1.266 18099 2204 1 3 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.336 -1.021 18099 2205 1 3 . 1 1 147 147 ASN H H 124 8.700 8.700 8.479 0.221 18099 2206 1 3 . 1 1 148 148 ARG C C 125 178.331 178.331 178.427 -0.096 18099 2207 1 3 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.880 0.021 18099 2208 1 3 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.046 -0.778 18099 2209 1 3 . 1 1 149 149 GLU N N 126 120.114 120.114 119.530 0.584 18099 2210 1 3 . 1 1 149 149 GLU C C 126 179.537 179.537 179.367 0.170 18099 2211 1 3 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.410 -0.119 18099 2212 1 3 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.252 -1.258 18099 2213 1 3 . 1 1 149 149 GLU H H 126 7.679 7.679 8.599 -0.920 18099 2214 1 3 . 1 1 150 150 ASP N N 127 122.009 122.009 121.044 0.965 18099 2215 1 3 . 1 1 150 150 ASP C C 127 180.544 180.544 178.581 1.963 18099 2216 1 3 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.221 0.881 18099 2217 1 3 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.334 0.244 18099 2218 1 3 . 1 1 150 150 ASP H H 127 8.242 8.242 9.175 -0.933 18099 2219 1 3 . 1 1 151 151 LEU C C 128 178.251 178.251 179.008 -0.757 18099 2220 1 3 . 1 1 151 151 LEU CA C 128 57.114 57.114 58.066 -0.952 18099 2221 1 3 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.899 -0.751 18099 2222 1 3 . 1 1 152 152 SER N N 129 116.324 116.324 114.625 1.699 18099 2223 1 3 . 1 1 152 152 SER C C 129 176.599 176.599 177.366 -0.767 18099 2224 1 3 . 1 1 152 152 SER CA C 129 61.113 61.113 61.609 -0.496 18099 2225 1 3 . 1 1 152 152 SER CB C 129 62.531 62.531 62.541 -0.010 18099 2226 1 3 . 1 1 152 152 SER H H 129 8.293 8.293 8.438 -0.145 18099 2227 1 3 . 1 1 153 153 ARG N N 130 122.155 122.155 121.743 0.412 18099 2228 1 3 . 1 1 153 153 ARG C C 130 179.087 179.087 178.453 0.634 18099 2229 1 3 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.732 0.229 18099 2230 1 3 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.142 -2.391 18099 2231 1 3 . 1 1 153 153 ARG H H 130 7.590 7.590 7.513 0.077 18099 2232 1 3 . 1 1 154 154 LEU N N 131 122.447 122.447 121.828 0.619 18099 2233 1 3 . 1 1 154 154 LEU C C 131 178.570 178.570 178.489 0.081 18099 2234 1 3 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.360 0.494 18099 2235 1 3 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.266 -0.605 18099 2236 1 3 . 1 1 154 154 LEU H H 131 8.307 8.307 7.690 0.617 18099 2237 1 3 . 1 1 155 155 VAL N N 132 118.802 118.802 114.823 3.979 18099 2238 1 3 . 1 1 155 155 VAL C C 132 178.948 178.948 177.356 1.592 18099 2239 1 3 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.388 0.105 18099 2240 1 3 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.731 -1.038 18099 2241 1 3 . 1 1 155 155 VAL H H 132 8.438 8.438 8.618 -0.180 18099 2242 1 3 . 1 1 156 156 ASN N N 133 119.677 119.677 119.537 0.140 18099 2243 1 3 . 1 1 156 156 ASN C C 133 177.953 177.953 177.458 0.495 18099 2244 1 3 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.833 0.116 18099 2245 1 3 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.111 -0.228 18099 2246 1 3 . 1 1 156 156 ASN H H 133 8.057 8.057 7.686 0.371 18099 2247 1 3 . 1 1 157 157 CYS N N 134 118.219 118.219 119.185 -0.966 18099 2248 1 3 . 1 1 157 157 CYS C C 134 176.122 176.122 177.414 -1.292 18099 2249 1 3 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.083 -1.894 18099 2250 1 3 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.541 -0.612 18099 2251 1 3 . 1 1 157 157 CYS H H 134 7.851 7.851 8.017 -0.166 18099 2252 1 3 . 1 1 158 158 LEU N N 135 117.782 117.782 118.800 -1.018 18099 2253 1 3 . 1 1 158 158 LEU C C 135 178.231 178.231 179.161 -0.930 18099 2254 1 3 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.365 -1.201 18099 2255 1 3 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.612 -0.300 18099 2256 1 3 . 1 1 158 158 LEU H H 135 7.691 7.691 7.880 -0.189 18099 2257 1 3 . 1 1 159 159 THR N N 136 109.763 109.763 113.708 -3.945 18099 2258 1 3 . 1 1 159 159 THR C C 136 175.724 175.724 175.298 0.426 18099 2259 1 3 . 1 1 159 159 THR CA C 136 62.297 62.297 65.485 -3.188 18099 2260 1 3 . 1 1 159 159 THR CB C 136 69.800 69.800 69.237 0.563 18099 2261 1 3 . 1 1 159 159 THR H H 136 7.785 7.785 7.880 -0.095 18099 2262 1 3 . 1 1 160 160 GLY N N 137 110.638 110.638 108.390 2.248 18099 2263 1 3 . 1 1 160 160 GLY C C 137 174.231 174.231 172.415 1.816 18099 2264 1 3 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.748 0.442 18099 2265 1 3 . 1 1 160 160 GLY H H 137 7.797 7.797 7.873 -0.076 18099 2266 1 3 . 1 1 161 161 GLU N N 138 120.260 120.260 124.062 -3.802 18099 2267 1 3 . 1 1 161 161 GLU C C 138 177.043 177.043 177.760 -0.717 18099 2268 1 3 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.835 -1.348 18099 2269 1 3 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.205 -0.489 18099 2270 1 3 . 1 1 161 161 GLU H H 138 8.239 8.239 7.790 0.449 18099 2271 1 3 . 1 1 162 162 GLY N N 139 109.909 109.909 112.211 -2.302 18099 2272 1 3 . 1 1 162 162 GLY C C 139 174.400 174.400 173.371 1.029 18099 2273 1 3 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.875 0.130 18099 2274 1 3 . 1 1 162 162 GLY H H 139 8.221 8.221 8.869 -0.648 18099 2275 1 3 . 1 1 164 164 ASP C C 141 176.480 176.480 176.687 -0.207 18099 2276 1 3 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.872 -0.232 18099 2277 1 3 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.107 -0.723 18099 2278 1 3 . 1 1 165 165 THR N N 142 112.242 112.242 113.260 -1.018 18099 2279 1 3 . 1 1 165 165 THR C C 142 174.251 174.251 174.820 -0.569 18099 2280 1 3 . 1 1 165 165 THR CA C 142 61.436 61.436 62.325 -0.889 18099 2281 1 3 . 1 1 165 165 THR CB C 142 69.364 69.364 69.296 0.068 18099 2282 1 3 . 1 1 165 165 THR H H 142 7.585 7.585 7.732 -0.147 18099 2283 1 3 . 1 1 166 166 ARG N N 143 123.467 123.467 119.964 3.503 18099 2284 1 3 . 1 1 166 166 ARG C C 143 176.360 176.360 175.388 0.972 18099 2285 1 3 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.111 -1.377 18099 2286 1 3 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.785 1.148 18099 2287 1 3 . 1 1 166 166 ARG H H 143 7.833 7.833 8.449 -0.616 18099 2288 1 3 . 1 1 167 167 LEU N N 144 124.342 124.342 122.975 1.367 18099 2289 1 3 . 1 1 167 167 LEU C C 144 177.614 177.614 175.700 1.914 18099 2290 1 3 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.202 1.133 18099 2291 1 3 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.634 -3.116 18099 2292 1 3 . 1 1 167 167 LEU H H 144 8.377 8.377 8.172 0.205 18099 2293 1 3 . 1 1 168 168 SER N N 145 119.385 119.385 117.268 2.117 18099 2294 1 3 . 1 1 168 168 SER C C 145 174.748 174.748 173.613 1.135 18099 2295 1 3 . 1 1 168 168 SER CA C 145 57.132 57.132 59.480 -2.348 18099 2296 1 3 . 1 1 168 168 SER CB C 145 64.882 64.882 63.697 1.185 18099 2297 1 3 . 1 1 168 168 SER H H 145 8.935 8.935 8.373 0.562 18099 2298 1 3 . 1 1 170 170 SER C C 147 177.296 177.296 176.166 1.130 18099 2299 1 3 . 1 1 170 170 SER CA C 147 60.665 60.665 61.086 -0.421 18099 2300 1 3 . 1 1 170 170 SER CB C 147 62.108 62.108 62.433 -0.325 18099 2301 1 3 . 1 1 171 171 GLU N N 148 124.488 124.488 120.997 3.491 18099 2302 1 3 . 1 1 171 171 GLU C C 148 179.525 179.525 178.714 0.811 18099 2303 1 3 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.870 -0.231 18099 2304 1 3 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.954 0.653 18099 2305 1 3 . 1 1 171 171 GLU H H 148 7.645 7.645 8.467 -0.822 18099 2306 1 3 . 1 1 172 172 MET N N 149 120.260 120.260 119.765 0.495 18099 2307 1 3 . 1 1 172 172 MET C C 149 177.117 177.117 177.818 -0.701 18099 2308 1 3 . 1 1 172 172 MET CA C 149 58.501 58.501 57.025 1.476 18099 2309 1 3 . 1 1 172 172 MET CB C 149 31.418 31.418 32.225 -0.807 18099 2310 1 3 . 1 1 172 172 MET H H 149 8.630 8.630 7.880 0.750 18099 2311 1 3 . 1 1 173 173 LYS N N 150 119.239 119.239 119.967 -0.728 18099 2312 1 3 . 1 1 173 173 LYS C C 150 178.012 178.012 178.804 -0.792 18099 2313 1 3 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.729 -0.122 18099 2314 1 3 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.327 -0.949 18099 2315 1 3 . 1 1 173 173 LYS H H 150 7.733 7.733 7.831 -0.098 18099 2316 1 3 . 1 1 174 174 GLN N N 151 116.907 116.907 117.044 -0.137 18099 2317 1 3 . 1 1 174 174 GLN C C 151 178.172 178.172 178.642 -0.470 18099 2318 1 3 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.516 0.800 18099 2319 1 3 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.337 -0.230 18099 2320 1 3 . 1 1 174 174 GLN H H 151 7.513 7.513 7.721 -0.208 18099 2321 1 3 . 1 1 175 175 LEU N N 152 120.989 120.989 122.811 -1.822 18099 2322 1 3 . 1 1 175 175 LEU C C 152 179.226 179.226 178.587 0.639 18099 2323 1 3 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.154 -0.004 18099 2324 1 3 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.713 -0.720 18099 2325 1 3 . 1 1 175 175 LEU H H 152 7.819 7.819 7.644 0.175 18099 2326 1 3 . 1 1 176 176 ILE N N 153 119.823 119.823 118.667 1.156 18099 2327 1 3 . 1 1 176 176 ILE C C 153 177.893 177.893 178.432 -0.539 18099 2328 1 3 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.822 1.487 18099 2329 1 3 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.211 0.655 18099 2330 1 3 . 1 1 176 176 ILE H H 153 8.210 8.210 7.687 0.523 18099 2331 1 3 . 1 1 177 177 ASP N N 154 120.114 120.114 120.843 -0.729 18099 2332 1 3 . 1 1 177 177 ASP C C 154 179.605 179.605 178.962 0.643 18099 2333 1 3 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.582 -0.129 18099 2334 1 3 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.948 -0.999 18099 2335 1 3 . 1 1 177 177 ASP H H 154 8.581 8.581 8.024 0.557 18099 2336 1 3 . 1 1 178 178 ASN N N 155 120.114 120.114 118.407 1.707 18099 2337 1 3 . 1 1 178 178 ASN C C 155 177.813 177.813 177.961 -0.148 18099 2338 1 3 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.866 0.298 18099 2339 1 3 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.336 -0.268 18099 2340 1 3 . 1 1 178 178 ASN H H 155 8.150 8.150 8.029 0.121 18099 2341 1 3 . 1 1 179 179 ILE N N 156 122.301 122.301 121.438 0.863 18099 2342 1 3 . 1 1 179 179 ILE C C 156 180.182 180.182 178.061 2.121 18099 2343 1 3 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.700 -0.498 18099 2344 1 3 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.032 -0.516 18099 2345 1 3 . 1 1 179 179 ILE H H 156 8.360 8.360 7.767 0.593 18099 2346 1 3 . 1 1 180 180 LEU N N 157 121.864 121.864 120.393 1.471 18099 2347 1 3 . 1 1 180 180 LEU C C 157 178.859 178.859 179.312 -0.453 18099 2348 1 3 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.239 -0.138 18099 2349 1 3 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.571 -1.438 18099 2350 1 3 . 1 1 180 180 LEU H H 157 8.283 8.283 8.384 -0.101 18099 2351 1 3 . 1 1 181 181 GLU N N 158 120.843 120.843 119.125 1.718 18099 2352 1 3 . 1 1 181 181 GLU C C 158 179.062 179.062 179.328 -0.266 18099 2353 1 3 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.314 -0.130 18099 2354 1 3 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.644 -0.957 18099 2355 1 3 . 1 1 181 181 GLU H H 158 8.465 8.465 8.249 0.216 18099 2356 1 3 . 1 1 182 182 GLU N N 159 114.574 114.574 117.725 -3.151 18099 2357 1 3 . 1 1 182 182 GLU C C 159 178.090 178.090 177.749 0.341 18099 2358 1 3 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.397 -0.853 18099 2359 1 3 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.735 0.380 18099 2360 1 3 . 1 1 182 182 GLU H H 159 7.651 7.651 8.208 -0.557 18099 2361 1 3 . 1 1 183 183 SER N N 160 110.492 110.492 113.158 -2.666 18099 2362 1 3 . 1 1 183 183 SER C C 160 174.309 174.309 174.327 -0.018 18099 2363 1 3 . 1 1 183 183 SER CA C 160 59.252 59.252 59.994 -0.742 18099 2364 1 3 . 1 1 183 183 SER CB C 160 65.311 65.311 64.289 1.022 18099 2365 1 3 . 1 1 183 183 SER H H 160 7.670 7.670 8.063 -0.393 18099 2366 1 3 . 1 1 184 184 ASP N N 161 120.551 120.551 120.305 0.246 18099 2367 1 3 . 1 1 184 184 ASP C C 161 177.190 177.190 176.121 1.069 18099 2368 1 3 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.304 -1.887 18099 2369 1 3 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.770 -2.815 18099 2370 1 3 . 1 1 184 184 ASP H H 161 8.437 8.437 7.976 0.461 18099 2371 1 3 . 1 1 185 185 ILE N N 162 126.820 126.820 122.073 4.747 18099 2372 1 3 . 1 1 185 185 ILE C C 162 177.878 177.878 175.632 2.246 18099 2373 1 3 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.186 0.370 18099 2374 1 3 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.916 -1.817 18099 2375 1 3 . 1 1 185 185 ILE H H 162 7.588 7.588 8.256 -0.668 18099 2376 1 3 . 1 1 186 186 ASP N N 163 116.615 116.615 118.230 -1.615 18099 2377 1 3 . 1 1 186 186 ASP C C 163 176.171 176.171 176.503 -0.332 18099 2378 1 3 . 1 1 186 186 ASP CA C 163 53.253 53.253 55.067 -1.814 18099 2379 1 3 . 1 1 186 186 ASP CB C 163 38.780 38.780 39.801 -1.021 18099 2380 1 3 . 1 1 186 186 ASP H H 163 8.247 8.247 8.223 0.024 18099 2381 1 3 . 1 1 187 187 ARG N N 164 115.303 115.303 115.325 -0.022 18099 2382 1 3 . 1 1 187 187 ARG C C 164 176.086 176.086 175.815 0.271 18099 2383 1 3 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.922 -0.384 18099 2384 1 3 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.467 -2.940 18099 2385 1 3 . 1 1 187 187 ARG H H 164 7.597 7.597 8.216 -0.619 18099 2386 1 3 . 1 1 188 188 ASP N N 165 120.551 120.551 117.928 2.623 18099 2387 1 3 . 1 1 188 188 ASP C C 165 177.731 177.731 177.724 0.007 18099 2388 1 3 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.266 -1.630 18099 2389 1 3 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.652 -0.341 18099 2390 1 3 . 1 1 188 188 ASP H H 165 8.603 8.603 8.285 0.318 18099 2391 1 3 . 1 1 189 189 GLY N N 166 114.283 114.283 106.726 7.557 18099 2392 1 3 . 1 1 189 189 GLY C C 166 173.220 173.220 173.588 -0.368 18099 2393 1 3 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.155 -0.224 18099 2394 1 3 . 1 1 189 189 GLY H H 166 10.434 10.434 8.750 1.684 18099 2395 1 3 . 1 1 190 190 THR N N 167 110.201 110.201 110.948 -0.747 18099 2396 1 3 . 1 1 190 190 THR C C 167 173.793 173.793 173.014 0.779 18099 2397 1 3 . 1 1 190 190 THR CA C 167 59.054 59.054 60.284 -1.230 18099 2398 1 3 . 1 1 190 190 THR CB C 167 72.483 72.483 72.280 0.203 18099 2399 1 3 . 1 1 190 190 THR H H 167 8.087 8.087 8.450 -0.363 18099 2400 1 3 . 1 1 191 191 ILE N N 168 124.779 124.779 122.411 2.368 18099 2401 1 3 . 1 1 191 191 ILE C C 168 175.685 175.685 174.970 0.715 18099 2402 1 3 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.204 -1.127 18099 2403 1 3 . 1 1 191 191 ILE CB C 168 38.406 38.406 41.049 -2.643 18099 2404 1 3 . 1 1 191 191 ILE H H 168 9.275 9.275 8.177 1.098 18099 2405 1 3 . 1 1 192 192 ASN N N 169 109.180 109.180 124.506 -15.326 18099 2406 1 3 . 1 1 192 192 ASN C C 169 175.095 175.095 175.881 -0.786 18099 2407 1 3 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.333 -0.381 18099 2408 1 3 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.831 -1.625 18099 2409 1 3 . 1 1 192 192 ASN H H 169 9.154 9.154 8.320 0.834 18099 2410 1 3 . 1 1 193 193 LEU N N 170 120.697 120.697 119.655 1.042 18099 2411 1 3 . 1 1 193 193 LEU C C 170 178.160 178.160 177.982 0.178 18099 2412 1 3 . 1 1 193 193 LEU CA C 170 58.382 58.382 57.674 0.708 18099 2413 1 3 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.254 -0.776 18099 2414 1 3 . 1 1 193 193 LEU H H 170 8.162 8.162 8.228 -0.066 18099 2415 1 3 . 1 1 194 194 SER N N 171 114.283 114.283 113.767 0.516 18099 2416 1 3 . 1 1 194 194 SER C C 171 178.124 178.124 176.707 1.417 18099 2417 1 3 . 1 1 194 194 SER CA C 171 60.901 60.901 61.228 -0.327 18099 2418 1 3 . 1 1 194 194 SER CB C 171 62.358 62.358 62.370 -0.012 18099 2419 1 3 . 1 1 194 194 SER H H 171 7.812 7.812 8.167 -0.355 18099 2420 1 3 . 1 1 195 195 GLU N N 172 124.050 124.050 121.570 2.480 18099 2421 1 3 . 1 1 195 195 GLU C C 172 179.334 179.334 178.869 0.465 18099 2422 1 3 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.821 0.021 18099 2423 1 3 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.559 -0.775 18099 2424 1 3 . 1 1 195 195 GLU H H 172 8.540 8.540 8.927 -0.387 18099 2425 1 3 . 1 1 196 196 PHE N N 173 121.864 121.864 121.159 0.705 18099 2426 1 3 . 1 1 196 196 PHE C C 173 176.340 176.340 177.160 -0.820 18099 2427 1 3 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.508 -0.336 18099 2428 1 3 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.326 0.335 18099 2429 1 3 . 1 1 196 196 PHE H H 173 8.738 8.738 8.405 0.333 18099 2430 1 3 . 1 1 197 197 GLN N N 174 117.198 117.198 118.660 -1.462 18099 2431 1 3 . 1 1 197 197 GLN C C 174 178.868 178.868 177.935 0.933 18099 2432 1 3 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.315 -0.246 18099 2433 1 3 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.619 -1.099 18099 2434 1 3 . 1 1 197 197 GLN H H 174 8.912 8.912 8.122 0.790 18099 2435 1 3 . 1 1 198 198 HIS N N 175 120.697 120.697 118.477 2.220 18099 2436 1 3 . 1 1 198 198 HIS C C 175 177.236 177.236 178.271 -1.035 18099 2437 1 3 . 1 1 198 198 HIS CA C 175 59.715 59.715 57.685 2.030 18099 2438 1 3 . 1 1 198 198 HIS CB C 175 29.579 29.579 30.162 -0.583 18099 2439 1 3 . 1 1 198 198 HIS H H 175 8.165 8.165 7.432 0.733 18099 2440 1 3 . 1 1 199 199 VAL N N 176 117.927 117.927 119.836 -1.909 18099 2441 1 3 . 1 1 199 199 VAL C C 176 178.749 178.749 178.441 0.308 18099 2442 1 3 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.254 -0.622 18099 2443 1 3 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.439 -0.823 18099 2444 1 3 . 1 1 199 199 VAL H H 176 7.654 7.654 8.230 -0.576 18099 2445 1 3 . 1 1 200 200 ILE N N 177 117.636 117.636 117.929 -0.293 18099 2446 1 3 . 1 1 200 200 ILE C C 177 178.331 178.331 176.565 1.766 18099 2447 1 3 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.965 -1.453 18099 2448 1 3 . 1 1 200 200 ILE CB C 177 35.259 35.259 36.985 -1.726 18099 2449 1 3 . 1 1 200 200 ILE H H 177 7.540 7.540 7.833 -0.293 18099 2450 1 3 . 1 1 201 201 SER C C 178 174.450 174.450 175.016 -0.566 18099 2451 1 3 . 1 1 201 201 SER CA C 178 60.450 60.450 57.971 2.479 18099 2452 1 3 . 1 1 201 201 SER CB C 178 62.849 62.849 62.967 -0.118 18099 2453 1 3 . 1 1 202 202 ARG N N 179 118.073 118.073 122.028 -3.955 18099 2454 1 3 . 1 1 202 202 ARG C C 179 176.778 176.778 175.589 1.189 18099 2455 1 3 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.893 -1.697 18099 2456 1 3 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.538 -2.248 18099 2457 1 3 . 1 1 202 202 ARG H H 179 6.975 6.975 7.622 -0.647 18099 2458 1 3 . 1 1 203 203 SER N N 180 117.927 117.927 113.519 4.408 18099 2459 1 3 . 1 1 203 203 SER CA C 180 55.949 55.949 56.233 -0.284 18099 2460 1 3 . 1 1 203 203 SER CB C 180 63.786 63.786 65.196 -1.410 18099 2461 1 3 . 1 1 203 203 SER H H 180 7.391 7.391 7.616 -0.225 18099 2462 1 3 . 1 1 206 206 PHE C C 183 176.466 176.466 177.503 -1.037 18099 2463 1 3 . 1 1 206 206 PHE CA C 183 57.576 57.576 60.042 -2.466 18099 2464 1 3 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.410 1.056 18099 2465 1 3 . 1 1 207 207 ALA N N 184 123.904 123.904 122.647 1.257 18099 2466 1 3 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.010 0.020 18099 2467 1 3 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.479 -0.289 18099 2468 1 3 . 1 1 207 207 ALA H H 184 8.032 8.032 7.551 0.481 18099 2469 1 3 . 1 1 211 211 LYS C C 188 175.805 175.805 176.272 -0.467 18099 2470 1 3 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.084 -2.934 18099 2471 1 3 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.981 -1.427 18099 2472 1 3 . 1 1 212 212 ILE N N 189 122.155 122.155 117.649 4.506 18099 2473 1 3 . 1 1 212 212 ILE C C 189 175.725 175.725 174.942 0.783 18099 2474 1 3 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.755 0.786 18099 2475 1 3 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.598 -0.659 18099 2476 1 3 . 1 1 212 212 ILE H H 189 7.940 7.940 8.179 -0.239 18099 2477 1 3 . 1 1 213 213 VAL N N 190 125.945 125.945 126.876 -0.931 18099 2478 1 3 . 1 1 213 213 VAL C C 190 174.938 174.938 174.831 0.107 18099 2479 1 3 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.724 0.146 18099 2480 1 3 . 1 1 213 213 VAL CB C 190 31.892 31.892 34.529 -2.637 18099 2481 1 3 . 1 1 213 213 VAL H H 190 8.076 8.076 8.392 -0.316 18099 2482 1 4 . 1 1 32 32 SER N N 9 117.053 117.053 119.530 -2.477 18099 2483 1 4 . 1 1 32 32 SER C C 9 174.637 174.637 175.389 -0.752 18099 2484 1 4 . 1 1 32 32 SER CA C 9 57.078 57.078 57.337 -0.259 18099 2485 1 4 . 1 1 32 32 SER CB C 9 64.513 64.513 64.848 -0.335 18099 2486 1 4 . 1 1 32 32 SER H H 9 7.690 7.690 8.140 -0.450 18099 2487 1 4 . 1 1 33 33 LYS C C 10 178.968 178.968 178.351 0.617 18099 2488 1 4 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.684 1.367 18099 2489 1 4 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.701 -0.364 18099 2490 1 4 . 1 1 34 34 GLU N N 11 120.114 120.114 119.875 0.239 18099 2491 1 4 . 1 1 34 34 GLU C C 11 178.968 178.968 178.333 0.635 18099 2492 1 4 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.583 1.024 18099 2493 1 4 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.969 -1.002 18099 2494 1 4 . 1 1 34 34 GLU H H 11 8.720 8.720 7.506 1.214 18099 2495 1 4 . 1 1 35 35 LEU N N 12 122.738 122.738 121.305 1.433 18099 2496 1 4 . 1 1 35 35 LEU C C 12 178.749 178.749 178.987 -0.238 18099 2497 1 4 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.392 -0.367 18099 2498 1 4 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.690 -0.576 18099 2499 1 4 . 1 1 35 35 LEU H H 12 7.613 7.613 8.009 -0.396 18099 2500 1 4 . 1 1 36 36 LEU N N 13 118.510 118.510 119.371 -0.861 18099 2501 1 4 . 1 1 36 36 LEU C C 13 178.788 178.788 178.122 0.666 18099 2502 1 4 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.754 -0.084 18099 2503 1 4 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.101 -0.052 18099 2504 1 4 . 1 1 36 36 LEU H H 13 8.252 8.252 7.433 0.819 18099 2505 1 4 . 1 1 37 37 ALA N N 14 119.968 119.968 120.515 -0.547 18099 2506 1 4 . 1 1 37 37 ALA C C 14 180.023 180.023 179.443 0.580 18099 2507 1 4 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.644 -0.102 18099 2508 1 4 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.782 -0.352 18099 2509 1 4 . 1 1 37 37 ALA H H 14 7.664 7.664 7.674 -0.010 18099 2510 1 4 . 1 1 38 38 GLU N N 15 119.239 119.239 119.551 -0.312 18099 2511 1 4 . 1 1 38 38 GLU C C 15 179.326 179.326 178.339 0.987 18099 2512 1 4 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.721 -0.082 18099 2513 1 4 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.591 -1.149 18099 2514 1 4 . 1 1 38 38 GLU H H 15 7.501 7.501 7.620 -0.119 18099 2515 1 4 . 1 1 39 39 TYR N N 16 117.053 117.053 117.694 -0.641 18099 2516 1 4 . 1 1 39 39 TYR C C 16 178.868 178.868 178.205 0.663 18099 2517 1 4 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.525 -0.488 18099 2518 1 4 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.251 -0.899 18099 2519 1 4 . 1 1 39 39 TYR H H 16 8.156 8.156 7.386 0.770 18099 2520 1 4 . 1 1 40 40 GLN N N 17 121.718 121.718 119.037 2.681 18099 2521 1 4 . 1 1 40 40 GLN C C 17 176.938 176.938 177.297 -0.359 18099 2522 1 4 . 1 1 40 40 GLN CA C 17 58.531 58.531 57.912 0.619 18099 2523 1 4 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.477 0.035 18099 2524 1 4 . 1 1 40 40 GLN H H 17 8.287 8.287 7.551 0.736 18099 2525 1 4 . 1 1 41 41 ASP N N 18 117.636 117.636 120.564 -2.928 18099 2526 1 4 . 1 1 41 41 ASP C C 18 177.336 177.336 177.255 0.081 18099 2527 1 4 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.793 -1.200 18099 2528 1 4 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.992 -0.430 18099 2529 1 4 . 1 1 41 41 ASP H H 18 7.448 7.448 7.503 -0.055 18099 2530 1 4 . 1 1 42 42 LEU N N 19 117.782 117.782 119.674 -1.892 18099 2531 1 4 . 1 1 42 42 LEU C C 19 176.938 176.938 176.527 0.411 18099 2532 1 4 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.726 0.812 18099 2533 1 4 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.023 0.907 18099 2534 1 4 . 1 1 42 42 LEU H H 19 7.444 7.444 8.574 -1.130 18099 2535 1 4 . 1 1 43 43 THR N N 20 109.763 109.763 114.889 -5.126 18099 2536 1 4 . 1 1 43 43 THR C C 20 173.096 173.096 175.737 -2.641 18099 2537 1 4 . 1 1 43 43 THR CA C 20 60.145 60.145 63.114 -2.969 18099 2538 1 4 . 1 1 43 43 THR CB C 20 71.461 71.461 70.400 1.061 18099 2539 1 4 . 1 1 43 43 THR H H 20 7.348 7.348 7.963 -0.615 18099 2540 1 4 . 1 1 44 44 PHE N N 21 117.490 117.490 122.276 -4.786 18099 2541 1 4 . 1 1 44 44 PHE C C 21 175.465 175.465 175.588 -0.123 18099 2542 1 4 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.791 -1.981 18099 2543 1 4 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.058 -1.753 18099 2544 1 4 . 1 1 44 44 PHE H H 21 7.686 7.686 7.925 -0.239 18099 2545 1 4 . 1 1 45 45 LEU N N 22 120.260 120.260 120.188 0.072 18099 2546 1 4 . 1 1 45 45 LEU C C 22 177.017 177.017 177.118 -0.101 18099 2547 1 4 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.933 0.079 18099 2548 1 4 . 1 1 45 45 LEU CB C 22 43.157 43.157 40.920 2.236 18099 2549 1 4 . 1 1 45 45 LEU H H 22 7.350 7.350 7.703 -0.353 18099 2550 1 4 . 1 1 46 46 THR N N 23 111.076 111.076 118.423 -7.347 18099 2551 1 4 . 1 1 46 46 THR C C 23 176.002 176.002 174.747 1.255 18099 2552 1 4 . 1 1 46 46 THR CA C 23 60.468 60.468 62.119 -1.651 18099 2553 1 4 . 1 1 46 46 THR CB C 23 71.212 71.212 70.019 1.193 18099 2554 1 4 . 1 1 46 46 THR H H 23 8.666 8.666 8.237 0.429 18099 2555 1 4 . 1 1 47 47 LYS N N 24 120.260 120.260 118.823 1.437 18099 2556 1 4 . 1 1 47 47 LYS C C 24 178.231 178.231 178.672 -0.441 18099 2557 1 4 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.555 2.994 18099 2558 1 4 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.459 -2.041 18099 2559 1 4 . 1 1 47 47 LYS H H 24 8.598 8.598 8.268 0.330 18099 2560 1 4 . 1 1 48 48 GLN N N 25 116.324 116.324 121.370 -5.046 18099 2561 1 4 . 1 1 48 48 GLN C C 25 179.047 179.047 178.089 0.958 18099 2562 1 4 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.210 -0.249 18099 2563 1 4 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.645 -1.372 18099 2564 1 4 . 1 1 48 48 GLN H H 25 8.390 8.390 8.523 -0.133 18099 2565 1 4 . 1 1 49 49 GLU N N 26 119.677 119.677 120.045 -0.368 18099 2566 1 4 . 1 1 49 49 GLU C C 26 179.804 179.804 179.429 0.375 18099 2567 1 4 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.508 -0.439 18099 2568 1 4 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.560 0.765 18099 2569 1 4 . 1 1 49 49 GLU H H 26 7.644 7.644 8.067 -0.423 18099 2570 1 4 . 1 1 50 50 ILE N N 27 123.613 123.613 119.132 4.481 18099 2571 1 4 . 1 1 50 50 ILE C C 27 177.634 177.634 178.143 -0.509 18099 2572 1 4 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.698 2.611 18099 2573 1 4 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.729 0.343 18099 2574 1 4 . 1 1 50 50 ILE H H 27 8.344 8.344 7.707 0.637 18099 2575 1 4 . 1 1 51 51 LEU N N 28 120.697 120.697 122.820 -2.123 18099 2576 1 4 . 1 1 51 51 LEU C C 28 180.620 180.620 178.825 1.795 18099 2577 1 4 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.263 -0.162 18099 2578 1 4 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.693 -0.947 18099 2579 1 4 . 1 1 51 51 LEU H H 28 8.046 8.046 8.290 -0.244 18099 2580 1 4 . 1 1 52 52 LEU N N 29 121.426 121.426 119.986 1.440 18099 2581 1 4 . 1 1 52 52 LEU C C 29 178.968 178.968 178.469 0.499 18099 2582 1 4 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.535 0.135 18099 2583 1 4 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.316 -0.744 18099 2584 1 4 . 1 1 52 52 LEU H H 29 7.998 7.998 8.356 -0.358 18099 2585 1 4 . 1 1 53 53 ALA N N 30 122.447 122.447 121.521 0.926 18099 2586 1 4 . 1 1 53 53 ALA C C 30 179.804 179.804 179.381 0.423 18099 2587 1 4 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.320 -0.124 18099 2588 1 4 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.032 0.072 18099 2589 1 4 . 1 1 53 53 ALA H H 30 8.380 8.380 8.346 0.034 18099 2590 1 4 . 1 1 54 54 HIS N N 31 118.656 118.656 119.214 -0.558 18099 2591 1 4 . 1 1 54 54 HIS C C 31 177.475 177.475 177.358 0.117 18099 2592 1 4 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.441 2.318 18099 2593 1 4 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.080 0.539 18099 2594 1 4 . 1 1 54 54 HIS H H 31 8.760 8.760 8.460 0.300 18099 2595 1 4 . 1 1 55 55 ARG N N 32 121.135 121.135 118.704 2.431 18099 2596 1 4 . 1 1 55 55 ARG C C 32 179.366 179.366 178.548 0.818 18099 2597 1 4 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.224 0.383 18099 2598 1 4 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.936 -0.970 18099 2599 1 4 . 1 1 55 55 ARG H H 32 7.926 7.926 7.658 0.268 18099 2600 1 4 . 1 1 56 56 ARG N N 33 118.219 118.219 118.611 -0.392 18099 2601 1 4 . 1 1 56 56 ARG C C 33 178.669 178.669 178.988 -0.319 18099 2602 1 4 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.258 -0.110 18099 2603 1 4 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.941 -0.783 18099 2604 1 4 . 1 1 56 56 ARG H H 33 8.302 8.302 7.599 0.703 18099 2605 1 4 . 1 1 57 57 PHE N N 34 120.989 120.989 117.577 3.412 18099 2606 1 4 . 1 1 57 57 PHE C C 34 177.435 177.435 177.568 -0.133 18099 2607 1 4 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.289 0.932 18099 2608 1 4 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.471 1.078 18099 2609 1 4 . 1 1 57 57 PHE H H 34 8.675 8.675 8.143 0.532 18099 2610 1 4 . 1 1 58 58 CYS N N 35 114.283 114.283 118.620 -4.337 18099 2611 1 4 . 1 1 58 58 CYS C C 35 176.958 176.958 176.926 0.032 18099 2612 1 4 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.501 2.303 18099 2613 1 4 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.470 0.146 18099 2614 1 4 . 1 1 58 58 CYS H H 35 8.147 8.147 7.822 0.325 18099 2615 1 4 . 1 1 59 59 GLU N N 36 116.615 116.615 119.754 -3.139 18099 2616 1 4 . 1 1 59 59 GLU C C 36 177.276 177.276 177.664 -0.388 18099 2617 1 4 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.740 -0.854 18099 2618 1 4 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.404 -0.769 18099 2619 1 4 . 1 1 59 59 GLU H H 36 7.237 7.237 7.563 -0.326 18099 2620 1 4 . 1 1 60 60 LEU N N 37 116.615 116.615 117.138 -0.523 18099 2621 1 4 . 1 1 60 60 LEU C C 37 176.778 176.778 177.241 -0.463 18099 2622 1 4 . 1 1 60 60 LEU CA C 37 54.120 54.120 55.854 -1.734 18099 2623 1 4 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.166 -1.407 18099 2624 1 4 . 1 1 60 60 LEU H H 37 7.188 7.188 7.329 -0.141 18099 2625 1 4 . 1 1 61 61 LEU N N 38 119.531 119.531 119.273 0.258 18099 2626 1 4 . 1 1 61 61 LEU C C 38 174.848 174.848 174.345 0.503 18099 2627 1 4 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.469 0.284 18099 2628 1 4 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.720 -2.002 18099 2629 1 4 . 1 1 61 61 LEU H H 38 7.060 7.060 7.263 -0.203 18099 2630 1 4 . 1 1 63 63 GLN C C 40 177.754 177.754 178.276 -0.522 18099 2631 1 4 . 1 1 63 63 GLN CA C 40 59.266 59.266 58.996 0.270 18099 2632 1 4 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.279 -0.439 18099 2633 1 4 . 1 1 64 64 GLU N N 41 117.053 117.053 117.844 -0.791 18099 2634 1 4 . 1 1 64 64 GLU C C 41 177.276 177.276 177.892 -0.616 18099 2635 1 4 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.292 -0.084 18099 2636 1 4 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.297 -1.391 18099 2637 1 4 . 1 1 64 64 GLU H H 41 9.287 9.287 8.559 0.728 18099 2638 1 4 . 1 1 65 65 GLN N N 42 119.094 119.094 117.515 1.579 18099 2639 1 4 . 1 1 65 65 GLN C C 42 174.171 174.171 175.861 -1.690 18099 2640 1 4 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.242 -0.477 18099 2641 1 4 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.408 0.861 18099 2642 1 4 . 1 1 65 65 GLN H H 42 8.006 8.006 7.694 0.312 18099 2643 1 4 . 1 1 66 66 ARG N N 43 115.157 115.157 118.980 -3.823 18099 2644 1 4 . 1 1 66 66 ARG C C 43 176.221 176.221 176.401 -0.180 18099 2645 1 4 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.133 -0.001 18099 2646 1 4 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.471 -1.292 18099 2647 1 4 . 1 1 66 66 ARG H H 43 7.039 7.039 7.518 -0.479 18099 2648 1 4 . 1 1 67 67 SER N N 44 114.720 114.720 115.716 -0.996 18099 2649 1 4 . 1 1 67 67 SER C C 44 175.505 175.505 175.964 -0.459 18099 2650 1 4 . 1 1 67 67 SER CA C 44 57.532 57.532 58.737 -1.205 18099 2651 1 4 . 1 1 67 67 SER CB C 44 63.911 63.911 63.794 0.117 18099 2652 1 4 . 1 1 67 67 SER H H 44 7.641 7.641 7.936 -0.295 18099 2653 1 4 . 1 1 68 68 VAL C C 45 178.271 178.271 177.593 0.678 18099 2654 1 4 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.317 2.019 18099 2655 1 4 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.962 -1.550 18099 2656 1 4 . 1 1 69 69 GLU N N 46 118.365 118.365 119.348 -0.983 18099 2657 1 4 . 1 1 69 69 GLU C C 46 179.187 179.187 177.476 1.711 18099 2658 1 4 . 1 1 69 69 GLU CA C 46 59.715 59.715 58.995 0.720 18099 2659 1 4 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.193 -0.981 18099 2660 1 4 . 1 1 69 69 GLU H H 46 8.862 8.862 8.607 0.255 18099 2661 1 4 . 1 1 70 70 SER N N 47 114.137 114.137 113.629 0.508 18099 2662 1 4 . 1 1 70 70 SER C C 47 178.251 178.251 175.716 2.535 18099 2663 1 4 . 1 1 70 70 SER CA C 47 61.113 61.113 60.779 0.334 18099 2664 1 4 . 1 1 70 70 SER CB C 47 62.543 62.543 64.044 -1.501 18099 2665 1 4 . 1 1 70 70 SER H H 47 7.588 7.588 7.618 -0.030 18099 2666 1 4 . 1 1 71 71 SER N N 48 121.280 121.280 119.373 1.907 18099 2667 1 4 . 1 1 71 71 SER C C 48 176.102 176.102 175.750 0.352 18099 2668 1 4 . 1 1 71 71 SER CA C 48 61.544 61.544 61.556 -0.012 18099 2669 1 4 . 1 1 71 71 SER CB C 48 63.348 63.348 63.409 -0.061 18099 2670 1 4 . 1 1 71 71 SER H H 48 8.785 8.785 7.853 0.932 18099 2671 1 4 . 1 1 72 72 LEU N N 49 120.551 120.551 120.358 0.193 18099 2672 1 4 . 1 1 72 72 LEU C C 49 177.555 177.555 178.668 -1.113 18099 2673 1 4 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.339 -0.174 18099 2674 1 4 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.300 -2.120 18099 2675 1 4 . 1 1 72 72 LEU H H 49 7.216 7.216 8.240 -1.024 18099 2676 1 4 . 1 1 73 73 ARG N N 50 116.469 116.469 117.718 -1.249 18099 2677 1 4 . 1 1 73 73 ARG C C 50 175.942 175.942 175.838 0.104 18099 2678 1 4 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.418 -1.653 18099 2679 1 4 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.436 -0.755 18099 2680 1 4 . 1 1 73 73 ARG H H 50 7.394 7.394 8.132 -0.738 18099 2681 1 4 . 1 1 74 74 ALA N N 51 123.904 123.904 121.269 2.635 18099 2682 1 4 . 1 1 74 74 ALA C C 51 176.778 176.778 175.884 0.894 18099 2683 1 4 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.133 1.158 18099 2684 1 4 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.030 0.018 18099 2685 1 4 . 1 1 74 74 ALA H H 51 7.263 7.263 7.607 -0.344 18099 2686 1 4 . 1 1 75 75 GLN N N 52 118.073 118.073 119.573 -1.500 18099 2687 1 4 . 1 1 75 75 GLN C C 52 175.524 175.524 175.531 -0.007 18099 2688 1 4 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.125 -1.328 18099 2689 1 4 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.269 -0.053 18099 2690 1 4 . 1 1 75 75 GLN H H 52 8.283 8.283 8.384 -0.101 18099 2691 1 4 . 1 1 76 76 VAL N N 53 124.925 124.925 121.168 3.757 18099 2692 1 4 . 1 1 76 76 VAL C C 53 173.753 173.753 173.969 -0.216 18099 2693 1 4 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.874 -0.020 18099 2694 1 4 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.472 0.550 18099 2695 1 4 . 1 1 76 76 VAL H H 53 9.093 9.093 8.170 0.923 18099 2696 1 4 . 1 1 77 77 PRO C C 54 178.132 178.132 177.255 0.877 18099 2697 1 4 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.356 -1.185 18099 2698 1 4 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.305 -0.049 18099 2699 1 4 . 1 1 78 78 PHE N N 55 120.406 120.406 122.374 -1.968 18099 2700 1 4 . 1 1 78 78 PHE C C 55 177.236 177.236 177.024 0.212 18099 2701 1 4 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.436 -4.550 18099 2702 1 4 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.605 -3.338 18099 2703 1 4 . 1 1 78 78 PHE H H 55 7.897 7.897 9.017 -1.120 18099 2704 1 4 . 1 1 79 79 GLU N N 56 117.636 117.636 117.690 -0.054 18099 2705 1 4 . 1 1 79 79 GLU C C 56 178.410 178.410 178.204 0.206 18099 2706 1 4 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.669 0.476 18099 2707 1 4 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.273 0.104 18099 2708 1 4 . 1 1 79 79 GLU H H 56 9.202 9.202 8.652 0.550 18099 2709 1 4 . 1 1 80 80 GLN N N 57 114.429 114.429 117.153 -2.724 18099 2710 1 4 . 1 1 80 80 GLN C C 57 178.012 178.012 178.044 -0.032 18099 2711 1 4 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.713 -1.366 18099 2712 1 4 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.175 1.177 18099 2713 1 4 . 1 1 80 80 GLN H H 57 7.332 7.332 8.439 -1.107 18099 2714 1 4 . 1 1 81 81 ILE N N 58 120.989 120.989 117.984 3.005 18099 2715 1 4 . 1 1 81 81 ILE C C 58 177.236 177.236 178.558 -1.322 18099 2716 1 4 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.034 -1.243 18099 2717 1 4 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.279 -0.987 18099 2718 1 4 . 1 1 81 81 ILE H H 58 7.375 7.375 7.606 -0.231 18099 2719 1 4 . 1 1 82 82 LEU N N 59 116.469 116.469 117.346 -0.877 18099 2720 1 4 . 1 1 82 82 LEU C C 59 176.360 176.360 176.602 -0.242 18099 2721 1 4 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.487 -0.108 18099 2722 1 4 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.599 -0.924 18099 2723 1 4 . 1 1 82 82 LEU H H 59 8.144 8.144 7.213 0.931 18099 2724 1 4 . 1 1 83 83 SER N N 60 110.347 110.347 113.362 -3.015 18099 2725 1 4 . 1 1 83 83 SER C C 60 174.708 174.708 175.220 -0.512 18099 2726 1 4 . 1 1 83 83 SER CA C 60 58.316 58.316 59.129 -0.813 18099 2727 1 4 . 1 1 83 83 SER CB C 60 64.074 64.074 62.862 1.212 18099 2728 1 4 . 1 1 83 83 SER H H 60 7.038 7.038 7.361 -0.323 18099 2729 1 4 . 1 1 84 84 LEU N N 61 124.633 124.633 122.708 1.925 18099 2730 1 4 . 1 1 84 84 LEU C C 61 176.599 176.599 174.639 1.960 18099 2731 1 4 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.178 1.510 18099 2732 1 4 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.718 -3.315 18099 2733 1 4 . 1 1 84 84 LEU H H 61 7.674 7.674 7.152 0.522 18099 2734 1 4 . 1 1 85 85 PRO C C 62 178.457 178.457 178.640 -0.183 18099 2735 1 4 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.216 0.112 18099 2736 1 4 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.873 -0.964 18099 2737 1 4 . 1 1 86 86 GLU N N 63 117.198 117.198 118.199 -1.001 18099 2738 1 4 . 1 1 86 86 GLU C C 63 176.280 176.280 179.097 -2.817 18099 2739 1 4 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.300 0.394 18099 2740 1 4 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.218 -1.494 18099 2741 1 4 . 1 1 86 86 GLU H H 63 10.005 10.005 8.776 1.229 18099 2742 1 4 . 1 1 87 87 LEU N N 64 115.595 115.595 118.663 -3.068 18099 2743 1 4 . 1 1 87 87 LEU C C 64 178.197 178.197 179.238 -1.041 18099 2744 1 4 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.118 -1.857 18099 2745 1 4 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.574 2.220 18099 2746 1 4 . 1 1 87 87 LEU H H 64 7.347 7.347 7.780 -0.433 18099 2747 1 4 . 1 1 88 88 LYS N N 65 119.677 119.677 121.245 -1.568 18099 2748 1 4 . 1 1 88 88 LYS C C 65 176.891 176.891 177.794 -0.903 18099 2749 1 4 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.930 1.027 18099 2750 1 4 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.451 -0.921 18099 2751 1 4 . 1 1 88 88 LYS H H 65 7.841 7.841 7.487 0.354 18099 2752 1 4 . 1 1 89 89 ALA C C 66 176.503 176.503 177.263 -0.760 18099 2753 1 4 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.256 -2.430 18099 2754 1 4 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.742 -0.647 18099 2755 1 4 . 1 1 90 90 ASN N N 67 123.467 123.467 118.283 5.184 18099 2756 1 4 . 1 1 90 90 ASN C C 67 175.955 175.955 173.766 2.189 18099 2757 1 4 . 1 1 90 90 ASN CA C 67 50.930 50.930 51.031 -0.101 18099 2758 1 4 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.279 1.911 18099 2759 1 4 . 1 1 90 90 ASN H H 67 7.847 7.847 7.277 0.570 18099 2760 1 4 . 1 1 91 91 PRO C C 68 176.918 176.918 174.957 1.961 18099 2761 1 4 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.790 0.103 18099 2762 1 4 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.349 0.003 18099 2763 1 4 . 1 1 92 92 PHE N N 69 116.178 116.178 112.977 3.201 18099 2764 1 4 . 1 1 92 92 PHE C C 69 176.977 176.977 175.992 0.985 18099 2765 1 4 . 1 1 92 92 PHE CA C 69 56.917 56.917 56.415 0.502 18099 2766 1 4 . 1 1 92 92 PHE CB C 69 38.077 38.077 37.488 0.589 18099 2767 1 4 . 1 1 92 92 PHE H H 69 9.006 9.006 7.495 1.511 18099 2768 1 4 . 1 1 93 93 LYS N N 70 119.385 119.385 122.062 -2.677 18099 2769 1 4 . 1 1 93 93 LYS C C 70 175.982 175.982 177.908 -1.926 18099 2770 1 4 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.980 0.488 18099 2771 1 4 . 1 1 93 93 LYS CB C 70 31.026 31.026 32.022 -0.996 18099 2772 1 4 . 1 1 93 93 LYS H H 70 7.693 7.693 7.999 -0.306 18099 2773 1 4 . 1 1 94 94 GLU N N 71 120.406 120.406 120.017 0.389 18099 2774 1 4 . 1 1 94 94 GLU C C 71 179.007 179.007 179.130 -0.123 18099 2775 1 4 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.635 0.941 18099 2776 1 4 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.250 -1.168 18099 2777 1 4 . 1 1 94 94 GLU H H 71 8.549 8.549 8.747 -0.198 18099 2778 1 4 . 1 1 95 95 ARG N N 72 119.677 119.677 119.664 0.013 18099 2779 1 4 . 1 1 95 95 ARG C C 72 178.112 178.112 179.034 -0.922 18099 2780 1 4 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.292 -2.805 18099 2781 1 4 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.266 -1.559 18099 2782 1 4 . 1 1 95 95 ARG H H 72 7.495 7.495 7.455 0.040 18099 2783 1 4 . 1 1 96 96 ILE N N 73 119.094 119.094 120.962 -1.868 18099 2784 1 4 . 1 1 96 96 ILE C C 73 177.276 177.276 177.767 -0.491 18099 2785 1 4 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.566 0.497 18099 2786 1 4 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.939 -0.710 18099 2787 1 4 . 1 1 96 96 ILE H H 73 8.535 8.535 8.655 -0.120 18099 2788 1 4 . 1 1 97 97 CYS N N 74 115.157 115.157 117.470 -2.313 18099 2789 1 4 . 1 1 97 97 CYS C C 74 174.848 174.848 177.035 -2.187 18099 2790 1 4 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.346 2.748 18099 2791 1 4 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.637 -2.071 18099 2792 1 4 . 1 1 97 97 CYS H H 74 7.235 7.235 7.896 -0.661 18099 2793 1 4 . 1 1 98 98 ARG N N 75 115.886 115.886 121.133 -5.247 18099 2794 1 4 . 1 1 98 98 ARG C C 75 178.470 178.470 178.461 0.009 18099 2795 1 4 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.602 -0.103 18099 2796 1 4 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.109 -0.810 18099 2797 1 4 . 1 1 98 98 ARG H H 75 7.136 7.136 7.993 -0.857 18099 2798 1 4 . 1 1 99 99 VAL N N 76 117.198 117.198 117.479 -0.281 18099 2799 1 4 . 1 1 99 99 VAL C C 76 177.236 177.236 177.110 0.126 18099 2800 1 4 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.440 -0.453 18099 2801 1 4 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.764 -0.917 18099 2802 1 4 . 1 1 99 99 VAL H H 76 8.043 8.043 8.099 -0.056 18099 2803 1 4 . 1 1 100 100 PHE N N 77 115.595 115.595 117.753 -2.158 18099 2804 1 4 . 1 1 100 100 PHE C C 77 175.007 175.007 175.812 -0.805 18099 2805 1 4 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.232 1.236 18099 2806 1 4 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.425 -1.639 18099 2807 1 4 . 1 1 100 100 PHE H H 77 7.436 7.436 7.832 -0.396 18099 2808 1 4 . 1 1 101 101 SER N N 78 112.533 112.533 114.048 -1.515 18099 2809 1 4 . 1 1 101 101 SER C C 78 177.156 177.156 174.374 2.782 18099 2810 1 4 . 1 1 101 101 SER CA C 78 58.639 58.639 58.957 -0.318 18099 2811 1 4 . 1 1 101 101 SER CB C 78 64.208 64.208 64.459 -0.251 18099 2812 1 4 . 1 1 101 101 SER H H 78 7.156 7.156 8.120 -0.964 18099 2813 1 4 . 1 1 102 102 THR N N 79 120.551 120.551 119.392 1.159 18099 2814 1 4 . 1 1 102 102 THR C C 79 175.763 175.763 173.557 2.206 18099 2815 1 4 . 1 1 102 102 THR CA C 79 61.328 61.328 60.726 0.602 18099 2816 1 4 . 1 1 102 102 THR CB C 79 68.647 68.647 68.432 0.215 18099 2817 1 4 . 1 1 102 102 THR H H 79 9.267 9.267 8.540 0.727 18099 2818 1 4 . 1 1 103 103 SER N N 80 121.280 121.280 121.828 -0.548 18099 2819 1 4 . 1 1 103 103 SER C C 80 175.743 175.743 172.799 2.944 18099 2820 1 4 . 1 1 103 103 SER CA C 80 56.164 56.164 55.655 0.509 18099 2821 1 4 . 1 1 103 103 SER CB C 80 63.221 63.221 64.405 -1.184 18099 2822 1 4 . 1 1 103 103 SER H H 80 8.120 8.120 8.205 -0.085 18099 2823 1 4 . 1 1 104 104 PRO C C 81 177.654 177.654 176.477 1.177 18099 2824 1 4 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.489 0.910 18099 2825 1 4 . 1 1 104 104 PRO CB C 81 31.382 31.382 31.983 -0.601 18099 2826 1 4 . 1 1 105 105 ALA N N 82 117.927 117.927 119.667 -1.740 18099 2827 1 4 . 1 1 105 105 ALA C C 82 177.077 177.077 176.477 0.600 18099 2828 1 4 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.390 0.040 18099 2829 1 4 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.591 -1.569 18099 2830 1 4 . 1 1 105 105 ALA H H 82 7.961 7.961 8.100 -0.139 18099 2831 1 4 . 1 1 106 106 LYS N N 83 115.449 115.449 114.972 0.477 18099 2832 1 4 . 1 1 106 106 LYS C C 83 175.206 175.206 175.029 0.177 18099 2833 1 4 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.758 -0.917 18099 2834 1 4 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.642 -1.182 18099 2835 1 4 . 1 1 106 106 LYS H H 83 7.984 7.984 8.015 -0.031 18099 2836 1 4 . 1 1 107 107 ASP N N 84 112.242 112.242 114.371 -2.129 18099 2837 1 4 . 1 1 107 107 ASP C C 84 175.823 175.823 175.937 -0.114 18099 2838 1 4 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.178 -1.887 18099 2839 1 4 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.879 -0.283 18099 2840 1 4 . 1 1 107 107 ASP H H 84 7.670 7.670 8.160 -0.490 18099 2841 1 4 . 1 1 108 108 SER N N 85 113.554 113.554 113.207 0.347 18099 2842 1 4 . 1 1 108 108 SER C C 85 172.897 172.897 172.910 -0.013 18099 2843 1 4 . 1 1 108 108 SER CA C 85 57.132 57.132 57.292 -0.160 18099 2844 1 4 . 1 1 108 108 SER CB C 85 65.347 65.347 66.097 -0.751 18099 2845 1 4 . 1 1 108 108 SER H H 85 7.271 7.271 7.470 -0.199 18099 2846 1 4 . 1 1 109 109 LEU N N 86 121.426 121.426 120.904 0.522 18099 2847 1 4 . 1 1 109 109 LEU C C 86 176.400 176.400 176.031 0.369 18099 2848 1 4 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.286 0.264 18099 2849 1 4 . 1 1 109 109 LEU CB C 86 44.020 44.020 45.897 -1.877 18099 2850 1 4 . 1 1 109 109 LEU H H 86 9.179 9.179 8.043 1.136 18099 2851 1 4 . 1 1 110 110 SER N N 87 117.927 117.927 117.441 0.486 18099 2852 1 4 . 1 1 110 110 SER C C 87 174.808 174.808 175.548 -0.740 18099 2853 1 4 . 1 1 110 110 SER CA C 87 56.056 56.056 56.450 -0.394 18099 2854 1 4 . 1 1 110 110 SER CB C 87 65.644 65.644 64.562 1.081 18099 2855 1 4 . 1 1 110 110 SER H H 87 8.305 8.305 8.734 -0.429 18099 2856 1 4 . 1 1 111 111 PHE N N 88 122.592 122.592 124.401 -1.809 18099 2857 1 4 . 1 1 111 111 PHE C C 88 176.798 176.798 176.753 0.045 18099 2858 1 4 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.901 1.567 18099 2859 1 4 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.050 -0.890 18099 2860 1 4 . 1 1 111 111 PHE H H 88 9.850 9.850 8.943 0.907 18099 2861 1 4 . 1 1 112 112 GLU N N 89 117.782 117.782 120.714 -2.932 18099 2862 1 4 . 1 1 112 112 GLU C C 89 178.490 178.490 178.372 0.118 18099 2863 1 4 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.381 0.764 18099 2864 1 4 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.693 -0.645 18099 2865 1 4 . 1 1 112 112 GLU H H 89 8.233 8.233 6.908 1.325 18099 2866 1 4 . 1 1 113 113 ASP N N 90 121.572 121.572 119.382 2.190 18099 2867 1 4 . 1 1 113 113 ASP C C 90 177.714 177.714 178.787 -1.073 18099 2868 1 4 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.091 -0.066 18099 2869 1 4 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.537 1.162 18099 2870 1 4 . 1 1 113 113 ASP H H 90 7.691 7.691 8.179 -0.488 18099 2871 1 4 . 1 1 114 114 PHE N N 91 121.135 121.135 120.604 0.531 18099 2872 1 4 . 1 1 114 114 PHE C C 91 176.460 176.460 177.256 -0.796 18099 2873 1 4 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.268 -1.231 18099 2874 1 4 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.299 -0.098 18099 2875 1 4 . 1 1 114 114 PHE H H 91 8.214 8.214 7.841 0.373 18099 2876 1 4 . 1 1 115 115 LEU N N 92 118.365 118.365 120.065 -1.700 18099 2877 1 4 . 1 1 115 115 LEU C C 92 179.187 179.187 178.310 0.877 18099 2878 1 4 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.914 -0.782 18099 2879 1 4 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.656 -1.380 18099 2880 1 4 . 1 1 115 115 LEU H H 92 8.189 8.189 8.017 0.172 18099 2881 1 4 . 1 1 116 116 ASP N N 93 120.843 120.843 119.621 1.222 18099 2882 1 4 . 1 1 116 116 ASP C C 93 177.336 177.336 178.842 -1.506 18099 2883 1 4 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.653 -0.413 18099 2884 1 4 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.653 -0.789 18099 2885 1 4 . 1 1 116 116 ASP H H 93 7.640 7.640 7.786 -0.146 18099 2886 1 4 . 1 1 117 117 LEU N N 94 122.447 122.447 121.270 1.177 18099 2887 1 4 . 1 1 117 117 LEU C C 94 177.853 177.853 177.862 -0.009 18099 2888 1 4 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.668 -0.105 18099 2889 1 4 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.232 -0.562 18099 2890 1 4 . 1 1 117 117 LEU H H 94 7.480 7.480 7.223 0.257 18099 2891 1 4 . 1 1 118 118 LEU N N 95 116.907 116.907 119.460 -2.553 18099 2892 1 4 . 1 1 118 118 LEU C C 95 180.923 180.923 178.701 2.222 18099 2893 1 4 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.668 -0.428 18099 2894 1 4 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.282 -0.954 18099 2895 1 4 . 1 1 118 118 LEU H H 95 7.892 7.892 7.488 0.404 18099 2896 1 4 . 1 1 119 119 SER N N 96 116.032 116.032 114.295 1.737 18099 2897 1 4 . 1 1 119 119 SER C C 96 176.343 176.343 176.722 -0.379 18099 2898 1 4 . 1 1 119 119 SER H H 96 8.410 8.410 7.754 0.656 18099 2899 1 4 . 1 1 120 120 VAL N N 97 119.385 119.385 121.432 -2.047 18099 2900 1 4 . 1 1 120 120 VAL C C 97 176.280 176.280 177.666 -1.386 18099 2901 1 4 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.224 -1.198 18099 2902 1 4 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.589 -1.538 18099 2903 1 4 . 1 1 120 120 VAL H H 97 7.255 7.255 7.454 -0.199 18099 2904 1 4 . 1 1 121 121 PHE N N 98 116.761 116.761 118.124 -1.363 18099 2905 1 4 . 1 1 121 121 PHE C C 98 176.206 176.206 176.224 -0.018 18099 2906 1 4 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.928 0.268 18099 2907 1 4 . 1 1 121 121 PHE CB C 98 38.894 38.894 38.962 -0.068 18099 2908 1 4 . 1 1 121 121 PHE H H 98 7.151 7.151 7.858 -0.707 18099 2909 1 4 . 1 1 122 122 SER N N 99 115.449 115.449 114.720 0.729 18099 2910 1 4 . 1 1 122 122 SER C C 99 177.006 177.006 175.003 2.003 18099 2911 1 4 . 1 1 122 122 SER CA C 99 58.486 58.486 60.317 -1.831 18099 2912 1 4 . 1 1 122 122 SER CB C 99 63.834 63.834 64.259 -0.425 18099 2913 1 4 . 1 1 122 122 SER H H 99 7.270 7.270 7.715 -0.445 18099 2914 1 4 . 1 1 123 123 ASP C C 100 177.042 177.042 177.339 -0.297 18099 2915 1 4 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.065 1.114 18099 2916 1 4 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.804 -2.568 18099 2917 1 4 . 1 1 124 124 THR N N 101 111.076 111.076 116.640 -5.564 18099 2918 1 4 . 1 1 124 124 THR C C 101 174.909 174.909 174.963 -0.054 18099 2919 1 4 . 1 1 124 124 THR CA C 101 62.052 62.052 64.862 -2.810 18099 2920 1 4 . 1 1 124 124 THR CB C 101 68.486 68.486 69.025 -0.538 18099 2921 1 4 . 1 1 124 124 THR H H 101 8.147 8.147 7.553 0.594 18099 2922 1 4 . 1 1 125 125 ALA N N 102 124.196 124.196 124.947 -0.751 18099 2923 1 4 . 1 1 125 125 ALA C C 102 176.760 176.760 176.804 -0.044 18099 2924 1 4 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.024 -0.521 18099 2925 1 4 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.967 0.325 18099 2926 1 4 . 1 1 125 125 ALA H H 102 6.801 6.801 7.336 -0.535 18099 2927 1 4 . 1 1 126 126 THR N N 103 111.513 111.513 117.014 -5.501 18099 2928 1 4 . 1 1 126 126 THR C C 103 173.925 173.925 174.352 -0.427 18099 2929 1 4 . 1 1 126 126 THR CA C 103 59.311 59.311 59.458 -0.147 18099 2930 1 4 . 1 1 126 126 THR CB C 103 67.581 67.581 68.732 -1.151 18099 2931 1 4 . 1 1 126 126 THR H H 103 6.254 6.254 7.672 -1.418 18099 2932 1 4 . 1 1 127 127 PRO C C 104 178.402 178.402 178.583 -0.181 18099 2933 1 4 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.453 -1.319 18099 2934 1 4 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.650 -1.101 18099 2935 1 4 . 1 1 128 128 ASP N N 105 116.469 116.469 115.947 0.522 18099 2936 1 4 . 1 1 128 128 ASP C C 105 178.059 178.059 178.509 -0.450 18099 2937 1 4 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.201 -0.333 18099 2938 1 4 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.304 -0.958 18099 2939 1 4 . 1 1 128 128 ASP H H 105 8.341 8.341 8.681 -0.340 18099 2940 1 4 . 1 1 129 129 ILE N N 106 122.738 122.738 119.039 3.699 18099 2941 1 4 . 1 1 129 129 ILE C C 106 178.111 178.111 178.169 -0.058 18099 2942 1 4 . 1 1 129 129 ILE CA C 106 63.250 63.250 61.556 1.694 18099 2943 1 4 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.608 0.141 18099 2944 1 4 . 1 1 129 129 ILE H H 106 7.443 7.443 7.540 -0.097 18099 2945 1 4 . 1 1 130 130 LYS N N 107 119.677 119.677 121.732 -2.055 18099 2946 1 4 . 1 1 130 130 LYS C C 107 178.667 178.667 179.022 -0.355 18099 2947 1 4 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.621 -0.568 18099 2948 1 4 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.539 0.522 18099 2949 1 4 . 1 1 130 130 LYS H H 107 7.599 7.599 8.774 -1.175 18099 2950 1 4 . 1 1 131 131 SER N N 108 113.117 113.117 115.240 -2.123 18099 2951 1 4 . 1 1 131 131 SER C C 108 175.513 175.513 176.770 -1.257 18099 2952 1 4 . 1 1 131 131 SER CA C 108 61.857 61.857 61.843 0.014 18099 2953 1 4 . 1 1 131 131 SER CB C 108 63.068 63.068 62.601 0.467 18099 2954 1 4 . 1 1 131 131 SER H H 108 8.470 8.470 8.019 0.451 18099 2955 1 4 . 1 1 132 132 HIS N N 109 123.175 123.175 123.635 -0.460 18099 2956 1 4 . 1 1 132 132 HIS C C 109 178.143 178.143 177.617 0.526 18099 2957 1 4 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.488 -1.216 18099 2958 1 4 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.053 -0.173 18099 2959 1 4 . 1 1 132 132 HIS H H 109 7.991 7.991 7.740 0.251 18099 2960 1 4 . 1 1 133 133 TYR N N 110 115.595 115.595 118.037 -2.442 18099 2961 1 4 . 1 1 133 133 TYR C C 110 177.946 177.946 177.854 0.092 18099 2962 1 4 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.246 2.229 18099 2963 1 4 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.917 -0.160 18099 2964 1 4 . 1 1 133 133 TYR H H 110 8.060 8.060 8.380 -0.320 18099 2965 1 4 . 1 1 134 134 ALA N N 111 122.009 122.009 122.530 -0.521 18099 2966 1 4 . 1 1 134 134 ALA C C 111 175.937 175.937 179.162 -3.225 18099 2967 1 4 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.095 0.099 18099 2968 1 4 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.917 -0.119 18099 2969 1 4 . 1 1 134 134 ALA H H 111 8.293 8.293 8.074 0.219 18099 2970 1 4 . 1 1 135 135 PHE N N 112 116.615 116.615 119.921 -3.306 18099 2971 1 4 . 1 1 135 135 PHE C C 112 175.710 175.710 177.390 -1.680 18099 2972 1 4 . 1 1 135 135 PHE CA C 112 61.706 61.706 60.962 0.744 18099 2973 1 4 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.655 -0.515 18099 2974 1 4 . 1 1 135 135 PHE H H 112 7.589 7.589 7.929 -0.340 18099 2975 1 4 . 1 1 136 136 ARG N N 113 113.262 113.262 118.631 -5.369 18099 2976 1 4 . 1 1 136 136 ARG C C 113 179.471 179.471 178.450 1.021 18099 2977 1 4 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.299 -1.103 18099 2978 1 4 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.037 -1.063 18099 2979 1 4 . 1 1 136 136 ARG H H 113 7.090 7.090 7.583 -0.493 18099 2980 1 4 . 1 1 137 137 ILE N N 114 120.843 120.843 118.868 1.975 18099 2981 1 4 . 1 1 137 137 ILE C C 114 176.198 176.198 177.544 -1.346 18099 2982 1 4 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.086 0.336 18099 2983 1 4 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.203 -2.515 18099 2984 1 4 . 1 1 137 137 ILE H H 114 7.703 7.703 8.065 -0.362 18099 2985 1 4 . 1 1 138 138 PHE N N 115 117.636 117.636 117.810 -0.174 18099 2986 1 4 . 1 1 138 138 PHE C C 115 173.157 173.157 176.240 -3.083 18099 2987 1 4 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.406 -4.935 18099 2988 1 4 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.746 -2.819 18099 2989 1 4 . 1 1 138 138 PHE H H 115 7.185 7.185 8.476 -1.291 18099 2990 1 4 . 1 1 139 139 ASP N N 116 118.365 118.365 118.950 -0.585 18099 2991 1 4 . 1 1 139 139 ASP C C 116 176.437 176.437 177.754 -1.317 18099 2992 1 4 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.377 -2.517 18099 2993 1 4 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.706 -2.692 18099 2994 1 4 . 1 1 139 139 ASP H H 116 6.856 6.856 7.390 -0.534 18099 2995 1 4 . 1 1 140 140 PHE N N 117 121.864 121.864 128.140 -6.276 18099 2996 1 4 . 1 1 140 140 PHE C C 117 176.620 176.620 175.773 0.847 18099 2997 1 4 . 1 1 140 140 PHE CA C 117 62.410 62.410 60.941 1.469 18099 2998 1 4 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.293 -0.039 18099 2999 1 4 . 1 1 140 140 PHE H H 117 7.462 7.462 8.164 -0.702 18099 3000 1 4 . 1 1 141 141 ASP N N 118 114.866 114.866 116.619 -1.753 18099 3001 1 4 . 1 1 141 141 ASP C C 118 176.206 176.206 175.713 0.493 18099 3002 1 4 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.104 -2.570 18099 3003 1 4 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.501 -1.289 18099 3004 1 4 . 1 1 141 141 ASP H H 118 8.048 8.048 8.272 -0.224 18099 3005 1 4 . 1 1 142 142 ASP N N 119 116.761 116.761 116.328 0.433 18099 3006 1 4 . 1 1 142 142 ASP C C 119 175.386 175.386 175.996 -0.610 18099 3007 1 4 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.648 0.716 18099 3008 1 4 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.484 0.591 18099 3009 1 4 . 1 1 142 142 ASP H H 119 8.144 8.144 8.009 0.135 18099 3010 1 4 . 1 1 143 143 ASP N N 120 119.094 119.094 117.455 1.639 18099 3011 1 4 . 1 1 143 143 ASP C C 120 178.404 178.404 177.315 1.089 18099 3012 1 4 . 1 1 143 143 ASP CA C 120 53.933 53.933 55.011 -1.077 18099 3013 1 4 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.780 -0.852 18099 3014 1 4 . 1 1 143 143 ASP H H 120 8.124 8.124 8.467 -0.343 18099 3015 1 4 . 1 1 144 144 GLY N N 121 115.303 115.303 108.106 7.197 18099 3016 1 4 . 1 1 144 144 GLY C C 121 173.571 173.571 174.229 -0.658 18099 3017 1 4 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.174 -0.002 18099 3018 1 4 . 1 1 144 144 GLY H H 121 10.971 10.971 8.811 2.160 18099 3019 1 4 . 1 1 145 145 THR N N 122 110.930 110.930 118.738 -7.808 18099 3020 1 4 . 1 1 145 145 THR C C 122 173.029 173.029 174.177 -1.148 18099 3021 1 4 . 1 1 145 145 THR CA C 122 59.944 59.944 63.142 -3.199 18099 3022 1 4 . 1 1 145 145 THR CB C 122 72.345 72.345 70.094 2.251 18099 3023 1 4 . 1 1 145 145 THR H H 122 7.728 7.728 8.122 -0.394 18099 3024 1 4 . 1 1 146 146 LEU N N 123 125.508 125.508 123.781 1.727 18099 3025 1 4 . 1 1 146 146 LEU C C 123 175.815 175.815 175.891 -0.076 18099 3026 1 4 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.213 0.160 18099 3027 1 4 . 1 1 146 146 LEU CB C 123 39.905 39.905 44.698 -4.793 18099 3028 1 4 . 1 1 146 146 LEU H H 123 9.627 9.627 8.210 1.417 18099 3029 1 4 . 1 1 147 147 ASN N N 124 123.904 123.904 120.747 3.157 18099 3030 1 4 . 1 1 147 147 ASN CA C 124 49.532 49.532 50.730 -1.198 18099 3031 1 4 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.330 -1.015 18099 3032 1 4 . 1 1 147 147 ASN H H 124 8.700 8.700 8.427 0.273 18099 3033 1 4 . 1 1 148 148 ARG C C 125 178.331 178.331 178.533 -0.202 18099 3034 1 4 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.657 0.244 18099 3035 1 4 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.022 -0.754 18099 3036 1 4 . 1 1 149 149 GLU N N 126 120.114 120.114 119.645 0.469 18099 3037 1 4 . 1 1 149 149 GLU C C 126 179.537 179.537 179.337 0.200 18099 3038 1 4 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.392 -0.101 18099 3039 1 4 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.291 -1.296 18099 3040 1 4 . 1 1 149 149 GLU H H 126 7.679 7.679 8.545 -0.866 18099 3041 1 4 . 1 1 150 150 ASP N N 127 122.009 122.009 121.386 0.623 18099 3042 1 4 . 1 1 150 150 ASP C C 127 180.544 180.544 178.440 2.104 18099 3043 1 4 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.298 0.804 18099 3044 1 4 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.268 0.310 18099 3045 1 4 . 1 1 150 150 ASP H H 127 8.242 8.242 9.201 -0.959 18099 3046 1 4 . 1 1 151 151 LEU C C 128 178.251 178.251 178.980 -0.729 18099 3047 1 4 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.785 -0.671 18099 3048 1 4 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.630 -0.482 18099 3049 1 4 . 1 1 152 152 SER N N 129 116.324 116.324 114.663 1.661 18099 3050 1 4 . 1 1 152 152 SER C C 129 176.599 176.599 177.347 -0.748 18099 3051 1 4 . 1 1 152 152 SER CA C 129 61.113 61.113 61.538 -0.425 18099 3052 1 4 . 1 1 152 152 SER CB C 129 62.531 62.531 62.649 -0.118 18099 3053 1 4 . 1 1 152 152 SER H H 129 8.293 8.293 8.248 0.045 18099 3054 1 4 . 1 1 153 153 ARG N N 130 122.155 122.155 121.840 0.315 18099 3055 1 4 . 1 1 153 153 ARG C C 130 179.087 179.087 178.417 0.670 18099 3056 1 4 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.757 0.204 18099 3057 1 4 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.152 -2.401 18099 3058 1 4 . 1 1 153 153 ARG H H 130 7.590 7.590 7.621 -0.031 18099 3059 1 4 . 1 1 154 154 LEU N N 131 122.447 122.447 121.694 0.753 18099 3060 1 4 . 1 1 154 154 LEU C C 131 178.570 178.570 178.555 0.015 18099 3061 1 4 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.278 0.577 18099 3062 1 4 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.140 -0.479 18099 3063 1 4 . 1 1 154 154 LEU H H 131 8.307 8.307 7.655 0.652 18099 3064 1 4 . 1 1 155 155 VAL N N 132 118.802 118.802 115.354 3.448 18099 3065 1 4 . 1 1 155 155 VAL C C 132 178.948 178.948 177.208 1.740 18099 3066 1 4 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.680 -0.187 18099 3067 1 4 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.716 -1.023 18099 3068 1 4 . 1 1 155 155 VAL H H 132 8.438 8.438 8.475 -0.037 18099 3069 1 4 . 1 1 156 156 ASN N N 133 119.677 119.677 119.255 0.422 18099 3070 1 4 . 1 1 156 156 ASN C C 133 177.953 177.953 177.636 0.317 18099 3071 1 4 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.755 0.194 18099 3072 1 4 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.037 -0.154 18099 3073 1 4 . 1 1 156 156 ASN H H 133 8.057 8.057 7.680 0.377 18099 3074 1 4 . 1 1 157 157 CYS N N 134 118.219 118.219 119.105 -0.886 18099 3075 1 4 . 1 1 157 157 CYS C C 134 176.122 176.122 177.411 -1.289 18099 3076 1 4 . 1 1 157 157 CYS CA C 134 62.189 62.189 63.974 -1.785 18099 3077 1 4 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.534 -0.605 18099 3078 1 4 . 1 1 157 157 CYS H H 134 7.851 7.851 8.093 -0.242 18099 3079 1 4 . 1 1 158 158 LEU N N 135 117.782 117.782 118.879 -1.097 18099 3080 1 4 . 1 1 158 158 LEU C C 135 178.231 178.231 179.051 -0.820 18099 3081 1 4 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.353 -1.189 18099 3082 1 4 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.645 -0.334 18099 3083 1 4 . 1 1 158 158 LEU H H 135 7.691 7.691 7.799 -0.108 18099 3084 1 4 . 1 1 159 159 THR N N 136 109.763 109.763 113.635 -3.872 18099 3085 1 4 . 1 1 159 159 THR C C 136 175.724 175.724 175.259 0.465 18099 3086 1 4 . 1 1 159 159 THR CA C 136 62.297 62.297 65.443 -3.146 18099 3087 1 4 . 1 1 159 159 THR CB C 136 69.800 69.800 69.272 0.528 18099 3088 1 4 . 1 1 159 159 THR H H 136 7.785 7.785 7.856 -0.071 18099 3089 1 4 . 1 1 160 160 GLY N N 137 110.638 110.638 108.426 2.212 18099 3090 1 4 . 1 1 160 160 GLY C C 137 174.231 174.231 172.367 1.864 18099 3091 1 4 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.776 0.414 18099 3092 1 4 . 1 1 160 160 GLY H H 137 7.797 7.797 7.919 -0.122 18099 3093 1 4 . 1 1 161 161 GLU N N 138 120.260 120.260 122.760 -2.500 18099 3094 1 4 . 1 1 161 161 GLU C C 138 177.043 177.043 177.795 -0.752 18099 3095 1 4 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.404 -0.917 18099 3096 1 4 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.032 -0.316 18099 3097 1 4 . 1 1 161 161 GLU H H 138 8.239 8.239 7.782 0.457 18099 3098 1 4 . 1 1 162 162 GLY N N 139 109.909 109.909 112.493 -2.584 18099 3099 1 4 . 1 1 162 162 GLY C C 139 174.400 174.400 173.214 1.186 18099 3100 1 4 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.938 0.068 18099 3101 1 4 . 1 1 162 162 GLY H H 139 8.221 8.221 8.779 -0.558 18099 3102 1 4 . 1 1 164 164 ASP C C 141 176.480 176.480 176.643 -0.163 18099 3103 1 4 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.896 -0.256 18099 3104 1 4 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.167 -0.783 18099 3105 1 4 . 1 1 165 165 THR N N 142 112.242 112.242 113.359 -1.117 18099 3106 1 4 . 1 1 165 165 THR C C 142 174.251 174.251 174.863 -0.612 18099 3107 1 4 . 1 1 165 165 THR CA C 142 61.436 61.436 62.344 -0.908 18099 3108 1 4 . 1 1 165 165 THR CB C 142 69.364 69.364 69.365 -0.001 18099 3109 1 4 . 1 1 165 165 THR H H 142 7.585 7.585 7.747 -0.162 18099 3110 1 4 . 1 1 166 166 ARG N N 143 123.467 123.467 119.885 3.582 18099 3111 1 4 . 1 1 166 166 ARG C C 143 176.360 176.360 175.294 1.066 18099 3112 1 4 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.124 -1.390 18099 3113 1 4 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.730 1.203 18099 3114 1 4 . 1 1 166 166 ARG H H 143 7.833 7.833 8.461 -0.628 18099 3115 1 4 . 1 1 167 167 LEU N N 144 124.342 124.342 122.808 1.534 18099 3116 1 4 . 1 1 167 167 LEU C C 144 177.614 177.614 175.567 2.047 18099 3117 1 4 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.145 1.190 18099 3118 1 4 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.724 -3.206 18099 3119 1 4 . 1 1 167 167 LEU H H 144 8.377 8.377 8.146 0.231 18099 3120 1 4 . 1 1 168 168 SER N N 145 119.385 119.385 117.293 2.092 18099 3121 1 4 . 1 1 168 168 SER C C 145 174.748 174.748 173.600 1.148 18099 3122 1 4 . 1 1 168 168 SER CA C 145 57.132 57.132 59.480 -2.348 18099 3123 1 4 . 1 1 168 168 SER CB C 145 64.882 64.882 63.637 1.245 18099 3124 1 4 . 1 1 168 168 SER H H 145 8.935 8.935 8.373 0.562 18099 3125 1 4 . 1 1 170 170 SER C C 147 177.296 177.296 176.214 1.082 18099 3126 1 4 . 1 1 170 170 SER CA C 147 60.665 60.665 61.109 -0.444 18099 3127 1 4 . 1 1 170 170 SER CB C 147 62.108 62.108 62.464 -0.356 18099 3128 1 4 . 1 1 171 171 GLU N N 148 124.488 124.488 121.203 3.285 18099 3129 1 4 . 1 1 171 171 GLU C C 148 179.525 179.525 178.720 0.805 18099 3130 1 4 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.875 -0.236 18099 3131 1 4 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.942 0.665 18099 3132 1 4 . 1 1 171 171 GLU H H 148 7.645 7.645 8.438 -0.793 18099 3133 1 4 . 1 1 172 172 MET N N 149 120.260 120.260 119.745 0.515 18099 3134 1 4 . 1 1 172 172 MET C C 149 177.117 177.117 177.850 -0.733 18099 3135 1 4 . 1 1 172 172 MET CA C 149 58.501 58.501 56.878 1.623 18099 3136 1 4 . 1 1 172 172 MET CB C 149 31.418 31.418 32.244 -0.826 18099 3137 1 4 . 1 1 172 172 MET H H 149 8.630 8.630 8.035 0.595 18099 3138 1 4 . 1 1 173 173 LYS N N 150 119.239 119.239 120.044 -0.805 18099 3139 1 4 . 1 1 173 173 LYS C C 150 178.012 178.012 178.809 -0.797 18099 3140 1 4 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.722 -0.115 18099 3141 1 4 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.333 -0.955 18099 3142 1 4 . 1 1 173 173 LYS H H 150 7.733 7.733 8.038 -0.305 18099 3143 1 4 . 1 1 174 174 GLN N N 151 116.907 116.907 117.242 -0.335 18099 3144 1 4 . 1 1 174 174 GLN C C 151 178.172 178.172 178.608 -0.436 18099 3145 1 4 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.638 0.678 18099 3146 1 4 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.338 -0.231 18099 3147 1 4 . 1 1 174 174 GLN H H 151 7.513 7.513 7.736 -0.223 18099 3148 1 4 . 1 1 175 175 LEU N N 152 120.989 120.989 122.675 -1.686 18099 3149 1 4 . 1 1 175 175 LEU C C 152 179.226 179.226 178.623 0.603 18099 3150 1 4 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.172 -0.022 18099 3151 1 4 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.670 -0.677 18099 3152 1 4 . 1 1 175 175 LEU H H 152 7.819 7.819 7.631 0.188 18099 3153 1 4 . 1 1 176 176 ILE N N 153 119.823 119.823 118.622 1.201 18099 3154 1 4 . 1 1 176 176 ILE C C 153 177.893 177.893 178.439 -0.546 18099 3155 1 4 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.792 1.517 18099 3156 1 4 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.222 0.644 18099 3157 1 4 . 1 1 176 176 ILE H H 153 8.210 8.210 7.641 0.569 18099 3158 1 4 . 1 1 177 177 ASP N N 154 120.114 120.114 120.978 -0.864 18099 3159 1 4 . 1 1 177 177 ASP C C 154 179.605 179.605 178.967 0.638 18099 3160 1 4 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.572 -0.119 18099 3161 1 4 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.968 -1.019 18099 3162 1 4 . 1 1 177 177 ASP H H 154 8.581 8.581 8.006 0.575 18099 3163 1 4 . 1 1 178 178 ASN N N 155 120.114 120.114 118.515 1.599 18099 3164 1 4 . 1 1 178 178 ASN C C 155 177.813 177.813 177.969 -0.156 18099 3165 1 4 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.895 0.269 18099 3166 1 4 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.336 -0.268 18099 3167 1 4 . 1 1 178 178 ASN H H 155 8.150 8.150 8.262 -0.112 18099 3168 1 4 . 1 1 179 179 ILE N N 156 122.301 122.301 121.442 0.859 18099 3169 1 4 . 1 1 179 179 ILE C C 156 180.182 180.182 178.126 2.056 18099 3170 1 4 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.696 -0.494 18099 3171 1 4 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.036 -0.520 18099 3172 1 4 . 1 1 179 179 ILE H H 156 8.360 8.360 7.821 0.539 18099 3173 1 4 . 1 1 180 180 LEU N N 157 121.864 121.864 120.391 1.473 18099 3174 1 4 . 1 1 180 180 LEU C C 157 178.859 178.859 179.316 -0.457 18099 3175 1 4 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.247 -0.146 18099 3176 1 4 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.598 -1.465 18099 3177 1 4 . 1 1 180 180 LEU H H 157 8.283 8.283 8.348 -0.065 18099 3178 1 4 . 1 1 181 181 GLU N N 158 120.843 120.843 119.144 1.699 18099 3179 1 4 . 1 1 181 181 GLU C C 158 179.062 179.062 179.312 -0.250 18099 3180 1 4 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.305 -0.121 18099 3181 1 4 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.651 -0.964 18099 3182 1 4 . 1 1 181 181 GLU H H 158 8.465 8.465 8.267 0.198 18099 3183 1 4 . 1 1 182 182 GLU N N 159 114.574 114.574 117.615 -3.041 18099 3184 1 4 . 1 1 182 182 GLU C C 159 178.090 178.090 177.622 0.468 18099 3185 1 4 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.389 -0.845 18099 3186 1 4 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.750 0.365 18099 3187 1 4 . 1 1 182 182 GLU H H 159 7.651 7.651 8.276 -0.625 18099 3188 1 4 . 1 1 183 183 SER N N 160 110.492 110.492 113.146 -2.654 18099 3189 1 4 . 1 1 183 183 SER C C 160 174.309 174.309 174.267 0.042 18099 3190 1 4 . 1 1 183 183 SER CA C 160 59.252 59.252 59.987 -0.736 18099 3191 1 4 . 1 1 183 183 SER CB C 160 65.311 65.311 64.220 1.091 18099 3192 1 4 . 1 1 183 183 SER H H 160 7.670 7.670 8.021 -0.351 18099 3193 1 4 . 1 1 184 184 ASP N N 161 120.551 120.551 121.188 -0.637 18099 3194 1 4 . 1 1 184 184 ASP C C 161 177.190 177.190 176.055 1.135 18099 3195 1 4 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.384 -1.967 18099 3196 1 4 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.687 -2.732 18099 3197 1 4 . 1 1 184 184 ASP H H 161 8.437 8.437 8.013 0.424 18099 3198 1 4 . 1 1 185 185 ILE N N 162 126.820 126.820 120.092 6.728 18099 3199 1 4 . 1 1 185 185 ILE C C 162 177.878 177.878 176.414 1.464 18099 3200 1 4 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.085 0.471 18099 3201 1 4 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.806 -1.708 18099 3202 1 4 . 1 1 185 185 ILE H H 162 7.588 7.588 8.255 -0.667 18099 3203 1 4 . 1 1 186 186 ASP N N 163 116.615 116.615 117.712 -1.097 18099 3204 1 4 . 1 1 186 186 ASP C C 163 176.171 176.171 176.445 -0.274 18099 3205 1 4 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.950 -1.698 18099 3206 1 4 . 1 1 186 186 ASP CB C 163 38.780 38.780 40.152 -1.372 18099 3207 1 4 . 1 1 186 186 ASP H H 163 8.247 8.247 8.292 -0.045 18099 3208 1 4 . 1 1 187 187 ARG N N 164 115.303 115.303 115.313 -0.010 18099 3209 1 4 . 1 1 187 187 ARG C C 164 176.086 176.086 175.823 0.263 18099 3210 1 4 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.913 -0.375 18099 3211 1 4 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.485 -2.958 18099 3212 1 4 . 1 1 187 187 ARG H H 164 7.597 7.597 8.208 -0.611 18099 3213 1 4 . 1 1 188 188 ASP N N 165 120.551 120.551 117.939 2.612 18099 3214 1 4 . 1 1 188 188 ASP C C 165 177.731 177.731 177.729 0.002 18099 3215 1 4 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.270 -1.634 18099 3216 1 4 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.651 -0.340 18099 3217 1 4 . 1 1 188 188 ASP H H 165 8.603 8.603 8.318 0.285 18099 3218 1 4 . 1 1 189 189 GLY N N 166 114.283 114.283 106.509 7.774 18099 3219 1 4 . 1 1 189 189 GLY C C 166 173.220 173.220 173.749 -0.529 18099 3220 1 4 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.190 -0.259 18099 3221 1 4 . 1 1 189 189 GLY H H 166 10.434 10.434 8.721 1.713 18099 3222 1 4 . 1 1 190 190 THR N N 167 110.201 110.201 111.015 -0.814 18099 3223 1 4 . 1 1 190 190 THR C C 167 173.793 173.793 173.049 0.744 18099 3224 1 4 . 1 1 190 190 THR CA C 167 59.054 59.054 60.232 -1.178 18099 3225 1 4 . 1 1 190 190 THR CB C 167 72.483 72.483 72.288 0.195 18099 3226 1 4 . 1 1 190 190 THR H H 167 8.087 8.087 8.432 -0.345 18099 3227 1 4 . 1 1 191 191 ILE N N 168 124.779 124.779 122.407 2.372 18099 3228 1 4 . 1 1 191 191 ILE C C 168 175.685 175.685 175.003 0.682 18099 3229 1 4 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.182 -1.105 18099 3230 1 4 . 1 1 191 191 ILE CB C 168 38.406 38.406 41.284 -2.878 18099 3231 1 4 . 1 1 191 191 ILE H H 168 9.275 9.275 8.137 1.138 18099 3232 1 4 . 1 1 192 192 ASN N N 169 109.180 109.180 125.269 -16.089 18099 3233 1 4 . 1 1 192 192 ASN C C 169 175.095 175.095 176.260 -1.165 18099 3234 1 4 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.998 -1.046 18099 3235 1 4 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.325 -1.119 18099 3236 1 4 . 1 1 192 192 ASN H H 169 9.154 9.154 8.356 0.798 18099 3237 1 4 . 1 1 193 193 LEU N N 170 120.697 120.697 118.552 2.145 18099 3238 1 4 . 1 1 193 193 LEU C C 170 178.160 178.160 177.769 0.391 18099 3239 1 4 . 1 1 193 193 LEU CA C 170 58.382 58.382 57.780 0.602 18099 3240 1 4 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.376 -0.898 18099 3241 1 4 . 1 1 193 193 LEU H H 170 8.162 8.162 7.982 0.180 18099 3242 1 4 . 1 1 194 194 SER N N 171 114.283 114.283 114.285 -0.002 18099 3243 1 4 . 1 1 194 194 SER C C 171 178.124 178.124 177.068 1.056 18099 3244 1 4 . 1 1 194 194 SER CA C 171 60.901 60.901 61.516 -0.615 18099 3245 1 4 . 1 1 194 194 SER CB C 171 62.358 62.358 62.571 -0.213 18099 3246 1 4 . 1 1 194 194 SER H H 171 7.812 7.812 7.946 -0.134 18099 3247 1 4 . 1 1 195 195 GLU N N 172 124.050 124.050 121.916 2.134 18099 3248 1 4 . 1 1 195 195 GLU C C 172 179.334 179.334 178.948 0.386 18099 3249 1 4 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.979 -0.137 18099 3250 1 4 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.629 -0.845 18099 3251 1 4 . 1 1 195 195 GLU H H 172 8.540 8.540 9.070 -0.530 18099 3252 1 4 . 1 1 196 196 PHE N N 173 121.864 121.864 121.136 0.728 18099 3253 1 4 . 1 1 196 196 PHE C C 173 176.340 176.340 177.216 -0.876 18099 3254 1 4 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.509 -0.337 18099 3255 1 4 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.297 0.364 18099 3256 1 4 . 1 1 196 196 PHE H H 173 8.738 8.738 8.497 0.241 18099 3257 1 4 . 1 1 197 197 GLN N N 174 117.198 117.198 118.551 -1.353 18099 3258 1 4 . 1 1 197 197 GLN C C 174 178.868 178.868 177.641 1.227 18099 3259 1 4 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.249 -0.180 18099 3260 1 4 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.627 -1.107 18099 3261 1 4 . 1 1 197 197 GLN H H 174 8.912 8.912 8.146 0.766 18099 3262 1 4 . 1 1 198 198 HIS N N 175 120.697 120.697 118.698 1.999 18099 3263 1 4 . 1 1 198 198 HIS C C 175 177.236 177.236 178.273 -1.037 18099 3264 1 4 . 1 1 198 198 HIS CA C 175 59.715 59.715 59.649 0.066 18099 3265 1 4 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.793 -0.214 18099 3266 1 4 . 1 1 198 198 HIS H H 175 8.165 8.165 7.603 0.562 18099 3267 1 4 . 1 1 199 199 VAL N N 176 117.927 117.927 119.766 -1.839 18099 3268 1 4 . 1 1 199 199 VAL C C 176 178.749 178.749 178.428 0.321 18099 3269 1 4 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.295 -0.663 18099 3270 1 4 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.373 -0.757 18099 3271 1 4 . 1 1 199 199 VAL H H 176 7.654 7.654 8.182 -0.528 18099 3272 1 4 . 1 1 200 200 ILE N N 177 117.636 117.636 117.755 -0.119 18099 3273 1 4 . 1 1 200 200 ILE C C 177 178.331 178.331 176.508 1.823 18099 3274 1 4 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.966 -1.454 18099 3275 1 4 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.076 -1.817 18099 3276 1 4 . 1 1 200 200 ILE H H 177 7.540 7.540 7.744 -0.204 18099 3277 1 4 . 1 1 201 201 SER C C 178 174.450 174.450 174.365 0.085 18099 3278 1 4 . 1 1 201 201 SER CA C 178 60.450 60.450 57.865 2.585 18099 3279 1 4 . 1 1 201 201 SER CB C 178 62.849 62.849 62.925 -0.076 18099 3280 1 4 . 1 1 202 202 ARG N N 179 118.073 118.073 121.989 -3.916 18099 3281 1 4 . 1 1 202 202 ARG C C 179 176.778 176.778 175.785 0.993 18099 3282 1 4 . 1 1 202 202 ARG CA C 179 55.196 55.196 57.061 -1.865 18099 3283 1 4 . 1 1 202 202 ARG CB C 179 29.291 29.291 32.040 -2.749 18099 3284 1 4 . 1 1 202 202 ARG H H 179 6.975 6.975 7.280 -0.305 18099 3285 1 4 . 1 1 203 203 SER N N 180 117.927 117.927 113.739 4.188 18099 3286 1 4 . 1 1 203 203 SER CA C 180 55.949 55.949 56.261 -0.312 18099 3287 1 4 . 1 1 203 203 SER CB C 180 63.786 63.786 65.144 -1.358 18099 3288 1 4 . 1 1 203 203 SER H H 180 7.391 7.391 7.586 -0.195 18099 3289 1 4 . 1 1 206 206 PHE C C 183 176.466 176.466 177.763 -1.297 18099 3290 1 4 . 1 1 206 206 PHE CA C 183 57.576 57.576 60.019 -2.443 18099 3291 1 4 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.326 1.140 18099 3292 1 4 . 1 1 207 207 ALA N N 184 123.904 123.904 122.444 1.460 18099 3293 1 4 . 1 1 207 207 ALA CA C 184 55.030 55.030 54.779 0.251 18099 3294 1 4 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.512 -0.322 18099 3295 1 4 . 1 1 207 207 ALA H H 184 8.032 8.032 7.496 0.536 18099 3296 1 4 . 1 1 211 211 LYS C C 188 175.805 175.805 176.263 -0.458 18099 3297 1 4 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.196 -3.046 18099 3298 1 4 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.932 -1.378 18099 3299 1 4 . 1 1 212 212 ILE N N 189 122.155 122.155 117.659 4.496 18099 3300 1 4 . 1 1 212 212 ILE C C 189 175.725 175.725 175.075 0.650 18099 3301 1 4 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.373 1.168 18099 3302 1 4 . 1 1 212 212 ILE CB C 189 37.939 37.939 39.335 -1.396 18099 3303 1 4 . 1 1 212 212 ILE H H 189 7.940 7.940 8.177 -0.237 18099 3304 1 4 . 1 1 213 213 VAL N N 190 125.945 125.945 126.954 -1.009 18099 3305 1 4 . 1 1 213 213 VAL C C 190 174.938 174.938 175.913 -0.975 18099 3306 1 4 . 1 1 213 213 VAL CA C 190 61.870 61.870 62.742 -0.872 18099 3307 1 4 . 1 1 213 213 VAL CB C 190 31.892 31.892 32.361 -0.469 18099 3308 1 4 . 1 1 213 213 VAL H H 190 8.076 8.076 8.423 -0.347 18099 3309 1 5 . 1 1 32 32 SER N N 9 117.053 117.053 117.778 -0.725 18099 3310 1 5 . 1 1 32 32 SER C C 9 174.637 174.637 175.674 -1.037 18099 3311 1 5 . 1 1 32 32 SER CA C 9 57.078 57.078 57.322 -0.244 18099 3312 1 5 . 1 1 32 32 SER CB C 9 64.513 64.513 64.992 -0.479 18099 3313 1 5 . 1 1 32 32 SER H H 9 7.690 7.690 8.071 -0.381 18099 3314 1 5 . 1 1 33 33 LYS C C 10 178.968 178.968 177.792 1.176 18099 3315 1 5 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.234 1.817 18099 3316 1 5 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.495 -0.158 18099 3317 1 5 . 1 1 34 34 GLU N N 11 120.114 120.114 119.845 0.269 18099 3318 1 5 . 1 1 34 34 GLU C C 11 178.968 178.968 178.351 0.617 18099 3319 1 5 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.616 0.991 18099 3320 1 5 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.993 -1.026 18099 3321 1 5 . 1 1 34 34 GLU H H 11 8.720 8.720 7.563 1.157 18099 3322 1 5 . 1 1 35 35 LEU N N 12 122.738 122.738 121.254 1.484 18099 3323 1 5 . 1 1 35 35 LEU C C 12 178.749 178.749 178.926 -0.177 18099 3324 1 5 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.355 -0.330 18099 3325 1 5 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.691 -0.577 18099 3326 1 5 . 1 1 35 35 LEU H H 12 7.613 7.613 7.847 -0.234 18099 3327 1 5 . 1 1 36 36 LEU N N 13 118.510 118.510 119.634 -1.124 18099 3328 1 5 . 1 1 36 36 LEU C C 13 178.788 178.788 177.728 1.060 18099 3329 1 5 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.935 -0.265 18099 3330 1 5 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.196 -0.147 18099 3331 1 5 . 1 1 36 36 LEU H H 13 8.252 8.252 7.445 0.807 18099 3332 1 5 . 1 1 37 37 ALA N N 14 119.968 119.968 120.047 -0.079 18099 3333 1 5 . 1 1 37 37 ALA C C 14 180.023 180.023 179.510 0.513 18099 3334 1 5 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.685 -0.144 18099 3335 1 5 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.752 -0.322 18099 3336 1 5 . 1 1 37 37 ALA H H 14 7.664 7.664 7.391 0.273 18099 3337 1 5 . 1 1 38 38 GLU N N 15 119.239 119.239 119.725 -0.486 18099 3338 1 5 . 1 1 38 38 GLU C C 15 179.326 179.326 178.788 0.538 18099 3339 1 5 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.777 -0.138 18099 3340 1 5 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.582 -1.139 18099 3341 1 5 . 1 1 38 38 GLU H H 15 7.501 7.501 7.615 -0.114 18099 3342 1 5 . 1 1 39 39 TYR N N 16 117.053 117.053 118.781 -1.728 18099 3343 1 5 . 1 1 39 39 TYR C C 16 178.868 178.868 177.730 1.138 18099 3344 1 5 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.766 -0.729 18099 3345 1 5 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.102 -0.750 18099 3346 1 5 . 1 1 39 39 TYR H H 16 8.156 8.156 7.472 0.684 18099 3347 1 5 . 1 1 40 40 GLN N N 17 121.718 121.718 118.844 2.874 18099 3348 1 5 . 1 1 40 40 GLN C C 17 176.938 176.938 177.185 -0.247 18099 3349 1 5 . 1 1 40 40 GLN CA C 17 58.531 58.531 57.867 0.663 18099 3350 1 5 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.589 -0.077 18099 3351 1 5 . 1 1 40 40 GLN H H 17 8.287 8.287 7.529 0.758 18099 3352 1 5 . 1 1 41 41 ASP N N 18 117.636 117.636 120.722 -3.086 18099 3353 1 5 . 1 1 41 41 ASP C C 18 177.336 177.336 177.365 -0.029 18099 3354 1 5 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.784 -1.191 18099 3355 1 5 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.999 -0.436 18099 3356 1 5 . 1 1 41 41 ASP H H 18 7.448 7.448 7.518 -0.070 18099 3357 1 5 . 1 1 42 42 LEU N N 19 117.782 117.782 119.526 -1.744 18099 3358 1 5 . 1 1 42 42 LEU C C 19 176.938 176.938 176.537 0.401 18099 3359 1 5 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.780 0.758 18099 3360 1 5 . 1 1 42 42 LEU CB C 19 42.930 42.930 41.826 1.104 18099 3361 1 5 . 1 1 42 42 LEU H H 19 7.444 7.444 8.597 -1.153 18099 3362 1 5 . 1 1 43 43 THR N N 20 109.763 109.763 116.329 -6.566 18099 3363 1 5 . 1 1 43 43 THR C C 20 173.096 173.096 175.687 -2.591 18099 3364 1 5 . 1 1 43 43 THR CA C 20 60.145 60.145 63.594 -3.449 18099 3365 1 5 . 1 1 43 43 THR CB C 20 71.461 71.461 70.559 0.902 18099 3366 1 5 . 1 1 43 43 THR H H 20 7.348 7.348 8.042 -0.694 18099 3367 1 5 . 1 1 44 44 PHE N N 21 117.490 117.490 121.297 -3.807 18099 3368 1 5 . 1 1 44 44 PHE C C 21 175.465 175.465 175.466 -0.001 18099 3369 1 5 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.566 -1.756 18099 3370 1 5 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.132 -1.827 18099 3371 1 5 . 1 1 44 44 PHE H H 21 7.686 7.686 8.100 -0.414 18099 3372 1 5 . 1 1 45 45 LEU N N 22 120.260 120.260 120.678 -0.418 18099 3373 1 5 . 1 1 45 45 LEU C C 22 177.017 177.017 176.905 0.112 18099 3374 1 5 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.934 0.078 18099 3375 1 5 . 1 1 45 45 LEU CB C 22 43.157 43.157 40.889 2.268 18099 3376 1 5 . 1 1 45 45 LEU H H 22 7.350 7.350 7.711 -0.361 18099 3377 1 5 . 1 1 46 46 THR N N 23 111.076 111.076 118.053 -6.977 18099 3378 1 5 . 1 1 46 46 THR C C 23 176.002 176.002 174.746 1.256 18099 3379 1 5 . 1 1 46 46 THR CA C 23 60.468 60.468 61.827 -1.359 18099 3380 1 5 . 1 1 46 46 THR CB C 23 71.212 71.212 70.046 1.166 18099 3381 1 5 . 1 1 46 46 THR H H 23 8.666 8.666 8.169 0.497 18099 3382 1 5 . 1 1 47 47 LYS N N 24 120.260 120.260 118.659 1.601 18099 3383 1 5 . 1 1 47 47 LYS C C 24 178.231 178.231 178.624 -0.393 18099 3384 1 5 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.407 3.142 18099 3385 1 5 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.562 -2.144 18099 3386 1 5 . 1 1 47 47 LYS H H 24 8.598 8.598 8.327 0.271 18099 3387 1 5 . 1 1 48 48 GLN N N 25 116.324 116.324 121.421 -5.097 18099 3388 1 5 . 1 1 48 48 GLN C C 25 179.047 179.047 177.980 1.067 18099 3389 1 5 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.275 -0.314 18099 3390 1 5 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.673 -1.400 18099 3391 1 5 . 1 1 48 48 GLN H H 25 8.390 8.390 8.530 -0.140 18099 3392 1 5 . 1 1 49 49 GLU N N 26 119.677 119.677 120.235 -0.558 18099 3393 1 5 . 1 1 49 49 GLU C C 26 179.804 179.804 179.476 0.328 18099 3394 1 5 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.471 -0.402 18099 3395 1 5 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.591 0.734 18099 3396 1 5 . 1 1 49 49 GLU H H 26 7.644 7.644 7.915 -0.271 18099 3397 1 5 . 1 1 50 50 ILE N N 27 123.613 123.613 119.018 4.595 18099 3398 1 5 . 1 1 50 50 ILE C C 27 177.634 177.634 178.070 -0.436 18099 3399 1 5 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.712 2.597 18099 3400 1 5 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.743 0.329 18099 3401 1 5 . 1 1 50 50 ILE H H 27 8.344 8.344 7.569 0.775 18099 3402 1 5 . 1 1 51 51 LEU N N 28 120.697 120.697 122.588 -1.891 18099 3403 1 5 . 1 1 51 51 LEU C C 28 180.620 180.620 178.793 1.827 18099 3404 1 5 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.164 -0.063 18099 3405 1 5 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.668 -0.922 18099 3406 1 5 . 1 1 51 51 LEU H H 28 8.046 8.046 8.029 0.017 18099 3407 1 5 . 1 1 52 52 LEU N N 29 121.426 121.426 120.122 1.304 18099 3408 1 5 . 1 1 52 52 LEU C C 29 178.968 178.968 178.465 0.503 18099 3409 1 5 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.596 0.074 18099 3410 1 5 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.316 -0.744 18099 3411 1 5 . 1 1 52 52 LEU H H 29 7.998 7.998 8.255 -0.257 18099 3412 1 5 . 1 1 53 53 ALA N N 30 122.447 122.447 121.310 1.137 18099 3413 1 5 . 1 1 53 53 ALA C C 30 179.804 179.804 179.383 0.421 18099 3414 1 5 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.223 -0.027 18099 3415 1 5 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.062 0.042 18099 3416 1 5 . 1 1 53 53 ALA H H 30 8.380 8.380 8.262 0.118 18099 3417 1 5 . 1 1 54 54 HIS N N 31 118.656 118.656 119.374 -0.718 18099 3418 1 5 . 1 1 54 54 HIS C C 31 177.475 177.475 177.464 0.011 18099 3419 1 5 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.425 2.334 18099 3420 1 5 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.044 0.575 18099 3421 1 5 . 1 1 54 54 HIS H H 31 8.760 8.760 8.455 0.305 18099 3422 1 5 . 1 1 55 55 ARG N N 32 121.135 121.135 118.761 2.374 18099 3423 1 5 . 1 1 55 55 ARG C C 32 179.366 179.366 178.492 0.874 18099 3424 1 5 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.240 0.367 18099 3425 1 5 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.910 -0.945 18099 3426 1 5 . 1 1 55 55 ARG H H 32 7.926 7.926 7.739 0.187 18099 3427 1 5 . 1 1 56 56 ARG N N 33 118.219 118.219 118.397 -0.178 18099 3428 1 5 . 1 1 56 56 ARG C C 33 178.669 178.669 178.994 -0.325 18099 3429 1 5 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.203 -0.055 18099 3430 1 5 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.902 -0.744 18099 3431 1 5 . 1 1 56 56 ARG H H 33 8.302 8.302 7.492 0.810 18099 3432 1 5 . 1 1 57 57 PHE N N 34 120.989 120.989 117.503 3.486 18099 3433 1 5 . 1 1 57 57 PHE C C 34 177.435 177.435 177.529 -0.094 18099 3434 1 5 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.091 1.130 18099 3435 1 5 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.518 1.031 18099 3436 1 5 . 1 1 57 57 PHE H H 34 8.675 8.675 7.950 0.725 18099 3437 1 5 . 1 1 58 58 CYS N N 35 114.283 114.283 118.511 -4.228 18099 3438 1 5 . 1 1 58 58 CYS C C 35 176.958 176.958 176.778 0.180 18099 3439 1 5 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.304 2.499 18099 3440 1 5 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.427 0.189 18099 3441 1 5 . 1 1 58 58 CYS H H 35 8.147 8.147 7.805 0.342 18099 3442 1 5 . 1 1 59 59 GLU N N 36 116.615 116.615 119.371 -2.756 18099 3443 1 5 . 1 1 59 59 GLU C C 36 177.276 177.276 177.622 -0.346 18099 3444 1 5 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.722 -0.836 18099 3445 1 5 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.471 -0.838 18099 3446 1 5 . 1 1 59 59 GLU H H 36 7.237 7.237 7.545 -0.308 18099 3447 1 5 . 1 1 60 60 LEU N N 37 116.615 116.615 117.513 -0.898 18099 3448 1 5 . 1 1 60 60 LEU C C 37 176.778 176.778 177.442 -0.664 18099 3449 1 5 . 1 1 60 60 LEU CA C 37 54.120 54.120 56.179 -2.059 18099 3450 1 5 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.192 -1.433 18099 3451 1 5 . 1 1 60 60 LEU H H 37 7.188 7.188 7.452 -0.264 18099 3452 1 5 . 1 1 61 61 LEU N N 38 119.531 119.531 119.105 0.426 18099 3453 1 5 . 1 1 61 61 LEU C C 38 174.848 174.848 174.672 0.176 18099 3454 1 5 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.744 0.009 18099 3455 1 5 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.564 -1.846 18099 3456 1 5 . 1 1 61 61 LEU H H 38 7.060 7.060 7.282 -0.222 18099 3457 1 5 . 1 1 63 63 GLN C C 40 177.754 177.754 178.270 -0.516 18099 3458 1 5 . 1 1 63 63 GLN CA C 40 59.266 59.266 58.984 0.282 18099 3459 1 5 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.285 -0.445 18099 3460 1 5 . 1 1 64 64 GLU N N 41 117.053 117.053 117.795 -0.742 18099 3461 1 5 . 1 1 64 64 GLU C C 41 177.276 177.276 177.810 -0.534 18099 3462 1 5 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.268 -0.060 18099 3463 1 5 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.290 -1.384 18099 3464 1 5 . 1 1 64 64 GLU H H 41 9.287 9.287 8.556 0.731 18099 3465 1 5 . 1 1 65 65 GLN N N 42 119.094 119.094 117.637 1.457 18099 3466 1 5 . 1 1 65 65 GLN C C 42 174.171 174.171 176.067 -1.896 18099 3467 1 5 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.009 -0.244 18099 3468 1 5 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.424 0.845 18099 3469 1 5 . 1 1 65 65 GLN H H 42 8.006 8.006 7.637 0.369 18099 3470 1 5 . 1 1 66 66 ARG N N 43 115.157 115.157 119.285 -4.128 18099 3471 1 5 . 1 1 66 66 ARG C C 43 176.221 176.221 176.078 0.143 18099 3472 1 5 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.066 0.066 18099 3473 1 5 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.425 -1.247 18099 3474 1 5 . 1 1 66 66 ARG H H 43 7.039 7.039 7.455 -0.416 18099 3475 1 5 . 1 1 67 67 SER N N 44 114.720 114.720 115.853 -1.133 18099 3476 1 5 . 1 1 67 67 SER C C 44 175.505 175.505 175.957 -0.452 18099 3477 1 5 . 1 1 67 67 SER CA C 44 57.532 57.532 58.775 -1.243 18099 3478 1 5 . 1 1 67 67 SER CB C 44 63.911 63.911 63.653 0.258 18099 3479 1 5 . 1 1 67 67 SER H H 44 7.641 7.641 7.939 -0.298 18099 3480 1 5 . 1 1 68 68 VAL C C 45 178.271 178.271 177.594 0.677 18099 3481 1 5 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.443 1.893 18099 3482 1 5 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.974 -1.563 18099 3483 1 5 . 1 1 69 69 GLU N N 46 118.365 118.365 118.675 -0.310 18099 3484 1 5 . 1 1 69 69 GLU C C 46 179.187 179.187 177.881 1.306 18099 3485 1 5 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.107 0.608 18099 3486 1 5 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.150 -0.938 18099 3487 1 5 . 1 1 69 69 GLU H H 46 8.862 8.862 8.767 0.095 18099 3488 1 5 . 1 1 70 70 SER N N 47 114.137 114.137 113.319 0.818 18099 3489 1 5 . 1 1 70 70 SER C C 47 178.251 178.251 175.822 2.429 18099 3490 1 5 . 1 1 70 70 SER CA C 47 61.113 61.113 60.732 0.381 18099 3491 1 5 . 1 1 70 70 SER CB C 47 62.543 62.543 63.939 -1.396 18099 3492 1 5 . 1 1 70 70 SER H H 47 7.588 7.588 7.614 -0.026 18099 3493 1 5 . 1 1 71 71 SER N N 48 121.280 121.280 119.175 2.105 18099 3494 1 5 . 1 1 71 71 SER C C 48 176.102 176.102 175.810 0.292 18099 3495 1 5 . 1 1 71 71 SER CA C 48 61.544 61.544 61.137 0.407 18099 3496 1 5 . 1 1 71 71 SER CB C 48 63.348 63.348 63.293 0.055 18099 3497 1 5 . 1 1 71 71 SER H H 48 8.785 8.785 7.846 0.939 18099 3498 1 5 . 1 1 72 72 LEU N N 49 120.551 120.551 120.347 0.204 18099 3499 1 5 . 1 1 72 72 LEU C C 49 177.555 177.555 178.822 -1.267 18099 3500 1 5 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.587 -0.423 18099 3501 1 5 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.302 -2.122 18099 3502 1 5 . 1 1 72 72 LEU H H 49 7.216 7.216 8.134 -0.918 18099 3503 1 5 . 1 1 73 73 ARG N N 50 116.469 116.469 118.088 -1.619 18099 3504 1 5 . 1 1 73 73 ARG C C 50 175.942 175.942 175.902 0.040 18099 3505 1 5 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.338 -1.573 18099 3506 1 5 . 1 1 73 73 ARG CB C 50 30.681 30.681 30.892 -0.211 18099 3507 1 5 . 1 1 73 73 ARG H H 50 7.394 7.394 7.885 -0.491 18099 3508 1 5 . 1 1 74 74 ALA N N 51 123.904 123.904 121.544 2.360 18099 3509 1 5 . 1 1 74 74 ALA C C 51 176.778 176.778 175.902 0.876 18099 3510 1 5 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.131 1.160 18099 3511 1 5 . 1 1 74 74 ALA CB C 51 21.048 21.048 20.997 0.051 18099 3512 1 5 . 1 1 74 74 ALA H H 51 7.263 7.263 7.658 -0.395 18099 3513 1 5 . 1 1 75 75 GLN N N 52 118.073 118.073 119.328 -1.255 18099 3514 1 5 . 1 1 75 75 GLN C C 52 175.524 175.524 175.489 0.035 18099 3515 1 5 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.109 -1.312 18099 3516 1 5 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.262 -0.046 18099 3517 1 5 . 1 1 75 75 GLN H H 52 8.283 8.283 8.377 -0.094 18099 3518 1 5 . 1 1 76 76 VAL N N 53 124.925 124.925 121.296 3.629 18099 3519 1 5 . 1 1 76 76 VAL C C 53 173.753 173.753 173.957 -0.204 18099 3520 1 5 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.824 0.030 18099 3521 1 5 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.530 0.492 18099 3522 1 5 . 1 1 76 76 VAL H H 53 9.093 9.093 8.172 0.921 18099 3523 1 5 . 1 1 77 77 PRO C C 54 178.132 178.132 177.251 0.881 18099 3524 1 5 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.375 -1.204 18099 3525 1 5 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.294 -0.038 18099 3526 1 5 . 1 1 78 78 PHE N N 55 120.406 120.406 122.748 -2.342 18099 3527 1 5 . 1 1 78 78 PHE C C 55 177.236 177.236 177.018 0.218 18099 3528 1 5 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.494 -4.608 18099 3529 1 5 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.605 -3.338 18099 3530 1 5 . 1 1 78 78 PHE H H 55 7.897 7.897 9.050 -1.153 18099 3531 1 5 . 1 1 79 79 GLU N N 56 117.636 117.636 117.702 -0.066 18099 3532 1 5 . 1 1 79 79 GLU C C 56 178.410 178.410 178.210 0.200 18099 3533 1 5 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.677 0.468 18099 3534 1 5 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.279 0.098 18099 3535 1 5 . 1 1 79 79 GLU H H 56 9.202 9.202 8.664 0.538 18099 3536 1 5 . 1 1 80 80 GLN N N 57 114.429 114.429 117.643 -3.214 18099 3537 1 5 . 1 1 80 80 GLN C C 57 178.012 178.012 178.263 -0.251 18099 3538 1 5 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.516 -1.169 18099 3539 1 5 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.083 1.270 18099 3540 1 5 . 1 1 80 80 GLN H H 57 7.332 7.332 8.575 -1.243 18099 3541 1 5 . 1 1 81 81 ILE N N 58 120.989 120.989 118.225 2.764 18099 3542 1 5 . 1 1 81 81 ILE C C 58 177.236 177.236 178.520 -1.284 18099 3543 1 5 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.206 -1.415 18099 3544 1 5 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.301 -1.009 18099 3545 1 5 . 1 1 81 81 ILE H H 58 7.375 7.375 7.505 -0.131 18099 3546 1 5 . 1 1 82 82 LEU N N 59 116.469 116.469 117.207 -0.738 18099 3547 1 5 . 1 1 82 82 LEU C C 59 176.360 176.360 176.564 -0.204 18099 3548 1 5 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.414 -0.035 18099 3549 1 5 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.586 -0.911 18099 3550 1 5 . 1 1 82 82 LEU H H 59 8.144 8.144 7.227 0.917 18099 3551 1 5 . 1 1 83 83 SER N N 60 110.347 110.347 113.340 -2.993 18099 3552 1 5 . 1 1 83 83 SER C C 60 174.708 174.708 175.208 -0.500 18099 3553 1 5 . 1 1 83 83 SER CA C 60 58.316 58.316 59.126 -0.810 18099 3554 1 5 . 1 1 83 83 SER CB C 60 64.074 64.074 62.894 1.180 18099 3555 1 5 . 1 1 83 83 SER H H 60 7.038 7.038 7.342 -0.304 18099 3556 1 5 . 1 1 84 84 LEU N N 61 124.633 124.633 122.850 1.783 18099 3557 1 5 . 1 1 84 84 LEU C C 61 176.599 176.599 174.696 1.903 18099 3558 1 5 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.128 1.561 18099 3559 1 5 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.629 -3.225 18099 3560 1 5 . 1 1 84 84 LEU H H 61 7.674 7.674 7.143 0.531 18099 3561 1 5 . 1 1 85 85 PRO C C 62 178.457 178.457 178.715 -0.258 18099 3562 1 5 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.292 0.036 18099 3563 1 5 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.897 -0.987 18099 3564 1 5 . 1 1 86 86 GLU N N 63 117.198 117.198 118.180 -0.982 18099 3565 1 5 . 1 1 86 86 GLU C C 63 176.280 176.280 179.230 -2.950 18099 3566 1 5 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.332 0.362 18099 3567 1 5 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.186 -1.462 18099 3568 1 5 . 1 1 86 86 GLU H H 63 10.005 10.005 8.804 1.201 18099 3569 1 5 . 1 1 87 87 LEU N N 64 115.595 115.595 119.182 -3.587 18099 3570 1 5 . 1 1 87 87 LEU C C 64 178.197 178.197 179.141 -0.944 18099 3571 1 5 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.349 -2.088 18099 3572 1 5 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.593 2.201 18099 3573 1 5 . 1 1 87 87 LEU H H 64 7.347 7.347 8.004 -0.657 18099 3574 1 5 . 1 1 88 88 LYS N N 65 119.677 119.677 121.363 -1.686 18099 3575 1 5 . 1 1 88 88 LYS C C 65 176.891 176.891 177.874 -0.983 18099 3576 1 5 . 1 1 88 88 LYS CA C 65 59.957 59.957 59.052 0.905 18099 3577 1 5 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.445 -0.915 18099 3578 1 5 . 1 1 88 88 LYS H H 65 7.841 7.841 7.591 0.250 18099 3579 1 5 . 1 1 89 89 ALA C C 66 176.503 176.503 177.383 -0.880 18099 3580 1 5 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.333 -2.506 18099 3581 1 5 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.733 -0.638 18099 3582 1 5 . 1 1 90 90 ASN N N 67 123.467 123.467 117.907 5.560 18099 3583 1 5 . 1 1 90 90 ASN C C 67 175.955 175.955 174.488 1.467 18099 3584 1 5 . 1 1 90 90 ASN CA C 67 50.930 50.930 49.692 1.238 18099 3585 1 5 . 1 1 90 90 ASN CB C 67 40.190 40.190 37.824 2.366 18099 3586 1 5 . 1 1 90 90 ASN H H 67 7.847 7.847 7.439 0.408 18099 3587 1 5 . 1 1 91 91 PRO C C 68 176.918 176.918 175.897 1.021 18099 3588 1 5 . 1 1 91 91 PRO CA C 68 63.893 63.893 64.391 -0.499 18099 3589 1 5 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.512 -0.160 18099 3590 1 5 . 1 1 92 92 PHE N N 69 116.178 116.178 113.102 3.076 18099 3591 1 5 . 1 1 92 92 PHE C C 69 176.977 176.977 176.197 0.780 18099 3592 1 5 . 1 1 92 92 PHE CA C 69 56.917 56.917 57.097 -0.180 18099 3593 1 5 . 1 1 92 92 PHE CB C 69 38.077 38.077 37.920 0.157 18099 3594 1 5 . 1 1 92 92 PHE H H 69 9.006 9.006 7.766 1.240 18099 3595 1 5 . 1 1 93 93 LYS N N 70 119.385 119.385 121.292 -1.907 18099 3596 1 5 . 1 1 93 93 LYS C C 70 175.982 175.982 177.950 -1.968 18099 3597 1 5 . 1 1 93 93 LYS CA C 70 60.468 60.468 60.553 -0.085 18099 3598 1 5 . 1 1 93 93 LYS CB C 70 31.026 31.026 31.863 -0.837 18099 3599 1 5 . 1 1 93 93 LYS H H 70 7.693 7.693 8.387 -0.694 18099 3600 1 5 . 1 1 94 94 GLU N N 71 120.406 120.406 119.738 0.668 18099 3601 1 5 . 1 1 94 94 GLU C C 71 179.007 179.007 179.134 -0.127 18099 3602 1 5 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.443 1.133 18099 3603 1 5 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.259 -1.177 18099 3604 1 5 . 1 1 94 94 GLU H H 71 8.549 8.549 8.612 -0.063 18099 3605 1 5 . 1 1 95 95 ARG N N 72 119.677 119.677 119.445 0.232 18099 3606 1 5 . 1 1 95 95 ARG C C 72 178.112 178.112 178.952 -0.840 18099 3607 1 5 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.146 -2.659 18099 3608 1 5 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.315 -1.608 18099 3609 1 5 . 1 1 95 95 ARG H H 72 7.495 7.495 7.751 -0.256 18099 3610 1 5 . 1 1 96 96 ILE N N 73 119.094 119.094 121.397 -2.303 18099 3611 1 5 . 1 1 96 96 ILE C C 73 177.276 177.276 177.678 -0.402 18099 3612 1 5 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.755 0.308 18099 3613 1 5 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.911 -0.682 18099 3614 1 5 . 1 1 96 96 ILE H H 73 8.535 8.535 9.036 -0.501 18099 3615 1 5 . 1 1 97 97 CYS N N 74 115.157 115.157 117.243 -2.086 18099 3616 1 5 . 1 1 97 97 CYS C C 74 174.848 174.848 176.887 -2.039 18099 3617 1 5 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.248 2.846 18099 3618 1 5 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.628 -2.062 18099 3619 1 5 . 1 1 97 97 CYS H H 74 7.235 7.235 7.856 -0.621 18099 3620 1 5 . 1 1 98 98 ARG N N 75 115.886 115.886 121.450 -5.564 18099 3621 1 5 . 1 1 98 98 ARG C C 75 178.470 178.470 177.888 0.582 18099 3622 1 5 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.542 -0.043 18099 3623 1 5 . 1 1 98 98 ARG CB C 75 29.299 29.299 29.984 -0.685 18099 3624 1 5 . 1 1 98 98 ARG H H 75 7.136 7.136 7.617 -0.481 18099 3625 1 5 . 1 1 99 99 VAL N N 76 117.198 117.198 117.536 -0.338 18099 3626 1 5 . 1 1 99 99 VAL C C 76 177.236 177.236 177.534 -0.298 18099 3627 1 5 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.632 -0.645 18099 3628 1 5 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.770 -0.923 18099 3629 1 5 . 1 1 99 99 VAL H H 76 8.043 8.043 8.121 -0.078 18099 3630 1 5 . 1 1 100 100 PHE N N 77 115.595 115.595 118.455 -2.860 18099 3631 1 5 . 1 1 100 100 PHE C C 77 175.007 175.007 175.685 -0.678 18099 3632 1 5 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.109 1.359 18099 3633 1 5 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.425 -1.639 18099 3634 1 5 . 1 1 100 100 PHE H H 77 7.436 7.436 7.705 -0.269 18099 3635 1 5 . 1 1 101 101 SER N N 78 112.533 112.533 113.674 -1.141 18099 3636 1 5 . 1 1 101 101 SER C C 78 177.156 177.156 174.722 2.434 18099 3637 1 5 . 1 1 101 101 SER CA C 78 58.639 58.639 58.517 0.122 18099 3638 1 5 . 1 1 101 101 SER CB C 78 64.208 64.208 64.528 -0.321 18099 3639 1 5 . 1 1 101 101 SER H H 78 7.156 7.156 8.022 -0.866 18099 3640 1 5 . 1 1 102 102 THR N N 79 120.551 120.551 118.697 1.854 18099 3641 1 5 . 1 1 102 102 THR C C 79 175.763 175.763 173.731 2.032 18099 3642 1 5 . 1 1 102 102 THR CA C 79 61.328 61.328 60.778 0.550 18099 3643 1 5 . 1 1 102 102 THR CB C 79 68.647 68.647 68.637 0.010 18099 3644 1 5 . 1 1 102 102 THR H H 79 9.267 9.267 8.624 0.643 18099 3645 1 5 . 1 1 103 103 SER N N 80 121.280 121.280 120.069 1.211 18099 3646 1 5 . 1 1 103 103 SER C C 80 175.743 175.743 173.216 2.527 18099 3647 1 5 . 1 1 103 103 SER CA C 80 56.164 56.164 55.714 0.450 18099 3648 1 5 . 1 1 103 103 SER CB C 80 63.221 63.221 64.263 -1.042 18099 3649 1 5 . 1 1 103 103 SER H H 80 8.120 8.120 8.056 0.064 18099 3650 1 5 . 1 1 104 104 PRO C C 81 177.654 177.654 176.395 1.259 18099 3651 1 5 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.313 1.086 18099 3652 1 5 . 1 1 104 104 PRO CB C 81 31.382 31.382 31.942 -0.560 18099 3653 1 5 . 1 1 105 105 ALA N N 82 117.927 117.927 119.826 -1.899 18099 3654 1 5 . 1 1 105 105 ALA C C 82 177.077 177.077 176.502 0.575 18099 3655 1 5 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.309 0.121 18099 3656 1 5 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.588 -1.565 18099 3657 1 5 . 1 1 105 105 ALA H H 82 7.961 7.961 8.094 -0.133 18099 3658 1 5 . 1 1 106 106 LYS N N 83 115.449 115.449 114.675 0.774 18099 3659 1 5 . 1 1 106 106 LYS C C 83 175.206 175.206 175.100 0.106 18099 3660 1 5 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.811 -0.970 18099 3661 1 5 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.780 -1.321 18099 3662 1 5 . 1 1 106 106 LYS H H 83 7.984 7.984 8.022 -0.038 18099 3663 1 5 . 1 1 107 107 ASP N N 84 112.242 112.242 114.558 -2.316 18099 3664 1 5 . 1 1 107 107 ASP C C 84 175.823 175.823 175.870 -0.047 18099 3665 1 5 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.230 -1.939 18099 3666 1 5 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.995 -0.399 18099 3667 1 5 . 1 1 107 107 ASP H H 84 7.670 7.670 8.158 -0.488 18099 3668 1 5 . 1 1 108 108 SER N N 85 113.554 113.554 113.381 0.173 18099 3669 1 5 . 1 1 108 108 SER C C 85 172.897 172.897 172.961 -0.064 18099 3670 1 5 . 1 1 108 108 SER CA C 85 57.132 57.132 57.323 -0.191 18099 3671 1 5 . 1 1 108 108 SER CB C 85 65.347 65.347 66.065 -0.718 18099 3672 1 5 . 1 1 108 108 SER H H 85 7.271 7.271 7.438 -0.167 18099 3673 1 5 . 1 1 109 109 LEU N N 86 121.426 121.426 121.243 0.183 18099 3674 1 5 . 1 1 109 109 LEU C C 86 176.400 176.400 176.065 0.335 18099 3675 1 5 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.306 0.244 18099 3676 1 5 . 1 1 109 109 LEU CB C 86 44.020 44.020 46.083 -2.063 18099 3677 1 5 . 1 1 109 109 LEU H H 86 9.179 9.179 8.058 1.121 18099 3678 1 5 . 1 1 110 110 SER N N 87 117.927 117.927 117.422 0.505 18099 3679 1 5 . 1 1 110 110 SER C C 87 174.808 174.808 175.572 -0.764 18099 3680 1 5 . 1 1 110 110 SER CA C 87 56.056 56.056 56.394 -0.338 18099 3681 1 5 . 1 1 110 110 SER CB C 87 65.644 65.644 64.539 1.105 18099 3682 1 5 . 1 1 110 110 SER H H 87 8.305 8.305 8.713 -0.408 18099 3683 1 5 . 1 1 111 111 PHE N N 88 122.592 122.592 124.445 -1.853 18099 3684 1 5 . 1 1 111 111 PHE C C 88 176.798 176.798 176.799 -0.001 18099 3685 1 5 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.973 1.495 18099 3686 1 5 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.045 -0.885 18099 3687 1 5 . 1 1 111 111 PHE H H 88 9.850 9.850 8.932 0.918 18099 3688 1 5 . 1 1 112 112 GLU N N 89 117.782 117.782 120.739 -2.957 18099 3689 1 5 . 1 1 112 112 GLU C C 89 178.490 178.490 178.383 0.107 18099 3690 1 5 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.469 0.676 18099 3691 1 5 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.648 -0.600 18099 3692 1 5 . 1 1 112 112 GLU H H 89 8.233 8.233 6.901 1.332 18099 3693 1 5 . 1 1 113 113 ASP N N 90 121.572 121.572 119.688 1.884 18099 3694 1 5 . 1 1 113 113 ASP C C 90 177.714 177.714 178.736 -1.022 18099 3695 1 5 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.335 -0.310 18099 3696 1 5 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.497 1.202 18099 3697 1 5 . 1 1 113 113 ASP H H 90 7.691 7.691 8.134 -0.443 18099 3698 1 5 . 1 1 114 114 PHE N N 91 121.135 121.135 120.522 0.613 18099 3699 1 5 . 1 1 114 114 PHE C C 91 176.460 176.460 177.289 -0.829 18099 3700 1 5 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.329 -1.292 18099 3701 1 5 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.262 -0.061 18099 3702 1 5 . 1 1 114 114 PHE H H 91 8.214 8.214 7.829 0.385 18099 3703 1 5 . 1 1 115 115 LEU N N 92 118.365 118.365 120.001 -1.636 18099 3704 1 5 . 1 1 115 115 LEU C C 92 179.187 179.187 178.291 0.896 18099 3705 1 5 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.938 -0.806 18099 3706 1 5 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.642 -1.367 18099 3707 1 5 . 1 1 115 115 LEU H H 92 8.189 8.189 8.056 0.133 18099 3708 1 5 . 1 1 116 116 ASP N N 93 120.843 120.843 120.083 0.760 18099 3709 1 5 . 1 1 116 116 ASP C C 93 177.336 177.336 178.813 -1.477 18099 3710 1 5 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.794 -0.554 18099 3711 1 5 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.619 -0.755 18099 3712 1 5 . 1 1 116 116 ASP H H 93 7.640 7.640 8.105 -0.465 18099 3713 1 5 . 1 1 117 117 LEU N N 94 122.447 122.447 121.150 1.297 18099 3714 1 5 . 1 1 117 117 LEU C C 94 177.853 177.853 177.934 -0.081 18099 3715 1 5 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.715 -0.152 18099 3716 1 5 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.121 -0.452 18099 3717 1 5 . 1 1 117 117 LEU H H 94 7.480 7.480 7.505 -0.025 18099 3718 1 5 . 1 1 118 118 LEU N N 95 116.907 116.907 119.528 -2.621 18099 3719 1 5 . 1 1 118 118 LEU C C 95 180.923 180.923 178.814 2.109 18099 3720 1 5 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.837 -0.597 18099 3721 1 5 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.286 -0.958 18099 3722 1 5 . 1 1 118 118 LEU H H 95 7.892 7.892 7.457 0.435 18099 3723 1 5 . 1 1 119 119 SER N N 96 116.032 116.032 114.431 1.601 18099 3724 1 5 . 1 1 119 119 SER C C 96 176.343 176.343 177.017 -0.674 18099 3725 1 5 . 1 1 119 119 SER H H 96 8.410 8.410 7.753 0.657 18099 3726 1 5 . 1 1 120 120 VAL N N 97 119.385 119.385 121.692 -2.307 18099 3727 1 5 . 1 1 120 120 VAL C C 97 176.280 176.280 177.573 -1.293 18099 3728 1 5 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.483 -1.457 18099 3729 1 5 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.798 -1.747 18099 3730 1 5 . 1 1 120 120 VAL H H 97 7.255 7.255 8.115 -0.860 18099 3731 1 5 . 1 1 121 121 PHE N N 98 116.761 116.761 116.112 0.649 18099 3732 1 5 . 1 1 121 121 PHE C C 98 176.206 176.206 175.933 0.273 18099 3733 1 5 . 1 1 121 121 PHE CA C 98 60.197 60.197 58.804 1.393 18099 3734 1 5 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.128 -0.234 18099 3735 1 5 . 1 1 121 121 PHE H H 98 7.151 7.151 8.233 -1.082 18099 3736 1 5 . 1 1 122 122 SER N N 99 115.449 115.449 114.906 0.543 18099 3737 1 5 . 1 1 122 122 SER C C 99 177.006 177.006 175.194 1.812 18099 3738 1 5 . 1 1 122 122 SER CA C 99 58.486 58.486 60.388 -1.902 18099 3739 1 5 . 1 1 122 122 SER CB C 99 63.834 63.834 64.242 -0.408 18099 3740 1 5 . 1 1 122 122 SER H H 99 7.270 7.270 7.530 -0.260 18099 3741 1 5 . 1 1 123 123 ASP C C 100 177.042 177.042 177.403 -0.361 18099 3742 1 5 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.184 0.995 18099 3743 1 5 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.679 -2.443 18099 3744 1 5 . 1 1 124 124 THR N N 101 111.076 111.076 116.499 -5.423 18099 3745 1 5 . 1 1 124 124 THR C C 101 174.909 174.909 175.061 -0.152 18099 3746 1 5 . 1 1 124 124 THR CA C 101 62.052 62.052 64.536 -2.484 18099 3747 1 5 . 1 1 124 124 THR CB C 101 68.486 68.486 68.985 -0.499 18099 3748 1 5 . 1 1 124 124 THR H H 101 8.147 8.147 7.797 0.350 18099 3749 1 5 . 1 1 125 125 ALA N N 102 124.196 124.196 124.911 -0.715 18099 3750 1 5 . 1 1 125 125 ALA C C 102 176.760 176.760 176.772 -0.012 18099 3751 1 5 . 1 1 125 125 ALA CA C 102 51.503 51.503 51.940 -0.437 18099 3752 1 5 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.821 0.471 18099 3753 1 5 . 1 1 125 125 ALA H H 102 6.801 6.801 7.403 -0.602 18099 3754 1 5 . 1 1 126 126 THR N N 103 111.513 111.513 116.910 -5.397 18099 3755 1 5 . 1 1 126 126 THR C C 103 173.925 173.925 174.334 -0.409 18099 3756 1 5 . 1 1 126 126 THR CA C 103 59.311 59.311 59.323 -0.012 18099 3757 1 5 . 1 1 126 126 THR CB C 103 67.581 67.581 68.771 -1.190 18099 3758 1 5 . 1 1 126 126 THR H H 103 6.254 6.254 7.637 -1.383 18099 3759 1 5 . 1 1 127 127 PRO C C 104 178.402 178.402 178.518 -0.116 18099 3760 1 5 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.359 -1.224 18099 3761 1 5 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.630 -1.081 18099 3762 1 5 . 1 1 128 128 ASP N N 105 116.469 116.469 115.995 0.474 18099 3763 1 5 . 1 1 128 128 ASP C C 105 178.059 178.059 178.471 -0.412 18099 3764 1 5 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.096 -0.228 18099 3765 1 5 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.285 -0.939 18099 3766 1 5 . 1 1 128 128 ASP H H 105 8.341 8.341 8.618 -0.277 18099 3767 1 5 . 1 1 129 129 ILE N N 106 122.738 122.738 119.208 3.530 18099 3768 1 5 . 1 1 129 129 ILE C C 106 178.111 178.111 178.212 -0.101 18099 3769 1 5 . 1 1 129 129 ILE CA C 106 63.250 63.250 61.785 1.465 18099 3770 1 5 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.489 0.260 18099 3771 1 5 . 1 1 129 129 ILE H H 106 7.443 7.443 7.514 -0.071 18099 3772 1 5 . 1 1 130 130 LYS N N 107 119.677 119.677 121.417 -1.740 18099 3773 1 5 . 1 1 130 130 LYS C C 107 178.667 178.667 179.102 -0.435 18099 3774 1 5 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.438 -0.385 18099 3775 1 5 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.501 0.560 18099 3776 1 5 . 1 1 130 130 LYS H H 107 7.599 7.599 8.736 -1.137 18099 3777 1 5 . 1 1 131 131 SER N N 108 113.117 113.117 115.435 -2.318 18099 3778 1 5 . 1 1 131 131 SER C C 108 175.513 175.513 176.724 -1.211 18099 3779 1 5 . 1 1 131 131 SER CA C 108 61.857 61.857 61.719 0.138 18099 3780 1 5 . 1 1 131 131 SER CB C 108 63.068 63.068 62.351 0.717 18099 3781 1 5 . 1 1 131 131 SER H H 108 8.470 8.470 7.971 0.499 18099 3782 1 5 . 1 1 132 132 HIS N N 109 123.175 123.175 123.726 -0.551 18099 3783 1 5 . 1 1 132 132 HIS C C 109 178.143 178.143 177.645 0.498 18099 3784 1 5 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.486 -1.214 18099 3785 1 5 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.079 -0.200 18099 3786 1 5 . 1 1 132 132 HIS H H 109 7.991 7.991 7.768 0.223 18099 3787 1 5 . 1 1 133 133 TYR N N 110 115.595 115.595 117.909 -2.314 18099 3788 1 5 . 1 1 133 133 TYR C C 110 177.946 177.946 177.536 0.410 18099 3789 1 5 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.097 2.378 18099 3790 1 5 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.872 -0.115 18099 3791 1 5 . 1 1 133 133 TYR H H 110 8.060 8.060 8.343 -0.283 18099 3792 1 5 . 1 1 134 134 ALA N N 111 122.009 122.009 121.901 0.108 18099 3793 1 5 . 1 1 134 134 ALA C C 111 175.937 175.937 178.611 -2.674 18099 3794 1 5 . 1 1 134 134 ALA CA C 111 55.194 55.194 54.614 0.580 18099 3795 1 5 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.587 0.211 18099 3796 1 5 . 1 1 134 134 ALA H H 111 8.293 8.293 7.788 0.505 18099 3797 1 5 . 1 1 135 135 PHE N N 112 116.615 116.615 119.622 -3.007 18099 3798 1 5 . 1 1 135 135 PHE C C 112 175.710 175.710 177.084 -1.374 18099 3799 1 5 . 1 1 135 135 PHE CA C 112 61.706 61.706 60.412 1.294 18099 3800 1 5 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.404 -0.265 18099 3801 1 5 . 1 1 135 135 PHE H H 112 7.589 7.589 7.716 -0.127 18099 3802 1 5 . 1 1 136 136 ARG N N 113 113.262 113.262 119.114 -5.852 18099 3803 1 5 . 1 1 136 136 ARG C C 113 179.471 179.471 178.683 0.788 18099 3804 1 5 . 1 1 136 136 ARG CA C 113 58.196 58.196 58.963 -0.767 18099 3805 1 5 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.108 -1.134 18099 3806 1 5 . 1 1 136 136 ARG H H 113 7.090 7.090 7.415 -0.325 18099 3807 1 5 . 1 1 137 137 ILE N N 114 120.843 120.843 119.680 1.163 18099 3808 1 5 . 1 1 137 137 ILE C C 114 176.198 176.198 177.715 -1.517 18099 3809 1 5 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.725 -0.303 18099 3810 1 5 . 1 1 137 137 ILE CB C 114 35.688 35.688 37.693 -2.005 18099 3811 1 5 . 1 1 137 137 ILE H H 114 7.703 7.703 7.778 -0.075 18099 3812 1 5 . 1 1 138 138 PHE N N 115 117.636 117.636 117.369 0.267 18099 3813 1 5 . 1 1 138 138 PHE C C 115 173.157 173.157 176.202 -3.045 18099 3814 1 5 . 1 1 138 138 PHE CA C 115 54.471 54.471 58.542 -4.071 18099 3815 1 5 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.650 -2.723 18099 3816 1 5 . 1 1 138 138 PHE H H 115 7.185 7.185 8.353 -1.168 18099 3817 1 5 . 1 1 139 139 ASP N N 116 118.365 118.365 119.124 -0.759 18099 3818 1 5 . 1 1 139 139 ASP C C 116 176.437 176.437 177.961 -1.524 18099 3819 1 5 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.709 -2.848 18099 3820 1 5 . 1 1 139 139 ASP CB C 116 37.014 37.014 40.001 -2.987 18099 3821 1 5 . 1 1 139 139 ASP H H 116 6.856 6.856 7.466 -0.610 18099 3822 1 5 . 1 1 140 140 PHE N N 117 121.864 121.864 128.202 -6.338 18099 3823 1 5 . 1 1 140 140 PHE C C 117 176.620 176.620 175.530 1.090 18099 3824 1 5 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.419 0.991 18099 3825 1 5 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.596 -0.342 18099 3826 1 5 . 1 1 140 140 PHE H H 117 7.462 7.462 8.277 -0.815 18099 3827 1 5 . 1 1 141 141 ASP N N 118 114.866 114.866 115.476 -0.610 18099 3828 1 5 . 1 1 141 141 ASP C C 118 176.206 176.206 176.009 0.197 18099 3829 1 5 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.410 -2.876 18099 3830 1 5 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.483 -1.271 18099 3831 1 5 . 1 1 141 141 ASP H H 118 8.048 8.048 8.111 -0.063 18099 3832 1 5 . 1 1 142 142 ASP N N 119 116.761 116.761 116.402 0.359 18099 3833 1 5 . 1 1 142 142 ASP C C 119 175.386 175.386 175.941 -0.555 18099 3834 1 5 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.607 0.757 18099 3835 1 5 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.474 0.601 18099 3836 1 5 . 1 1 142 142 ASP H H 119 8.144 8.144 7.840 0.304 18099 3837 1 5 . 1 1 143 143 ASP N N 120 119.094 119.094 117.419 1.675 18099 3838 1 5 . 1 1 143 143 ASP C C 120 178.404 178.404 177.356 1.048 18099 3839 1 5 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.919 -0.986 18099 3840 1 5 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.839 -0.911 18099 3841 1 5 . 1 1 143 143 ASP H H 120 8.124 8.124 8.465 -0.341 18099 3842 1 5 . 1 1 144 144 GLY N N 121 115.303 115.303 108.250 7.053 18099 3843 1 5 . 1 1 144 144 GLY C C 121 173.571 173.571 174.264 -0.693 18099 3844 1 5 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.144 0.028 18099 3845 1 5 . 1 1 144 144 GLY H H 121 10.971 10.971 8.890 2.081 18099 3846 1 5 . 1 1 145 145 THR N N 122 110.930 110.930 118.669 -7.739 18099 3847 1 5 . 1 1 145 145 THR C C 122 173.029 173.029 174.214 -1.185 18099 3848 1 5 . 1 1 145 145 THR CA C 122 59.944 59.944 63.050 -3.106 18099 3849 1 5 . 1 1 145 145 THR CB C 122 72.345 72.345 70.233 2.112 18099 3850 1 5 . 1 1 145 145 THR H H 122 7.728 7.728 8.179 -0.451 18099 3851 1 5 . 1 1 146 146 LEU N N 123 125.508 125.508 123.068 2.440 18099 3852 1 5 . 1 1 146 146 LEU C C 123 175.815 175.815 175.364 0.451 18099 3853 1 5 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.453 -0.080 18099 3854 1 5 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.587 -5.682 18099 3855 1 5 . 1 1 146 146 LEU H H 123 9.627 9.627 8.212 1.415 18099 3856 1 5 . 1 1 147 147 ASN N N 124 123.904 123.904 119.192 4.712 18099 3857 1 5 . 1 1 147 147 ASN CA C 124 49.532 49.532 51.316 -1.784 18099 3858 1 5 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.484 -1.169 18099 3859 1 5 . 1 1 147 147 ASN H H 124 8.700 8.700 8.410 0.290 18099 3860 1 5 . 1 1 148 148 ARG C C 125 178.331 178.331 178.242 0.089 18099 3861 1 5 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.490 0.411 18099 3862 1 5 . 1 1 148 148 ARG CB C 125 29.268 29.268 29.966 -0.698 18099 3863 1 5 . 1 1 149 149 GLU N N 126 120.114 120.114 119.164 0.950 18099 3864 1 5 . 1 1 149 149 GLU C C 126 179.537 179.537 178.838 0.699 18099 3865 1 5 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.471 -0.180 18099 3866 1 5 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.520 -1.526 18099 3867 1 5 . 1 1 149 149 GLU H H 126 7.679 7.679 8.531 -0.852 18099 3868 1 5 . 1 1 150 150 ASP N N 127 122.009 122.009 120.791 1.218 18099 3869 1 5 . 1 1 150 150 ASP C C 127 180.544 180.544 178.805 1.739 18099 3870 1 5 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.227 0.875 18099 3871 1 5 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.423 0.155 18099 3872 1 5 . 1 1 150 150 ASP H H 127 8.242 8.242 7.984 0.258 18099 3873 1 5 . 1 1 151 151 LEU C C 128 178.251 178.251 178.936 -0.685 18099 3874 1 5 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.967 -0.853 18099 3875 1 5 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.620 -0.472 18099 3876 1 5 . 1 1 152 152 SER N N 129 116.324 116.324 113.698 2.626 18099 3877 1 5 . 1 1 152 152 SER C C 129 176.599 176.599 176.557 0.042 18099 3878 1 5 . 1 1 152 152 SER CA C 129 61.113 61.113 61.075 0.038 18099 3879 1 5 . 1 1 152 152 SER CB C 129 62.531 62.531 62.390 0.141 18099 3880 1 5 . 1 1 152 152 SER H H 129 8.293 8.293 8.241 0.052 18099 3881 1 5 . 1 1 153 153 ARG N N 130 122.155 122.155 121.555 0.600 18099 3882 1 5 . 1 1 153 153 ARG C C 130 179.087 179.087 178.325 0.762 18099 3883 1 5 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.614 0.347 18099 3884 1 5 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.350 -2.599 18099 3885 1 5 . 1 1 153 153 ARG H H 130 7.590 7.590 7.280 0.310 18099 3886 1 5 . 1 1 154 154 LEU N N 131 122.447 122.447 121.802 0.645 18099 3887 1 5 . 1 1 154 154 LEU C C 131 178.570 178.570 178.537 0.033 18099 3888 1 5 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.249 0.605 18099 3889 1 5 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.181 -0.520 18099 3890 1 5 . 1 1 154 154 LEU H H 131 8.307 8.307 7.701 0.606 18099 3891 1 5 . 1 1 155 155 VAL N N 132 118.802 118.802 114.932 3.870 18099 3892 1 5 . 1 1 155 155 VAL C C 132 178.948 178.948 177.074 1.874 18099 3893 1 5 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.366 0.127 18099 3894 1 5 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.701 -1.008 18099 3895 1 5 . 1 1 155 155 VAL H H 132 8.438 8.438 8.608 -0.170 18099 3896 1 5 . 1 1 156 156 ASN N N 133 119.677 119.677 119.595 0.082 18099 3897 1 5 . 1 1 156 156 ASN C C 133 177.953 177.953 177.628 0.325 18099 3898 1 5 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.697 0.252 18099 3899 1 5 . 1 1 156 156 ASN CB C 133 37.883 37.883 37.822 0.062 18099 3900 1 5 . 1 1 156 156 ASN H H 133 8.057 8.057 7.689 0.367 18099 3901 1 5 . 1 1 157 157 CYS N N 134 118.219 118.219 119.130 -0.911 18099 3902 1 5 . 1 1 157 157 CYS C C 134 176.122 176.122 177.492 -1.370 18099 3903 1 5 . 1 1 157 157 CYS CA C 134 62.189 62.189 63.685 -1.496 18099 3904 1 5 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.503 -0.574 18099 3905 1 5 . 1 1 157 157 CYS H H 134 7.851 7.851 7.963 -0.112 18099 3906 1 5 . 1 1 158 158 LEU N N 135 117.782 117.782 118.754 -0.972 18099 3907 1 5 . 1 1 158 158 LEU C C 135 178.231 178.231 179.123 -0.892 18099 3908 1 5 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.398 -1.234 18099 3909 1 5 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.623 -0.311 18099 3910 1 5 . 1 1 158 158 LEU H H 135 7.691 7.691 7.816 -0.125 18099 3911 1 5 . 1 1 159 159 THR N N 136 109.763 109.763 113.445 -3.682 18099 3912 1 5 . 1 1 159 159 THR C C 136 175.724 175.724 175.260 0.464 18099 3913 1 5 . 1 1 159 159 THR CA C 136 62.297 62.297 65.398 -3.101 18099 3914 1 5 . 1 1 159 159 THR CB C 136 69.800 69.800 69.267 0.533 18099 3915 1 5 . 1 1 159 159 THR H H 136 7.785 7.785 7.897 -0.112 18099 3916 1 5 . 1 1 160 160 GLY N N 137 110.638 110.638 108.392 2.246 18099 3917 1 5 . 1 1 160 160 GLY C C 137 174.231 174.231 172.412 1.819 18099 3918 1 5 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.706 0.484 18099 3919 1 5 . 1 1 160 160 GLY H H 137 7.797 7.797 7.904 -0.107 18099 3920 1 5 . 1 1 161 161 GLU N N 138 120.260 120.260 124.048 -3.788 18099 3921 1 5 . 1 1 161 161 GLU C C 138 177.043 177.043 177.983 -0.940 18099 3922 1 5 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.708 -1.221 18099 3923 1 5 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.112 -0.396 18099 3924 1 5 . 1 1 161 161 GLU H H 138 8.239 8.239 7.735 0.504 18099 3925 1 5 . 1 1 162 162 GLY N N 139 109.909 109.909 112.390 -2.481 18099 3926 1 5 . 1 1 162 162 GLY C C 139 174.400 174.400 173.301 1.099 18099 3927 1 5 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.917 0.088 18099 3928 1 5 . 1 1 162 162 GLY H H 139 8.221 8.221 8.894 -0.673 18099 3929 1 5 . 1 1 164 164 ASP C C 141 176.480 176.480 176.613 -0.133 18099 3930 1 5 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.890 -0.250 18099 3931 1 5 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.185 -0.801 18099 3932 1 5 . 1 1 165 165 THR N N 142 112.242 112.242 113.295 -1.053 18099 3933 1 5 . 1 1 165 165 THR C C 142 174.251 174.251 174.851 -0.600 18099 3934 1 5 . 1 1 165 165 THR CA C 142 61.436 61.436 62.305 -0.869 18099 3935 1 5 . 1 1 165 165 THR CB C 142 69.364 69.364 69.376 -0.012 18099 3936 1 5 . 1 1 165 165 THR H H 142 7.585 7.585 7.747 -0.162 18099 3937 1 5 . 1 1 166 166 ARG N N 143 123.467 123.467 119.944 3.523 18099 3938 1 5 . 1 1 166 166 ARG C C 143 176.360 176.360 175.385 0.975 18099 3939 1 5 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.109 -1.375 18099 3940 1 5 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.750 1.183 18099 3941 1 5 . 1 1 166 166 ARG H H 143 7.833 7.833 8.446 -0.613 18099 3942 1 5 . 1 1 167 167 LEU N N 144 124.342 124.342 122.928 1.414 18099 3943 1 5 . 1 1 167 167 LEU C C 144 177.614 177.614 175.539 2.075 18099 3944 1 5 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.160 1.175 18099 3945 1 5 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.714 -3.196 18099 3946 1 5 . 1 1 167 167 LEU H H 144 8.377 8.377 8.158 0.219 18099 3947 1 5 . 1 1 168 168 SER N N 145 119.385 119.385 117.382 2.003 18099 3948 1 5 . 1 1 168 168 SER C C 145 174.748 174.748 173.487 1.261 18099 3949 1 5 . 1 1 168 168 SER CA C 145 57.132 57.132 59.572 -2.440 18099 3950 1 5 . 1 1 168 168 SER CB C 145 64.882 64.882 63.650 1.232 18099 3951 1 5 . 1 1 168 168 SER H H 145 8.935 8.935 8.539 0.396 18099 3952 1 5 . 1 1 170 170 SER C C 147 177.296 177.296 176.183 1.113 18099 3953 1 5 . 1 1 170 170 SER CA C 147 60.665 60.665 61.105 -0.440 18099 3954 1 5 . 1 1 170 170 SER CB C 147 62.108 62.108 62.454 -0.346 18099 3955 1 5 . 1 1 171 171 GLU N N 148 124.488 124.488 121.151 3.337 18099 3956 1 5 . 1 1 171 171 GLU C C 148 179.525 179.525 178.721 0.804 18099 3957 1 5 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.888 -0.249 18099 3958 1 5 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.939 0.668 18099 3959 1 5 . 1 1 171 171 GLU H H 148 7.645 7.645 8.454 -0.809 18099 3960 1 5 . 1 1 172 172 MET N N 149 120.260 120.260 119.681 0.579 18099 3961 1 5 . 1 1 172 172 MET C C 149 177.117 177.117 177.826 -0.709 18099 3962 1 5 . 1 1 172 172 MET CA C 149 58.501 58.501 56.889 1.612 18099 3963 1 5 . 1 1 172 172 MET CB C 149 31.418 31.418 32.239 -0.821 18099 3964 1 5 . 1 1 172 172 MET H H 149 8.630 8.630 8.008 0.622 18099 3965 1 5 . 1 1 173 173 LYS N N 150 119.239 119.239 120.124 -0.885 18099 3966 1 5 . 1 1 173 173 LYS C C 150 178.012 178.012 178.848 -0.836 18099 3967 1 5 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.729 -0.122 18099 3968 1 5 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.321 -0.943 18099 3969 1 5 . 1 1 173 173 LYS H H 150 7.733 7.733 7.912 -0.179 18099 3970 1 5 . 1 1 174 174 GLN N N 151 116.907 116.907 117.187 -0.280 18099 3971 1 5 . 1 1 174 174 GLN C C 151 178.172 178.172 178.622 -0.450 18099 3972 1 5 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.560 0.756 18099 3973 1 5 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.330 -0.223 18099 3974 1 5 . 1 1 174 174 GLN H H 151 7.513 7.513 7.748 -0.235 18099 3975 1 5 . 1 1 175 175 LEU N N 152 120.989 120.989 122.677 -1.688 18099 3976 1 5 . 1 1 175 175 LEU C C 152 179.226 179.226 178.627 0.599 18099 3977 1 5 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.172 -0.022 18099 3978 1 5 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.663 -0.670 18099 3979 1 5 . 1 1 175 175 LEU H H 152 7.819 7.819 7.631 0.188 18099 3980 1 5 . 1 1 176 176 ILE N N 153 119.823 119.823 118.527 1.296 18099 3981 1 5 . 1 1 176 176 ILE C C 153 177.893 177.893 178.405 -0.512 18099 3982 1 5 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.736 1.573 18099 3983 1 5 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.222 0.644 18099 3984 1 5 . 1 1 176 176 ILE H H 153 8.210 8.210 7.644 0.566 18099 3985 1 5 . 1 1 177 177 ASP N N 154 120.114 120.114 121.075 -0.961 18099 3986 1 5 . 1 1 177 177 ASP C C 154 179.605 179.605 178.970 0.635 18099 3987 1 5 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.571 -0.118 18099 3988 1 5 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.945 -0.996 18099 3989 1 5 . 1 1 177 177 ASP H H 154 8.581 8.581 8.003 0.578 18099 3990 1 5 . 1 1 178 178 ASN N N 155 120.114 120.114 118.440 1.674 18099 3991 1 5 . 1 1 178 178 ASN C C 155 177.813 177.813 177.972 -0.159 18099 3992 1 5 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.876 0.288 18099 3993 1 5 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.338 -0.270 18099 3994 1 5 . 1 1 178 178 ASN H H 155 8.150 8.150 8.213 -0.063 18099 3995 1 5 . 1 1 179 179 ILE N N 156 122.301 122.301 121.397 0.904 18099 3996 1 5 . 1 1 179 179 ILE C C 156 180.182 180.182 178.042 2.140 18099 3997 1 5 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.738 -0.536 18099 3998 1 5 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.018 -0.502 18099 3999 1 5 . 1 1 179 179 ILE H H 156 8.360 8.360 7.770 0.590 18099 4000 1 5 . 1 1 180 180 LEU N N 157 121.864 121.864 120.410 1.454 18099 4001 1 5 . 1 1 180 180 LEU C C 157 178.859 178.859 179.299 -0.440 18099 4002 1 5 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.252 -0.151 18099 4003 1 5 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.583 -1.450 18099 4004 1 5 . 1 1 180 180 LEU H H 157 8.283 8.283 8.422 -0.139 18099 4005 1 5 . 1 1 181 181 GLU N N 158 120.843 120.843 119.100 1.743 18099 4006 1 5 . 1 1 181 181 GLU C C 158 179.062 179.062 179.340 -0.278 18099 4007 1 5 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.320 -0.136 18099 4008 1 5 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.628 -0.941 18099 4009 1 5 . 1 1 181 181 GLU H H 158 8.465 8.465 8.204 0.261 18099 4010 1 5 . 1 1 182 182 GLU N N 159 114.574 114.574 117.957 -3.383 18099 4011 1 5 . 1 1 182 182 GLU C C 159 178.090 178.090 177.989 0.101 18099 4012 1 5 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.536 -0.992 18099 4013 1 5 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.725 0.390 18099 4014 1 5 . 1 1 182 182 GLU H H 159 7.651 7.651 8.155 -0.504 18099 4015 1 5 . 1 1 183 183 SER N N 160 110.492 110.492 113.279 -2.787 18099 4016 1 5 . 1 1 183 183 SER C C 160 174.309 174.309 174.400 -0.091 18099 4017 1 5 . 1 1 183 183 SER CA C 160 59.252 59.252 60.161 -0.909 18099 4018 1 5 . 1 1 183 183 SER CB C 160 65.311 65.311 64.152 1.159 18099 4019 1 5 . 1 1 183 183 SER H H 160 7.670 7.670 8.103 -0.433 18099 4020 1 5 . 1 1 184 184 ASP N N 161 120.551 120.551 120.019 0.532 18099 4021 1 5 . 1 1 184 184 ASP C C 161 177.190 177.190 176.083 1.107 18099 4022 1 5 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.312 -1.895 18099 4023 1 5 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.731 -2.776 18099 4024 1 5 . 1 1 184 184 ASP H H 161 8.437 8.437 7.978 0.459 18099 4025 1 5 . 1 1 185 185 ILE N N 162 126.820 126.820 122.026 4.794 18099 4026 1 5 . 1 1 185 185 ILE C C 162 177.878 177.878 175.597 2.281 18099 4027 1 5 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.054 0.502 18099 4028 1 5 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.919 -1.820 18099 4029 1 5 . 1 1 185 185 ILE H H 162 7.588 7.588 8.241 -0.653 18099 4030 1 5 . 1 1 186 186 ASP N N 163 116.615 116.615 118.281 -1.666 18099 4031 1 5 . 1 1 186 186 ASP C C 163 176.171 176.171 176.515 -0.344 18099 4032 1 5 . 1 1 186 186 ASP CA C 163 53.253 53.253 55.033 -1.780 18099 4033 1 5 . 1 1 186 186 ASP CB C 163 38.780 38.780 39.806 -1.026 18099 4034 1 5 . 1 1 186 186 ASP H H 163 8.247 8.247 8.208 0.039 18099 4035 1 5 . 1 1 187 187 ARG N N 164 115.303 115.303 115.135 0.168 18099 4036 1 5 . 1 1 187 187 ARG C C 164 176.086 176.086 175.843 0.243 18099 4037 1 5 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.961 -0.423 18099 4038 1 5 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.494 -2.967 18099 4039 1 5 . 1 1 187 187 ARG H H 164 7.597 7.597 8.207 -0.610 18099 4040 1 5 . 1 1 188 188 ASP N N 165 120.551 120.551 118.133 2.418 18099 4041 1 5 . 1 1 188 188 ASP C C 165 177.731 177.731 177.734 -0.003 18099 4042 1 5 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.297 -1.661 18099 4043 1 5 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.602 -0.291 18099 4044 1 5 . 1 1 188 188 ASP H H 165 8.603 8.603 8.289 0.314 18099 4045 1 5 . 1 1 189 189 GLY N N 166 114.283 114.283 107.092 7.191 18099 4046 1 5 . 1 1 189 189 GLY C C 166 173.220 173.220 173.621 -0.401 18099 4047 1 5 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.234 -0.303 18099 4048 1 5 . 1 1 189 189 GLY H H 166 10.434 10.434 8.767 1.667 18099 4049 1 5 . 1 1 190 190 THR N N 167 110.201 110.201 110.885 -0.684 18099 4050 1 5 . 1 1 190 190 THR C C 167 173.793 173.793 173.030 0.763 18099 4051 1 5 . 1 1 190 190 THR CA C 167 59.054 59.054 60.257 -1.203 18099 4052 1 5 . 1 1 190 190 THR CB C 167 72.483 72.483 72.381 0.102 18099 4053 1 5 . 1 1 190 190 THR H H 167 8.087 8.087 8.475 -0.388 18099 4054 1 5 . 1 1 191 191 ILE N N 168 124.779 124.779 122.581 2.198 18099 4055 1 5 . 1 1 191 191 ILE C C 168 175.685 175.685 174.960 0.725 18099 4056 1 5 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.206 -1.129 18099 4057 1 5 . 1 1 191 191 ILE CB C 168 38.406 38.406 41.128 -2.722 18099 4058 1 5 . 1 1 191 191 ILE H H 168 9.275 9.275 8.145 1.130 18099 4059 1 5 . 1 1 192 192 ASN N N 169 109.180 109.180 124.418 -15.238 18099 4060 1 5 . 1 1 192 192 ASN C C 169 175.095 175.095 176.191 -1.096 18099 4061 1 5 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.719 -0.767 18099 4062 1 5 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.543 -1.337 18099 4063 1 5 . 1 1 192 192 ASN H H 169 9.154 9.154 8.172 0.982 18099 4064 1 5 . 1 1 193 193 LEU N N 170 120.697 120.697 119.816 0.881 18099 4065 1 5 . 1 1 193 193 LEU C C 170 178.160 178.160 177.937 0.223 18099 4066 1 5 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.283 0.099 18099 4067 1 5 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.704 -1.226 18099 4068 1 5 . 1 1 193 193 LEU H H 170 8.162 8.162 8.433 -0.271 18099 4069 1 5 . 1 1 194 194 SER N N 171 114.283 114.283 114.387 -0.104 18099 4070 1 5 . 1 1 194 194 SER C C 171 178.124 178.124 177.004 1.120 18099 4071 1 5 . 1 1 194 194 SER CA C 171 60.901 60.901 61.428 -0.527 18099 4072 1 5 . 1 1 194 194 SER CB C 171 62.358 62.358 62.587 -0.229 18099 4073 1 5 . 1 1 194 194 SER H H 171 7.812 7.812 7.970 -0.158 18099 4074 1 5 . 1 1 195 195 GLU N N 172 124.050 124.050 121.470 2.580 18099 4075 1 5 . 1 1 195 195 GLU C C 172 179.334 179.334 178.819 0.515 18099 4076 1 5 . 1 1 195 195 GLU CA C 172 58.842 58.842 59.052 -0.210 18099 4077 1 5 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.561 -0.777 18099 4078 1 5 . 1 1 195 195 GLU H H 172 8.540 8.540 9.123 -0.583 18099 4079 1 5 . 1 1 196 196 PHE N N 173 121.864 121.864 121.020 0.844 18099 4080 1 5 . 1 1 196 196 PHE C C 173 176.340 176.340 177.066 -0.726 18099 4081 1 5 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.442 -0.270 18099 4082 1 5 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.190 0.471 18099 4083 1 5 . 1 1 196 196 PHE H H 173 8.738 8.738 8.237 0.501 18099 4084 1 5 . 1 1 197 197 GLN N N 174 117.198 117.198 118.803 -1.605 18099 4085 1 5 . 1 1 197 197 GLN C C 174 178.868 178.868 177.721 1.147 18099 4086 1 5 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.176 -0.107 18099 4087 1 5 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.440 -0.920 18099 4088 1 5 . 1 1 197 197 GLN H H 174 8.912 8.912 7.942 0.970 18099 4089 1 5 . 1 1 198 198 HIS N N 175 120.697 120.697 118.362 2.335 18099 4090 1 5 . 1 1 198 198 HIS C C 175 177.236 177.236 178.338 -1.102 18099 4091 1 5 . 1 1 198 198 HIS CA C 175 59.715 59.715 58.921 0.794 18099 4092 1 5 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.840 -0.261 18099 4093 1 5 . 1 1 198 198 HIS H H 175 8.165 8.165 7.375 0.790 18099 4094 1 5 . 1 1 199 199 VAL N N 176 117.927 117.927 119.925 -1.998 18099 4095 1 5 . 1 1 199 199 VAL C C 176 178.749 178.749 178.804 -0.055 18099 4096 1 5 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.233 -0.601 18099 4097 1 5 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.456 -0.840 18099 4098 1 5 . 1 1 199 199 VAL H H 176 7.654 7.654 8.205 -0.551 18099 4099 1 5 . 1 1 200 200 ILE N N 177 117.636 117.636 117.882 -0.246 18099 4100 1 5 . 1 1 200 200 ILE C C 177 178.331 178.331 176.516 1.815 18099 4101 1 5 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.975 -1.464 18099 4102 1 5 . 1 1 200 200 ILE CB C 177 35.259 35.259 36.953 -1.694 18099 4103 1 5 . 1 1 200 200 ILE H H 177 7.540 7.540 7.790 -0.250 18099 4104 1 5 . 1 1 201 201 SER C C 178 174.450 174.450 174.420 0.030 18099 4105 1 5 . 1 1 201 201 SER CA C 178 60.450 60.450 57.923 2.527 18099 4106 1 5 . 1 1 201 201 SER CB C 178 62.849 62.849 62.981 -0.132 18099 4107 1 5 . 1 1 202 202 ARG N N 179 118.073 118.073 121.983 -3.910 18099 4108 1 5 . 1 1 202 202 ARG C C 179 176.778 176.778 175.739 1.039 18099 4109 1 5 . 1 1 202 202 ARG CA C 179 55.196 55.196 57.087 -1.891 18099 4110 1 5 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.970 -2.679 18099 4111 1 5 . 1 1 202 202 ARG H H 179 6.975 6.975 7.285 -0.310 18099 4112 1 5 . 1 1 203 203 SER N N 180 117.927 117.927 113.740 4.187 18099 4113 1 5 . 1 1 203 203 SER CA C 180 55.949 55.949 56.096 -0.147 18099 4114 1 5 . 1 1 203 203 SER CB C 180 63.786 63.786 65.175 -1.389 18099 4115 1 5 . 1 1 203 203 SER H H 180 7.391 7.391 7.644 -0.253 18099 4116 1 5 . 1 1 206 206 PHE C C 183 176.466 176.466 178.002 -1.536 18099 4117 1 5 . 1 1 206 206 PHE CA C 183 57.576 57.576 61.666 -4.090 18099 4118 1 5 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.408 1.058 18099 4119 1 5 . 1 1 207 207 ALA N N 184 123.904 123.904 121.883 2.021 18099 4120 1 5 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.109 -0.079 18099 4121 1 5 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.363 -0.173 18099 4122 1 5 . 1 1 207 207 ALA H H 184 8.032 8.032 7.778 0.254 18099 4123 1 5 . 1 1 211 211 LYS C C 188 175.805 175.805 176.362 -0.557 18099 4124 1 5 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.083 -2.933 18099 4125 1 5 . 1 1 211 211 LYS CB C 188 31.554 31.554 33.023 -1.469 18099 4126 1 5 . 1 1 212 212 ILE N N 189 122.155 122.155 117.593 4.562 18099 4127 1 5 . 1 1 212 212 ILE C C 189 175.725 175.725 174.924 0.801 18099 4128 1 5 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.788 0.752 18099 4129 1 5 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.562 -0.623 18099 4130 1 5 . 1 1 212 212 ILE H H 189 7.940 7.940 8.194 -0.254 18099 4131 1 5 . 1 1 213 213 VAL N N 190 125.945 125.945 126.606 -0.661 18099 4132 1 5 . 1 1 213 213 VAL C C 190 174.938 174.938 174.920 0.018 18099 4133 1 5 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.852 0.018 18099 4134 1 5 . 1 1 213 213 VAL CB C 190 31.892 31.892 33.845 -1.953 18099 4135 1 5 . 1 1 213 213 VAL H H 190 8.076 8.076 8.503 -0.427 18099 4136 1 6 . 1 1 32 32 SER N N 9 117.053 117.053 120.067 -3.014 18099 4137 1 6 . 1 1 32 32 SER C C 9 174.637 174.637 175.237 -0.600 18099 4138 1 6 . 1 1 32 32 SER CA C 9 57.078 57.078 57.669 -0.591 18099 4139 1 6 . 1 1 32 32 SER CB C 9 64.513 64.513 64.803 -0.290 18099 4140 1 6 . 1 1 32 32 SER H H 9 7.690 7.690 8.186 -0.496 18099 4141 1 6 . 1 1 33 33 LYS C C 10 178.968 178.968 177.818 1.150 18099 4142 1 6 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.573 1.478 18099 4143 1 6 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.791 -0.454 18099 4144 1 6 . 1 1 34 34 GLU N N 11 120.114 120.114 119.429 0.685 18099 4145 1 6 . 1 1 34 34 GLU C C 11 178.968 178.968 178.548 0.420 18099 4146 1 6 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.778 0.829 18099 4147 1 6 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.628 -0.661 18099 4148 1 6 . 1 1 34 34 GLU H H 11 8.720 8.720 8.012 0.708 18099 4149 1 6 . 1 1 35 35 LEU N N 12 122.738 122.738 121.081 1.657 18099 4150 1 6 . 1 1 35 35 LEU C C 12 178.749 178.749 178.858 -0.109 18099 4151 1 6 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.438 -0.413 18099 4152 1 6 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.647 -0.533 18099 4153 1 6 . 1 1 35 35 LEU H H 12 7.613 7.613 7.942 -0.329 18099 4154 1 6 . 1 1 36 36 LEU N N 13 118.510 118.510 119.375 -0.865 18099 4155 1 6 . 1 1 36 36 LEU C C 13 178.788 178.788 177.835 0.953 18099 4156 1 6 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.768 -0.098 18099 4157 1 6 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.090 -0.041 18099 4158 1 6 . 1 1 36 36 LEU H H 13 8.252 8.252 7.538 0.714 18099 4159 1 6 . 1 1 37 37 ALA N N 14 119.968 119.968 120.691 -0.723 18099 4160 1 6 . 1 1 37 37 ALA C C 14 180.023 180.023 179.675 0.348 18099 4161 1 6 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.709 -0.167 18099 4162 1 6 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.813 -0.383 18099 4163 1 6 . 1 1 37 37 ALA H H 14 7.664 7.664 7.436 0.228 18099 4164 1 6 . 1 1 38 38 GLU N N 15 119.239 119.239 118.344 0.895 18099 4165 1 6 . 1 1 38 38 GLU C C 15 179.326 179.326 178.680 0.646 18099 4166 1 6 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.604 0.035 18099 4167 1 6 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.573 -1.130 18099 4168 1 6 . 1 1 38 38 GLU H H 15 7.501 7.501 7.615 -0.114 18099 4169 1 6 . 1 1 39 39 TYR N N 16 117.053 117.053 117.868 -0.815 18099 4170 1 6 . 1 1 39 39 TYR C C 16 178.868 178.868 178.472 0.396 18099 4171 1 6 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.352 -0.315 18099 4172 1 6 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.478 -1.126 18099 4173 1 6 . 1 1 39 39 TYR H H 16 8.156 8.156 7.235 0.921 18099 4174 1 6 . 1 1 40 40 GLN N N 17 121.718 121.718 119.004 2.714 18099 4175 1 6 . 1 1 40 40 GLN C C 17 176.938 176.938 177.164 -0.226 18099 4176 1 6 . 1 1 40 40 GLN CA C 17 58.531 58.531 58.139 0.392 18099 4177 1 6 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.328 0.184 18099 4178 1 6 . 1 1 40 40 GLN H H 17 8.287 8.287 7.853 0.434 18099 4179 1 6 . 1 1 41 41 ASP N N 18 117.636 117.636 120.438 -2.802 18099 4180 1 6 . 1 1 41 41 ASP C C 18 177.336 177.336 176.955 0.381 18099 4181 1 6 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.620 -1.027 18099 4182 1 6 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.913 -0.350 18099 4183 1 6 . 1 1 41 41 ASP H H 18 7.448 7.448 7.601 -0.153 18099 4184 1 6 . 1 1 42 42 LEU N N 19 117.782 117.782 120.162 -2.380 18099 4185 1 6 . 1 1 42 42 LEU C C 19 176.938 176.938 176.450 0.488 18099 4186 1 6 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.749 0.789 18099 4187 1 6 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.055 0.875 18099 4188 1 6 . 1 1 42 42 LEU H H 19 7.444 7.444 8.546 -1.102 18099 4189 1 6 . 1 1 43 43 THR N N 20 109.763 109.763 114.456 -4.693 18099 4190 1 6 . 1 1 43 43 THR C C 20 173.096 173.096 175.375 -2.279 18099 4191 1 6 . 1 1 43 43 THR CA C 20 60.145 60.145 62.521 -2.376 18099 4192 1 6 . 1 1 43 43 THR CB C 20 71.461 71.461 70.619 0.842 18099 4193 1 6 . 1 1 43 43 THR H H 20 7.348 7.348 8.104 -0.756 18099 4194 1 6 . 1 1 44 44 PHE N N 21 117.490 117.490 121.701 -4.211 18099 4195 1 6 . 1 1 44 44 PHE C C 21 175.465 175.465 175.314 0.151 18099 4196 1 6 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.037 -1.227 18099 4197 1 6 . 1 1 44 44 PHE CB C 21 37.305 37.305 40.012 -2.707 18099 4198 1 6 . 1 1 44 44 PHE H H 21 7.686 7.686 7.857 -0.171 18099 4199 1 6 . 1 1 45 45 LEU N N 22 120.260 120.260 120.711 -0.451 18099 4200 1 6 . 1 1 45 45 LEU C C 22 177.017 177.017 177.141 -0.124 18099 4201 1 6 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.995 0.017 18099 4202 1 6 . 1 1 45 45 LEU CB C 22 43.157 43.157 41.070 2.087 18099 4203 1 6 . 1 1 45 45 LEU H H 22 7.350 7.350 7.745 -0.395 18099 4204 1 6 . 1 1 46 46 THR N N 23 111.076 111.076 118.564 -7.488 18099 4205 1 6 . 1 1 46 46 THR C C 23 176.002 176.002 174.896 1.106 18099 4206 1 6 . 1 1 46 46 THR CA C 23 60.468 60.468 62.214 -1.746 18099 4207 1 6 . 1 1 46 46 THR CB C 23 71.212 71.212 69.920 1.292 18099 4208 1 6 . 1 1 46 46 THR H H 23 8.666 8.666 8.330 0.336 18099 4209 1 6 . 1 1 47 47 LYS N N 24 120.260 120.260 118.590 1.670 18099 4210 1 6 . 1 1 47 47 LYS C C 24 178.231 178.231 178.632 -0.401 18099 4211 1 6 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.340 3.209 18099 4212 1 6 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.583 -2.165 18099 4213 1 6 . 1 1 47 47 LYS H H 24 8.598 8.598 8.315 0.283 18099 4214 1 6 . 1 1 48 48 GLN N N 25 116.324 116.324 121.403 -5.079 18099 4215 1 6 . 1 1 48 48 GLN C C 25 179.047 179.047 177.883 1.164 18099 4216 1 6 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.090 -0.129 18099 4217 1 6 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.753 -1.480 18099 4218 1 6 . 1 1 48 48 GLN H H 25 8.390 8.390 8.507 -0.117 18099 4219 1 6 . 1 1 49 49 GLU N N 26 119.677 119.677 120.281 -0.604 18099 4220 1 6 . 1 1 49 49 GLU C C 26 179.804 179.804 179.508 0.296 18099 4221 1 6 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.428 -0.359 18099 4222 1 6 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.564 0.761 18099 4223 1 6 . 1 1 49 49 GLU H H 26 7.644 7.644 7.997 -0.353 18099 4224 1 6 . 1 1 50 50 ILE N N 27 123.613 123.613 118.991 4.622 18099 4225 1 6 . 1 1 50 50 ILE C C 27 177.634 177.634 178.166 -0.532 18099 4226 1 6 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.894 2.415 18099 4227 1 6 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.742 0.329 18099 4228 1 6 . 1 1 50 50 ILE H H 27 8.344 8.344 7.538 0.806 18099 4229 1 6 . 1 1 51 51 LEU N N 28 120.697 120.697 122.683 -1.986 18099 4230 1 6 . 1 1 51 51 LEU C C 28 180.620 180.620 178.790 1.830 18099 4231 1 6 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.201 -0.100 18099 4232 1 6 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.706 -0.960 18099 4233 1 6 . 1 1 51 51 LEU H H 28 8.046 8.046 7.757 0.289 18099 4234 1 6 . 1 1 52 52 LEU N N 29 121.426 121.426 119.989 1.437 18099 4235 1 6 . 1 1 52 52 LEU C C 29 178.968 178.968 178.480 0.488 18099 4236 1 6 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.606 0.064 18099 4237 1 6 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.328 -0.755 18099 4238 1 6 . 1 1 52 52 LEU H H 29 7.998 7.998 8.265 -0.267 18099 4239 1 6 . 1 1 53 53 ALA N N 30 122.447 122.447 121.317 1.130 18099 4240 1 6 . 1 1 53 53 ALA C C 30 179.804 179.804 179.390 0.414 18099 4241 1 6 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.261 -0.065 18099 4242 1 6 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.087 0.017 18099 4243 1 6 . 1 1 53 53 ALA H H 30 8.380 8.380 8.248 0.132 18099 4244 1 6 . 1 1 54 54 HIS N N 31 118.656 118.656 119.460 -0.804 18099 4245 1 6 . 1 1 54 54 HIS C C 31 177.475 177.475 177.436 0.039 18099 4246 1 6 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.655 2.104 18099 4247 1 6 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.088 0.531 18099 4248 1 6 . 1 1 54 54 HIS H H 31 8.760 8.760 8.441 0.319 18099 4249 1 6 . 1 1 55 55 ARG N N 32 121.135 121.135 118.754 2.381 18099 4250 1 6 . 1 1 55 55 ARG C C 32 179.366 179.366 178.525 0.841 18099 4251 1 6 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.300 0.307 18099 4252 1 6 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.963 -0.998 18099 4253 1 6 . 1 1 55 55 ARG H H 32 7.926 7.926 7.764 0.162 18099 4254 1 6 . 1 1 56 56 ARG N N 33 118.219 118.219 118.507 -0.288 18099 4255 1 6 . 1 1 56 56 ARG C C 33 178.669 178.669 178.984 -0.315 18099 4256 1 6 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.210 -0.062 18099 4257 1 6 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.994 -0.835 18099 4258 1 6 . 1 1 56 56 ARG H H 33 8.302 8.302 7.513 0.789 18099 4259 1 6 . 1 1 57 57 PHE N N 34 120.989 120.989 117.036 3.953 18099 4260 1 6 . 1 1 57 57 PHE C C 34 177.435 177.435 177.156 0.279 18099 4261 1 6 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.070 1.151 18099 4262 1 6 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.456 1.093 18099 4263 1 6 . 1 1 57 57 PHE H H 34 8.675 8.675 8.220 0.455 18099 4264 1 6 . 1 1 58 58 CYS N N 35 114.283 114.283 118.460 -4.177 18099 4265 1 6 . 1 1 58 58 CYS C C 35 176.958 176.958 176.777 0.181 18099 4266 1 6 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.102 2.701 18099 4267 1 6 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.924 -0.308 18099 4268 1 6 . 1 1 58 58 CYS H H 35 8.147 8.147 7.692 0.455 18099 4269 1 6 . 1 1 59 59 GLU N N 36 116.615 116.615 119.987 -3.372 18099 4270 1 6 . 1 1 59 59 GLU C C 36 177.276 177.276 177.664 -0.388 18099 4271 1 6 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.793 -0.907 18099 4272 1 6 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.353 -0.719 18099 4273 1 6 . 1 1 59 59 GLU H H 36 7.237 7.237 7.568 -0.331 18099 4274 1 6 . 1 1 60 60 LEU N N 37 116.615 116.615 116.959 -0.344 18099 4275 1 6 . 1 1 60 60 LEU C C 37 176.778 176.778 177.322 -0.544 18099 4276 1 6 . 1 1 60 60 LEU CA C 37 54.120 54.120 55.833 -1.713 18099 4277 1 6 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.169 -1.410 18099 4278 1 6 . 1 1 60 60 LEU H H 37 7.188 7.188 7.373 -0.185 18099 4279 1 6 . 1 1 61 61 LEU N N 38 119.531 119.531 119.363 0.168 18099 4280 1 6 . 1 1 61 61 LEU C C 38 174.848 174.848 174.332 0.516 18099 4281 1 6 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.516 0.237 18099 4282 1 6 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.604 -1.886 18099 4283 1 6 . 1 1 61 61 LEU H H 38 7.060 7.060 7.390 -0.330 18099 4284 1 6 . 1 1 63 63 GLN C C 40 177.754 177.754 178.295 -0.541 18099 4285 1 6 . 1 1 63 63 GLN CA C 40 59.266 59.266 59.021 0.245 18099 4286 1 6 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.284 -0.444 18099 4287 1 6 . 1 1 64 64 GLU N N 41 117.053 117.053 117.888 -0.835 18099 4288 1 6 . 1 1 64 64 GLU C C 41 177.276 177.276 177.996 -0.720 18099 4289 1 6 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.320 -0.112 18099 4290 1 6 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.300 -1.394 18099 4291 1 6 . 1 1 64 64 GLU H H 41 9.287 9.287 8.562 0.725 18099 4292 1 6 . 1 1 65 65 GLN N N 42 119.094 119.094 117.651 1.443 18099 4293 1 6 . 1 1 65 65 GLN C C 42 174.171 174.171 176.072 -1.901 18099 4294 1 6 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.085 -0.320 18099 4295 1 6 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.352 0.917 18099 4296 1 6 . 1 1 65 65 GLN H H 42 8.006 8.006 7.722 0.284 18099 4297 1 6 . 1 1 66 66 ARG N N 43 115.157 115.157 119.154 -3.997 18099 4298 1 6 . 1 1 66 66 ARG C C 43 176.221 176.221 176.177 0.044 18099 4299 1 6 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.105 0.027 18099 4300 1 6 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.387 -1.208 18099 4301 1 6 . 1 1 66 66 ARG H H 43 7.039 7.039 7.430 -0.391 18099 4302 1 6 . 1 1 67 67 SER N N 44 114.720 114.720 116.014 -1.294 18099 4303 1 6 . 1 1 67 67 SER C C 44 175.505 175.505 175.952 -0.447 18099 4304 1 6 . 1 1 67 67 SER CA C 44 57.532 57.532 58.824 -1.292 18099 4305 1 6 . 1 1 67 67 SER CB C 44 63.911 63.911 63.650 0.261 18099 4306 1 6 . 1 1 67 67 SER H H 44 7.641 7.641 7.954 -0.313 18099 4307 1 6 . 1 1 68 68 VAL C C 45 178.271 178.271 177.595 0.676 18099 4308 1 6 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.447 1.889 18099 4309 1 6 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.939 -1.528 18099 4310 1 6 . 1 1 69 69 GLU N N 46 118.365 118.365 118.677 -0.312 18099 4311 1 6 . 1 1 69 69 GLU C C 46 179.187 179.187 177.801 1.386 18099 4312 1 6 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.125 0.590 18099 4313 1 6 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.179 -0.967 18099 4314 1 6 . 1 1 69 69 GLU H H 46 8.862 8.862 8.789 0.073 18099 4315 1 6 . 1 1 70 70 SER N N 47 114.137 114.137 113.163 0.974 18099 4316 1 6 . 1 1 70 70 SER C C 47 178.251 178.251 175.812 2.439 18099 4317 1 6 . 1 1 70 70 SER CA C 47 61.113 61.113 60.761 0.352 18099 4318 1 6 . 1 1 70 70 SER CB C 47 62.543 62.543 63.988 -1.445 18099 4319 1 6 . 1 1 70 70 SER H H 47 7.588 7.588 7.576 0.012 18099 4320 1 6 . 1 1 71 71 SER N N 48 121.280 121.280 119.309 1.971 18099 4321 1 6 . 1 1 71 71 SER C C 48 176.102 176.102 175.760 0.342 18099 4322 1 6 . 1 1 71 71 SER CA C 48 61.544 61.544 61.639 -0.096 18099 4323 1 6 . 1 1 71 71 SER CB C 48 63.348 63.348 63.400 -0.052 18099 4324 1 6 . 1 1 71 71 SER H H 48 8.785 8.785 7.940 0.845 18099 4325 1 6 . 1 1 72 72 LEU N N 49 120.551 120.551 120.124 0.427 18099 4326 1 6 . 1 1 72 72 LEU C C 49 177.555 177.555 178.677 -1.122 18099 4327 1 6 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.594 -0.430 18099 4328 1 6 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.369 -2.189 18099 4329 1 6 . 1 1 72 72 LEU H H 49 7.216 7.216 8.160 -0.944 18099 4330 1 6 . 1 1 73 73 ARG N N 50 116.469 116.469 118.079 -1.610 18099 4331 1 6 . 1 1 73 73 ARG C C 50 175.942 175.942 175.923 0.019 18099 4332 1 6 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.314 -1.549 18099 4333 1 6 . 1 1 73 73 ARG CB C 50 30.681 30.681 30.953 -0.272 18099 4334 1 6 . 1 1 73 73 ARG H H 50 7.394 7.394 7.859 -0.465 18099 4335 1 6 . 1 1 74 74 ALA N N 51 123.904 123.904 121.620 2.284 18099 4336 1 6 . 1 1 74 74 ALA C C 51 176.778 176.778 175.871 0.907 18099 4337 1 6 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.136 1.155 18099 4338 1 6 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.012 0.036 18099 4339 1 6 . 1 1 74 74 ALA H H 51 7.263 7.263 7.765 -0.502 18099 4340 1 6 . 1 1 75 75 GLN N N 52 118.073 118.073 119.262 -1.189 18099 4341 1 6 . 1 1 75 75 GLN C C 52 175.524 175.524 175.499 0.025 18099 4342 1 6 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.155 -1.358 18099 4343 1 6 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.220 -0.004 18099 4344 1 6 . 1 1 75 75 GLN H H 52 8.283 8.283 8.376 -0.093 18099 4345 1 6 . 1 1 76 76 VAL N N 53 124.925 124.925 121.342 3.583 18099 4346 1 6 . 1 1 76 76 VAL C C 53 173.753 173.753 173.852 -0.099 18099 4347 1 6 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.790 0.064 18099 4348 1 6 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.673 0.349 18099 4349 1 6 . 1 1 76 76 VAL H H 53 9.093 9.093 8.132 0.961 18099 4350 1 6 . 1 1 77 77 PRO C C 54 178.132 178.132 177.294 0.838 18099 4351 1 6 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.377 -1.206 18099 4352 1 6 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.180 0.076 18099 4353 1 6 . 1 1 78 78 PHE N N 55 120.406 120.406 124.447 -4.041 18099 4354 1 6 . 1 1 78 78 PHE C C 55 177.236 177.236 176.844 0.392 18099 4355 1 6 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.735 -4.849 18099 4356 1 6 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.447 -3.180 18099 4357 1 6 . 1 1 78 78 PHE H H 55 7.897 7.897 9.147 -1.250 18099 4358 1 6 . 1 1 79 79 GLU N N 56 117.636 117.636 117.302 0.334 18099 4359 1 6 . 1 1 79 79 GLU C C 56 178.410 178.410 177.325 1.085 18099 4360 1 6 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.601 0.544 18099 4361 1 6 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.270 0.107 18099 4362 1 6 . 1 1 79 79 GLU H H 56 9.202 9.202 8.739 0.463 18099 4363 1 6 . 1 1 80 80 GLN N N 57 114.429 114.429 116.944 -2.515 18099 4364 1 6 . 1 1 80 80 GLN C C 57 178.012 178.012 178.034 -0.022 18099 4365 1 6 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.328 -0.981 18099 4366 1 6 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.559 0.794 18099 4367 1 6 . 1 1 80 80 GLN H H 57 7.332 7.332 8.106 -0.774 18099 4368 1 6 . 1 1 81 81 ILE N N 58 120.989 120.989 119.279 1.710 18099 4369 1 6 . 1 1 81 81 ILE C C 58 177.236 177.236 178.407 -1.171 18099 4370 1 6 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.279 -1.488 18099 4371 1 6 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.306 -1.014 18099 4372 1 6 . 1 1 81 81 ILE H H 58 7.375 7.375 7.595 -0.220 18099 4373 1 6 . 1 1 82 82 LEU N N 59 116.469 116.469 117.953 -1.484 18099 4374 1 6 . 1 1 82 82 LEU C C 59 176.360 176.360 176.571 -0.211 18099 4375 1 6 . 1 1 82 82 LEU CA C 59 56.379 56.379 55.873 0.506 18099 4376 1 6 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.505 -0.830 18099 4377 1 6 . 1 1 82 82 LEU H H 59 8.144 8.144 7.622 0.522 18099 4378 1 6 . 1 1 83 83 SER N N 60 110.347 110.347 113.704 -3.357 18099 4379 1 6 . 1 1 83 83 SER C C 60 174.708 174.708 174.731 -0.023 18099 4380 1 6 . 1 1 83 83 SER CA C 60 58.316 58.316 60.092 -1.776 18099 4381 1 6 . 1 1 83 83 SER CB C 60 64.074 64.074 63.132 0.942 18099 4382 1 6 . 1 1 83 83 SER H H 60 7.038 7.038 7.348 -0.310 18099 4383 1 6 . 1 1 84 84 LEU N N 61 124.633 124.633 123.077 1.556 18099 4384 1 6 . 1 1 84 84 LEU C C 61 176.599 176.599 174.489 2.110 18099 4385 1 6 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.088 1.601 18099 4386 1 6 . 1 1 84 84 LEU CB C 61 39.403 39.403 41.853 -2.450 18099 4387 1 6 . 1 1 84 84 LEU H H 61 7.674 7.674 7.247 0.427 18099 4388 1 6 . 1 1 85 85 PRO C C 62 178.457 178.457 178.218 0.239 18099 4389 1 6 . 1 1 85 85 PRO CA C 62 65.328 65.328 64.628 0.700 18099 4390 1 6 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.787 -0.877 18099 4391 1 6 . 1 1 86 86 GLU N N 63 117.198 117.198 119.173 -1.975 18099 4392 1 6 . 1 1 86 86 GLU C C 63 176.280 176.280 179.103 -2.823 18099 4393 1 6 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.394 0.300 18099 4394 1 6 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.126 -1.402 18099 4395 1 6 . 1 1 86 86 GLU H H 63 10.005 10.005 8.453 1.552 18099 4396 1 6 . 1 1 87 87 LEU N N 64 115.595 115.595 118.662 -3.067 18099 4397 1 6 . 1 1 87 87 LEU C C 64 178.197 178.197 179.186 -0.989 18099 4398 1 6 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.469 -2.208 18099 4399 1 6 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.576 2.218 18099 4400 1 6 . 1 1 87 87 LEU H H 64 7.347 7.347 7.796 -0.449 18099 4401 1 6 . 1 1 88 88 LYS N N 65 119.677 119.677 121.286 -1.609 18099 4402 1 6 . 1 1 88 88 LYS C C 65 176.891 176.891 177.873 -0.982 18099 4403 1 6 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.962 0.996 18099 4404 1 6 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.432 -0.902 18099 4405 1 6 . 1 1 88 88 LYS H H 65 7.841 7.841 7.411 0.430 18099 4406 1 6 . 1 1 89 89 ALA C C 66 176.503 176.503 177.117 -0.614 18099 4407 1 6 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.480 -2.654 18099 4408 1 6 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.736 -0.641 18099 4409 1 6 . 1 1 90 90 ASN N N 67 123.467 123.467 117.858 5.609 18099 4410 1 6 . 1 1 90 90 ASN C C 67 175.955 175.955 174.087 1.868 18099 4411 1 6 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.182 0.748 18099 4412 1 6 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.453 1.737 18099 4413 1 6 . 1 1 90 90 ASN H H 67 7.847 7.847 7.317 0.530 18099 4414 1 6 . 1 1 91 91 PRO C C 68 176.918 176.918 175.745 1.173 18099 4415 1 6 . 1 1 91 91 PRO CA C 68 63.893 63.893 64.248 -0.355 18099 4416 1 6 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.620 -0.268 18099 4417 1 6 . 1 1 92 92 PHE N N 69 116.178 116.178 113.451 2.727 18099 4418 1 6 . 1 1 92 92 PHE C C 69 176.977 176.977 176.044 0.933 18099 4419 1 6 . 1 1 92 92 PHE CA C 69 56.917 56.917 57.140 -0.223 18099 4420 1 6 . 1 1 92 92 PHE CB C 69 38.077 38.077 37.929 0.148 18099 4421 1 6 . 1 1 92 92 PHE H H 69 9.006 9.006 7.762 1.244 18099 4422 1 6 . 1 1 93 93 LYS N N 70 119.385 119.385 121.219 -1.834 18099 4423 1 6 . 1 1 93 93 LYS C C 70 175.982 175.982 177.868 -1.886 18099 4424 1 6 . 1 1 93 93 LYS CA C 70 60.468 60.468 60.275 0.193 18099 4425 1 6 . 1 1 93 93 LYS CB C 70 31.026 31.026 31.924 -0.898 18099 4426 1 6 . 1 1 93 93 LYS H H 70 7.693 7.693 8.335 -0.642 18099 4427 1 6 . 1 1 94 94 GLU N N 71 120.406 120.406 119.886 0.520 18099 4428 1 6 . 1 1 94 94 GLU C C 71 179.007 179.007 179.013 -0.006 18099 4429 1 6 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.395 1.181 18099 4430 1 6 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.279 -1.197 18099 4431 1 6 . 1 1 94 94 GLU H H 71 8.549 8.549 8.592 -0.043 18099 4432 1 6 . 1 1 95 95 ARG N N 72 119.677 119.677 119.546 0.131 18099 4433 1 6 . 1 1 95 95 ARG C C 72 178.112 178.112 178.972 -0.860 18099 4434 1 6 . 1 1 95 95 ARG CA C 72 56.487 56.487 58.997 -2.510 18099 4435 1 6 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.320 -1.613 18099 4436 1 6 . 1 1 95 95 ARG H H 72 7.495 7.495 7.686 -0.191 18099 4437 1 6 . 1 1 96 96 ILE N N 73 119.094 119.094 121.337 -2.243 18099 4438 1 6 . 1 1 96 96 ILE C C 73 177.276 177.276 177.595 -0.319 18099 4439 1 6 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.660 0.403 18099 4440 1 6 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.919 -0.690 18099 4441 1 6 . 1 1 96 96 ILE H H 73 8.535 8.535 9.040 -0.505 18099 4442 1 6 . 1 1 97 97 CYS N N 74 115.157 115.157 117.286 -2.129 18099 4443 1 6 . 1 1 97 97 CYS C C 74 174.848 174.848 177.097 -2.249 18099 4444 1 6 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.464 2.630 18099 4445 1 6 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.565 -1.998 18099 4446 1 6 . 1 1 97 97 CYS H H 74 7.235 7.235 7.891 -0.656 18099 4447 1 6 . 1 1 98 98 ARG N N 75 115.886 115.886 121.571 -5.685 18099 4448 1 6 . 1 1 98 98 ARG C C 75 178.470 178.470 178.013 0.457 18099 4449 1 6 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.634 -0.135 18099 4450 1 6 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.053 -0.754 18099 4451 1 6 . 1 1 98 98 ARG H H 75 7.136 7.136 7.670 -0.534 18099 4452 1 6 . 1 1 99 99 VAL N N 76 117.198 117.198 118.018 -0.820 18099 4453 1 6 . 1 1 99 99 VAL C C 76 177.236 177.236 177.596 -0.360 18099 4454 1 6 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.784 -0.797 18099 4455 1 6 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.754 -0.907 18099 4456 1 6 . 1 1 99 99 VAL H H 76 8.043 8.043 7.942 0.101 18099 4457 1 6 . 1 1 100 100 PHE N N 77 115.595 115.595 119.002 -3.407 18099 4458 1 6 . 1 1 100 100 PHE C C 77 175.007 175.007 176.158 -1.151 18099 4459 1 6 . 1 1 100 100 PHE CA C 77 60.468 60.468 60.429 0.039 18099 4460 1 6 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.071 -1.285 18099 4461 1 6 . 1 1 100 100 PHE H H 77 7.436 7.436 8.265 -0.829 18099 4462 1 6 . 1 1 101 101 SER N N 78 112.533 112.533 113.050 -0.517 18099 4463 1 6 . 1 1 101 101 SER C C 78 177.156 177.156 173.869 3.287 18099 4464 1 6 . 1 1 101 101 SER CA C 78 58.639 58.639 58.352 0.287 18099 4465 1 6 . 1 1 101 101 SER CB C 78 64.208 64.208 64.873 -0.665 18099 4466 1 6 . 1 1 101 101 SER H H 78 7.156 7.156 8.239 -1.083 18099 4467 1 6 . 1 1 102 102 THR N N 79 120.551 120.551 115.412 5.139 18099 4468 1 6 . 1 1 102 102 THR C C 79 175.763 175.763 173.546 2.217 18099 4469 1 6 . 1 1 102 102 THR CA C 79 61.328 61.328 61.400 -0.072 18099 4470 1 6 . 1 1 102 102 THR CB C 79 68.647 68.647 71.147 -2.501 18099 4471 1 6 . 1 1 102 102 THR H H 79 9.267 9.267 8.056 1.211 18099 4472 1 6 . 1 1 103 103 SER N N 80 121.280 121.280 121.326 -0.046 18099 4473 1 6 . 1 1 103 103 SER C C 80 175.743 175.743 172.867 2.876 18099 4474 1 6 . 1 1 103 103 SER CA C 80 56.164 56.164 56.482 -0.318 18099 4475 1 6 . 1 1 103 103 SER CB C 80 63.221 63.221 63.601 -0.380 18099 4476 1 6 . 1 1 103 103 SER H H 80 8.120 8.120 8.165 -0.045 18099 4477 1 6 . 1 1 104 104 PRO C C 81 177.654 177.654 176.506 1.148 18099 4478 1 6 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.210 1.188 18099 4479 1 6 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.034 -0.652 18099 4480 1 6 . 1 1 105 105 ALA N N 82 117.927 117.927 119.890 -1.963 18099 4481 1 6 . 1 1 105 105 ALA C C 82 177.077 177.077 176.509 0.568 18099 4482 1 6 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.362 0.068 18099 4483 1 6 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.559 -1.536 18099 4484 1 6 . 1 1 105 105 ALA H H 82 7.961 7.961 8.112 -0.151 18099 4485 1 6 . 1 1 106 106 LYS N N 83 115.449 115.449 114.645 0.804 18099 4486 1 6 . 1 1 106 106 LYS C C 83 175.206 175.206 175.096 0.110 18099 4487 1 6 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.784 -0.943 18099 4488 1 6 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.798 -1.338 18099 4489 1 6 . 1 1 106 106 LYS H H 83 7.984 7.984 8.115 -0.131 18099 4490 1 6 . 1 1 107 107 ASP N N 84 112.242 112.242 113.918 -1.676 18099 4491 1 6 . 1 1 107 107 ASP C C 84 175.823 175.823 175.735 0.088 18099 4492 1 6 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.267 -1.976 18099 4493 1 6 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.965 -0.369 18099 4494 1 6 . 1 1 107 107 ASP H H 84 7.670 7.670 8.241 -0.571 18099 4495 1 6 . 1 1 108 108 SER N N 85 113.554 113.554 113.202 0.352 18099 4496 1 6 . 1 1 108 108 SER C C 85 172.897 172.897 173.136 -0.239 18099 4497 1 6 . 1 1 108 108 SER CA C 85 57.132 57.132 57.020 0.112 18099 4498 1 6 . 1 1 108 108 SER CB C 85 65.347 65.347 66.114 -0.767 18099 4499 1 6 . 1 1 108 108 SER H H 85 7.271 7.271 7.435 -0.164 18099 4500 1 6 . 1 1 109 109 LEU N N 86 121.426 121.426 120.712 0.714 18099 4501 1 6 . 1 1 109 109 LEU C C 86 176.400 176.400 175.573 0.827 18099 4502 1 6 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.231 0.319 18099 4503 1 6 . 1 1 109 109 LEU CB C 86 44.020 44.020 46.123 -2.103 18099 4504 1 6 . 1 1 109 109 LEU H H 86 9.179 9.179 8.027 1.152 18099 4505 1 6 . 1 1 110 110 SER N N 87 117.927 117.927 117.220 0.707 18099 4506 1 6 . 1 1 110 110 SER C C 87 174.808 174.808 175.480 -0.672 18099 4507 1 6 . 1 1 110 110 SER CA C 87 56.056 56.056 56.083 -0.027 18099 4508 1 6 . 1 1 110 110 SER CB C 87 65.644 65.644 64.882 0.762 18099 4509 1 6 . 1 1 110 110 SER H H 87 8.305 8.305 8.942 -0.637 18099 4510 1 6 . 1 1 111 111 PHE N N 88 122.592 122.592 124.640 -2.048 18099 4511 1 6 . 1 1 111 111 PHE C C 88 176.798 176.798 176.439 0.359 18099 4512 1 6 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.596 1.872 18099 4513 1 6 . 1 1 111 111 PHE CB C 88 37.160 37.160 37.711 -0.551 18099 4514 1 6 . 1 1 111 111 PHE H H 88 9.850 9.850 9.082 0.768 18099 4515 1 6 . 1 1 112 112 GLU N N 89 117.782 117.782 121.318 -3.536 18099 4516 1 6 . 1 1 112 112 GLU C C 89 178.490 178.490 178.438 0.052 18099 4517 1 6 . 1 1 112 112 GLU CA C 89 60.145 60.145 58.999 1.146 18099 4518 1 6 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.597 -0.549 18099 4519 1 6 . 1 1 112 112 GLU H H 89 8.233 8.233 7.046 1.187 18099 4520 1 6 . 1 1 113 113 ASP N N 90 121.572 121.572 120.322 1.250 18099 4521 1 6 . 1 1 113 113 ASP C C 90 177.714 177.714 178.813 -1.099 18099 4522 1 6 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.240 -0.215 18099 4523 1 6 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.376 1.323 18099 4524 1 6 . 1 1 113 113 ASP H H 90 7.691 7.691 7.943 -0.252 18099 4525 1 6 . 1 1 114 114 PHE N N 91 121.135 121.135 120.416 0.719 18099 4526 1 6 . 1 1 114 114 PHE C C 91 176.460 176.460 177.385 -0.925 18099 4527 1 6 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.730 -1.693 18099 4528 1 6 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.270 -0.069 18099 4529 1 6 . 1 1 114 114 PHE H H 91 8.214 8.214 7.933 0.281 18099 4530 1 6 . 1 1 115 115 LEU N N 92 118.365 118.365 120.496 -2.131 18099 4531 1 6 . 1 1 115 115 LEU C C 92 179.187 179.187 177.963 1.224 18099 4532 1 6 . 1 1 115 115 LEU CA C 92 57.132 57.132 58.031 -0.899 18099 4533 1 6 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.675 -1.399 18099 4534 1 6 . 1 1 115 115 LEU H H 92 8.189 8.189 7.810 0.379 18099 4535 1 6 . 1 1 116 116 ASP N N 93 120.843 120.843 119.990 0.853 18099 4536 1 6 . 1 1 116 116 ASP C C 93 177.336 177.336 178.934 -1.598 18099 4537 1 6 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.803 -0.563 18099 4538 1 6 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.646 -0.782 18099 4539 1 6 . 1 1 116 116 ASP H H 93 7.640 7.640 8.481 -0.841 18099 4540 1 6 . 1 1 117 117 LEU N N 94 122.447 122.447 121.087 1.360 18099 4541 1 6 . 1 1 117 117 LEU C C 94 177.853 177.853 178.338 -0.485 18099 4542 1 6 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.487 0.076 18099 4543 1 6 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.106 -0.436 18099 4544 1 6 . 1 1 117 117 LEU H H 94 7.480 7.480 7.797 -0.317 18099 4545 1 6 . 1 1 118 118 LEU N N 95 116.907 116.907 120.036 -3.129 18099 4546 1 6 . 1 1 118 118 LEU C C 95 180.923 180.923 178.811 2.112 18099 4547 1 6 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.912 -0.672 18099 4548 1 6 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.369 -1.041 18099 4549 1 6 . 1 1 118 118 LEU H H 95 7.892 7.892 7.481 0.411 18099 4550 1 6 . 1 1 119 119 SER N N 96 116.032 116.032 114.511 1.521 18099 4551 1 6 . 1 1 119 119 SER C C 96 176.343 176.343 177.042 -0.699 18099 4552 1 6 . 1 1 119 119 SER H H 96 8.410 8.410 8.123 0.287 18099 4553 1 6 . 1 1 120 120 VAL N N 97 119.385 119.385 121.471 -2.086 18099 4554 1 6 . 1 1 120 120 VAL C C 97 176.280 176.280 177.513 -1.233 18099 4555 1 6 . 1 1 120 120 VAL CA C 97 65.026 65.026 65.934 -0.908 18099 4556 1 6 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.672 -1.621 18099 4557 1 6 . 1 1 120 120 VAL H H 97 7.255 7.255 8.141 -0.886 18099 4558 1 6 . 1 1 121 121 PHE N N 98 116.761 116.761 118.128 -1.367 18099 4559 1 6 . 1 1 121 121 PHE C C 98 176.206 176.206 176.391 -0.185 18099 4560 1 6 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.089 1.108 18099 4561 1 6 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.072 -0.178 18099 4562 1 6 . 1 1 121 121 PHE H H 98 7.151 7.151 8.139 -0.988 18099 4563 1 6 . 1 1 122 122 SER N N 99 115.449 115.449 115.448 0.001 18099 4564 1 6 . 1 1 122 122 SER C C 99 177.006 177.006 175.268 1.738 18099 4565 1 6 . 1 1 122 122 SER CA C 99 58.486 58.486 60.896 -2.410 18099 4566 1 6 . 1 1 122 122 SER CB C 99 63.834 63.834 64.229 -0.395 18099 4567 1 6 . 1 1 122 122 SER H H 99 7.270 7.270 7.711 -0.441 18099 4568 1 6 . 1 1 123 123 ASP C C 100 177.042 177.042 177.286 -0.244 18099 4569 1 6 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.239 0.940 18099 4570 1 6 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.601 -2.365 18099 4571 1 6 . 1 1 124 124 THR N N 101 111.076 111.076 116.293 -5.217 18099 4572 1 6 . 1 1 124 124 THR C C 101 174.909 174.909 175.330 -0.421 18099 4573 1 6 . 1 1 124 124 THR CA C 101 62.052 62.052 64.811 -2.759 18099 4574 1 6 . 1 1 124 124 THR CB C 101 68.486 68.486 68.912 -0.426 18099 4575 1 6 . 1 1 124 124 THR H H 101 8.147 8.147 7.877 0.270 18099 4576 1 6 . 1 1 125 125 ALA N N 102 124.196 124.196 124.881 -0.685 18099 4577 1 6 . 1 1 125 125 ALA C C 102 176.760 176.760 176.410 0.350 18099 4578 1 6 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.036 -0.533 18099 4579 1 6 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.594 0.698 18099 4580 1 6 . 1 1 125 125 ALA H H 102 6.801 6.801 7.401 -0.600 18099 4581 1 6 . 1 1 126 126 THR N N 103 111.513 111.513 116.029 -4.516 18099 4582 1 6 . 1 1 126 126 THR C C 103 173.925 173.925 174.257 -0.332 18099 4583 1 6 . 1 1 126 126 THR CA C 103 59.311 59.311 59.175 0.136 18099 4584 1 6 . 1 1 126 126 THR CB C 103 67.581 67.581 69.155 -1.574 18099 4585 1 6 . 1 1 126 126 THR H H 103 6.254 6.254 7.849 -1.595 18099 4586 1 6 . 1 1 127 127 PRO C C 104 178.402 178.402 178.417 -0.015 18099 4587 1 6 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.305 -1.171 18099 4588 1 6 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.607 -1.058 18099 4589 1 6 . 1 1 128 128 ASP N N 105 116.469 116.469 116.040 0.429 18099 4590 1 6 . 1 1 128 128 ASP C C 105 178.059 178.059 178.497 -0.438 18099 4591 1 6 . 1 1 128 128 ASP CA C 105 56.868 56.868 56.890 -0.022 18099 4592 1 6 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.314 -0.968 18099 4593 1 6 . 1 1 128 128 ASP H H 105 8.341 8.341 8.532 -0.191 18099 4594 1 6 . 1 1 129 129 ILE N N 106 122.738 122.738 120.221 2.517 18099 4595 1 6 . 1 1 129 129 ILE C C 106 178.111 178.111 178.021 0.090 18099 4596 1 6 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.882 0.368 18099 4597 1 6 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.822 -0.073 18099 4598 1 6 . 1 1 129 129 ILE H H 106 7.443 7.443 7.509 -0.066 18099 4599 1 6 . 1 1 130 130 LYS N N 107 119.677 119.677 120.412 -0.735 18099 4600 1 6 . 1 1 130 130 LYS C C 107 178.667 178.667 178.993 -0.326 18099 4601 1 6 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.453 -0.399 18099 4602 1 6 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.404 0.657 18099 4603 1 6 . 1 1 130 130 LYS H H 107 7.599 7.599 8.748 -1.149 18099 4604 1 6 . 1 1 131 131 SER N N 108 113.117 113.117 114.430 -1.313 18099 4605 1 6 . 1 1 131 131 SER C C 108 175.513 175.513 176.846 -1.333 18099 4606 1 6 . 1 1 131 131 SER CA C 108 61.857 61.857 61.906 -0.049 18099 4607 1 6 . 1 1 131 131 SER CB C 108 63.068 63.068 62.578 0.490 18099 4608 1 6 . 1 1 131 131 SER H H 108 8.470 8.470 7.957 0.513 18099 4609 1 6 . 1 1 132 132 HIS N N 109 123.175 123.175 123.383 -0.208 18099 4610 1 6 . 1 1 132 132 HIS C C 109 178.143 178.143 177.728 0.415 18099 4611 1 6 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.222 -0.950 18099 4612 1 6 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.075 -0.195 18099 4613 1 6 . 1 1 132 132 HIS H H 109 7.991 7.991 7.684 0.307 18099 4614 1 6 . 1 1 133 133 TYR N N 110 115.595 115.595 117.366 -1.771 18099 4615 1 6 . 1 1 133 133 TYR C C 110 177.946 177.946 177.852 0.094 18099 4616 1 6 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.213 2.262 18099 4617 1 6 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.696 0.061 18099 4618 1 6 . 1 1 133 133 TYR H H 110 8.060 8.060 9.111 -1.051 18099 4619 1 6 . 1 1 134 134 ALA N N 111 122.009 122.009 123.100 -1.091 18099 4620 1 6 . 1 1 134 134 ALA C C 111 175.937 175.937 179.086 -3.149 18099 4621 1 6 . 1 1 134 134 ALA CA C 111 55.194 55.194 54.480 0.714 18099 4622 1 6 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.770 0.028 18099 4623 1 6 . 1 1 134 134 ALA H H 111 8.293 8.293 8.465 -0.172 18099 4624 1 6 . 1 1 135 135 PHE N N 112 116.615 116.615 120.141 -3.526 18099 4625 1 6 . 1 1 135 135 PHE C C 112 175.710 175.710 177.477 -1.767 18099 4626 1 6 . 1 1 135 135 PHE CA C 112 61.706 61.706 61.065 0.641 18099 4627 1 6 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.791 -0.651 18099 4628 1 6 . 1 1 135 135 PHE H H 112 7.589 7.589 8.109 -0.520 18099 4629 1 6 . 1 1 136 136 ARG N N 113 113.262 113.262 118.492 -5.230 18099 4630 1 6 . 1 1 136 136 ARG C C 113 179.471 179.471 178.333 1.138 18099 4631 1 6 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.076 -0.880 18099 4632 1 6 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.503 -1.529 18099 4633 1 6 . 1 1 136 136 ARG H H 113 7.090 7.090 7.414 -0.324 18099 4634 1 6 . 1 1 137 137 ILE N N 114 120.843 120.843 119.332 1.511 18099 4635 1 6 . 1 1 137 137 ILE C C 114 176.198 176.198 177.716 -1.518 18099 4636 1 6 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.763 -0.341 18099 4637 1 6 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.354 -2.666 18099 4638 1 6 . 1 1 137 137 ILE H H 114 7.703 7.703 7.635 0.068 18099 4639 1 6 . 1 1 138 138 PHE N N 115 117.636 117.636 116.307 1.329 18099 4640 1 6 . 1 1 138 138 PHE C C 115 173.157 173.157 176.046 -2.889 18099 4641 1 6 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.660 -5.189 18099 4642 1 6 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.630 -2.703 18099 4643 1 6 . 1 1 138 138 PHE H H 115 7.185 7.185 8.596 -1.411 18099 4644 1 6 . 1 1 139 139 ASP N N 116 118.365 118.365 119.869 -1.504 18099 4645 1 6 . 1 1 139 139 ASP C C 116 176.437 176.437 177.730 -1.293 18099 4646 1 6 . 1 1 139 139 ASP CA C 116 50.861 50.861 54.435 -3.575 18099 4647 1 6 . 1 1 139 139 ASP CB C 116 37.014 37.014 40.141 -3.127 18099 4648 1 6 . 1 1 139 139 ASP H H 116 6.856 6.856 7.355 -0.499 18099 4649 1 6 . 1 1 140 140 PHE N N 117 121.864 121.864 127.945 -6.081 18099 4650 1 6 . 1 1 140 140 PHE C C 117 176.620 176.620 175.541 1.079 18099 4651 1 6 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.460 0.950 18099 4652 1 6 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.404 -0.150 18099 4653 1 6 . 1 1 140 140 PHE H H 117 7.462 7.462 7.972 -0.510 18099 4654 1 6 . 1 1 141 141 ASP N N 118 114.866 114.866 115.297 -0.431 18099 4655 1 6 . 1 1 141 141 ASP C C 118 176.206 176.206 176.076 0.130 18099 4656 1 6 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.537 -3.003 18099 4657 1 6 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.192 -0.980 18099 4658 1 6 . 1 1 141 141 ASP H H 118 8.048 8.048 8.400 -0.352 18099 4659 1 6 . 1 1 142 142 ASP N N 119 116.761 116.761 116.195 0.566 18099 4660 1 6 . 1 1 142 142 ASP C C 119 175.386 175.386 176.092 -0.706 18099 4661 1 6 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.625 0.739 18099 4662 1 6 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.366 0.709 18099 4663 1 6 . 1 1 142 142 ASP H H 119 8.144 8.144 7.907 0.237 18099 4664 1 6 . 1 1 143 143 ASP N N 120 119.094 119.094 117.282 1.812 18099 4665 1 6 . 1 1 143 143 ASP C C 120 178.404 178.404 177.327 1.077 18099 4666 1 6 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.826 -0.893 18099 4667 1 6 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.729 -0.801 18099 4668 1 6 . 1 1 143 143 ASP H H 120 8.124 8.124 8.402 -0.278 18099 4669 1 6 . 1 1 144 144 GLY N N 121 115.303 115.303 107.658 7.645 18099 4670 1 6 . 1 1 144 144 GLY C C 121 173.571 173.571 173.961 -0.390 18099 4671 1 6 . 1 1 144 144 GLY CA C 121 45.172 45.172 44.897 0.275 18099 4672 1 6 . 1 1 144 144 GLY H H 121 10.971 10.971 8.737 2.234 18099 4673 1 6 . 1 1 145 145 THR N N 122 110.930 110.930 117.048 -6.118 18099 4674 1 6 . 1 1 145 145 THR C C 122 173.029 173.029 173.874 -0.845 18099 4675 1 6 . 1 1 145 145 THR CA C 122 59.944 59.944 62.428 -2.484 18099 4676 1 6 . 1 1 145 145 THR CB C 122 72.345 72.345 70.346 1.999 18099 4677 1 6 . 1 1 145 145 THR H H 122 7.728 7.728 8.020 -0.292 18099 4678 1 6 . 1 1 146 146 LEU N N 123 125.508 125.508 123.141 2.367 18099 4679 1 6 . 1 1 146 146 LEU C C 123 175.815 175.815 175.537 0.278 18099 4680 1 6 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.322 0.051 18099 4681 1 6 . 1 1 146 146 LEU CB C 123 39.905 39.905 44.864 -4.959 18099 4682 1 6 . 1 1 146 146 LEU H H 123 9.627 9.627 8.159 1.468 18099 4683 1 6 . 1 1 147 147 ASN N N 124 123.904 123.904 120.590 3.314 18099 4684 1 6 . 1 1 147 147 ASN CA C 124 49.532 49.532 51.346 -1.814 18099 4685 1 6 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.229 -0.914 18099 4686 1 6 . 1 1 147 147 ASN H H 124 8.700 8.700 8.492 0.208 18099 4687 1 6 . 1 1 148 148 ARG C C 125 178.331 178.331 178.582 -0.251 18099 4688 1 6 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.513 0.388 18099 4689 1 6 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.044 -0.777 18099 4690 1 6 . 1 1 149 149 GLU N N 126 120.114 120.114 119.442 0.672 18099 4691 1 6 . 1 1 149 149 GLU C C 126 179.537 179.537 179.256 0.281 18099 4692 1 6 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.260 0.031 18099 4693 1 6 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.223 -1.229 18099 4694 1 6 . 1 1 149 149 GLU H H 126 7.679 7.679 8.595 -0.916 18099 4695 1 6 . 1 1 150 150 ASP N N 127 122.009 122.009 120.365 1.644 18099 4696 1 6 . 1 1 150 150 ASP C C 127 180.544 180.544 178.448 2.096 18099 4697 1 6 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.388 0.714 18099 4698 1 6 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.194 0.383 18099 4699 1 6 . 1 1 150 150 ASP H H 127 8.242 8.242 9.272 -1.030 18099 4700 1 6 . 1 1 151 151 LEU C C 128 178.251 178.251 178.882 -0.631 18099 4701 1 6 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.877 -0.763 18099 4702 1 6 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.775 -0.627 18099 4703 1 6 . 1 1 152 152 SER N N 129 116.324 116.324 113.549 2.775 18099 4704 1 6 . 1 1 152 152 SER C C 129 176.599 176.599 177.124 -0.525 18099 4705 1 6 . 1 1 152 152 SER CA C 129 61.113 61.113 61.349 -0.236 18099 4706 1 6 . 1 1 152 152 SER CB C 129 62.531 62.531 62.483 0.048 18099 4707 1 6 . 1 1 152 152 SER H H 129 8.293 8.293 7.857 0.436 18099 4708 1 6 . 1 1 153 153 ARG N N 130 122.155 122.155 121.854 0.301 18099 4709 1 6 . 1 1 153 153 ARG C C 130 179.087 179.087 178.480 0.607 18099 4710 1 6 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.676 0.285 18099 4711 1 6 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.280 -2.529 18099 4712 1 6 . 1 1 153 153 ARG H H 130 7.590 7.590 7.698 -0.108 18099 4713 1 6 . 1 1 154 154 LEU N N 131 122.447 122.447 121.860 0.587 18099 4714 1 6 . 1 1 154 154 LEU C C 131 178.570 178.570 178.634 -0.064 18099 4715 1 6 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.340 0.514 18099 4716 1 6 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.295 -0.634 18099 4717 1 6 . 1 1 154 154 LEU H H 131 8.307 8.307 7.905 0.402 18099 4718 1 6 . 1 1 155 155 VAL N N 132 118.802 118.802 114.735 4.067 18099 4719 1 6 . 1 1 155 155 VAL C C 132 178.948 178.948 176.996 1.952 18099 4720 1 6 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.323 0.170 18099 4721 1 6 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.781 -1.088 18099 4722 1 6 . 1 1 155 155 VAL H H 132 8.438 8.438 8.521 -0.083 18099 4723 1 6 . 1 1 156 156 ASN N N 133 119.677 119.677 119.383 0.294 18099 4724 1 6 . 1 1 156 156 ASN C C 133 177.953 177.953 177.614 0.339 18099 4725 1 6 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.868 0.081 18099 4726 1 6 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.070 -0.187 18099 4727 1 6 . 1 1 156 156 ASN H H 133 8.057 8.057 7.696 0.361 18099 4728 1 6 . 1 1 157 157 CYS N N 134 118.219 118.219 119.133 -0.914 18099 4729 1 6 . 1 1 157 157 CYS C C 134 176.122 176.122 177.429 -1.307 18099 4730 1 6 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.137 -1.948 18099 4731 1 6 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.522 -0.593 18099 4732 1 6 . 1 1 157 157 CYS H H 134 7.851 7.851 7.996 -0.145 18099 4733 1 6 . 1 1 158 158 LEU N N 135 117.782 117.782 119.000 -1.218 18099 4734 1 6 . 1 1 158 158 LEU C C 135 178.231 178.231 179.153 -0.922 18099 4735 1 6 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.318 -1.154 18099 4736 1 6 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.757 -0.445 18099 4737 1 6 . 1 1 158 158 LEU H H 135 7.691 7.691 7.774 -0.083 18099 4738 1 6 . 1 1 159 159 THR N N 136 109.763 109.763 113.838 -4.075 18099 4739 1 6 . 1 1 159 159 THR C C 136 175.724 175.724 175.285 0.439 18099 4740 1 6 . 1 1 159 159 THR CA C 136 62.297 62.297 65.550 -3.253 18099 4741 1 6 . 1 1 159 159 THR CB C 136 69.800 69.800 69.222 0.577 18099 4742 1 6 . 1 1 159 159 THR H H 136 7.785 7.785 7.847 -0.062 18099 4743 1 6 . 1 1 160 160 GLY N N 137 110.638 110.638 108.470 2.168 18099 4744 1 6 . 1 1 160 160 GLY C C 137 174.231 174.231 172.414 1.817 18099 4745 1 6 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.752 0.438 18099 4746 1 6 . 1 1 160 160 GLY H H 137 7.797 7.797 7.753 0.044 18099 4747 1 6 . 1 1 161 161 GLU N N 138 120.260 120.260 122.682 -2.422 18099 4748 1 6 . 1 1 161 161 GLU C C 138 177.043 177.043 177.795 -0.752 18099 4749 1 6 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.679 -1.192 18099 4750 1 6 . 1 1 161 161 GLU CB C 138 29.716 29.716 29.997 -0.281 18099 4751 1 6 . 1 1 161 161 GLU H H 138 8.239 8.239 7.740 0.499 18099 4752 1 6 . 1 1 162 162 GLY N N 139 109.909 109.909 112.214 -2.305 18099 4753 1 6 . 1 1 162 162 GLY C C 139 174.400 174.400 173.183 1.217 18099 4754 1 6 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.926 0.079 18099 4755 1 6 . 1 1 162 162 GLY H H 139 8.221 8.221 8.783 -0.562 18099 4756 1 6 . 1 1 164 164 ASP C C 141 176.480 176.480 176.696 -0.216 18099 4757 1 6 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.889 -0.249 18099 4758 1 6 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.081 -0.697 18099 4759 1 6 . 1 1 165 165 THR N N 142 112.242 112.242 113.224 -0.982 18099 4760 1 6 . 1 1 165 165 THR C C 142 174.251 174.251 174.827 -0.576 18099 4761 1 6 . 1 1 165 165 THR CA C 142 61.436 61.436 62.280 -0.844 18099 4762 1 6 . 1 1 165 165 THR CB C 142 69.364 69.364 69.282 0.082 18099 4763 1 6 . 1 1 165 165 THR H H 142 7.585 7.585 7.725 -0.140 18099 4764 1 6 . 1 1 166 166 ARG N N 143 123.467 123.467 119.923 3.544 18099 4765 1 6 . 1 1 166 166 ARG C C 143 176.360 176.360 175.321 1.039 18099 4766 1 6 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.112 -1.378 18099 4767 1 6 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.739 1.194 18099 4768 1 6 . 1 1 166 166 ARG H H 143 7.833 7.833 8.450 -0.617 18099 4769 1 6 . 1 1 167 167 LEU N N 144 124.342 124.342 122.883 1.459 18099 4770 1 6 . 1 1 167 167 LEU C C 144 177.614 177.614 175.653 1.961 18099 4771 1 6 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.178 1.157 18099 4772 1 6 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.653 -3.135 18099 4773 1 6 . 1 1 167 167 LEU H H 144 8.377 8.377 8.138 0.239 18099 4774 1 6 . 1 1 168 168 SER N N 145 119.385 119.385 117.218 2.167 18099 4775 1 6 . 1 1 168 168 SER C C 145 174.748 174.748 173.588 1.160 18099 4776 1 6 . 1 1 168 168 SER CA C 145 57.132 57.132 59.486 -2.353 18099 4777 1 6 . 1 1 168 168 SER CB C 145 64.882 64.882 63.670 1.212 18099 4778 1 6 . 1 1 168 168 SER H H 145 8.935 8.935 8.370 0.565 18099 4779 1 6 . 1 1 170 170 SER C C 147 177.296 177.296 176.174 1.122 18099 4780 1 6 . 1 1 170 170 SER CA C 147 60.665 60.665 61.087 -0.422 18099 4781 1 6 . 1 1 170 170 SER CB C 147 62.108 62.108 62.477 -0.369 18099 4782 1 6 . 1 1 171 171 GLU N N 148 124.488 124.488 121.170 3.318 18099 4783 1 6 . 1 1 171 171 GLU C C 148 179.525 179.525 178.710 0.815 18099 4784 1 6 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.862 -0.223 18099 4785 1 6 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.946 0.661 18099 4786 1 6 . 1 1 171 171 GLU H H 148 7.645 7.645 8.448 -0.803 18099 4787 1 6 . 1 1 172 172 MET N N 149 120.260 120.260 119.766 0.494 18099 4788 1 6 . 1 1 172 172 MET C C 149 177.117 177.117 177.840 -0.723 18099 4789 1 6 . 1 1 172 172 MET CA C 149 58.501 58.501 56.953 1.548 18099 4790 1 6 . 1 1 172 172 MET CB C 149 31.418 31.418 32.242 -0.824 18099 4791 1 6 . 1 1 172 172 MET H H 149 8.630 8.630 8.034 0.596 18099 4792 1 6 . 1 1 173 173 LYS N N 150 119.239 119.239 120.007 -0.768 18099 4793 1 6 . 1 1 173 173 LYS C C 150 178.012 178.012 178.806 -0.794 18099 4794 1 6 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.740 -0.133 18099 4795 1 6 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.329 -0.951 18099 4796 1 6 . 1 1 173 173 LYS H H 150 7.733 7.733 7.924 -0.191 18099 4797 1 6 . 1 1 174 174 GLN N N 151 116.907 116.907 116.971 -0.064 18099 4798 1 6 . 1 1 174 174 GLN C C 151 178.172 178.172 178.483 -0.311 18099 4799 1 6 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.557 0.759 18099 4800 1 6 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.269 -0.162 18099 4801 1 6 . 1 1 174 174 GLN H H 151 7.513 7.513 7.747 -0.234 18099 4802 1 6 . 1 1 175 175 LEU N N 152 120.989 120.989 122.798 -1.809 18099 4803 1 6 . 1 1 175 175 LEU C C 152 179.226 179.226 178.568 0.658 18099 4804 1 6 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.160 -0.010 18099 4805 1 6 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.684 -0.691 18099 4806 1 6 . 1 1 175 175 LEU H H 152 7.819 7.819 7.635 0.184 18099 4807 1 6 . 1 1 176 176 ILE N N 153 119.823 119.823 118.697 1.126 18099 4808 1 6 . 1 1 176 176 ILE C C 153 177.893 177.893 178.465 -0.572 18099 4809 1 6 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.868 1.441 18099 4810 1 6 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.212 0.654 18099 4811 1 6 . 1 1 176 176 ILE H H 153 8.210 8.210 7.689 0.521 18099 4812 1 6 . 1 1 177 177 ASP N N 154 120.114 120.114 120.831 -0.717 18099 4813 1 6 . 1 1 177 177 ASP C C 154 179.605 179.605 178.995 0.610 18099 4814 1 6 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.548 -0.095 18099 4815 1 6 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.970 -1.021 18099 4816 1 6 . 1 1 177 177 ASP H H 154 8.581 8.581 8.020 0.561 18099 4817 1 6 . 1 1 178 178 ASN N N 155 120.114 120.114 118.512 1.602 18099 4818 1 6 . 1 1 178 178 ASN C C 155 177.813 177.813 177.960 -0.147 18099 4819 1 6 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.814 0.350 18099 4820 1 6 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.370 -0.302 18099 4821 1 6 . 1 1 178 178 ASN H H 155 8.150 8.150 8.084 0.066 18099 4822 1 6 . 1 1 179 179 ILE N N 156 122.301 122.301 121.533 0.768 18099 4823 1 6 . 1 1 179 179 ILE C C 156 180.182 180.182 178.040 2.142 18099 4824 1 6 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.775 -0.573 18099 4825 1 6 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.033 -0.517 18099 4826 1 6 . 1 1 179 179 ILE H H 156 8.360 8.360 7.943 0.417 18099 4827 1 6 . 1 1 180 180 LEU N N 157 121.864 121.864 120.253 1.611 18099 4828 1 6 . 1 1 180 180 LEU C C 157 178.859 178.859 179.311 -0.452 18099 4829 1 6 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.214 -0.113 18099 4830 1 6 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.558 -1.425 18099 4831 1 6 . 1 1 180 180 LEU H H 157 8.283 8.283 8.453 -0.170 18099 4832 1 6 . 1 1 181 181 GLU N N 158 120.843 120.843 119.051 1.792 18099 4833 1 6 . 1 1 181 181 GLU C C 158 179.062 179.062 179.312 -0.250 18099 4834 1 6 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.309 -0.125 18099 4835 1 6 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.630 -0.942 18099 4836 1 6 . 1 1 181 181 GLU H H 158 8.465 8.465 8.005 0.460 18099 4837 1 6 . 1 1 182 182 GLU N N 159 114.574 114.574 117.971 -3.397 18099 4838 1 6 . 1 1 182 182 GLU C C 159 178.090 178.090 177.847 0.243 18099 4839 1 6 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.439 -0.895 18099 4840 1 6 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.734 0.381 18099 4841 1 6 . 1 1 182 182 GLU H H 159 7.651 7.651 8.127 -0.476 18099 4842 1 6 . 1 1 183 183 SER N N 160 110.492 110.492 113.191 -2.699 18099 4843 1 6 . 1 1 183 183 SER C C 160 174.309 174.309 174.622 -0.313 18099 4844 1 6 . 1 1 183 183 SER CA C 160 59.252 59.252 60.156 -0.904 18099 4845 1 6 . 1 1 183 183 SER CB C 160 65.311 65.311 64.168 1.143 18099 4846 1 6 . 1 1 183 183 SER H H 160 7.670 7.670 8.082 -0.412 18099 4847 1 6 . 1 1 184 184 ASP N N 161 120.551 120.551 120.767 -0.216 18099 4848 1 6 . 1 1 184 184 ASP C C 161 177.190 177.190 175.978 1.212 18099 4849 1 6 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.306 -1.889 18099 4850 1 6 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.785 -2.830 18099 4851 1 6 . 1 1 184 184 ASP H H 161 8.437 8.437 8.037 0.400 18099 4852 1 6 . 1 1 185 185 ILE N N 162 126.820 126.820 119.844 6.976 18099 4853 1 6 . 1 1 185 185 ILE C C 162 177.878 177.878 176.351 1.527 18099 4854 1 6 . 1 1 185 185 ILE CA C 162 63.556 63.556 62.917 0.639 18099 4855 1 6 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.878 -1.779 18099 4856 1 6 . 1 1 185 185 ILE H H 162 7.588 7.588 8.250 -0.662 18099 4857 1 6 . 1 1 186 186 ASP N N 163 116.615 116.615 117.981 -1.366 18099 4858 1 6 . 1 1 186 186 ASP C C 163 176.171 176.171 176.492 -0.321 18099 4859 1 6 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.924 -1.671 18099 4860 1 6 . 1 1 186 186 ASP CB C 163 38.780 38.780 40.060 -1.280 18099 4861 1 6 . 1 1 186 186 ASP H H 163 8.247 8.247 8.316 -0.069 18099 4862 1 6 . 1 1 187 187 ARG N N 164 115.303 115.303 115.141 0.162 18099 4863 1 6 . 1 1 187 187 ARG C C 164 176.086 176.086 175.737 0.349 18099 4864 1 6 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.951 -0.413 18099 4865 1 6 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.614 -3.087 18099 4866 1 6 . 1 1 187 187 ARG H H 164 7.597 7.597 8.236 -0.639 18099 4867 1 6 . 1 1 188 188 ASP N N 165 120.551 120.551 116.428 4.123 18099 4868 1 6 . 1 1 188 188 ASP C C 165 177.731 177.731 177.430 0.301 18099 4869 1 6 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.326 -1.690 18099 4870 1 6 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.398 -0.087 18099 4871 1 6 . 1 1 188 188 ASP H H 165 8.603 8.603 8.248 0.355 18099 4872 1 6 . 1 1 189 189 GLY N N 166 114.283 114.283 106.888 7.395 18099 4873 1 6 . 1 1 189 189 GLY C C 166 173.220 173.220 173.752 -0.532 18099 4874 1 6 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.349 -0.418 18099 4875 1 6 . 1 1 189 189 GLY H H 166 10.434 10.434 8.778 1.656 18099 4876 1 6 . 1 1 190 190 THR N N 167 110.201 110.201 111.177 -0.976 18099 4877 1 6 . 1 1 190 190 THR C C 167 173.793 173.793 173.007 0.786 18099 4878 1 6 . 1 1 190 190 THR CA C 167 59.054 59.054 60.652 -1.598 18099 4879 1 6 . 1 1 190 190 THR CB C 167 72.483 72.483 72.153 0.330 18099 4880 1 6 . 1 1 190 190 THR H H 167 8.087 8.087 8.418 -0.331 18099 4881 1 6 . 1 1 191 191 ILE N N 168 124.779 124.779 122.966 1.813 18099 4882 1 6 . 1 1 191 191 ILE C C 168 175.685 175.685 174.896 0.789 18099 4883 1 6 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.188 -1.111 18099 4884 1 6 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.857 -2.451 18099 4885 1 6 . 1 1 191 191 ILE H H 168 9.275 9.275 8.169 1.106 18099 4886 1 6 . 1 1 192 192 ASN N N 169 109.180 109.180 125.028 -15.848 18099 4887 1 6 . 1 1 192 192 ASN C C 169 175.095 175.095 175.965 -0.870 18099 4888 1 6 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.772 -0.820 18099 4889 1 6 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.485 -1.279 18099 4890 1 6 . 1 1 192 192 ASN H H 169 9.154 9.154 8.233 0.921 18099 4891 1 6 . 1 1 193 193 LEU N N 170 120.697 120.697 119.630 1.067 18099 4892 1 6 . 1 1 193 193 LEU C C 170 178.160 178.160 178.112 0.048 18099 4893 1 6 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.190 0.192 18099 4894 1 6 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.544 -1.066 18099 4895 1 6 . 1 1 193 193 LEU H H 170 8.162 8.162 8.341 -0.179 18099 4896 1 6 . 1 1 194 194 SER N N 171 114.283 114.283 114.166 0.117 18099 4897 1 6 . 1 1 194 194 SER C C 171 178.124 178.124 176.954 1.170 18099 4898 1 6 . 1 1 194 194 SER CA C 171 60.901 60.901 61.487 -0.586 18099 4899 1 6 . 1 1 194 194 SER CB C 171 62.358 62.358 62.434 -0.076 18099 4900 1 6 . 1 1 194 194 SER H H 171 7.812 7.812 7.971 -0.159 18099 4901 1 6 . 1 1 195 195 GLU N N 172 124.050 124.050 121.872 2.178 18099 4902 1 6 . 1 1 195 195 GLU C C 172 179.334 179.334 178.879 0.455 18099 4903 1 6 . 1 1 195 195 GLU CA C 172 58.842 58.842 59.063 -0.221 18099 4904 1 6 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.545 -0.761 18099 4905 1 6 . 1 1 195 195 GLU H H 172 8.540 8.540 9.116 -0.576 18099 4906 1 6 . 1 1 196 196 PHE N N 173 121.864 121.864 121.028 0.836 18099 4907 1 6 . 1 1 196 196 PHE C C 173 176.340 176.340 177.215 -0.875 18099 4908 1 6 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.399 -0.227 18099 4909 1 6 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.256 0.405 18099 4910 1 6 . 1 1 196 196 PHE H H 173 8.738 8.738 8.416 0.322 18099 4911 1 6 . 1 1 197 197 GLN N N 174 117.198 117.198 118.872 -1.674 18099 4912 1 6 . 1 1 197 197 GLN C C 174 178.868 178.868 177.441 1.427 18099 4913 1 6 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.123 -0.054 18099 4914 1 6 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.663 -1.143 18099 4915 1 6 . 1 1 197 197 GLN H H 174 8.912 8.912 7.964 0.948 18099 4916 1 6 . 1 1 198 198 HIS N N 175 120.697 120.697 118.605 2.092 18099 4917 1 6 . 1 1 198 198 HIS C C 175 177.236 177.236 178.322 -1.086 18099 4918 1 6 . 1 1 198 198 HIS CA C 175 59.715 59.715 58.966 0.749 18099 4919 1 6 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.838 -0.259 18099 4920 1 6 . 1 1 198 198 HIS H H 175 8.165 8.165 7.402 0.763 18099 4921 1 6 . 1 1 199 199 VAL N N 176 117.927 117.927 119.719 -1.792 18099 4922 1 6 . 1 1 199 199 VAL C C 176 178.749 178.749 178.800 -0.051 18099 4923 1 6 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.207 -0.575 18099 4924 1 6 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.463 -0.847 18099 4925 1 6 . 1 1 199 199 VAL H H 176 7.654 7.654 8.243 -0.589 18099 4926 1 6 . 1 1 200 200 ILE N N 177 117.636 117.636 117.840 -0.204 18099 4927 1 6 . 1 1 200 200 ILE C C 177 178.331 178.331 176.450 1.881 18099 4928 1 6 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.925 -1.413 18099 4929 1 6 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.072 -1.813 18099 4930 1 6 . 1 1 200 200 ILE H H 177 7.540 7.540 7.599 -0.059 18099 4931 1 6 . 1 1 201 201 SER C C 178 174.450 174.450 174.993 -0.543 18099 4932 1 6 . 1 1 201 201 SER CA C 178 60.450 60.450 58.348 2.102 18099 4933 1 6 . 1 1 201 201 SER CB C 178 62.849 62.849 63.269 -0.420 18099 4934 1 6 . 1 1 202 202 ARG N N 179 118.073 118.073 122.145 -4.072 18099 4935 1 6 . 1 1 202 202 ARG C C 179 176.778 176.778 175.575 1.203 18099 4936 1 6 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.991 -1.795 18099 4937 1 6 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.701 -2.410 18099 4938 1 6 . 1 1 202 202 ARG H H 179 6.975 6.975 7.602 -0.627 18099 4939 1 6 . 1 1 203 203 SER N N 180 117.927 117.927 113.832 4.095 18099 4940 1 6 . 1 1 203 203 SER CA C 180 55.949 55.949 56.165 -0.216 18099 4941 1 6 . 1 1 203 203 SER CB C 180 63.786 63.786 65.203 -1.417 18099 4942 1 6 . 1 1 203 203 SER H H 180 7.391 7.391 7.655 -0.264 18099 4943 1 6 . 1 1 206 206 PHE C C 183 176.466 176.466 177.995 -1.529 18099 4944 1 6 . 1 1 206 206 PHE CA C 183 57.576 57.576 61.429 -3.853 18099 4945 1 6 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.434 1.032 18099 4946 1 6 . 1 1 207 207 ALA N N 184 123.904 123.904 121.745 2.159 18099 4947 1 6 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.018 0.012 18099 4948 1 6 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.416 -0.226 18099 4949 1 6 . 1 1 207 207 ALA H H 184 8.032 8.032 7.694 0.338 18099 4950 1 6 . 1 1 211 211 LYS C C 188 175.805 175.805 176.317 -0.512 18099 4951 1 6 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.383 -3.232 18099 4952 1 6 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.867 -1.313 18099 4953 1 6 . 1 1 212 212 ILE N N 189 122.155 122.155 117.724 4.431 18099 4954 1 6 . 1 1 212 212 ILE C C 189 175.725 175.725 174.801 0.924 18099 4955 1 6 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.986 0.555 18099 4956 1 6 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.645 -0.706 18099 4957 1 6 . 1 1 212 212 ILE H H 189 7.940 7.940 8.073 -0.133 18099 4958 1 6 . 1 1 213 213 VAL N N 190 125.945 125.945 124.753 1.192 18099 4959 1 6 . 1 1 213 213 VAL C C 190 174.938 174.938 174.553 0.385 18099 4960 1 6 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.809 0.061 18099 4961 1 6 . 1 1 213 213 VAL CB C 190 31.892 31.892 33.955 -2.063 18099 4962 1 6 . 1 1 213 213 VAL H H 190 8.076 8.076 8.472 -0.396 18099 4963 1 7 . 1 1 32 32 SER N N 9 117.053 117.053 119.861 -2.808 18099 4964 1 7 . 1 1 32 32 SER C C 9 174.637 174.637 175.266 -0.629 18099 4965 1 7 . 1 1 32 32 SER CA C 9 57.078 57.078 57.438 -0.360 18099 4966 1 7 . 1 1 32 32 SER CB C 9 64.513 64.513 65.162 -0.649 18099 4967 1 7 . 1 1 32 32 SER H H 9 7.690 7.690 8.142 -0.452 18099 4968 1 7 . 1 1 33 33 LYS C C 10 178.968 178.968 178.160 0.808 18099 4969 1 7 . 1 1 33 33 LYS CA C 10 59.051 59.051 58.213 0.838 18099 4970 1 7 . 1 1 33 33 LYS CB C 10 31.337 31.337 32.021 -0.684 18099 4971 1 7 . 1 1 34 34 GLU N N 11 120.114 120.114 119.593 0.521 18099 4972 1 7 . 1 1 34 34 GLU C C 11 178.968 178.968 178.607 0.361 18099 4973 1 7 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.687 0.920 18099 4974 1 7 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.680 -0.713 18099 4975 1 7 . 1 1 34 34 GLU H H 11 8.720 8.720 7.981 0.739 18099 4976 1 7 . 1 1 35 35 LEU N N 12 122.738 122.738 121.228 1.510 18099 4977 1 7 . 1 1 35 35 LEU C C 12 178.749 178.749 179.025 -0.276 18099 4978 1 7 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.486 -0.460 18099 4979 1 7 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.696 -0.582 18099 4980 1 7 . 1 1 35 35 LEU H H 12 7.613 7.613 7.939 -0.326 18099 4981 1 7 . 1 1 36 36 LEU N N 13 118.510 118.510 118.997 -0.487 18099 4982 1 7 . 1 1 36 36 LEU C C 13 178.788 178.788 177.722 1.066 18099 4983 1 7 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.776 -0.106 18099 4984 1 7 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.311 -0.262 18099 4985 1 7 . 1 1 36 36 LEU H H 13 8.252 8.252 7.491 0.761 18099 4986 1 7 . 1 1 37 37 ALA N N 14 119.968 119.968 120.456 -0.488 18099 4987 1 7 . 1 1 37 37 ALA C C 14 180.023 180.023 179.531 0.492 18099 4988 1 7 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.792 -0.250 18099 4989 1 7 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.843 -0.413 18099 4990 1 7 . 1 1 37 37 ALA H H 14 7.664 7.664 7.839 -0.175 18099 4991 1 7 . 1 1 38 38 GLU N N 15 119.239 119.239 117.848 1.391 18099 4992 1 7 . 1 1 38 38 GLU C C 15 179.326 179.326 178.047 1.279 18099 4993 1 7 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.763 -0.124 18099 4994 1 7 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.451 -1.008 18099 4995 1 7 . 1 1 38 38 GLU H H 15 7.501 7.501 7.590 -0.089 18099 4996 1 7 . 1 1 39 39 TYR N N 16 117.053 117.053 117.772 -0.719 18099 4997 1 7 . 1 1 39 39 TYR C C 16 178.868 178.868 178.292 0.576 18099 4998 1 7 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.630 -0.593 18099 4999 1 7 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.357 -1.005 18099 5000 1 7 . 1 1 39 39 TYR H H 16 8.156 8.156 7.246 0.910 18099 5001 1 7 . 1 1 40 40 GLN N N 17 121.718 121.718 118.908 2.810 18099 5002 1 7 . 1 1 40 40 GLN C C 17 176.938 176.938 177.283 -0.345 18099 5003 1 7 . 1 1 40 40 GLN CA C 17 58.531 58.531 57.953 0.578 18099 5004 1 7 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.442 0.070 18099 5005 1 7 . 1 1 40 40 GLN H H 17 8.287 8.287 7.720 0.567 18099 5006 1 7 . 1 1 41 41 ASP N N 18 117.636 117.636 120.385 -2.749 18099 5007 1 7 . 1 1 41 41 ASP C C 18 177.336 177.336 177.206 0.130 18099 5008 1 7 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.780 -1.187 18099 5009 1 7 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.946 -0.383 18099 5010 1 7 . 1 1 41 41 ASP H H 18 7.448 7.448 7.548 -0.100 18099 5011 1 7 . 1 1 42 42 LEU N N 19 117.782 117.782 119.639 -1.857 18099 5012 1 7 . 1 1 42 42 LEU C C 19 176.938 176.938 176.490 0.448 18099 5013 1 7 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.715 0.823 18099 5014 1 7 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.087 0.843 18099 5015 1 7 . 1 1 42 42 LEU H H 19 7.444 7.444 8.533 -1.089 18099 5016 1 7 . 1 1 43 43 THR N N 20 109.763 109.763 114.628 -4.865 18099 5017 1 7 . 1 1 43 43 THR C C 20 173.096 173.096 175.443 -2.347 18099 5018 1 7 . 1 1 43 43 THR CA C 20 60.145 60.145 62.738 -2.593 18099 5019 1 7 . 1 1 43 43 THR CB C 20 71.461 71.461 70.645 0.815 18099 5020 1 7 . 1 1 43 43 THR H H 20 7.348 7.348 8.027 -0.679 18099 5021 1 7 . 1 1 44 44 PHE N N 21 117.490 117.490 121.663 -4.173 18099 5022 1 7 . 1 1 44 44 PHE C C 21 175.465 175.465 175.268 0.197 18099 5023 1 7 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.178 -1.368 18099 5024 1 7 . 1 1 44 44 PHE CB C 21 37.305 37.305 40.074 -2.769 18099 5025 1 7 . 1 1 44 44 PHE H H 21 7.686 7.686 7.777 -0.091 18099 5026 1 7 . 1 1 45 45 LEU N N 22 120.260 120.260 120.506 -0.246 18099 5027 1 7 . 1 1 45 45 LEU C C 22 177.017 177.017 177.031 -0.014 18099 5028 1 7 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.872 0.140 18099 5029 1 7 . 1 1 45 45 LEU CB C 22 43.157 43.157 41.088 2.069 18099 5030 1 7 . 1 1 45 45 LEU H H 22 7.350 7.350 7.746 -0.396 18099 5031 1 7 . 1 1 46 46 THR N N 23 111.076 111.076 118.485 -7.409 18099 5032 1 7 . 1 1 46 46 THR C C 23 176.002 176.002 174.799 1.203 18099 5033 1 7 . 1 1 46 46 THR CA C 23 60.468 60.468 62.243 -1.775 18099 5034 1 7 . 1 1 46 46 THR CB C 23 71.212 71.212 69.921 1.291 18099 5035 1 7 . 1 1 46 46 THR H H 23 8.666 8.666 8.245 0.421 18099 5036 1 7 . 1 1 47 47 LYS N N 24 120.260 120.260 118.669 1.591 18099 5037 1 7 . 1 1 47 47 LYS C C 24 178.231 178.231 178.627 -0.396 18099 5038 1 7 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.448 3.101 18099 5039 1 7 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.513 -2.095 18099 5040 1 7 . 1 1 47 47 LYS H H 24 8.598 8.598 8.260 0.338 18099 5041 1 7 . 1 1 48 48 GLN N N 25 116.324 116.324 121.405 -5.081 18099 5042 1 7 . 1 1 48 48 GLN C C 25 179.047 179.047 178.078 0.969 18099 5043 1 7 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.254 -0.293 18099 5044 1 7 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.640 -1.367 18099 5045 1 7 . 1 1 48 48 GLN H H 25 8.390 8.390 8.539 -0.149 18099 5046 1 7 . 1 1 49 49 GLU N N 26 119.677 119.677 120.035 -0.358 18099 5047 1 7 . 1 1 49 49 GLU C C 26 179.804 179.804 179.399 0.405 18099 5048 1 7 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.410 -0.341 18099 5049 1 7 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.541 0.784 18099 5050 1 7 . 1 1 49 49 GLU H H 26 7.644 7.644 7.943 -0.299 18099 5051 1 7 . 1 1 50 50 ILE N N 27 123.613 123.613 119.329 4.284 18099 5052 1 7 . 1 1 50 50 ILE C C 27 177.634 177.634 178.130 -0.496 18099 5053 1 7 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.722 2.587 18099 5054 1 7 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.712 0.360 18099 5055 1 7 . 1 1 50 50 ILE H H 27 8.344 8.344 7.553 0.791 18099 5056 1 7 . 1 1 51 51 LEU N N 28 120.697 120.697 122.450 -1.753 18099 5057 1 7 . 1 1 51 51 LEU C C 28 180.620 180.620 178.849 1.771 18099 5058 1 7 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.144 -0.043 18099 5059 1 7 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.688 -0.942 18099 5060 1 7 . 1 1 51 51 LEU H H 28 8.046 8.046 8.141 -0.095 18099 5061 1 7 . 1 1 52 52 LEU N N 29 121.426 121.426 120.106 1.320 18099 5062 1 7 . 1 1 52 52 LEU C C 29 178.968 178.968 178.421 0.547 18099 5063 1 7 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.612 0.058 18099 5064 1 7 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.294 -0.721 18099 5065 1 7 . 1 1 52 52 LEU H H 29 7.998 7.998 8.233 -0.235 18099 5066 1 7 . 1 1 53 53 ALA N N 30 122.447 122.447 121.370 1.077 18099 5067 1 7 . 1 1 53 53 ALA C C 30 179.804 179.804 179.309 0.495 18099 5068 1 7 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.194 0.002 18099 5069 1 7 . 1 1 53 53 ALA CB C 30 18.104 18.104 17.895 0.209 18099 5070 1 7 . 1 1 53 53 ALA H H 30 8.380 8.380 8.260 0.120 18099 5071 1 7 . 1 1 54 54 HIS N N 31 118.656 118.656 119.165 -0.509 18099 5072 1 7 . 1 1 54 54 HIS C C 31 177.475 177.475 177.274 0.201 18099 5073 1 7 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.281 2.478 18099 5074 1 7 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.209 0.409 18099 5075 1 7 . 1 1 54 54 HIS H H 31 8.760 8.760 8.330 0.430 18099 5076 1 7 . 1 1 55 55 ARG N N 32 121.135 121.135 119.058 2.077 18099 5077 1 7 . 1 1 55 55 ARG C C 32 179.366 179.366 178.631 0.735 18099 5078 1 7 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.377 0.230 18099 5079 1 7 . 1 1 55 55 ARG CB C 32 28.965 28.965 30.024 -1.059 18099 5080 1 7 . 1 1 55 55 ARG H H 32 7.926 7.926 7.722 0.204 18099 5081 1 7 . 1 1 56 56 ARG N N 33 118.219 118.219 118.589 -0.370 18099 5082 1 7 . 1 1 56 56 ARG C C 33 178.669 178.669 179.233 -0.564 18099 5083 1 7 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.440 -0.292 18099 5084 1 7 . 1 1 56 56 ARG CB C 33 29.158 29.158 30.278 -1.120 18099 5085 1 7 . 1 1 56 56 ARG H H 33 8.302 8.302 7.909 0.393 18099 5086 1 7 . 1 1 57 57 PHE N N 34 120.989 120.989 117.737 3.252 18099 5087 1 7 . 1 1 57 57 PHE C C 34 177.435 177.435 177.527 -0.092 18099 5088 1 7 . 1 1 57 57 PHE CA C 34 61.221 61.221 59.806 1.415 18099 5089 1 7 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.380 1.169 18099 5090 1 7 . 1 1 57 57 PHE H H 34 8.675 8.675 8.471 0.204 18099 5091 1 7 . 1 1 58 58 CYS N N 35 114.283 114.283 118.470 -4.187 18099 5092 1 7 . 1 1 58 58 CYS C C 35 176.958 176.958 176.021 0.937 18099 5093 1 7 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.542 2.261 18099 5094 1 7 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.788 -0.172 18099 5095 1 7 . 1 1 58 58 CYS H H 35 8.147 8.147 7.704 0.443 18099 5096 1 7 . 1 1 59 59 GLU N N 36 116.615 116.615 118.670 -2.055 18099 5097 1 7 . 1 1 59 59 GLU C C 36 177.276 177.276 177.721 -0.445 18099 5098 1 7 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.674 -0.788 18099 5099 1 7 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.663 -1.030 18099 5100 1 7 . 1 1 59 59 GLU H H 36 7.237 7.237 7.491 -0.254 18099 5101 1 7 . 1 1 60 60 LEU N N 37 116.615 116.615 117.647 -1.032 18099 5102 1 7 . 1 1 60 60 LEU C C 37 176.778 176.778 177.404 -0.626 18099 5103 1 7 . 1 1 60 60 LEU CA C 37 54.120 54.120 56.159 -2.039 18099 5104 1 7 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.057 -1.298 18099 5105 1 7 . 1 1 60 60 LEU H H 37 7.188 7.188 7.355 -0.167 18099 5106 1 7 . 1 1 61 61 LEU N N 38 119.531 119.531 119.106 0.425 18099 5107 1 7 . 1 1 61 61 LEU C C 38 174.848 174.848 174.678 0.170 18099 5108 1 7 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.712 0.041 18099 5109 1 7 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.644 -1.926 18099 5110 1 7 . 1 1 61 61 LEU H H 38 7.060 7.060 7.220 -0.160 18099 5111 1 7 . 1 1 63 63 GLN C C 40 177.754 177.754 178.307 -0.553 18099 5112 1 7 . 1 1 63 63 GLN CA C 40 59.266 59.266 59.128 0.138 18099 5113 1 7 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.282 -0.442 18099 5114 1 7 . 1 1 64 64 GLU N N 41 117.053 117.053 117.965 -0.912 18099 5115 1 7 . 1 1 64 64 GLU C C 41 177.276 177.276 178.049 -0.773 18099 5116 1 7 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.331 -0.123 18099 5117 1 7 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.317 -1.411 18099 5118 1 7 . 1 1 64 64 GLU H H 41 9.287 9.287 8.513 0.774 18099 5119 1 7 . 1 1 65 65 GLN N N 42 119.094 119.094 117.592 1.502 18099 5120 1 7 . 1 1 65 65 GLN C C 42 174.171 174.171 176.040 -1.869 18099 5121 1 7 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.034 -0.269 18099 5122 1 7 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.395 0.874 18099 5123 1 7 . 1 1 65 65 GLN H H 42 8.006 8.006 8.136 -0.130 18099 5124 1 7 . 1 1 66 66 ARG N N 43 115.157 115.157 119.425 -4.268 18099 5125 1 7 . 1 1 66 66 ARG C C 43 176.221 176.221 176.019 0.202 18099 5126 1 7 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.143 -0.011 18099 5127 1 7 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.338 -1.160 18099 5128 1 7 . 1 1 66 66 ARG H H 43 7.039 7.039 7.349 -0.310 18099 5129 1 7 . 1 1 67 67 SER N N 44 114.720 114.720 115.665 -0.945 18099 5130 1 7 . 1 1 67 67 SER C C 44 175.505 175.505 175.981 -0.476 18099 5131 1 7 . 1 1 67 67 SER CA C 44 57.532 57.532 58.790 -1.258 18099 5132 1 7 . 1 1 67 67 SER CB C 44 63.911 63.911 63.803 0.108 18099 5133 1 7 . 1 1 67 67 SER H H 44 7.641 7.641 7.947 -0.306 18099 5134 1 7 . 1 1 68 68 VAL C C 45 178.271 178.271 177.506 0.765 18099 5135 1 7 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.266 2.070 18099 5136 1 7 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.962 -1.551 18099 5137 1 7 . 1 1 69 69 GLU N N 46 118.365 118.365 119.396 -1.031 18099 5138 1 7 . 1 1 69 69 GLU C C 46 179.187 179.187 177.528 1.659 18099 5139 1 7 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.011 0.704 18099 5140 1 7 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.175 -0.963 18099 5141 1 7 . 1 1 69 69 GLU H H 46 8.862 8.862 8.612 0.250 18099 5142 1 7 . 1 1 70 70 SER N N 47 114.137 114.137 113.511 0.626 18099 5143 1 7 . 1 1 70 70 SER C C 47 178.251 178.251 175.651 2.600 18099 5144 1 7 . 1 1 70 70 SER CA C 47 61.113 61.113 60.861 0.252 18099 5145 1 7 . 1 1 70 70 SER CB C 47 62.543 62.543 63.961 -1.418 18099 5146 1 7 . 1 1 70 70 SER H H 47 7.588 7.588 7.629 -0.041 18099 5147 1 7 . 1 1 71 71 SER N N 48 121.280 121.280 119.301 1.979 18099 5148 1 7 . 1 1 71 71 SER C C 48 176.102 176.102 175.706 0.396 18099 5149 1 7 . 1 1 71 71 SER CA C 48 61.544 61.544 61.511 0.033 18099 5150 1 7 . 1 1 71 71 SER CB C 48 63.348 63.348 63.318 0.030 18099 5151 1 7 . 1 1 71 71 SER H H 48 8.785 8.785 7.630 1.155 18099 5152 1 7 . 1 1 72 72 LEU N N 49 120.551 120.551 120.301 0.250 18099 5153 1 7 . 1 1 72 72 LEU C C 49 177.555 177.555 178.635 -1.080 18099 5154 1 7 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.302 -0.138 18099 5155 1 7 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.243 -2.063 18099 5156 1 7 . 1 1 72 72 LEU H H 49 7.216 7.216 8.191 -0.975 18099 5157 1 7 . 1 1 73 73 ARG N N 50 116.469 116.469 117.690 -1.221 18099 5158 1 7 . 1 1 73 73 ARG C C 50 175.942 175.942 175.803 0.139 18099 5159 1 7 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.439 -1.674 18099 5160 1 7 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.360 -0.679 18099 5161 1 7 . 1 1 73 73 ARG H H 50 7.394 7.394 8.143 -0.749 18099 5162 1 7 . 1 1 74 74 ALA N N 51 123.904 123.904 121.166 2.738 18099 5163 1 7 . 1 1 74 74 ALA C C 51 176.778 176.778 175.843 0.935 18099 5164 1 7 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.126 1.165 18099 5165 1 7 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.078 -0.030 18099 5166 1 7 . 1 1 74 74 ALA H H 51 7.263 7.263 7.516 -0.253 18099 5167 1 7 . 1 1 75 75 GLN N N 52 118.073 118.073 119.737 -1.664 18099 5168 1 7 . 1 1 75 75 GLN C C 52 175.524 175.524 175.603 -0.079 18099 5169 1 7 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.077 -1.280 18099 5170 1 7 . 1 1 75 75 GLN CB C 52 30.216 30.216 29.894 0.322 18099 5171 1 7 . 1 1 75 75 GLN H H 52 8.283 8.283 8.398 -0.115 18099 5172 1 7 . 1 1 76 76 VAL N N 53 124.925 124.925 121.441 3.484 18099 5173 1 7 . 1 1 76 76 VAL C C 53 173.753 173.753 173.881 -0.128 18099 5174 1 7 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.443 0.411 18099 5175 1 7 . 1 1 76 76 VAL CB C 53 33.022 33.022 34.253 -1.231 18099 5176 1 7 . 1 1 76 76 VAL H H 53 9.093 9.093 8.162 0.931 18099 5177 1 7 . 1 1 77 77 PRO C C 54 178.132 178.132 177.095 1.037 18099 5178 1 7 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.496 -1.325 18099 5179 1 7 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.381 -0.125 18099 5180 1 7 . 1 1 78 78 PHE N N 55 120.406 120.406 119.832 0.574 18099 5181 1 7 . 1 1 78 78 PHE C C 55 177.236 177.236 177.561 -0.325 18099 5182 1 7 . 1 1 78 78 PHE CA C 55 57.886 57.886 60.683 -2.797 18099 5183 1 7 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.481 -3.214 18099 5184 1 7 . 1 1 78 78 PHE H H 55 7.897 7.897 8.593 -0.696 18099 5185 1 7 . 1 1 79 79 GLU N N 56 117.636 117.636 118.750 -1.114 18099 5186 1 7 . 1 1 79 79 GLU C C 56 178.410 178.410 178.167 0.243 18099 5187 1 7 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.676 0.469 18099 5188 1 7 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.021 0.356 18099 5189 1 7 . 1 1 79 79 GLU H H 56 9.202 9.202 8.962 0.240 18099 5190 1 7 . 1 1 80 80 GLN N N 57 114.429 114.429 117.712 -3.283 18099 5191 1 7 . 1 1 80 80 GLN C C 57 178.012 178.012 178.335 -0.323 18099 5192 1 7 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.504 -1.157 18099 5193 1 7 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.061 1.292 18099 5194 1 7 . 1 1 80 80 GLN H H 57 7.332 7.332 8.620 -1.288 18099 5195 1 7 . 1 1 81 81 ILE N N 58 120.989 120.989 117.705 3.284 18099 5196 1 7 . 1 1 81 81 ILE C C 58 177.236 177.236 178.539 -1.303 18099 5197 1 7 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.014 -1.223 18099 5198 1 7 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.511 -1.219 18099 5199 1 7 . 1 1 81 81 ILE H H 58 7.375 7.375 7.789 -0.414 18099 5200 1 7 . 1 1 82 82 LEU N N 59 116.469 116.469 119.564 -3.095 18099 5201 1 7 . 1 1 82 82 LEU C C 59 176.360 176.360 177.031 -0.671 18099 5202 1 7 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.691 -0.312 18099 5203 1 7 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.492 -0.817 18099 5204 1 7 . 1 1 82 82 LEU H H 59 8.144 8.144 7.174 0.970 18099 5205 1 7 . 1 1 83 83 SER N N 60 110.347 110.347 112.932 -2.585 18099 5206 1 7 . 1 1 83 83 SER C C 60 174.708 174.708 174.506 0.202 18099 5207 1 7 . 1 1 83 83 SER CA C 60 58.316 58.316 59.067 -0.751 18099 5208 1 7 . 1 1 83 83 SER CB C 60 64.074 64.074 62.504 1.570 18099 5209 1 7 . 1 1 83 83 SER H H 60 7.038 7.038 7.466 -0.428 18099 5210 1 7 . 1 1 84 84 LEU N N 61 124.633 124.633 122.956 1.677 18099 5211 1 7 . 1 1 84 84 LEU C C 61 176.599 176.599 174.858 1.741 18099 5212 1 7 . 1 1 84 84 LEU CA C 61 53.689 53.689 51.901 1.788 18099 5213 1 7 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.151 -2.748 18099 5214 1 7 . 1 1 84 84 LEU H H 61 7.674 7.674 7.298 0.376 18099 5215 1 7 . 1 1 85 85 PRO C C 62 178.457 178.457 178.769 -0.312 18099 5216 1 7 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.418 -0.090 18099 5217 1 7 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.896 -0.986 18099 5218 1 7 . 1 1 86 86 GLU N N 63 117.198 117.198 118.103 -0.905 18099 5219 1 7 . 1 1 86 86 GLU C C 63 176.280 176.280 177.901 -1.621 18099 5220 1 7 . 1 1 86 86 GLU CA C 63 59.694 59.694 58.906 0.788 18099 5221 1 7 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.247 -1.522 18099 5222 1 7 . 1 1 86 86 GLU H H 63 10.005 10.005 8.852 1.153 18099 5223 1 7 . 1 1 87 87 LEU N N 64 115.595 115.595 118.752 -3.157 18099 5224 1 7 . 1 1 87 87 LEU C C 64 178.197 178.197 179.408 -1.211 18099 5225 1 7 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.133 -1.871 18099 5226 1 7 . 1 1 87 87 LEU CB C 64 43.794 43.794 42.294 1.500 18099 5227 1 7 . 1 1 87 87 LEU H H 64 7.347 7.347 7.849 -0.502 18099 5228 1 7 . 1 1 88 88 LYS N N 65 119.677 119.677 121.220 -1.543 18099 5229 1 7 . 1 1 88 88 LYS C C 65 176.891 176.891 177.897 -1.006 18099 5230 1 7 . 1 1 88 88 LYS CA C 65 59.957 59.957 59.017 0.941 18099 5231 1 7 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.509 -0.979 18099 5232 1 7 . 1 1 88 88 LYS H H 65 7.841 7.841 8.053 -0.212 18099 5233 1 7 . 1 1 89 89 ALA C C 66 176.503 176.503 177.167 -0.664 18099 5234 1 7 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.265 -2.439 18099 5235 1 7 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.691 -0.596 18099 5236 1 7 . 1 1 90 90 ASN N N 67 123.467 123.467 118.064 5.403 18099 5237 1 7 . 1 1 90 90 ASN C C 67 175.955 175.955 173.895 2.060 18099 5238 1 7 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.378 0.552 18099 5239 1 7 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.579 1.611 18099 5240 1 7 . 1 1 90 90 ASN H H 67 7.847 7.847 7.351 0.496 18099 5241 1 7 . 1 1 91 91 PRO C C 68 176.918 176.918 174.914 2.004 18099 5242 1 7 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.648 0.245 18099 5243 1 7 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.279 0.073 18099 5244 1 7 . 1 1 92 92 PHE N N 69 116.178 116.178 113.207 2.971 18099 5245 1 7 . 1 1 92 92 PHE C C 69 176.977 176.977 175.781 1.196 18099 5246 1 7 . 1 1 92 92 PHE CA C 69 56.917 56.917 56.168 0.749 18099 5247 1 7 . 1 1 92 92 PHE CB C 69 38.077 38.077 37.684 0.393 18099 5248 1 7 . 1 1 92 92 PHE H H 69 9.006 9.006 7.450 1.556 18099 5249 1 7 . 1 1 93 93 LYS N N 70 119.385 119.385 122.206 -2.821 18099 5250 1 7 . 1 1 93 93 LYS C C 70 175.982 175.982 177.832 -1.850 18099 5251 1 7 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.939 0.529 18099 5252 1 7 . 1 1 93 93 LYS CB C 70 31.026 31.026 32.032 -1.006 18099 5253 1 7 . 1 1 93 93 LYS H H 70 7.693 7.693 7.939 -0.246 18099 5254 1 7 . 1 1 94 94 GLU N N 71 120.406 120.406 119.790 0.616 18099 5255 1 7 . 1 1 94 94 GLU C C 71 179.007 179.007 179.133 -0.126 18099 5256 1 7 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.589 0.987 18099 5257 1 7 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.264 -1.182 18099 5258 1 7 . 1 1 94 94 GLU H H 71 8.549 8.549 8.780 -0.231 18099 5259 1 7 . 1 1 95 95 ARG N N 72 119.677 119.677 119.439 0.238 18099 5260 1 7 . 1 1 95 95 ARG C C 72 178.112 178.112 178.980 -0.868 18099 5261 1 7 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.247 -2.760 18099 5262 1 7 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.213 -1.506 18099 5263 1 7 . 1 1 95 95 ARG H H 72 7.495 7.495 7.447 0.048 18099 5264 1 7 . 1 1 96 96 ILE N N 73 119.094 119.094 121.030 -1.936 18099 5265 1 7 . 1 1 96 96 ILE C C 73 177.276 177.276 177.834 -0.558 18099 5266 1 7 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.559 0.504 18099 5267 1 7 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.954 -0.725 18099 5268 1 7 . 1 1 96 96 ILE H H 73 8.535 8.535 8.511 0.024 18099 5269 1 7 . 1 1 97 97 CYS N N 74 115.157 115.157 117.883 -2.726 18099 5270 1 7 . 1 1 97 97 CYS C C 74 174.848 174.848 176.788 -1.940 18099 5271 1 7 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.592 2.502 18099 5272 1 7 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.239 -1.672 18099 5273 1 7 . 1 1 97 97 CYS H H 74 7.235 7.235 7.931 -0.696 18099 5274 1 7 . 1 1 98 98 ARG N N 75 115.886 115.886 121.065 -5.179 18099 5275 1 7 . 1 1 98 98 ARG C C 75 178.470 178.470 177.809 0.661 18099 5276 1 7 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.527 -0.028 18099 5277 1 7 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.069 -0.770 18099 5278 1 7 . 1 1 98 98 ARG H H 75 7.136 7.136 7.880 -0.744 18099 5279 1 7 . 1 1 99 99 VAL N N 76 117.198 117.198 116.869 0.329 18099 5280 1 7 . 1 1 99 99 VAL C C 76 177.236 177.236 177.347 -0.111 18099 5281 1 7 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.179 -0.192 18099 5282 1 7 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.843 -0.996 18099 5283 1 7 . 1 1 99 99 VAL H H 76 8.043 8.043 7.993 0.050 18099 5284 1 7 . 1 1 100 100 PHE N N 77 115.595 115.595 117.657 -2.062 18099 5285 1 7 . 1 1 100 100 PHE C C 77 175.007 175.007 175.794 -0.787 18099 5286 1 7 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.033 1.435 18099 5287 1 7 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.478 -1.692 18099 5288 1 7 . 1 1 100 100 PHE H H 77 7.436 7.436 7.816 -0.380 18099 5289 1 7 . 1 1 101 101 SER N N 78 112.533 112.533 113.927 -1.394 18099 5290 1 7 . 1 1 101 101 SER C C 78 177.156 177.156 174.014 3.142 18099 5291 1 7 . 1 1 101 101 SER CA C 78 58.639 58.639 58.430 0.209 18099 5292 1 7 . 1 1 101 101 SER CB C 78 64.208 64.208 64.327 -0.119 18099 5293 1 7 . 1 1 101 101 SER H H 78 7.156 7.156 8.065 -0.909 18099 5294 1 7 . 1 1 102 102 THR N N 79 120.551 120.551 116.344 4.207 18099 5295 1 7 . 1 1 102 102 THR C C 79 175.763 175.763 173.741 2.022 18099 5296 1 7 . 1 1 102 102 THR CA C 79 61.328 61.328 60.922 0.406 18099 5297 1 7 . 1 1 102 102 THR CB C 79 68.647 68.647 69.270 -0.623 18099 5298 1 7 . 1 1 102 102 THR H H 79 9.267 9.267 8.015 1.252 18099 5299 1 7 . 1 1 103 103 SER N N 80 121.280 121.280 123.043 -1.763 18099 5300 1 7 . 1 1 103 103 SER C C 80 175.743 175.743 172.877 2.866 18099 5301 1 7 . 1 1 103 103 SER CA C 80 56.164 56.164 56.602 -0.438 18099 5302 1 7 . 1 1 103 103 SER CB C 80 63.221 63.221 64.425 -1.204 18099 5303 1 7 . 1 1 103 103 SER H H 80 8.120 8.120 8.369 -0.249 18099 5304 1 7 . 1 1 104 104 PRO C C 81 177.654 177.654 176.458 1.196 18099 5305 1 7 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.403 0.996 18099 5306 1 7 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.028 -0.646 18099 5307 1 7 . 1 1 105 105 ALA N N 82 117.927 117.927 119.768 -1.841 18099 5308 1 7 . 1 1 105 105 ALA C C 82 177.077 177.077 176.484 0.593 18099 5309 1 7 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.308 0.122 18099 5310 1 7 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.599 -1.575 18099 5311 1 7 . 1 1 105 105 ALA H H 82 7.961 7.961 8.056 -0.095 18099 5312 1 7 . 1 1 106 106 LYS N N 83 115.449 115.449 114.993 0.456 18099 5313 1 7 . 1 1 106 106 LYS C C 83 175.206 175.206 174.979 0.227 18099 5314 1 7 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.726 -0.885 18099 5315 1 7 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.675 -1.215 18099 5316 1 7 . 1 1 106 106 LYS H H 83 7.984 7.984 7.978 0.006 18099 5317 1 7 . 1 1 107 107 ASP N N 84 112.242 112.242 114.543 -2.301 18099 5318 1 7 . 1 1 107 107 ASP C C 84 175.823 175.823 176.099 -0.276 18099 5319 1 7 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.269 -1.978 18099 5320 1 7 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.889 -0.293 18099 5321 1 7 . 1 1 107 107 ASP H H 84 7.670 7.670 8.151 -0.481 18099 5322 1 7 . 1 1 108 108 SER N N 85 113.554 113.554 112.661 0.893 18099 5323 1 7 . 1 1 108 108 SER C C 85 172.897 172.897 173.034 -0.137 18099 5324 1 7 . 1 1 108 108 SER CA C 85 57.132 57.132 57.106 0.026 18099 5325 1 7 . 1 1 108 108 SER CB C 85 65.347 65.347 66.322 -0.975 18099 5326 1 7 . 1 1 108 108 SER H H 85 7.271 7.271 7.376 -0.105 18099 5327 1 7 . 1 1 109 109 LEU N N 86 121.426 121.426 119.789 1.637 18099 5328 1 7 . 1 1 109 109 LEU C C 86 176.400 176.400 176.375 0.025 18099 5329 1 7 . 1 1 109 109 LEU CA C 86 54.550 54.550 53.399 1.151 18099 5330 1 7 . 1 1 109 109 LEU CB C 86 44.020 44.020 44.979 -0.959 18099 5331 1 7 . 1 1 109 109 LEU H H 86 9.179 9.179 8.043 1.136 18099 5332 1 7 . 1 1 110 110 SER N N 87 117.927 117.927 114.278 3.649 18099 5333 1 7 . 1 1 110 110 SER C C 87 174.808 174.808 173.935 0.873 18099 5334 1 7 . 1 1 110 110 SER CA C 87 56.056 56.056 56.960 -0.904 18099 5335 1 7 . 1 1 110 110 SER CB C 87 65.644 65.644 64.599 1.045 18099 5336 1 7 . 1 1 110 110 SER H H 87 8.305 8.305 8.307 -0.002 18099 5337 1 7 . 1 1 111 111 PHE N N 88 122.592 122.592 123.472 -0.880 18099 5338 1 7 . 1 1 111 111 PHE C C 88 176.798 176.798 176.201 0.597 18099 5339 1 7 . 1 1 111 111 PHE CA C 88 60.468 60.468 57.611 2.857 18099 5340 1 7 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.514 -1.354 18099 5341 1 7 . 1 1 111 111 PHE H H 88 9.850 9.850 8.618 1.232 18099 5342 1 7 . 1 1 112 112 GLU N N 89 117.782 117.782 121.901 -4.119 18099 5343 1 7 . 1 1 112 112 GLU C C 89 178.490 178.490 178.420 0.070 18099 5344 1 7 . 1 1 112 112 GLU CA C 89 60.145 60.145 58.890 1.255 18099 5345 1 7 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.742 -0.695 18099 5346 1 7 . 1 1 112 112 GLU H H 89 8.233 8.233 7.077 1.156 18099 5347 1 7 . 1 1 113 113 ASP N N 90 121.572 121.572 119.328 2.244 18099 5348 1 7 . 1 1 113 113 ASP C C 90 177.714 177.714 178.805 -1.091 18099 5349 1 7 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.261 -0.236 18099 5350 1 7 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.627 1.072 18099 5351 1 7 . 1 1 113 113 ASP H H 90 7.691 7.691 8.544 -0.853 18099 5352 1 7 . 1 1 114 114 PHE N N 91 121.135 121.135 120.339 0.796 18099 5353 1 7 . 1 1 114 114 PHE C C 91 176.460 176.460 176.932 -0.472 18099 5354 1 7 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.636 -1.599 18099 5355 1 7 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.114 0.087 18099 5356 1 7 . 1 1 114 114 PHE H H 91 8.214 8.214 7.969 0.245 18099 5357 1 7 . 1 1 115 115 LEU N N 92 118.365 118.365 119.451 -1.086 18099 5358 1 7 . 1 1 115 115 LEU C C 92 179.187 179.187 178.320 0.867 18099 5359 1 7 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.658 -0.526 18099 5360 1 7 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.752 -1.476 18099 5361 1 7 . 1 1 115 115 LEU H H 92 8.189 8.189 7.618 0.571 18099 5362 1 7 . 1 1 116 116 ASP N N 93 120.843 120.843 120.254 0.589 18099 5363 1 7 . 1 1 116 116 ASP C C 93 177.336 177.336 178.808 -1.472 18099 5364 1 7 . 1 1 116 116 ASP CA C 93 57.240 57.240 58.098 -0.858 18099 5365 1 7 . 1 1 116 116 ASP CB C 93 39.864 39.864 41.083 -1.219 18099 5366 1 7 . 1 1 116 116 ASP H H 93 7.640 7.640 7.796 -0.156 18099 5367 1 7 . 1 1 117 117 LEU N N 94 122.447 122.447 122.066 0.381 18099 5368 1 7 . 1 1 117 117 LEU C C 94 177.853 177.853 178.087 -0.234 18099 5369 1 7 . 1 1 117 117 LEU CA C 94 57.563 57.563 58.235 -0.672 18099 5370 1 7 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.649 -0.979 18099 5371 1 7 . 1 1 117 117 LEU H H 94 7.480 7.480 8.254 -0.774 18099 5372 1 7 . 1 1 118 118 LEU N N 95 116.907 116.907 119.667 -2.760 18099 5373 1 7 . 1 1 118 118 LEU C C 95 180.923 180.923 178.749 2.174 18099 5374 1 7 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.792 -0.552 18099 5375 1 7 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.249 -0.921 18099 5376 1 7 . 1 1 118 118 LEU H H 95 7.892 7.892 7.533 0.359 18099 5377 1 7 . 1 1 119 119 SER N N 96 116.032 116.032 114.602 1.430 18099 5378 1 7 . 1 1 119 119 SER C C 96 176.343 176.343 176.941 -0.598 18099 5379 1 7 . 1 1 119 119 SER H H 96 8.410 8.410 7.604 0.806 18099 5380 1 7 . 1 1 120 120 VAL N N 97 119.385 119.385 121.700 -2.315 18099 5381 1 7 . 1 1 120 120 VAL C C 97 176.280 176.280 177.341 -1.061 18099 5382 1 7 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.088 -1.062 18099 5383 1 7 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.686 -1.635 18099 5384 1 7 . 1 1 120 120 VAL H H 97 7.255 7.255 8.230 -0.975 18099 5385 1 7 . 1 1 121 121 PHE N N 98 116.761 116.761 117.338 -0.577 18099 5386 1 7 . 1 1 121 121 PHE C C 98 176.206 176.206 175.673 0.533 18099 5387 1 7 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.122 1.075 18099 5388 1 7 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.315 -0.421 18099 5389 1 7 . 1 1 121 121 PHE H H 98 7.151 7.151 8.381 -1.230 18099 5390 1 7 . 1 1 122 122 SER N N 99 115.449 115.449 114.183 1.266 18099 5391 1 7 . 1 1 122 122 SER C C 99 177.006 177.006 175.119 1.887 18099 5392 1 7 . 1 1 122 122 SER CA C 99 58.486 58.486 60.209 -1.723 18099 5393 1 7 . 1 1 122 122 SER CB C 99 63.834 63.834 63.966 -0.132 18099 5394 1 7 . 1 1 122 122 SER H H 99 7.270 7.270 7.649 -0.379 18099 5395 1 7 . 1 1 123 123 ASP C C 100 177.042 177.042 177.370 -0.328 18099 5396 1 7 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.299 0.880 18099 5397 1 7 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.443 -2.207 18099 5398 1 7 . 1 1 124 124 THR N N 101 111.076 111.076 115.929 -4.853 18099 5399 1 7 . 1 1 124 124 THR C C 101 174.909 174.909 175.026 -0.117 18099 5400 1 7 . 1 1 124 124 THR CA C 101 62.052 62.052 64.211 -2.159 18099 5401 1 7 . 1 1 124 124 THR CB C 101 68.486 68.486 68.917 -0.431 18099 5402 1 7 . 1 1 124 124 THR H H 101 8.147 8.147 7.955 0.192 18099 5403 1 7 . 1 1 125 125 ALA N N 102 124.196 124.196 125.040 -0.844 18099 5404 1 7 . 1 1 125 125 ALA C C 102 176.760 176.760 176.558 0.202 18099 5405 1 7 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.171 -0.668 18099 5406 1 7 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.718 0.574 18099 5407 1 7 . 1 1 125 125 ALA H H 102 6.801 6.801 7.360 -0.559 18099 5408 1 7 . 1 1 126 126 THR N N 103 111.513 111.513 116.494 -4.981 18099 5409 1 7 . 1 1 126 126 THR C C 103 173.925 173.925 174.377 -0.452 18099 5410 1 7 . 1 1 126 126 THR CA C 103 59.311 59.311 59.030 0.281 18099 5411 1 7 . 1 1 126 126 THR CB C 103 67.581 67.581 68.947 -1.366 18099 5412 1 7 . 1 1 126 126 THR H H 103 6.254 6.254 7.492 -1.238 18099 5413 1 7 . 1 1 127 127 PRO C C 104 178.402 178.402 178.426 -0.024 18099 5414 1 7 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.257 -1.123 18099 5415 1 7 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.615 -1.066 18099 5416 1 7 . 1 1 128 128 ASP N N 105 116.469 116.469 116.143 0.326 18099 5417 1 7 . 1 1 128 128 ASP C C 105 178.059 178.059 178.470 -0.411 18099 5418 1 7 . 1 1 128 128 ASP CA C 105 56.868 56.868 56.969 -0.101 18099 5419 1 7 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.306 -0.960 18099 5420 1 7 . 1 1 128 128 ASP H H 105 8.341 8.341 8.571 -0.230 18099 5421 1 7 . 1 1 129 129 ILE N N 106 122.738 122.738 120.373 2.365 18099 5422 1 7 . 1 1 129 129 ILE C C 106 178.111 178.111 178.088 0.023 18099 5423 1 7 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.914 0.335 18099 5424 1 7 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.778 -0.029 18099 5425 1 7 . 1 1 129 129 ILE H H 106 7.443 7.443 7.516 -0.073 18099 5426 1 7 . 1 1 130 130 LYS N N 107 119.677 119.677 120.379 -0.702 18099 5427 1 7 . 1 1 130 130 LYS C C 107 178.667 178.667 179.173 -0.506 18099 5428 1 7 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.455 -0.402 18099 5429 1 7 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.330 0.731 18099 5430 1 7 . 1 1 130 130 LYS H H 107 7.599 7.599 8.848 -1.249 18099 5431 1 7 . 1 1 131 131 SER N N 108 113.117 113.117 115.444 -2.327 18099 5432 1 7 . 1 1 131 131 SER C C 108 175.513 175.513 176.833 -1.320 18099 5433 1 7 . 1 1 131 131 SER CA C 108 61.857 61.857 62.047 -0.190 18099 5434 1 7 . 1 1 131 131 SER CB C 108 63.068 63.068 62.234 0.834 18099 5435 1 7 . 1 1 131 131 SER H H 108 8.470 8.470 8.016 0.454 18099 5436 1 7 . 1 1 132 132 HIS N N 109 123.175 123.175 123.901 -0.726 18099 5437 1 7 . 1 1 132 132 HIS C C 109 178.143 178.143 177.912 0.231 18099 5438 1 7 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.512 -1.240 18099 5439 1 7 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.119 -0.239 18099 5440 1 7 . 1 1 132 132 HIS H H 109 7.991 7.991 7.759 0.232 18099 5441 1 7 . 1 1 133 133 TYR N N 110 115.595 115.595 118.230 -2.635 18099 5442 1 7 . 1 1 133 133 TYR C C 110 177.946 177.946 177.985 -0.039 18099 5443 1 7 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.414 2.061 18099 5444 1 7 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.864 -0.107 18099 5445 1 7 . 1 1 133 133 TYR H H 110 8.060 8.060 8.931 -0.871 18099 5446 1 7 . 1 1 134 134 ALA N N 111 122.009 122.009 122.699 -0.690 18099 5447 1 7 . 1 1 134 134 ALA C C 111 175.937 175.937 179.016 -3.079 18099 5448 1 7 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.106 0.088 18099 5449 1 7 . 1 1 134 134 ALA CB C 111 17.798 17.798 18.266 -0.468 18099 5450 1 7 . 1 1 134 134 ALA H H 111 8.293 8.293 8.797 -0.504 18099 5451 1 7 . 1 1 135 135 PHE N N 112 116.615 116.615 120.244 -3.629 18099 5452 1 7 . 1 1 135 135 PHE C C 112 175.710 175.710 177.290 -1.580 18099 5453 1 7 . 1 1 135 135 PHE CA C 112 61.706 61.706 60.993 0.713 18099 5454 1 7 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.766 -0.626 18099 5455 1 7 . 1 1 135 135 PHE H H 112 7.589 7.589 8.226 -0.637 18099 5456 1 7 . 1 1 136 136 ARG N N 113 113.262 113.262 118.716 -5.454 18099 5457 1 7 . 1 1 136 136 ARG C C 113 179.471 179.471 178.314 1.157 18099 5458 1 7 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.232 -1.036 18099 5459 1 7 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.071 -1.097 18099 5460 1 7 . 1 1 136 136 ARG H H 113 7.090 7.090 7.648 -0.558 18099 5461 1 7 . 1 1 137 137 ILE N N 114 120.843 120.843 118.679 2.164 18099 5462 1 7 . 1 1 137 137 ILE C C 114 176.198 176.198 177.548 -1.350 18099 5463 1 7 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.057 0.365 18099 5464 1 7 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.198 -2.510 18099 5465 1 7 . 1 1 137 137 ILE H H 114 7.703 7.703 8.018 -0.315 18099 5466 1 7 . 1 1 138 138 PHE N N 115 117.636 117.636 117.784 -0.148 18099 5467 1 7 . 1 1 138 138 PHE C C 115 173.157 173.157 176.259 -3.102 18099 5468 1 7 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.520 -5.049 18099 5469 1 7 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.884 -2.957 18099 5470 1 7 . 1 1 138 138 PHE H H 115 7.185 7.185 8.488 -1.303 18099 5471 1 7 . 1 1 139 139 ASP N N 116 118.365 118.365 119.115 -0.750 18099 5472 1 7 . 1 1 139 139 ASP C C 116 176.437 176.437 177.748 -1.311 18099 5473 1 7 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.447 -2.586 18099 5474 1 7 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.735 -2.721 18099 5475 1 7 . 1 1 139 139 ASP H H 116 6.856 6.856 7.380 -0.524 18099 5476 1 7 . 1 1 140 140 PHE N N 117 121.864 121.864 127.833 -5.969 18099 5477 1 7 . 1 1 140 140 PHE C C 117 176.620 176.620 175.223 1.397 18099 5478 1 7 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.047 1.363 18099 5479 1 7 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.349 -0.095 18099 5480 1 7 . 1 1 140 140 PHE H H 117 7.462 7.462 8.062 -0.600 18099 5481 1 7 . 1 1 141 141 ASP N N 118 114.866 114.866 115.284 -0.418 18099 5482 1 7 . 1 1 141 141 ASP C C 118 176.206 176.206 175.933 0.273 18099 5483 1 7 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.316 -2.782 18099 5484 1 7 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.635 -1.423 18099 5485 1 7 . 1 1 141 141 ASP H H 118 8.048 8.048 8.086 -0.038 18099 5486 1 7 . 1 1 142 142 ASP N N 119 116.761 116.761 116.278 0.483 18099 5487 1 7 . 1 1 142 142 ASP C C 119 175.386 175.386 175.761 -0.375 18099 5488 1 7 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.713 0.651 18099 5489 1 7 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.327 0.748 18099 5490 1 7 . 1 1 142 142 ASP H H 119 8.144 8.144 7.942 0.202 18099 5491 1 7 . 1 1 143 143 ASP N N 120 119.094 119.094 117.058 2.036 18099 5492 1 7 . 1 1 143 143 ASP C C 120 178.404 178.404 177.133 1.271 18099 5493 1 7 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.785 -0.852 18099 5494 1 7 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.390 -0.462 18099 5495 1 7 . 1 1 143 143 ASP H H 120 8.124 8.124 8.191 -0.067 18099 5496 1 7 . 1 1 144 144 GLY N N 121 115.303 115.303 107.833 7.470 18099 5497 1 7 . 1 1 144 144 GLY C C 121 173.571 173.571 174.315 -0.744 18099 5498 1 7 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.270 -0.098 18099 5499 1 7 . 1 1 144 144 GLY H H 121 10.971 10.971 8.670 2.301 18099 5500 1 7 . 1 1 145 145 THR N N 122 110.930 110.930 118.496 -7.566 18099 5501 1 7 . 1 1 145 145 THR C C 122 173.029 173.029 174.179 -1.150 18099 5502 1 7 . 1 1 145 145 THR CA C 122 59.944 59.944 62.865 -2.921 18099 5503 1 7 . 1 1 145 145 THR CB C 122 72.345 72.345 70.157 2.188 18099 5504 1 7 . 1 1 145 145 THR H H 122 7.728 7.728 7.778 -0.050 18099 5505 1 7 . 1 1 146 146 LEU N N 123 125.508 125.508 123.169 2.339 18099 5506 1 7 . 1 1 146 146 LEU C C 123 175.815 175.815 175.638 0.177 18099 5507 1 7 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.240 0.133 18099 5508 1 7 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.587 -5.681 18099 5509 1 7 . 1 1 146 146 LEU H H 123 9.627 9.627 8.248 1.379 18099 5510 1 7 . 1 1 147 147 ASN N N 124 123.904 123.904 119.781 4.123 18099 5511 1 7 . 1 1 147 147 ASN CA C 124 49.532 49.532 50.782 -1.250 18099 5512 1 7 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.403 -1.087 18099 5513 1 7 . 1 1 147 147 ASN H H 124 8.700 8.700 8.327 0.373 18099 5514 1 7 . 1 1 148 148 ARG C C 125 178.331 178.331 178.510 -0.179 18099 5515 1 7 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.628 0.273 18099 5516 1 7 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.024 -0.756 18099 5517 1 7 . 1 1 149 149 GLU N N 126 120.114 120.114 119.608 0.506 18099 5518 1 7 . 1 1 149 149 GLU C C 126 179.537 179.537 179.358 0.179 18099 5519 1 7 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.375 -0.084 18099 5520 1 7 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.291 -1.297 18099 5521 1 7 . 1 1 149 149 GLU H H 126 7.679 7.679 8.544 -0.865 18099 5522 1 7 . 1 1 150 150 ASP N N 127 122.009 122.009 121.463 0.546 18099 5523 1 7 . 1 1 150 150 ASP C C 127 180.544 180.544 178.449 2.095 18099 5524 1 7 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.330 0.772 18099 5525 1 7 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.276 0.302 18099 5526 1 7 . 1 1 150 150 ASP H H 127 8.242 8.242 9.211 -0.969 18099 5527 1 7 . 1 1 151 151 LEU C C 128 178.251 178.251 179.004 -0.753 18099 5528 1 7 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.849 -0.735 18099 5529 1 7 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.702 -0.554 18099 5530 1 7 . 1 1 152 152 SER N N 129 116.324 116.324 114.628 1.696 18099 5531 1 7 . 1 1 152 152 SER C C 129 176.599 176.599 177.294 -0.695 18099 5532 1 7 . 1 1 152 152 SER CA C 129 61.113 61.113 61.495 -0.382 18099 5533 1 7 . 1 1 152 152 SER CB C 129 62.531 62.531 62.696 -0.165 18099 5534 1 7 . 1 1 152 152 SER H H 129 8.293 8.293 8.198 0.095 18099 5535 1 7 . 1 1 153 153 ARG N N 130 122.155 122.155 121.921 0.234 18099 5536 1 7 . 1 1 153 153 ARG C C 130 179.087 179.087 178.331 0.756 18099 5537 1 7 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.845 0.116 18099 5538 1 7 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.183 -2.433 18099 5539 1 7 . 1 1 153 153 ARG H H 130 7.590 7.590 7.628 -0.038 18099 5540 1 7 . 1 1 154 154 LEU N N 131 122.447 122.447 121.563 0.884 18099 5541 1 7 . 1 1 154 154 LEU C C 131 178.570 178.570 178.619 -0.049 18099 5542 1 7 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.064 0.790 18099 5543 1 7 . 1 1 154 154 LEU CB C 131 41.661 41.661 41.980 -0.319 18099 5544 1 7 . 1 1 154 154 LEU H H 131 8.307 8.307 7.739 0.568 18099 5545 1 7 . 1 1 155 155 VAL N N 132 118.802 118.802 114.745 4.057 18099 5546 1 7 . 1 1 155 155 VAL C C 132 178.948 178.948 177.076 1.872 18099 5547 1 7 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.541 -0.048 18099 5548 1 7 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.687 -0.994 18099 5549 1 7 . 1 1 155 155 VAL H H 132 8.438 8.438 8.306 0.132 18099 5550 1 7 . 1 1 156 156 ASN N N 133 119.677 119.677 119.499 0.178 18099 5551 1 7 . 1 1 156 156 ASN C C 133 177.953 177.953 177.607 0.346 18099 5552 1 7 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.864 0.085 18099 5553 1 7 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.130 -0.247 18099 5554 1 7 . 1 1 156 156 ASN H H 133 8.057 8.057 7.668 0.389 18099 5555 1 7 . 1 1 157 157 CYS N N 134 118.219 118.219 119.076 -0.857 18099 5556 1 7 . 1 1 157 157 CYS C C 134 176.122 176.122 177.453 -1.331 18099 5557 1 7 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.004 -1.815 18099 5558 1 7 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.473 -0.544 18099 5559 1 7 . 1 1 157 157 CYS H H 134 7.851 7.851 8.184 -0.333 18099 5560 1 7 . 1 1 158 158 LEU N N 135 117.782 117.782 118.894 -1.112 18099 5561 1 7 . 1 1 158 158 LEU C C 135 178.231 178.231 179.149 -0.918 18099 5562 1 7 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.273 -1.109 18099 5563 1 7 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.658 -0.346 18099 5564 1 7 . 1 1 158 158 LEU H H 135 7.691 7.691 7.742 -0.051 18099 5565 1 7 . 1 1 159 159 THR N N 136 109.763 109.763 113.744 -3.981 18099 5566 1 7 . 1 1 159 159 THR C C 136 175.724 175.724 175.270 0.454 18099 5567 1 7 . 1 1 159 159 THR CA C 136 62.297 62.297 65.491 -3.194 18099 5568 1 7 . 1 1 159 159 THR CB C 136 69.800 69.800 69.236 0.564 18099 5569 1 7 . 1 1 159 159 THR H H 136 7.785 7.785 7.915 -0.130 18099 5570 1 7 . 1 1 160 160 GLY N N 137 110.638 110.638 108.450 2.188 18099 5571 1 7 . 1 1 160 160 GLY C C 137 174.231 174.231 172.407 1.824 18099 5572 1 7 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.755 0.435 18099 5573 1 7 . 1 1 160 160 GLY H H 137 7.797 7.797 7.814 -0.017 18099 5574 1 7 . 1 1 161 161 GLU N N 138 120.260 120.260 122.684 -2.424 18099 5575 1 7 . 1 1 161 161 GLU C C 138 177.043 177.043 177.812 -0.769 18099 5576 1 7 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.438 -0.951 18099 5577 1 7 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.030 -0.314 18099 5578 1 7 . 1 1 161 161 GLU H H 138 8.239 8.239 7.771 0.468 18099 5579 1 7 . 1 1 162 162 GLY N N 139 109.909 109.909 112.368 -2.459 18099 5580 1 7 . 1 1 162 162 GLY C C 139 174.400 174.400 173.225 1.175 18099 5581 1 7 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.922 0.083 18099 5582 1 7 . 1 1 162 162 GLY H H 139 8.221 8.221 8.781 -0.560 18099 5583 1 7 . 1 1 164 164 ASP C C 141 176.480 176.480 176.711 -0.231 18099 5584 1 7 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.828 -0.188 18099 5585 1 7 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.098 -0.714 18099 5586 1 7 . 1 1 165 165 THR N N 142 112.242 112.242 113.300 -1.058 18099 5587 1 7 . 1 1 165 165 THR C C 142 174.251 174.251 174.837 -0.586 18099 5588 1 7 . 1 1 165 165 THR CA C 142 61.436 61.436 62.247 -0.811 18099 5589 1 7 . 1 1 165 165 THR CB C 142 69.364 69.364 69.284 0.080 18099 5590 1 7 . 1 1 165 165 THR H H 142 7.585 7.585 7.721 -0.136 18099 5591 1 7 . 1 1 166 166 ARG N N 143 123.467 123.467 119.914 3.553 18099 5592 1 7 . 1 1 166 166 ARG C C 143 176.360 176.360 175.312 1.048 18099 5593 1 7 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.092 -1.357 18099 5594 1 7 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.712 1.221 18099 5595 1 7 . 1 1 166 166 ARG H H 143 7.833 7.833 8.454 -0.621 18099 5596 1 7 . 1 1 167 167 LEU N N 144 124.342 124.342 122.857 1.485 18099 5597 1 7 . 1 1 167 167 LEU C C 144 177.614 177.614 175.582 2.032 18099 5598 1 7 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.164 1.171 18099 5599 1 7 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.728 -3.210 18099 5600 1 7 . 1 1 167 167 LEU H H 144 8.377 8.377 8.149 0.228 18099 5601 1 7 . 1 1 168 168 SER N N 145 119.385 119.385 117.172 2.213 18099 5602 1 7 . 1 1 168 168 SER C C 145 174.748 174.748 173.456 1.292 18099 5603 1 7 . 1 1 168 168 SER CA C 145 57.132 57.132 59.444 -2.312 18099 5604 1 7 . 1 1 168 168 SER CB C 145 64.882 64.882 63.644 1.238 18099 5605 1 7 . 1 1 168 168 SER H H 145 8.935 8.935 8.533 0.402 18099 5606 1 7 . 1 1 170 170 SER C C 147 177.296 177.296 176.213 1.083 18099 5607 1 7 . 1 1 170 170 SER CA C 147 60.665 60.665 61.104 -0.439 18099 5608 1 7 . 1 1 170 170 SER CB C 147 62.108 62.108 62.457 -0.349 18099 5609 1 7 . 1 1 171 171 GLU N N 148 124.488 124.488 121.273 3.215 18099 5610 1 7 . 1 1 171 171 GLU C C 148 179.525 179.525 178.743 0.782 18099 5611 1 7 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.878 -0.239 18099 5612 1 7 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.942 0.665 18099 5613 1 7 . 1 1 171 171 GLU H H 148 7.645 7.645 8.435 -0.790 18099 5614 1 7 . 1 1 172 172 MET N N 149 120.260 120.260 119.737 0.523 18099 5615 1 7 . 1 1 172 172 MET C C 149 177.117 177.117 177.855 -0.738 18099 5616 1 7 . 1 1 172 172 MET CA C 149 58.501 58.501 56.858 1.643 18099 5617 1 7 . 1 1 172 172 MET CB C 149 31.418 31.418 32.245 -0.827 18099 5618 1 7 . 1 1 172 172 MET H H 149 8.630 8.630 8.058 0.572 18099 5619 1 7 . 1 1 173 173 LYS N N 150 119.239 119.239 120.094 -0.855 18099 5620 1 7 . 1 1 173 173 LYS C C 150 178.012 178.012 178.816 -0.804 18099 5621 1 7 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.731 -0.124 18099 5622 1 7 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.319 -0.941 18099 5623 1 7 . 1 1 173 173 LYS H H 150 7.733 7.733 8.075 -0.342 18099 5624 1 7 . 1 1 174 174 GLN N N 151 116.907 116.907 117.211 -0.304 18099 5625 1 7 . 1 1 174 174 GLN C C 151 178.172 178.172 178.617 -0.445 18099 5626 1 7 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.601 0.715 18099 5627 1 7 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.344 -0.237 18099 5628 1 7 . 1 1 174 174 GLN H H 151 7.513 7.513 7.724 -0.211 18099 5629 1 7 . 1 1 175 175 LEU N N 152 120.989 120.989 122.691 -1.702 18099 5630 1 7 . 1 1 175 175 LEU C C 152 179.226 179.226 178.637 0.589 18099 5631 1 7 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.177 -0.027 18099 5632 1 7 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.676 -0.683 18099 5633 1 7 . 1 1 175 175 LEU H H 152 7.819 7.819 7.621 0.198 18099 5634 1 7 . 1 1 176 176 ILE N N 153 119.823 119.823 118.556 1.267 18099 5635 1 7 . 1 1 176 176 ILE C C 153 177.893 177.893 178.415 -0.522 18099 5636 1 7 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.765 1.544 18099 5637 1 7 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.209 0.657 18099 5638 1 7 . 1 1 176 176 ILE H H 153 8.210 8.210 7.655 0.555 18099 5639 1 7 . 1 1 177 177 ASP N N 154 120.114 120.114 121.000 -0.886 18099 5640 1 7 . 1 1 177 177 ASP C C 154 179.605 179.605 178.988 0.617 18099 5641 1 7 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.558 -0.105 18099 5642 1 7 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.957 -1.008 18099 5643 1 7 . 1 1 177 177 ASP H H 154 8.581 8.581 8.002 0.579 18099 5644 1 7 . 1 1 178 178 ASN N N 155 120.114 120.114 118.447 1.667 18099 5645 1 7 . 1 1 178 178 ASN C C 155 177.813 177.813 177.968 -0.155 18099 5646 1 7 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.846 0.318 18099 5647 1 7 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.355 -0.286 18099 5648 1 7 . 1 1 178 178 ASN H H 155 8.150 8.150 8.225 -0.075 18099 5649 1 7 . 1 1 179 179 ILE N N 156 122.301 122.301 121.122 1.179 18099 5650 1 7 . 1 1 179 179 ILE C C 156 180.182 180.182 177.950 2.232 18099 5651 1 7 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.673 -0.471 18099 5652 1 7 . 1 1 179 179 ILE CB C 156 37.516 37.516 37.947 -0.431 18099 5653 1 7 . 1 1 179 179 ILE H H 156 8.360 8.360 7.829 0.531 18099 5654 1 7 . 1 1 180 180 LEU N N 157 121.864 121.864 120.320 1.544 18099 5655 1 7 . 1 1 180 180 LEU C C 157 178.859 178.859 179.307 -0.448 18099 5656 1 7 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.218 -0.117 18099 5657 1 7 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.563 -1.430 18099 5658 1 7 . 1 1 180 180 LEU H H 157 8.283 8.283 8.376 -0.093 18099 5659 1 7 . 1 1 181 181 GLU N N 158 120.843 120.843 119.085 1.758 18099 5660 1 7 . 1 1 181 181 GLU C C 158 179.062 179.062 179.362 -0.300 18099 5661 1 7 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.325 -0.141 18099 5662 1 7 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.626 -0.939 18099 5663 1 7 . 1 1 181 181 GLU H H 158 8.465 8.465 8.136 0.329 18099 5664 1 7 . 1 1 182 182 GLU N N 159 114.574 114.574 117.877 -3.303 18099 5665 1 7 . 1 1 182 182 GLU C C 159 178.090 178.090 177.740 0.350 18099 5666 1 7 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.428 -0.884 18099 5667 1 7 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.731 0.384 18099 5668 1 7 . 1 1 182 182 GLU H H 159 7.651 7.651 8.164 -0.513 18099 5669 1 7 . 1 1 183 183 SER N N 160 110.492 110.492 113.145 -2.653 18099 5670 1 7 . 1 1 183 183 SER C C 160 174.309 174.309 174.438 -0.129 18099 5671 1 7 . 1 1 183 183 SER CA C 160 59.252 59.252 59.989 -0.737 18099 5672 1 7 . 1 1 183 183 SER CB C 160 65.311 65.311 64.206 1.105 18099 5673 1 7 . 1 1 183 183 SER H H 160 7.670 7.670 8.091 -0.421 18099 5674 1 7 . 1 1 184 184 ASP N N 161 120.551 120.551 120.347 0.204 18099 5675 1 7 . 1 1 184 184 ASP C C 161 177.190 177.190 176.114 1.076 18099 5676 1 7 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.393 -1.976 18099 5677 1 7 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.609 -2.654 18099 5678 1 7 . 1 1 184 184 ASP H H 161 8.437 8.437 7.951 0.486 18099 5679 1 7 . 1 1 185 185 ILE N N 162 126.820 126.820 122.473 4.347 18099 5680 1 7 . 1 1 185 185 ILE C C 162 177.878 177.878 175.620 2.258 18099 5681 1 7 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.182 0.374 18099 5682 1 7 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.916 -1.817 18099 5683 1 7 . 1 1 185 185 ILE H H 162 7.588 7.588 8.233 -0.645 18099 5684 1 7 . 1 1 186 186 ASP N N 163 116.615 116.615 118.171 -1.556 18099 5685 1 7 . 1 1 186 186 ASP C C 163 176.171 176.171 176.534 -0.363 18099 5686 1 7 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.991 -1.738 18099 5687 1 7 . 1 1 186 186 ASP CB C 163 38.780 38.780 39.866 -1.086 18099 5688 1 7 . 1 1 186 186 ASP H H 163 8.247 8.247 8.187 0.060 18099 5689 1 7 . 1 1 187 187 ARG N N 164 115.303 115.303 115.274 0.029 18099 5690 1 7 . 1 1 187 187 ARG C C 164 176.086 176.086 175.845 0.241 18099 5691 1 7 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.931 -0.393 18099 5692 1 7 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.499 -2.972 18099 5693 1 7 . 1 1 187 187 ARG H H 164 7.597 7.597 8.205 -0.608 18099 5694 1 7 . 1 1 188 188 ASP N N 165 120.551 120.551 118.441 2.110 18099 5695 1 7 . 1 1 188 188 ASP C C 165 177.731 177.731 177.712 0.019 18099 5696 1 7 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.355 -1.719 18099 5697 1 7 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.575 -0.264 18099 5698 1 7 . 1 1 188 188 ASP H H 165 8.603 8.603 8.127 0.476 18099 5699 1 7 . 1 1 189 189 GLY N N 166 114.283 114.283 106.641 7.642 18099 5700 1 7 . 1 1 189 189 GLY C C 166 173.220 173.220 173.709 -0.489 18099 5701 1 7 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.212 -0.281 18099 5702 1 7 . 1 1 189 189 GLY H H 166 10.434 10.434 8.678 1.756 18099 5703 1 7 . 1 1 190 190 THR N N 167 110.201 110.201 110.716 -0.515 18099 5704 1 7 . 1 1 190 190 THR C C 167 173.793 173.793 173.082 0.711 18099 5705 1 7 . 1 1 190 190 THR CA C 167 59.054 59.054 60.256 -1.202 18099 5706 1 7 . 1 1 190 190 THR CB C 167 72.483 72.483 72.305 0.179 18099 5707 1 7 . 1 1 190 190 THR H H 167 8.087 8.087 8.402 -0.315 18099 5708 1 7 . 1 1 191 191 ILE N N 168 124.779 124.779 122.767 2.012 18099 5709 1 7 . 1 1 191 191 ILE C C 168 175.685 175.685 174.968 0.717 18099 5710 1 7 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.286 -1.209 18099 5711 1 7 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.975 -2.569 18099 5712 1 7 . 1 1 191 191 ILE H H 168 9.275 9.275 8.126 1.149 18099 5713 1 7 . 1 1 192 192 ASN N N 169 109.180 109.180 124.652 -15.472 18099 5714 1 7 . 1 1 192 192 ASN C C 169 175.095 175.095 176.235 -1.140 18099 5715 1 7 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.577 -0.625 18099 5716 1 7 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.523 -1.317 18099 5717 1 7 . 1 1 192 192 ASN H H 169 9.154 9.154 8.232 0.922 18099 5718 1 7 . 1 1 193 193 LEU N N 170 120.697 120.697 119.988 0.709 18099 5719 1 7 . 1 1 193 193 LEU C C 170 178.160 178.160 178.269 -0.109 18099 5720 1 7 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.258 0.124 18099 5721 1 7 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.343 -0.865 18099 5722 1 7 . 1 1 193 193 LEU H H 170 8.162 8.162 8.506 -0.344 18099 5723 1 7 . 1 1 194 194 SER N N 171 114.283 114.283 114.433 -0.150 18099 5724 1 7 . 1 1 194 194 SER C C 171 178.124 178.124 177.127 0.997 18099 5725 1 7 . 1 1 194 194 SER CA C 171 60.901 60.901 61.467 -0.566 18099 5726 1 7 . 1 1 194 194 SER CB C 171 62.358 62.358 62.592 -0.234 18099 5727 1 7 . 1 1 194 194 SER H H 171 7.812 7.812 8.060 -0.248 18099 5728 1 7 . 1 1 195 195 GLU N N 172 124.050 124.050 121.665 2.385 18099 5729 1 7 . 1 1 195 195 GLU C C 172 179.334 179.334 178.980 0.354 18099 5730 1 7 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.859 -0.017 18099 5731 1 7 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.594 -0.810 18099 5732 1 7 . 1 1 195 195 GLU H H 172 8.540 8.540 9.174 -0.634 18099 5733 1 7 . 1 1 196 196 PHE N N 173 121.864 121.864 121.496 0.368 18099 5734 1 7 . 1 1 196 196 PHE C C 173 176.340 176.340 177.134 -0.794 18099 5735 1 7 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.395 -0.223 18099 5736 1 7 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.376 0.285 18099 5737 1 7 . 1 1 196 196 PHE H H 173 8.738 8.738 8.465 0.273 18099 5738 1 7 . 1 1 197 197 GLN N N 174 117.198 117.198 118.664 -1.466 18099 5739 1 7 . 1 1 197 197 GLN C C 174 178.868 178.868 177.753 1.115 18099 5740 1 7 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.206 -0.137 18099 5741 1 7 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.646 -1.126 18099 5742 1 7 . 1 1 197 197 GLN H H 174 8.912 8.912 8.267 0.645 18099 5743 1 7 . 1 1 198 198 HIS N N 175 120.697 120.697 118.710 1.987 18099 5744 1 7 . 1 1 198 198 HIS C C 175 177.236 177.236 178.222 -0.986 18099 5745 1 7 . 1 1 198 198 HIS CA C 175 59.715 59.715 59.627 0.088 18099 5746 1 7 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.829 -0.250 18099 5747 1 7 . 1 1 198 198 HIS H H 175 8.165 8.165 7.633 0.532 18099 5748 1 7 . 1 1 199 199 VAL N N 176 117.927 117.927 119.736 -1.809 18099 5749 1 7 . 1 1 199 199 VAL C C 176 178.749 178.749 178.370 0.379 18099 5750 1 7 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.241 -0.609 18099 5751 1 7 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.365 -0.749 18099 5752 1 7 . 1 1 199 199 VAL H H 176 7.654 7.654 8.057 -0.403 18099 5753 1 7 . 1 1 200 200 ILE N N 177 117.636 117.636 117.178 0.458 18099 5754 1 7 . 1 1 200 200 ILE C C 177 178.331 178.331 176.486 1.845 18099 5755 1 7 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.417 -0.905 18099 5756 1 7 . 1 1 200 200 ILE CB C 177 35.259 35.259 36.893 -1.634 18099 5757 1 7 . 1 1 200 200 ILE H H 177 7.540 7.540 7.755 -0.215 18099 5758 1 7 . 1 1 201 201 SER C C 178 174.450 174.450 174.932 -0.482 18099 5759 1 7 . 1 1 201 201 SER CA C 178 60.450 60.450 57.969 2.481 18099 5760 1 7 . 1 1 201 201 SER CB C 178 62.849 62.849 63.193 -0.344 18099 5761 1 7 . 1 1 202 202 ARG N N 179 118.073 118.073 122.001 -3.928 18099 5762 1 7 . 1 1 202 202 ARG C C 179 176.778 176.778 175.264 1.514 18099 5763 1 7 . 1 1 202 202 ARG CA C 179 55.196 55.196 57.007 -1.811 18099 5764 1 7 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.516 -2.225 18099 5765 1 7 . 1 1 202 202 ARG H H 179 6.975 6.975 7.541 -0.566 18099 5766 1 7 . 1 1 203 203 SER N N 180 117.927 117.927 113.685 4.242 18099 5767 1 7 . 1 1 203 203 SER CA C 180 55.949 55.949 55.927 0.022 18099 5768 1 7 . 1 1 203 203 SER CB C 180 63.786 63.786 65.298 -1.512 18099 5769 1 7 . 1 1 203 203 SER H H 180 7.391 7.391 7.571 -0.180 18099 5770 1 7 . 1 1 206 206 PHE C C 183 176.466 176.466 177.989 -1.523 18099 5771 1 7 . 1 1 206 206 PHE CA C 183 57.576 57.576 61.472 -3.896 18099 5772 1 7 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.495 0.971 18099 5773 1 7 . 1 1 207 207 ALA N N 184 123.904 123.904 121.757 2.147 18099 5774 1 7 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.266 -0.236 18099 5775 1 7 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.332 -0.142 18099 5776 1 7 . 1 1 207 207 ALA H H 184 8.032 8.032 7.760 0.272 18099 5777 1 7 . 1 1 211 211 LYS C C 188 175.805 175.805 175.888 -0.083 18099 5778 1 7 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.359 -3.209 18099 5779 1 7 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.892 -1.338 18099 5780 1 7 . 1 1 212 212 ILE N N 189 122.155 122.155 116.943 5.212 18099 5781 1 7 . 1 1 212 212 ILE C C 189 175.725 175.725 174.827 0.898 18099 5782 1 7 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.631 0.910 18099 5783 1 7 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.980 -1.041 18099 5784 1 7 . 1 1 212 212 ILE H H 189 7.940 7.940 8.164 -0.224 18099 5785 1 7 . 1 1 213 213 VAL N N 190 125.945 125.945 126.583 -0.638 18099 5786 1 7 . 1 1 213 213 VAL C C 190 174.938 174.938 174.697 0.241 18099 5787 1 7 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.489 0.381 18099 5788 1 7 . 1 1 213 213 VAL CB C 190 31.892 31.892 34.107 -2.215 18099 5789 1 7 . 1 1 213 213 VAL H H 190 8.076 8.076 8.529 -0.453 18099 5790 1 8 . 1 1 32 32 SER N N 9 117.053 117.053 119.925 -2.872 18099 5791 1 8 . 1 1 32 32 SER C C 9 174.637 174.637 175.535 -0.898 18099 5792 1 8 . 1 1 32 32 SER CA C 9 57.078 57.078 57.515 -0.437 18099 5793 1 8 . 1 1 32 32 SER CB C 9 64.513 64.513 64.653 -0.141 18099 5794 1 8 . 1 1 32 32 SER H H 9 7.690 7.690 8.240 -0.550 18099 5795 1 8 . 1 1 33 33 LYS C C 10 178.968 178.968 177.726 1.242 18099 5796 1 8 . 1 1 33 33 LYS CA C 10 59.051 59.051 58.085 0.966 18099 5797 1 8 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.912 -0.575 18099 5798 1 8 . 1 1 34 34 GLU N N 11 120.114 120.114 119.574 0.540 18099 5799 1 8 . 1 1 34 34 GLU C C 11 178.968 178.968 178.648 0.320 18099 5800 1 8 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.759 0.848 18099 5801 1 8 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.661 -0.694 18099 5802 1 8 . 1 1 34 34 GLU H H 11 8.720 8.720 7.959 0.761 18099 5803 1 8 . 1 1 35 35 LEU N N 12 122.738 122.738 121.113 1.625 18099 5804 1 8 . 1 1 35 35 LEU C C 12 178.749 178.749 178.946 -0.197 18099 5805 1 8 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.463 -0.438 18099 5806 1 8 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.705 -0.591 18099 5807 1 8 . 1 1 35 35 LEU H H 12 7.613 7.613 7.986 -0.373 18099 5808 1 8 . 1 1 36 36 LEU N N 13 118.510 118.510 119.214 -0.704 18099 5809 1 8 . 1 1 36 36 LEU C C 13 178.788 178.788 177.660 1.128 18099 5810 1 8 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.868 -0.198 18099 5811 1 8 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.273 -0.224 18099 5812 1 8 . 1 1 36 36 LEU H H 13 8.252 8.252 7.612 0.640 18099 5813 1 8 . 1 1 37 37 ALA N N 14 119.968 119.968 121.206 -1.238 18099 5814 1 8 . 1 1 37 37 ALA C C 14 180.023 180.023 179.660 0.363 18099 5815 1 8 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.703 -0.161 18099 5816 1 8 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.874 -0.444 18099 5817 1 8 . 1 1 37 37 ALA H H 14 7.664 7.664 7.938 -0.274 18099 5818 1 8 . 1 1 38 38 GLU N N 15 119.239 119.239 118.235 1.004 18099 5819 1 8 . 1 1 38 38 GLU C C 15 179.326 179.326 178.161 1.165 18099 5820 1 8 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.745 -0.106 18099 5821 1 8 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.581 -1.138 18099 5822 1 8 . 1 1 38 38 GLU H H 15 7.501 7.501 7.681 -0.180 18099 5823 1 8 . 1 1 39 39 TYR N N 16 117.053 117.053 118.023 -0.970 18099 5824 1 8 . 1 1 39 39 TYR C C 16 178.868 178.868 178.444 0.424 18099 5825 1 8 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.581 -0.544 18099 5826 1 8 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.526 -1.174 18099 5827 1 8 . 1 1 39 39 TYR H H 16 8.156 8.156 7.229 0.927 18099 5828 1 8 . 1 1 40 40 GLN N N 17 121.718 121.718 119.007 2.711 18099 5829 1 8 . 1 1 40 40 GLN C C 17 176.938 176.938 177.471 -0.533 18099 5830 1 8 . 1 1 40 40 GLN CA C 17 58.531 58.531 58.208 0.323 18099 5831 1 8 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.295 0.217 18099 5832 1 8 . 1 1 40 40 GLN H H 17 8.287 8.287 7.989 0.298 18099 5833 1 8 . 1 1 41 41 ASP N N 18 117.636 117.636 119.887 -2.251 18099 5834 1 8 . 1 1 41 41 ASP C C 18 177.336 177.336 177.232 0.104 18099 5835 1 8 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.748 -1.155 18099 5836 1 8 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.898 -0.335 18099 5837 1 8 . 1 1 41 41 ASP H H 18 7.448 7.448 7.638 -0.191 18099 5838 1 8 . 1 1 42 42 LEU N N 19 117.782 117.782 117.799 -0.017 18099 5839 1 8 . 1 1 42 42 LEU C C 19 176.938 176.938 176.454 0.484 18099 5840 1 8 . 1 1 42 42 LEU CA C 19 55.538 55.538 53.967 1.571 18099 5841 1 8 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.079 0.851 18099 5842 1 8 . 1 1 42 42 LEU H H 19 7.444 7.444 8.593 -1.149 18099 5843 1 8 . 1 1 43 43 THR N N 20 109.763 109.763 113.510 -3.747 18099 5844 1 8 . 1 1 43 43 THR C C 20 173.096 173.096 174.830 -1.734 18099 5845 1 8 . 1 1 43 43 THR CA C 20 60.145 60.145 62.603 -2.458 18099 5846 1 8 . 1 1 43 43 THR CB C 20 71.461 71.461 71.237 0.224 18099 5847 1 8 . 1 1 43 43 THR H H 20 7.348 7.348 8.106 -0.758 18099 5848 1 8 . 1 1 44 44 PHE N N 21 117.490 117.490 121.828 -4.338 18099 5849 1 8 . 1 1 44 44 PHE C C 21 175.465 175.465 175.359 0.106 18099 5850 1 8 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.554 -1.744 18099 5851 1 8 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.497 -2.192 18099 5852 1 8 . 1 1 44 44 PHE H H 21 7.686 7.686 7.732 -0.046 18099 5853 1 8 . 1 1 45 45 LEU N N 22 120.260 120.260 119.709 0.551 18099 5854 1 8 . 1 1 45 45 LEU C C 22 177.017 177.017 176.947 0.070 18099 5855 1 8 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.972 0.040 18099 5856 1 8 . 1 1 45 45 LEU CB C 22 43.157 43.157 41.362 1.795 18099 5857 1 8 . 1 1 45 45 LEU H H 22 7.350 7.350 7.746 -0.396 18099 5858 1 8 . 1 1 46 46 THR N N 23 111.076 111.076 117.999 -6.923 18099 5859 1 8 . 1 1 46 46 THR C C 23 176.002 176.002 174.767 1.235 18099 5860 1 8 . 1 1 46 46 THR CA C 23 60.468 60.468 62.210 -1.742 18099 5861 1 8 . 1 1 46 46 THR CB C 23 71.212 71.212 69.985 1.227 18099 5862 1 8 . 1 1 46 46 THR H H 23 8.666 8.666 8.225 0.441 18099 5863 1 8 . 1 1 47 47 LYS N N 24 120.260 120.260 118.670 1.590 18099 5864 1 8 . 1 1 47 47 LYS C C 24 178.231 178.231 178.624 -0.393 18099 5865 1 8 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.445 3.104 18099 5866 1 8 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.506 -2.088 18099 5867 1 8 . 1 1 47 47 LYS H H 24 8.598 8.598 8.233 0.365 18099 5868 1 8 . 1 1 48 48 GLN N N 25 116.324 116.324 121.400 -5.076 18099 5869 1 8 . 1 1 48 48 GLN C C 25 179.047 179.047 178.038 1.009 18099 5870 1 8 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.220 -0.259 18099 5871 1 8 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.644 -1.371 18099 5872 1 8 . 1 1 48 48 GLN H H 25 8.390 8.390 8.535 -0.145 18099 5873 1 8 . 1 1 49 49 GLU N N 26 119.677 119.677 119.921 -0.244 18099 5874 1 8 . 1 1 49 49 GLU C C 26 179.804 179.804 179.427 0.377 18099 5875 1 8 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.374 -0.305 18099 5876 1 8 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.488 0.837 18099 5877 1 8 . 1 1 49 49 GLU H H 26 7.644 7.644 7.955 -0.311 18099 5878 1 8 . 1 1 50 50 ILE N N 27 123.613 123.613 119.299 4.314 18099 5879 1 8 . 1 1 50 50 ILE C C 27 177.634 177.634 178.095 -0.461 18099 5880 1 8 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.709 2.600 18099 5881 1 8 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.723 0.349 18099 5882 1 8 . 1 1 50 50 ILE H H 27 8.344 8.344 7.592 0.752 18099 5883 1 8 . 1 1 51 51 LEU N N 28 120.697 120.697 122.574 -1.877 18099 5884 1 8 . 1 1 51 51 LEU C C 28 180.620 180.620 178.854 1.766 18099 5885 1 8 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.142 -0.040 18099 5886 1 8 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.729 -0.983 18099 5887 1 8 . 1 1 51 51 LEU H H 28 8.046 8.046 8.117 -0.071 18099 5888 1 8 . 1 1 52 52 LEU N N 29 121.426 121.426 119.983 1.443 18099 5889 1 8 . 1 1 52 52 LEU C C 29 178.968 178.968 178.441 0.527 18099 5890 1 8 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.612 0.058 18099 5891 1 8 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.317 -0.744 18099 5892 1 8 . 1 1 52 52 LEU H H 29 7.998 7.998 8.357 -0.359 18099 5893 1 8 . 1 1 53 53 ALA N N 30 122.447 122.447 121.197 1.250 18099 5894 1 8 . 1 1 53 53 ALA C C 30 179.804 179.804 179.271 0.533 18099 5895 1 8 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.124 0.071 18099 5896 1 8 . 1 1 53 53 ALA CB C 30 18.104 18.104 17.858 0.246 18099 5897 1 8 . 1 1 53 53 ALA H H 30 8.380 8.380 8.191 0.189 18099 5898 1 8 . 1 1 54 54 HIS N N 31 118.656 118.656 119.271 -0.615 18099 5899 1 8 . 1 1 54 54 HIS C C 31 177.475 177.475 177.395 0.080 18099 5900 1 8 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.362 2.397 18099 5901 1 8 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.141 0.478 18099 5902 1 8 . 1 1 54 54 HIS H H 31 8.760 8.760 8.242 0.518 18099 5903 1 8 . 1 1 55 55 ARG N N 32 121.135 121.135 119.177 1.958 18099 5904 1 8 . 1 1 55 55 ARG C C 32 179.366 179.366 178.597 0.769 18099 5905 1 8 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.407 0.200 18099 5906 1 8 . 1 1 55 55 ARG CB C 32 28.965 28.965 30.020 -1.055 18099 5907 1 8 . 1 1 55 55 ARG H H 32 7.926 7.926 7.713 0.213 18099 5908 1 8 . 1 1 56 56 ARG N N 33 118.219 118.219 118.565 -0.346 18099 5909 1 8 . 1 1 56 56 ARG C C 33 178.669 178.669 179.233 -0.564 18099 5910 1 8 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.430 -0.282 18099 5911 1 8 . 1 1 56 56 ARG CB C 33 29.158 29.158 30.262 -1.104 18099 5912 1 8 . 1 1 56 56 ARG H H 33 8.302 8.302 7.795 0.507 18099 5913 1 8 . 1 1 57 57 PHE N N 34 120.989 120.989 117.821 3.168 18099 5914 1 8 . 1 1 57 57 PHE C C 34 177.435 177.435 177.536 -0.101 18099 5915 1 8 . 1 1 57 57 PHE CA C 34 61.221 61.221 59.914 1.307 18099 5916 1 8 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.396 1.153 18099 5917 1 8 . 1 1 57 57 PHE H H 34 8.675 8.675 8.429 0.246 18099 5918 1 8 . 1 1 58 58 CYS N N 35 114.283 114.283 118.518 -4.235 18099 5919 1 8 . 1 1 58 58 CYS C C 35 176.958 176.958 176.031 0.927 18099 5920 1 8 . 1 1 58 58 CYS CA C 35 63.803 63.803 62.052 1.751 18099 5921 1 8 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.834 -0.218 18099 5922 1 8 . 1 1 58 58 CYS H H 35 8.147 8.147 7.758 0.389 18099 5923 1 8 . 1 1 59 59 GLU N N 36 116.615 116.615 118.817 -2.202 18099 5924 1 8 . 1 1 59 59 GLU C C 36 177.276 177.276 177.734 -0.458 18099 5925 1 8 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.646 -0.760 18099 5926 1 8 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.654 -1.020 18099 5927 1 8 . 1 1 59 59 GLU H H 36 7.237 7.237 7.489 -0.252 18099 5928 1 8 . 1 1 60 60 LEU N N 37 116.615 116.615 117.590 -0.975 18099 5929 1 8 . 1 1 60 60 LEU C C 37 176.778 176.778 177.452 -0.674 18099 5930 1 8 . 1 1 60 60 LEU CA C 37 54.120 54.120 56.346 -2.226 18099 5931 1 8 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.130 -1.371 18099 5932 1 8 . 1 1 60 60 LEU H H 37 7.188 7.188 7.332 -0.144 18099 5933 1 8 . 1 1 61 61 LEU N N 38 119.531 119.531 119.021 0.510 18099 5934 1 8 . 1 1 61 61 LEU C C 38 174.848 174.848 174.596 0.252 18099 5935 1 8 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.781 -0.028 18099 5936 1 8 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.523 -1.805 18099 5937 1 8 . 1 1 61 61 LEU H H 38 7.060 7.060 7.277 -0.217 18099 5938 1 8 . 1 1 63 63 GLN C C 40 177.754 177.754 178.311 -0.557 18099 5939 1 8 . 1 1 63 63 GLN CA C 40 59.266 59.266 59.164 0.102 18099 5940 1 8 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.287 -0.447 18099 5941 1 8 . 1 1 64 64 GLU N N 41 117.053 117.053 117.905 -0.852 18099 5942 1 8 . 1 1 64 64 GLU C C 41 177.276 177.276 178.068 -0.792 18099 5943 1 8 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.309 -0.100 18099 5944 1 8 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.320 -1.413 18099 5945 1 8 . 1 1 64 64 GLU H H 41 9.287 9.287 8.516 0.771 18099 5946 1 8 . 1 1 65 65 GLN N N 42 119.094 119.094 117.645 1.449 18099 5947 1 8 . 1 1 65 65 GLN C C 42 174.171 174.171 176.059 -1.888 18099 5948 1 8 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.028 -0.263 18099 5949 1 8 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.382 0.887 18099 5950 1 8 . 1 1 65 65 GLN H H 42 8.006 8.006 8.170 -0.164 18099 5951 1 8 . 1 1 66 66 ARG N N 43 115.157 115.157 119.458 -4.301 18099 5952 1 8 . 1 1 66 66 ARG C C 43 176.221 176.221 176.016 0.205 18099 5953 1 8 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.085 0.047 18099 5954 1 8 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.328 -1.150 18099 5955 1 8 . 1 1 66 66 ARG H H 43 7.039 7.039 7.346 -0.307 18099 5956 1 8 . 1 1 67 67 SER N N 44 114.720 114.720 115.817 -1.097 18099 5957 1 8 . 1 1 67 67 SER C C 44 175.505 175.505 175.979 -0.474 18099 5958 1 8 . 1 1 67 67 SER CA C 44 57.532 57.532 58.758 -1.226 18099 5959 1 8 . 1 1 67 67 SER CB C 44 63.911 63.911 63.759 0.152 18099 5960 1 8 . 1 1 67 67 SER H H 44 7.641 7.641 7.945 -0.304 18099 5961 1 8 . 1 1 68 68 VAL C C 45 178.271 178.271 177.543 0.728 18099 5962 1 8 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.315 2.021 18099 5963 1 8 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.946 -1.535 18099 5964 1 8 . 1 1 69 69 GLU N N 46 118.365 118.365 119.332 -0.967 18099 5965 1 8 . 1 1 69 69 GLU C C 46 179.187 179.187 177.547 1.640 18099 5966 1 8 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.005 0.710 18099 5967 1 8 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.168 -0.956 18099 5968 1 8 . 1 1 69 69 GLU H H 46 8.862 8.862 8.662 0.200 18099 5969 1 8 . 1 1 70 70 SER N N 47 114.137 114.137 113.683 0.454 18099 5970 1 8 . 1 1 70 70 SER C C 47 178.251 178.251 175.763 2.488 18099 5971 1 8 . 1 1 70 70 SER CA C 47 61.113 61.113 60.935 0.178 18099 5972 1 8 . 1 1 70 70 SER CB C 47 62.543 62.543 63.986 -1.443 18099 5973 1 8 . 1 1 70 70 SER H H 47 7.588 7.588 7.627 -0.039 18099 5974 1 8 . 1 1 71 71 SER N N 48 121.280 121.280 119.330 1.950 18099 5975 1 8 . 1 1 71 71 SER C C 48 176.102 176.102 175.746 0.356 18099 5976 1 8 . 1 1 71 71 SER CA C 48 61.544 61.544 61.579 -0.035 18099 5977 1 8 . 1 1 71 71 SER CB C 48 63.348 63.348 63.327 0.021 18099 5978 1 8 . 1 1 71 71 SER H H 48 8.785 8.785 7.749 1.036 18099 5979 1 8 . 1 1 72 72 LEU N N 49 120.551 120.551 120.258 0.293 18099 5980 1 8 . 1 1 72 72 LEU C C 49 177.555 177.555 178.613 -1.058 18099 5981 1 8 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.292 -0.128 18099 5982 1 8 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.258 -2.078 18099 5983 1 8 . 1 1 72 72 LEU H H 49 7.216 7.216 8.198 -0.982 18099 5984 1 8 . 1 1 73 73 ARG N N 50 116.469 116.469 117.695 -1.226 18099 5985 1 8 . 1 1 73 73 ARG C C 50 175.942 175.942 175.861 0.081 18099 5986 1 8 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.412 -1.647 18099 5987 1 8 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.425 -0.744 18099 5988 1 8 . 1 1 73 73 ARG H H 50 7.394 7.394 8.139 -0.745 18099 5989 1 8 . 1 1 74 74 ALA N N 51 123.904 123.904 121.325 2.579 18099 5990 1 8 . 1 1 74 74 ALA C C 51 176.778 176.778 175.859 0.919 18099 5991 1 8 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.142 1.149 18099 5992 1 8 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.054 -0.006 18099 5993 1 8 . 1 1 74 74 ALA H H 51 7.263 7.263 7.592 -0.329 18099 5994 1 8 . 1 1 75 75 GLN N N 52 118.073 118.073 119.367 -1.294 18099 5995 1 8 . 1 1 75 75 GLN C C 52 175.524 175.524 175.381 0.143 18099 5996 1 8 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.014 -1.217 18099 5997 1 8 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.208 0.008 18099 5998 1 8 . 1 1 75 75 GLN H H 52 8.283 8.283 8.381 -0.098 18099 5999 1 8 . 1 1 76 76 VAL N N 53 124.925 124.925 121.412 3.513 18099 6000 1 8 . 1 1 76 76 VAL C C 53 173.753 173.753 173.828 -0.075 18099 6001 1 8 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.374 0.480 18099 6002 1 8 . 1 1 76 76 VAL CB C 53 33.022 33.022 34.344 -1.322 18099 6003 1 8 . 1 1 76 76 VAL H H 53 9.093 9.093 8.172 0.921 18099 6004 1 8 . 1 1 77 77 PRO C C 54 178.132 178.132 177.072 1.060 18099 6005 1 8 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.467 -1.296 18099 6006 1 8 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.396 -0.140 18099 6007 1 8 . 1 1 78 78 PHE N N 55 120.406 120.406 119.766 0.640 18099 6008 1 8 . 1 1 78 78 PHE C C 55 177.236 177.236 177.592 -0.356 18099 6009 1 8 . 1 1 78 78 PHE CA C 55 57.886 57.886 60.772 -2.886 18099 6010 1 8 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.524 -3.257 18099 6011 1 8 . 1 1 78 78 PHE H H 55 7.897 7.897 8.602 -0.705 18099 6012 1 8 . 1 1 79 79 GLU N N 56 117.636 117.636 118.741 -1.105 18099 6013 1 8 . 1 1 79 79 GLU C C 56 178.410 178.410 178.183 0.227 18099 6014 1 8 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.672 0.473 18099 6015 1 8 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.054 0.323 18099 6016 1 8 . 1 1 79 79 GLU H H 56 9.202 9.202 8.925 0.277 18099 6017 1 8 . 1 1 80 80 GLN N N 57 114.429 114.429 117.722 -3.293 18099 6018 1 8 . 1 1 80 80 GLN C C 57 178.012 178.012 178.378 -0.366 18099 6019 1 8 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.519 -1.172 18099 6020 1 8 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.057 1.296 18099 6021 1 8 . 1 1 80 80 GLN H H 57 7.332 7.332 8.623 -1.291 18099 6022 1 8 . 1 1 81 81 ILE N N 58 120.989 120.989 117.319 3.670 18099 6023 1 8 . 1 1 81 81 ILE C C 58 177.236 177.236 178.615 -1.379 18099 6024 1 8 . 1 1 81 81 ILE CA C 58 60.791 60.791 61.662 -0.871 18099 6025 1 8 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.453 -1.161 18099 6026 1 8 . 1 1 81 81 ILE H H 58 7.375 7.375 7.861 -0.486 18099 6027 1 8 . 1 1 82 82 LEU N N 59 116.469 116.469 118.132 -1.663 18099 6028 1 8 . 1 1 82 82 LEU C C 59 176.360 176.360 176.622 -0.262 18099 6029 1 8 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.706 -0.327 18099 6030 1 8 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.827 -1.152 18099 6031 1 8 . 1 1 82 82 LEU H H 59 8.144 8.144 7.563 0.581 18099 6032 1 8 . 1 1 83 83 SER N N 60 110.347 110.347 113.710 -3.363 18099 6033 1 8 . 1 1 83 83 SER C C 60 174.708 174.708 174.427 0.281 18099 6034 1 8 . 1 1 83 83 SER CA C 60 58.316 58.316 59.338 -1.022 18099 6035 1 8 . 1 1 83 83 SER CB C 60 64.074 64.074 62.594 1.480 18099 6036 1 8 . 1 1 83 83 SER H H 60 7.038 7.038 7.427 -0.389 18099 6037 1 8 . 1 1 84 84 LEU N N 61 124.633 124.633 122.820 1.813 18099 6038 1 8 . 1 1 84 84 LEU C C 61 176.599 176.599 174.826 1.773 18099 6039 1 8 . 1 1 84 84 LEU CA C 61 53.689 53.689 51.939 1.750 18099 6040 1 8 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.082 -2.679 18099 6041 1 8 . 1 1 84 84 LEU H H 61 7.674 7.674 7.310 0.364 18099 6042 1 8 . 1 1 85 85 PRO C C 62 178.457 178.457 178.455 0.002 18099 6043 1 8 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.198 0.131 18099 6044 1 8 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.834 -0.924 18099 6045 1 8 . 1 1 86 86 GLU N N 63 117.198 117.198 117.955 -0.757 18099 6046 1 8 . 1 1 86 86 GLU C C 63 176.280 176.280 177.879 -1.599 18099 6047 1 8 . 1 1 86 86 GLU CA C 63 59.694 59.694 58.891 0.803 18099 6048 1 8 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.114 -1.390 18099 6049 1 8 . 1 1 86 86 GLU H H 63 10.005 10.005 8.582 1.423 18099 6050 1 8 . 1 1 87 87 LEU N N 64 115.595 115.595 118.628 -3.033 18099 6051 1 8 . 1 1 87 87 LEU C C 64 178.197 178.197 179.382 -1.185 18099 6052 1 8 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.188 -1.927 18099 6053 1 8 . 1 1 87 87 LEU CB C 64 43.794 43.794 42.270 1.524 18099 6054 1 8 . 1 1 87 87 LEU H H 64 7.347 7.347 7.873 -0.526 18099 6055 1 8 . 1 1 88 88 LYS N N 65 119.677 119.677 121.082 -1.405 18099 6056 1 8 . 1 1 88 88 LYS C C 65 176.891 176.891 177.873 -0.982 18099 6057 1 8 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.998 0.959 18099 6058 1 8 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.522 -0.992 18099 6059 1 8 . 1 1 88 88 LYS H H 65 7.841 7.841 7.886 -0.045 18099 6060 1 8 . 1 1 89 89 ALA C C 66 176.503 176.503 177.174 -0.671 18099 6061 1 8 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.211 -2.385 18099 6062 1 8 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.678 -0.583 18099 6063 1 8 . 1 1 90 90 ASN N N 67 123.467 123.467 118.052 5.415 18099 6064 1 8 . 1 1 90 90 ASN C C 67 175.955 175.955 173.890 2.065 18099 6065 1 8 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.411 0.519 18099 6066 1 8 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.629 1.561 18099 6067 1 8 . 1 1 90 90 ASN H H 67 7.847 7.847 7.355 0.492 18099 6068 1 8 . 1 1 91 91 PRO C C 68 176.918 176.918 174.942 1.976 18099 6069 1 8 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.694 0.199 18099 6070 1 8 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.279 0.073 18099 6071 1 8 . 1 1 92 92 PHE N N 69 116.178 116.178 113.186 2.992 18099 6072 1 8 . 1 1 92 92 PHE C C 69 176.977 176.977 175.789 1.188 18099 6073 1 8 . 1 1 92 92 PHE CA C 69 56.917 56.917 56.227 0.690 18099 6074 1 8 . 1 1 92 92 PHE CB C 69 38.077 38.077 37.696 0.381 18099 6075 1 8 . 1 1 92 92 PHE H H 69 9.006 9.006 7.475 1.531 18099 6076 1 8 . 1 1 93 93 LYS N N 70 119.385 119.385 122.124 -2.739 18099 6077 1 8 . 1 1 93 93 LYS C C 70 175.982 175.982 177.850 -1.868 18099 6078 1 8 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.846 0.622 18099 6079 1 8 . 1 1 93 93 LYS CB C 70 31.026 31.026 32.045 -1.019 18099 6080 1 8 . 1 1 93 93 LYS H H 70 7.693 7.693 7.999 -0.306 18099 6081 1 8 . 1 1 94 94 GLU N N 71 120.406 120.406 119.921 0.485 18099 6082 1 8 . 1 1 94 94 GLU C C 71 179.007 179.007 179.143 -0.136 18099 6083 1 8 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.613 0.963 18099 6084 1 8 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.294 -1.212 18099 6085 1 8 . 1 1 94 94 GLU H H 71 8.549 8.549 8.793 -0.244 18099 6086 1 8 . 1 1 95 95 ARG N N 72 119.677 119.677 119.520 0.157 18099 6087 1 8 . 1 1 95 95 ARG C C 72 178.112 178.112 179.020 -0.908 18099 6088 1 8 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.264 -2.777 18099 6089 1 8 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.290 -1.583 18099 6090 1 8 . 1 1 95 95 ARG H H 72 7.495 7.495 7.482 0.013 18099 6091 1 8 . 1 1 96 96 ILE N N 73 119.094 119.094 121.041 -1.947 18099 6092 1 8 . 1 1 96 96 ILE C C 73 177.276 177.276 177.887 -0.611 18099 6093 1 8 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.579 0.484 18099 6094 1 8 . 1 1 96 96 ILE CB C 73 37.229 37.229 38.005 -0.776 18099 6095 1 8 . 1 1 96 96 ILE H H 73 8.535 8.535 8.636 -0.101 18099 6096 1 8 . 1 1 97 97 CYS N N 74 115.157 115.157 117.795 -2.638 18099 6097 1 8 . 1 1 97 97 CYS C C 74 174.848 174.848 176.738 -1.890 18099 6098 1 8 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.721 2.373 18099 6099 1 8 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.320 -1.753 18099 6100 1 8 . 1 1 97 97 CYS H H 74 7.235 7.235 7.952 -0.717 18099 6101 1 8 . 1 1 98 98 ARG N N 75 115.886 115.886 121.128 -5.242 18099 6102 1 8 . 1 1 98 98 ARG C C 75 178.470 178.470 177.788 0.682 18099 6103 1 8 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.546 -0.047 18099 6104 1 8 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.083 -0.784 18099 6105 1 8 . 1 1 98 98 ARG H H 75 7.136 7.136 7.861 -0.725 18099 6106 1 8 . 1 1 99 99 VAL N N 76 117.198 117.198 117.000 0.198 18099 6107 1 8 . 1 1 99 99 VAL C C 76 177.236 177.236 177.298 -0.062 18099 6108 1 8 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.197 -0.210 18099 6109 1 8 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.879 -1.032 18099 6110 1 8 . 1 1 99 99 VAL H H 76 8.043 8.043 8.037 0.006 18099 6111 1 8 . 1 1 100 100 PHE N N 77 115.595 115.595 117.660 -2.065 18099 6112 1 8 . 1 1 100 100 PHE C C 77 175.007 175.007 175.865 -0.858 18099 6113 1 8 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.102 1.366 18099 6114 1 8 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.506 -1.720 18099 6115 1 8 . 1 1 100 100 PHE H H 77 7.436 7.436 7.806 -0.370 18099 6116 1 8 . 1 1 101 101 SER N N 78 112.533 112.533 113.714 -1.181 18099 6117 1 8 . 1 1 101 101 SER C C 78 177.156 177.156 173.691 3.465 18099 6118 1 8 . 1 1 101 101 SER CA C 78 58.639 58.639 58.498 0.141 18099 6119 1 8 . 1 1 101 101 SER CB C 78 64.208 64.208 64.139 0.069 18099 6120 1 8 . 1 1 101 101 SER H H 78 7.156 7.156 8.241 -1.085 18099 6121 1 8 . 1 1 102 102 THR N N 79 120.551 120.551 116.529 4.022 18099 6122 1 8 . 1 1 102 102 THR C C 79 175.763 175.763 173.657 2.106 18099 6123 1 8 . 1 1 102 102 THR CA C 79 61.328 61.328 60.933 0.395 18099 6124 1 8 . 1 1 102 102 THR CB C 79 68.647 68.647 69.600 -0.953 18099 6125 1 8 . 1 1 102 102 THR H H 79 9.267 9.267 8.291 0.976 18099 6126 1 8 . 1 1 103 103 SER N N 80 121.280 121.280 123.050 -1.770 18099 6127 1 8 . 1 1 103 103 SER C C 80 175.743 175.743 172.974 2.769 18099 6128 1 8 . 1 1 103 103 SER CA C 80 56.164 56.164 56.269 -0.105 18099 6129 1 8 . 1 1 103 103 SER CB C 80 63.221 63.221 63.565 -0.344 18099 6130 1 8 . 1 1 103 103 SER H H 80 8.120 8.120 8.189 -0.069 18099 6131 1 8 . 1 1 104 104 PRO C C 81 177.654 177.654 176.525 1.129 18099 6132 1 8 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.288 1.111 18099 6133 1 8 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.020 -0.638 18099 6134 1 8 . 1 1 105 105 ALA N N 82 117.927 117.927 119.753 -1.826 18099 6135 1 8 . 1 1 105 105 ALA C C 82 177.077 177.077 176.487 0.590 18099 6136 1 8 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.300 0.130 18099 6137 1 8 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.588 -1.565 18099 6138 1 8 . 1 1 105 105 ALA H H 82 7.961 7.961 8.063 -0.102 18099 6139 1 8 . 1 1 106 106 LYS N N 83 115.449 115.449 114.855 0.594 18099 6140 1 8 . 1 1 106 106 LYS C C 83 175.206 175.206 175.022 0.184 18099 6141 1 8 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.747 -0.906 18099 6142 1 8 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.714 -1.254 18099 6143 1 8 . 1 1 106 106 LYS H H 83 7.984 7.984 7.981 0.003 18099 6144 1 8 . 1 1 107 107 ASP N N 84 112.242 112.242 114.561 -2.319 18099 6145 1 8 . 1 1 107 107 ASP C C 84 175.823 175.823 176.072 -0.249 18099 6146 1 8 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.281 -1.990 18099 6147 1 8 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.895 -0.299 18099 6148 1 8 . 1 1 107 107 ASP H H 84 7.670 7.670 8.159 -0.489 18099 6149 1 8 . 1 1 108 108 SER N N 85 113.554 113.554 112.628 0.926 18099 6150 1 8 . 1 1 108 108 SER C C 85 172.897 172.897 173.016 -0.119 18099 6151 1 8 . 1 1 108 108 SER CA C 85 57.132 57.132 57.101 0.031 18099 6152 1 8 . 1 1 108 108 SER CB C 85 65.347 65.347 66.333 -0.986 18099 6153 1 8 . 1 1 108 108 SER H H 85 7.271 7.271 7.362 -0.091 18099 6154 1 8 . 1 1 109 109 LEU N N 86 121.426 121.426 119.793 1.633 18099 6155 1 8 . 1 1 109 109 LEU C C 86 176.400 176.400 176.400 0.000 18099 6156 1 8 . 1 1 109 109 LEU CA C 86 54.550 54.550 53.340 1.210 18099 6157 1 8 . 1 1 109 109 LEU CB C 86 44.020 44.020 44.982 -0.962 18099 6158 1 8 . 1 1 109 109 LEU H H 86 9.179 9.179 8.059 1.120 18099 6159 1 8 . 1 1 110 110 SER N N 87 117.927 117.927 114.090 3.837 18099 6160 1 8 . 1 1 110 110 SER C C 87 174.808 174.808 173.934 0.874 18099 6161 1 8 . 1 1 110 110 SER CA C 87 56.056 56.056 57.111 -1.055 18099 6162 1 8 . 1 1 110 110 SER CB C 87 65.644 65.644 64.488 1.156 18099 6163 1 8 . 1 1 110 110 SER H H 87 8.305 8.305 8.281 0.024 18099 6164 1 8 . 1 1 111 111 PHE N N 88 122.592 122.592 123.605 -1.013 18099 6165 1 8 . 1 1 111 111 PHE C C 88 176.798 176.798 176.176 0.622 18099 6166 1 8 . 1 1 111 111 PHE CA C 88 60.468 60.468 57.657 2.811 18099 6167 1 8 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.447 -1.287 18099 6168 1 8 . 1 1 111 111 PHE H H 88 9.850 9.850 8.604 1.246 18099 6169 1 8 . 1 1 112 112 GLU N N 89 117.782 117.782 122.126 -4.344 18099 6170 1 8 . 1 1 112 112 GLU C C 89 178.490 178.490 178.312 0.178 18099 6171 1 8 . 1 1 112 112 GLU CA C 89 60.145 60.145 58.761 1.385 18099 6172 1 8 . 1 1 112 112 GLU CB C 89 28.048 28.048 29.000 -0.952 18099 6173 1 8 . 1 1 112 112 GLU H H 89 8.233 8.233 7.067 1.166 18099 6174 1 8 . 1 1 113 113 ASP N N 90 121.572 121.572 119.340 2.232 18099 6175 1 8 . 1 1 113 113 ASP C C 90 177.714 177.714 178.798 -1.084 18099 6176 1 8 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.171 -0.146 18099 6177 1 8 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.545 1.154 18099 6178 1 8 . 1 1 113 113 ASP H H 90 7.691 7.691 8.560 -0.869 18099 6179 1 8 . 1 1 114 114 PHE N N 91 121.135 121.135 120.406 0.729 18099 6180 1 8 . 1 1 114 114 PHE C C 91 176.460 176.460 176.883 -0.423 18099 6181 1 8 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.664 -1.627 18099 6182 1 8 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.099 0.102 18099 6183 1 8 . 1 1 114 114 PHE H H 91 8.214 8.214 7.894 0.320 18099 6184 1 8 . 1 1 115 115 LEU N N 92 118.365 118.365 119.390 -1.025 18099 6185 1 8 . 1 1 115 115 LEU C C 92 179.187 179.187 178.398 0.789 18099 6186 1 8 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.674 -0.542 18099 6187 1 8 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.782 -1.506 18099 6188 1 8 . 1 1 115 115 LEU H H 92 8.189 8.189 7.628 0.561 18099 6189 1 8 . 1 1 116 116 ASP N N 93 120.843 120.843 120.082 0.761 18099 6190 1 8 . 1 1 116 116 ASP C C 93 177.336 177.336 178.745 -1.409 18099 6191 1 8 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.928 -0.688 18099 6192 1 8 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.988 -1.124 18099 6193 1 8 . 1 1 116 116 ASP H H 93 7.640 7.640 7.806 -0.166 18099 6194 1 8 . 1 1 117 117 LEU N N 94 122.447 122.447 122.133 0.314 18099 6195 1 8 . 1 1 117 117 LEU C C 94 177.853 177.853 177.907 -0.054 18099 6196 1 8 . 1 1 117 117 LEU CA C 94 57.563 57.563 58.147 -0.584 18099 6197 1 8 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.681 -1.011 18099 6198 1 8 . 1 1 117 117 LEU H H 94 7.480 7.480 8.062 -0.582 18099 6199 1 8 . 1 1 118 118 LEU N N 95 116.907 116.907 119.350 -2.443 18099 6200 1 8 . 1 1 118 118 LEU C C 95 180.923 180.923 178.653 2.270 18099 6201 1 8 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.727 -0.487 18099 6202 1 8 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.284 -0.956 18099 6203 1 8 . 1 1 118 118 LEU H H 95 7.892 7.892 7.476 0.416 18099 6204 1 8 . 1 1 119 119 SER N N 96 116.032 116.032 114.410 1.622 18099 6205 1 8 . 1 1 119 119 SER C C 96 176.343 176.343 176.917 -0.574 18099 6206 1 8 . 1 1 119 119 SER H H 96 8.410 8.410 7.583 0.827 18099 6207 1 8 . 1 1 120 120 VAL N N 97 119.385 119.385 121.843 -2.458 18099 6208 1 8 . 1 1 120 120 VAL C C 97 176.280 176.280 177.331 -1.051 18099 6209 1 8 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.194 -1.168 18099 6210 1 8 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.668 -1.617 18099 6211 1 8 . 1 1 120 120 VAL H H 97 7.255 7.255 8.174 -0.919 18099 6212 1 8 . 1 1 121 121 PHE N N 98 116.761 116.761 118.651 -1.890 18099 6213 1 8 . 1 1 121 121 PHE C C 98 176.206 176.206 176.387 -0.181 18099 6214 1 8 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.501 0.696 18099 6215 1 8 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.129 -0.235 18099 6216 1 8 . 1 1 121 121 PHE H H 98 7.151 7.151 8.421 -1.270 18099 6217 1 8 . 1 1 122 122 SER N N 99 115.449 115.449 114.613 0.836 18099 6218 1 8 . 1 1 122 122 SER C C 99 177.006 177.006 175.224 1.782 18099 6219 1 8 . 1 1 122 122 SER CA C 99 58.486 58.486 60.219 -1.733 18099 6220 1 8 . 1 1 122 122 SER CB C 99 63.834 63.834 64.151 -0.317 18099 6221 1 8 . 1 1 122 122 SER H H 99 7.270 7.270 7.716 -0.446 18099 6222 1 8 . 1 1 123 123 ASP C C 100 177.042 177.042 177.569 -0.527 18099 6223 1 8 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.382 0.797 18099 6224 1 8 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.313 -2.077 18099 6225 1 8 . 1 1 124 124 THR N N 101 111.076 111.076 116.090 -5.014 18099 6226 1 8 . 1 1 124 124 THR C C 101 174.909 174.909 174.941 -0.032 18099 6227 1 8 . 1 1 124 124 THR CA C 101 62.052 62.052 64.191 -2.139 18099 6228 1 8 . 1 1 124 124 THR CB C 101 68.486 68.486 68.965 -0.479 18099 6229 1 8 . 1 1 124 124 THR H H 101 8.147 8.147 8.119 0.028 18099 6230 1 8 . 1 1 125 125 ALA N N 102 124.196 124.196 125.112 -0.916 18099 6231 1 8 . 1 1 125 125 ALA C C 102 176.760 176.760 176.759 0.001 18099 6232 1 8 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.333 -0.830 18099 6233 1 8 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.921 0.371 18099 6234 1 8 . 1 1 125 125 ALA H H 102 6.801 6.801 7.491 -0.690 18099 6235 1 8 . 1 1 126 126 THR N N 103 111.513 111.513 117.135 -5.622 18099 6236 1 8 . 1 1 126 126 THR C C 103 173.925 173.925 174.322 -0.397 18099 6237 1 8 . 1 1 126 126 THR CA C 103 59.311 59.311 59.126 0.185 18099 6238 1 8 . 1 1 126 126 THR CB C 103 67.581 67.581 68.881 -1.300 18099 6239 1 8 . 1 1 126 126 THR H H 103 6.254 6.254 7.463 -1.209 18099 6240 1 8 . 1 1 127 127 PRO C C 104 178.402 178.402 178.791 -0.389 18099 6241 1 8 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.777 -1.643 18099 6242 1 8 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.622 -1.073 18099 6243 1 8 . 1 1 128 128 ASP N N 105 116.469 116.469 115.947 0.522 18099 6244 1 8 . 1 1 128 128 ASP C C 105 178.059 178.059 178.752 -0.693 18099 6245 1 8 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.519 -0.651 18099 6246 1 8 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.285 -0.939 18099 6247 1 8 . 1 1 128 128 ASP H H 105 8.341 8.341 8.873 -0.532 18099 6248 1 8 . 1 1 129 129 ILE N N 106 122.738 122.738 118.709 4.029 18099 6249 1 8 . 1 1 129 129 ILE C C 106 178.111 178.111 178.390 -0.279 18099 6250 1 8 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.021 1.229 18099 6251 1 8 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.852 -0.103 18099 6252 1 8 . 1 1 129 129 ILE H H 106 7.443 7.443 7.809 -0.366 18099 6253 1 8 . 1 1 130 130 LYS N N 107 119.677 119.677 122.351 -2.674 18099 6254 1 8 . 1 1 130 130 LYS C C 107 178.667 178.667 179.216 -0.549 18099 6255 1 8 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.667 -0.614 18099 6256 1 8 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.759 0.302 18099 6257 1 8 . 1 1 130 130 LYS H H 107 7.599 7.599 8.792 -1.193 18099 6258 1 8 . 1 1 131 131 SER N N 108 113.117 113.117 115.657 -2.540 18099 6259 1 8 . 1 1 131 131 SER C C 108 175.513 175.513 176.872 -1.359 18099 6260 1 8 . 1 1 131 131 SER CA C 108 61.857 61.857 61.862 -0.005 18099 6261 1 8 . 1 1 131 131 SER CB C 108 63.068 63.068 62.497 0.571 18099 6262 1 8 . 1 1 131 131 SER H H 108 8.470 8.470 8.651 -0.181 18099 6263 1 8 . 1 1 132 132 HIS N N 109 123.175 123.175 123.913 -0.738 18099 6264 1 8 . 1 1 132 132 HIS C C 109 178.143 178.143 177.608 0.535 18099 6265 1 8 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.742 -1.470 18099 6266 1 8 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.070 -0.190 18099 6267 1 8 . 1 1 132 132 HIS H H 109 7.991 7.991 8.148 -0.157 18099 6268 1 8 . 1 1 133 133 TYR N N 110 115.595 115.595 117.852 -2.257 18099 6269 1 8 . 1 1 133 133 TYR C C 110 177.946 177.946 177.797 0.149 18099 6270 1 8 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.468 2.007 18099 6271 1 8 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.919 -0.162 18099 6272 1 8 . 1 1 133 133 TYR H H 110 8.060 8.060 8.251 -0.191 18099 6273 1 8 . 1 1 134 134 ALA N N 111 122.009 122.009 122.962 -0.953 18099 6274 1 8 . 1 1 134 134 ALA C C 111 175.937 175.937 179.236 -3.299 18099 6275 1 8 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.177 0.017 18099 6276 1 8 . 1 1 134 134 ALA CB C 111 17.798 17.798 18.020 -0.222 18099 6277 1 8 . 1 1 134 134 ALA H H 111 8.293 8.293 8.111 0.182 18099 6278 1 8 . 1 1 135 135 PHE N N 112 116.615 116.615 120.323 -3.708 18099 6279 1 8 . 1 1 135 135 PHE C C 112 175.710 175.710 177.340 -1.630 18099 6280 1 8 . 1 1 135 135 PHE CA C 112 61.706 61.706 61.223 0.483 18099 6281 1 8 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.867 -0.727 18099 6282 1 8 . 1 1 135 135 PHE H H 112 7.589 7.589 8.385 -0.796 18099 6283 1 8 . 1 1 136 136 ARG N N 113 113.262 113.262 118.645 -5.383 18099 6284 1 8 . 1 1 136 136 ARG C C 113 179.471 179.471 178.214 1.257 18099 6285 1 8 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.290 -1.094 18099 6286 1 8 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.084 -1.110 18099 6287 1 8 . 1 1 136 136 ARG H H 113 7.090 7.090 7.629 -0.539 18099 6288 1 8 . 1 1 137 137 ILE N N 114 120.843 120.843 118.433 2.410 18099 6289 1 8 . 1 1 137 137 ILE C C 114 176.198 176.198 177.521 -1.323 18099 6290 1 8 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.012 0.410 18099 6291 1 8 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.289 -2.601 18099 6292 1 8 . 1 1 137 137 ILE H H 114 7.703 7.703 8.041 -0.338 18099 6293 1 8 . 1 1 138 138 PHE N N 115 117.636 117.636 117.908 -0.272 18099 6294 1 8 . 1 1 138 138 PHE C C 115 173.157 173.157 176.251 -3.094 18099 6295 1 8 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.473 -5.002 18099 6296 1 8 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.743 -2.816 18099 6297 1 8 . 1 1 138 138 PHE H H 115 7.185 7.185 8.572 -1.387 18099 6298 1 8 . 1 1 139 139 ASP N N 116 118.365 118.365 119.202 -0.837 18099 6299 1 8 . 1 1 139 139 ASP C C 116 176.437 176.437 177.917 -1.480 18099 6300 1 8 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.585 -2.724 18099 6301 1 8 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.625 -2.611 18099 6302 1 8 . 1 1 139 139 ASP H H 116 6.856 6.856 7.375 -0.519 18099 6303 1 8 . 1 1 140 140 PHE N N 117 121.864 121.864 127.916 -6.052 18099 6304 1 8 . 1 1 140 140 PHE C C 117 176.620 176.620 175.151 1.469 18099 6305 1 8 . 1 1 140 140 PHE CA C 117 62.410 62.410 60.830 1.580 18099 6306 1 8 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.380 -0.126 18099 6307 1 8 . 1 1 140 140 PHE H H 117 7.462 7.462 8.317 -0.855 18099 6308 1 8 . 1 1 141 141 ASP N N 118 114.866 114.866 115.199 -0.333 18099 6309 1 8 . 1 1 141 141 ASP C C 118 176.206 176.206 175.881 0.325 18099 6310 1 8 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.238 -2.704 18099 6311 1 8 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.570 -1.358 18099 6312 1 8 . 1 1 141 141 ASP H H 118 8.048 8.048 8.235 -0.187 18099 6313 1 8 . 1 1 142 142 ASP N N 119 116.761 116.761 116.362 0.399 18099 6314 1 8 . 1 1 142 142 ASP C C 119 175.386 175.386 175.962 -0.576 18099 6315 1 8 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.711 0.653 18099 6316 1 8 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.596 0.479 18099 6317 1 8 . 1 1 142 142 ASP H H 119 8.144 8.144 7.767 0.377 18099 6318 1 8 . 1 1 143 143 ASP N N 120 119.094 119.094 117.616 1.478 18099 6319 1 8 . 1 1 143 143 ASP C C 120 178.404 178.404 177.347 1.057 18099 6320 1 8 . 1 1 143 143 ASP CA C 120 53.933 53.933 55.014 -1.081 18099 6321 1 8 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.364 -0.435 18099 6322 1 8 . 1 1 143 143 ASP H H 120 8.124 8.124 7.993 0.131 18099 6323 1 8 . 1 1 144 144 GLY N N 121 115.303 115.303 106.389 8.914 18099 6324 1 8 . 1 1 144 144 GLY C C 121 173.571 173.571 174.318 -0.747 18099 6325 1 8 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.085 0.087 18099 6326 1 8 . 1 1 144 144 GLY H H 121 10.971 10.971 7.820 3.151 18099 6327 1 8 . 1 1 145 145 THR N N 122 110.930 110.930 117.827 -6.897 18099 6328 1 8 . 1 1 145 145 THR C C 122 173.029 173.029 174.214 -1.185 18099 6329 1 8 . 1 1 145 145 THR CA C 122 59.944 59.944 63.587 -3.643 18099 6330 1 8 . 1 1 145 145 THR CB C 122 72.345 72.345 69.813 2.532 18099 6331 1 8 . 1 1 145 145 THR H H 122 7.728 7.728 7.686 0.042 18099 6332 1 8 . 1 1 146 146 LEU N N 123 125.508 125.508 123.945 1.563 18099 6333 1 8 . 1 1 146 146 LEU C C 123 175.815 175.815 175.153 0.662 18099 6334 1 8 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.539 -0.166 18099 6335 1 8 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.409 -5.504 18099 6336 1 8 . 1 1 146 146 LEU H H 123 9.627 9.627 8.201 1.426 18099 6337 1 8 . 1 1 147 147 ASN N N 124 123.904 123.904 119.774 4.130 18099 6338 1 8 . 1 1 147 147 ASN CA C 124 49.532 49.532 51.468 -1.936 18099 6339 1 8 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.631 -1.316 18099 6340 1 8 . 1 1 147 147 ASN H H 124 8.700 8.700 8.417 0.283 18099 6341 1 8 . 1 1 148 148 ARG C C 125 178.331 178.331 178.116 0.215 18099 6342 1 8 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.149 0.752 18099 6343 1 8 . 1 1 148 148 ARG CB C 125 29.268 29.268 29.936 -0.668 18099 6344 1 8 . 1 1 149 149 GLU N N 126 120.114 120.114 118.971 1.143 18099 6345 1 8 . 1 1 149 149 GLU C C 126 179.537 179.537 178.962 0.575 18099 6346 1 8 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.384 -0.093 18099 6347 1 8 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.520 -1.526 18099 6348 1 8 . 1 1 149 149 GLU H H 126 7.679 7.679 8.437 -0.758 18099 6349 1 8 . 1 1 150 150 ASP N N 127 122.009 122.009 121.138 0.871 18099 6350 1 8 . 1 1 150 150 ASP C C 127 180.544 180.544 178.523 2.021 18099 6351 1 8 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.000 1.102 18099 6352 1 8 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.374 0.204 18099 6353 1 8 . 1 1 150 150 ASP H H 127 8.242 8.242 7.795 0.447 18099 6354 1 8 . 1 1 151 151 LEU C C 128 178.251 178.251 178.938 -0.687 18099 6355 1 8 . 1 1 151 151 LEU CA C 128 57.114 57.114 58.088 -0.974 18099 6356 1 8 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.605 -0.457 18099 6357 1 8 . 1 1 152 152 SER N N 129 116.324 116.324 113.832 2.492 18099 6358 1 8 . 1 1 152 152 SER C C 129 176.599 176.599 176.723 -0.124 18099 6359 1 8 . 1 1 152 152 SER CA C 129 61.113 61.113 61.272 -0.159 18099 6360 1 8 . 1 1 152 152 SER CB C 129 62.531 62.531 62.576 -0.045 18099 6361 1 8 . 1 1 152 152 SER H H 129 8.293 8.293 8.272 0.021 18099 6362 1 8 . 1 1 153 153 ARG N N 130 122.155 122.155 121.219 0.936 18099 6363 1 8 . 1 1 153 153 ARG C C 130 179.087 179.087 178.182 0.905 18099 6364 1 8 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.606 0.355 18099 6365 1 8 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.238 -2.487 18099 6366 1 8 . 1 1 153 153 ARG H H 130 7.590 7.590 7.153 0.437 18099 6367 1 8 . 1 1 154 154 LEU N N 131 122.447 122.447 121.413 1.034 18099 6368 1 8 . 1 1 154 154 LEU C C 131 178.570 178.570 178.599 -0.029 18099 6369 1 8 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.268 0.586 18099 6370 1 8 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.255 -0.595 18099 6371 1 8 . 1 1 154 154 LEU H H 131 8.307 8.307 7.794 0.513 18099 6372 1 8 . 1 1 155 155 VAL N N 132 118.802 118.802 114.971 3.831 18099 6373 1 8 . 1 1 155 155 VAL C C 132 178.948 178.948 177.085 1.863 18099 6374 1 8 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.485 0.008 18099 6375 1 8 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.734 -1.041 18099 6376 1 8 . 1 1 155 155 VAL H H 132 8.438 8.438 8.621 -0.183 18099 6377 1 8 . 1 1 156 156 ASN N N 133 119.677 119.677 119.399 0.278 18099 6378 1 8 . 1 1 156 156 ASN C C 133 177.953 177.953 177.536 0.417 18099 6379 1 8 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.852 0.097 18099 6380 1 8 . 1 1 156 156 ASN CB C 133 37.883 37.883 37.944 -0.061 18099 6381 1 8 . 1 1 156 156 ASN H H 133 8.057 8.057 7.707 0.350 18099 6382 1 8 . 1 1 157 157 CYS N N 134 118.219 118.219 119.120 -0.901 18099 6383 1 8 . 1 1 157 157 CYS C C 134 176.122 176.122 177.427 -1.305 18099 6384 1 8 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.186 -1.997 18099 6385 1 8 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.514 -0.585 18099 6386 1 8 . 1 1 157 157 CYS H H 134 7.851 7.851 7.832 0.019 18099 6387 1 8 . 1 1 158 158 LEU N N 135 117.782 117.782 118.849 -1.067 18099 6388 1 8 . 1 1 158 158 LEU C C 135 178.231 178.231 179.187 -0.956 18099 6389 1 8 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.328 -1.164 18099 6390 1 8 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.601 -0.289 18099 6391 1 8 . 1 1 158 158 LEU H H 135 7.691 7.691 7.787 -0.096 18099 6392 1 8 . 1 1 159 159 THR N N 136 109.763 109.763 113.711 -3.948 18099 6393 1 8 . 1 1 159 159 THR C C 136 175.724 175.724 175.276 0.448 18099 6394 1 8 . 1 1 159 159 THR CA C 136 62.297 62.297 65.472 -3.175 18099 6395 1 8 . 1 1 159 159 THR CB C 136 69.800 69.800 69.243 0.557 18099 6396 1 8 . 1 1 159 159 THR H H 136 7.785 7.785 7.878 -0.093 18099 6397 1 8 . 1 1 160 160 GLY N N 137 110.638 110.638 108.379 2.259 18099 6398 1 8 . 1 1 160 160 GLY C C 137 174.231 174.231 172.396 1.835 18099 6399 1 8 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.756 0.434 18099 6400 1 8 . 1 1 160 160 GLY H H 137 7.797 7.797 7.876 -0.079 18099 6401 1 8 . 1 1 161 161 GLU N N 138 120.260 120.260 124.117 -3.857 18099 6402 1 8 . 1 1 161 161 GLU C C 138 177.043 177.043 177.807 -0.764 18099 6403 1 8 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.833 -1.346 18099 6404 1 8 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.194 -0.478 18099 6405 1 8 . 1 1 161 161 GLU H H 138 8.239 8.239 7.774 0.465 18099 6406 1 8 . 1 1 162 162 GLY N N 139 109.909 109.909 112.250 -2.341 18099 6407 1 8 . 1 1 162 162 GLY C C 139 174.400 174.400 173.373 1.027 18099 6408 1 8 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.877 0.128 18099 6409 1 8 . 1 1 162 162 GLY H H 139 8.221 8.221 8.883 -0.662 18099 6410 1 8 . 1 1 164 164 ASP C C 141 176.480 176.480 176.694 -0.214 18099 6411 1 8 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.780 -0.140 18099 6412 1 8 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.107 -0.723 18099 6413 1 8 . 1 1 165 165 THR N N 142 112.242 112.242 113.317 -1.075 18099 6414 1 8 . 1 1 165 165 THR C C 142 174.251 174.251 174.839 -0.588 18099 6415 1 8 . 1 1 165 165 THR CA C 142 61.436 61.436 62.209 -0.773 18099 6416 1 8 . 1 1 165 165 THR CB C 142 69.364 69.364 69.286 0.078 18099 6417 1 8 . 1 1 165 165 THR H H 142 7.585 7.585 7.715 -0.131 18099 6418 1 8 . 1 1 166 166 ARG N N 143 123.467 123.467 119.995 3.472 18099 6419 1 8 . 1 1 166 166 ARG C C 143 176.360 176.360 175.418 0.942 18099 6420 1 8 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.083 -1.349 18099 6421 1 8 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.781 1.152 18099 6422 1 8 . 1 1 166 166 ARG H H 143 7.833 7.833 8.440 -0.607 18099 6423 1 8 . 1 1 167 167 LEU N N 144 124.342 124.342 122.986 1.356 18099 6424 1 8 . 1 1 167 167 LEU C C 144 177.614 177.614 175.609 2.005 18099 6425 1 8 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.206 1.129 18099 6426 1 8 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.773 -3.255 18099 6427 1 8 . 1 1 167 167 LEU H H 144 8.377 8.377 8.157 0.220 18099 6428 1 8 . 1 1 168 168 SER N N 145 119.385 119.385 117.477 1.908 18099 6429 1 8 . 1 1 168 168 SER C C 145 174.748 174.748 173.499 1.249 18099 6430 1 8 . 1 1 168 168 SER CA C 145 57.132 57.132 59.640 -2.508 18099 6431 1 8 . 1 1 168 168 SER CB C 145 64.882 64.882 63.630 1.252 18099 6432 1 8 . 1 1 168 168 SER H H 145 8.935 8.935 8.564 0.371 18099 6433 1 8 . 1 1 170 170 SER C C 147 177.296 177.296 176.190 1.106 18099 6434 1 8 . 1 1 170 170 SER CA C 147 60.665 60.665 61.083 -0.418 18099 6435 1 8 . 1 1 170 170 SER CB C 147 62.108 62.108 62.467 -0.359 18099 6436 1 8 . 1 1 171 171 GLU N N 148 124.488 124.488 121.213 3.275 18099 6437 1 8 . 1 1 171 171 GLU C C 148 179.525 179.525 178.712 0.813 18099 6438 1 8 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.859 -0.220 18099 6439 1 8 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.939 0.668 18099 6440 1 8 . 1 1 171 171 GLU H H 148 7.645 7.645 8.439 -0.794 18099 6441 1 8 . 1 1 172 172 MET N N 149 120.260 120.260 119.704 0.556 18099 6442 1 8 . 1 1 172 172 MET C C 149 177.117 177.117 177.865 -0.748 18099 6443 1 8 . 1 1 172 172 MET CA C 149 58.501 58.501 56.991 1.510 18099 6444 1 8 . 1 1 172 172 MET CB C 149 31.418 31.418 32.249 -0.831 18099 6445 1 8 . 1 1 172 172 MET H H 149 8.630 8.630 8.054 0.576 18099 6446 1 8 . 1 1 173 173 LYS N N 150 119.239 119.239 119.946 -0.707 18099 6447 1 8 . 1 1 173 173 LYS C C 150 178.012 178.012 178.778 -0.766 18099 6448 1 8 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.708 -0.101 18099 6449 1 8 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.343 -0.965 18099 6450 1 8 . 1 1 173 173 LYS H H 150 7.733 7.733 7.869 -0.136 18099 6451 1 8 . 1 1 174 174 GLN N N 151 116.907 116.907 116.884 0.023 18099 6452 1 8 . 1 1 174 174 GLN C C 151 178.172 178.172 178.522 -0.350 18099 6453 1 8 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.428 0.888 18099 6454 1 8 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.232 -0.124 18099 6455 1 8 . 1 1 174 174 GLN H H 151 7.513 7.513 7.778 -0.265 18099 6456 1 8 . 1 1 175 175 LEU N N 152 120.989 120.989 122.862 -1.873 18099 6457 1 8 . 1 1 175 175 LEU C C 152 179.226 179.226 178.558 0.668 18099 6458 1 8 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.177 -0.027 18099 6459 1 8 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.734 -0.741 18099 6460 1 8 . 1 1 175 175 LEU H H 152 7.819 7.819 7.624 0.195 18099 6461 1 8 . 1 1 176 176 ILE N N 153 119.823 119.823 118.639 1.184 18099 6462 1 8 . 1 1 176 176 ILE C C 153 177.893 177.893 178.508 -0.615 18099 6463 1 8 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.775 1.534 18099 6464 1 8 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.283 0.583 18099 6465 1 8 . 1 1 176 176 ILE H H 153 8.210 8.210 7.655 0.555 18099 6466 1 8 . 1 1 177 177 ASP N N 154 120.114 120.114 120.817 -0.703 18099 6467 1 8 . 1 1 177 177 ASP C C 154 179.605 179.605 178.894 0.711 18099 6468 1 8 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.547 -0.094 18099 6469 1 8 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.989 -1.040 18099 6470 1 8 . 1 1 177 177 ASP H H 154 8.581 8.581 8.013 0.568 18099 6471 1 8 . 1 1 178 178 ASN N N 155 120.114 120.114 118.559 1.555 18099 6472 1 8 . 1 1 178 178 ASN C C 155 177.813 177.813 178.022 -0.209 18099 6473 1 8 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.914 0.250 18099 6474 1 8 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.304 -0.236 18099 6475 1 8 . 1 1 178 178 ASN H H 155 8.150 8.150 8.096 0.054 18099 6476 1 8 . 1 1 179 179 ILE N N 156 122.301 122.301 121.061 1.240 18099 6477 1 8 . 1 1 179 179 ILE C C 156 180.182 180.182 177.985 2.197 18099 6478 1 8 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.570 -0.368 18099 6479 1 8 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.038 -0.522 18099 6480 1 8 . 1 1 179 179 ILE H H 156 8.360 8.360 7.737 0.623 18099 6481 1 8 . 1 1 180 180 LEU N N 157 121.864 121.864 120.614 1.250 18099 6482 1 8 . 1 1 180 180 LEU C C 157 178.859 178.859 179.210 -0.351 18099 6483 1 8 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.290 -0.189 18099 6484 1 8 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.698 -1.565 18099 6485 1 8 . 1 1 180 180 LEU H H 157 8.283 8.283 8.093 0.190 18099 6486 1 8 . 1 1 181 181 GLU N N 158 120.843 120.843 118.891 1.952 18099 6487 1 8 . 1 1 181 181 GLU C C 158 179.062 179.062 179.128 -0.066 18099 6488 1 8 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.471 -0.287 18099 6489 1 8 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.527 -0.840 18099 6490 1 8 . 1 1 181 181 GLU H H 158 8.465 8.465 8.256 0.209 18099 6491 1 8 . 1 1 182 182 GLU N N 159 114.574 114.574 117.333 -2.759 18099 6492 1 8 . 1 1 182 182 GLU C C 159 178.090 178.090 178.334 -0.244 18099 6493 1 8 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.356 -0.812 18099 6494 1 8 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.745 0.370 18099 6495 1 8 . 1 1 182 182 GLU H H 159 7.651 7.651 7.697 -0.046 18099 6496 1 8 . 1 1 183 183 SER N N 160 110.492 110.492 114.837 -4.345 18099 6497 1 8 . 1 1 183 183 SER C C 160 174.309 174.309 174.249 0.060 18099 6498 1 8 . 1 1 183 183 SER CA C 160 59.252 59.252 60.472 -1.220 18099 6499 1 8 . 1 1 183 183 SER CB C 160 65.311 65.311 63.921 1.390 18099 6500 1 8 . 1 1 183 183 SER H H 160 7.670 7.670 8.189 -0.519 18099 6501 1 8 . 1 1 184 184 ASP N N 161 120.551 120.551 121.016 -0.465 18099 6502 1 8 . 1 1 184 184 ASP C C 161 177.190 177.190 175.830 1.360 18099 6503 1 8 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.461 -2.044 18099 6504 1 8 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.469 -2.514 18099 6505 1 8 . 1 1 184 184 ASP H H 161 8.437 8.437 7.891 0.546 18099 6506 1 8 . 1 1 185 185 ILE N N 162 126.820 126.820 120.206 6.614 18099 6507 1 8 . 1 1 185 185 ILE C C 162 177.878 177.878 176.287 1.591 18099 6508 1 8 . 1 1 185 185 ILE CA C 162 63.556 63.556 62.998 0.558 18099 6509 1 8 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.783 -1.684 18099 6510 1 8 . 1 1 185 185 ILE H H 162 7.588 7.588 8.259 -0.671 18099 6511 1 8 . 1 1 186 186 ASP N N 163 116.615 116.615 117.685 -1.070 18099 6512 1 8 . 1 1 186 186 ASP C C 163 176.171 176.171 176.426 -0.255 18099 6513 1 8 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.841 -1.588 18099 6514 1 8 . 1 1 186 186 ASP CB C 163 38.780 38.780 40.163 -1.383 18099 6515 1 8 . 1 1 186 186 ASP H H 163 8.247 8.247 8.331 -0.084 18099 6516 1 8 . 1 1 187 187 ARG N N 164 115.303 115.303 115.209 0.094 18099 6517 1 8 . 1 1 187 187 ARG C C 164 176.086 176.086 175.881 0.205 18099 6518 1 8 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.942 -0.404 18099 6519 1 8 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.532 -3.005 18099 6520 1 8 . 1 1 187 187 ARG H H 164 7.597 7.597 8.157 -0.560 18099 6521 1 8 . 1 1 188 188 ASP N N 165 120.551 120.551 118.355 2.196 18099 6522 1 8 . 1 1 188 188 ASP C C 165 177.731 177.731 177.713 0.018 18099 6523 1 8 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.307 -1.671 18099 6524 1 8 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.546 -0.235 18099 6525 1 8 . 1 1 188 188 ASP H H 165 8.603 8.603 8.277 0.326 18099 6526 1 8 . 1 1 189 189 GLY N N 166 114.283 114.283 107.424 6.859 18099 6527 1 8 . 1 1 189 189 GLY C C 166 173.220 173.220 173.732 -0.512 18099 6528 1 8 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.275 -0.344 18099 6529 1 8 . 1 1 189 189 GLY H H 166 10.434 10.434 8.741 1.693 18099 6530 1 8 . 1 1 190 190 THR N N 167 110.201 110.201 110.780 -0.579 18099 6531 1 8 . 1 1 190 190 THR C C 167 173.793 173.793 173.000 0.793 18099 6532 1 8 . 1 1 190 190 THR CA C 167 59.054 59.054 60.330 -1.276 18099 6533 1 8 . 1 1 190 190 THR CB C 167 72.483 72.483 72.410 0.073 18099 6534 1 8 . 1 1 190 190 THR H H 167 8.087 8.087 8.488 -0.401 18099 6535 1 8 . 1 1 191 191 ILE N N 168 124.779 124.779 122.684 2.095 18099 6536 1 8 . 1 1 191 191 ILE C C 168 175.685 175.685 174.799 0.886 18099 6537 1 8 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.280 -1.203 18099 6538 1 8 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.742 -2.336 18099 6539 1 8 . 1 1 191 191 ILE H H 168 9.275 9.275 8.133 1.143 18099 6540 1 8 . 1 1 192 192 ASN N N 169 109.180 109.180 125.732 -16.552 18099 6541 1 8 . 1 1 192 192 ASN C C 169 175.095 175.095 176.275 -1.180 18099 6542 1 8 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.920 -0.968 18099 6543 1 8 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.243 -1.037 18099 6544 1 8 . 1 1 192 192 ASN H H 169 9.154 9.154 8.305 0.849 18099 6545 1 8 . 1 1 193 193 LEU N N 170 120.697 120.697 119.000 1.697 18099 6546 1 8 . 1 1 193 193 LEU C C 170 178.160 178.160 177.952 0.208 18099 6547 1 8 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.248 0.134 18099 6548 1 8 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.241 -0.763 18099 6549 1 8 . 1 1 193 193 LEU H H 170 8.162 8.162 8.151 0.011 18099 6550 1 8 . 1 1 194 194 SER N N 171 114.283 114.283 113.915 0.368 18099 6551 1 8 . 1 1 194 194 SER C C 171 178.124 178.124 176.745 1.379 18099 6552 1 8 . 1 1 194 194 SER CA C 171 60.901 60.901 61.022 -0.121 18099 6553 1 8 . 1 1 194 194 SER CB C 171 62.358 62.358 62.284 0.074 18099 6554 1 8 . 1 1 194 194 SER H H 171 7.812 7.812 7.890 -0.078 18099 6555 1 8 . 1 1 195 195 GLU N N 172 124.050 124.050 121.417 2.633 18099 6556 1 8 . 1 1 195 195 GLU C C 172 179.334 179.334 178.884 0.450 18099 6557 1 8 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.686 0.156 18099 6558 1 8 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.583 -0.799 18099 6559 1 8 . 1 1 195 195 GLU H H 172 8.540 8.540 9.049 -0.509 18099 6560 1 8 . 1 1 196 196 PHE N N 173 121.864 121.864 121.467 0.397 18099 6561 1 8 . 1 1 196 196 PHE C C 173 176.340 176.340 177.122 -0.782 18099 6562 1 8 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.240 -0.068 18099 6563 1 8 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.303 0.358 18099 6564 1 8 . 1 1 196 196 PHE H H 173 8.738 8.738 8.433 0.305 18099 6565 1 8 . 1 1 197 197 GLN N N 174 117.198 117.198 118.445 -1.247 18099 6566 1 8 . 1 1 197 197 GLN C C 174 178.868 178.868 177.930 0.938 18099 6567 1 8 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.106 -0.037 18099 6568 1 8 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.590 -1.070 18099 6569 1 8 . 1 1 197 197 GLN H H 174 8.912 8.912 8.166 0.746 18099 6570 1 8 . 1 1 198 198 HIS N N 175 120.697 120.697 118.724 1.973 18099 6571 1 8 . 1 1 198 198 HIS C C 175 177.236 177.236 177.865 -0.629 18099 6572 1 8 . 1 1 198 198 HIS CA C 175 59.715 59.715 57.652 2.063 18099 6573 1 8 . 1 1 198 198 HIS CB C 175 29.579 29.579 30.236 -0.657 18099 6574 1 8 . 1 1 198 198 HIS H H 175 8.165 8.165 7.415 0.750 18099 6575 1 8 . 1 1 199 199 VAL N N 176 117.927 117.927 119.022 -1.095 18099 6576 1 8 . 1 1 199 199 VAL C C 176 178.749 178.749 177.708 1.041 18099 6577 1 8 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.373 -0.741 18099 6578 1 8 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.444 -0.828 18099 6579 1 8 . 1 1 199 199 VAL H H 176 7.654 7.654 8.045 -0.391 18099 6580 1 8 . 1 1 200 200 ILE N N 177 117.636 117.636 116.464 1.172 18099 6581 1 8 . 1 1 200 200 ILE C C 177 178.331 178.331 176.880 1.451 18099 6582 1 8 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.580 -1.068 18099 6583 1 8 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.356 -2.097 18099 6584 1 8 . 1 1 200 200 ILE H H 177 7.540 7.540 7.575 -0.035 18099 6585 1 8 . 1 1 201 201 SER C C 178 174.450 174.450 175.624 -1.174 18099 6586 1 8 . 1 1 201 201 SER CA C 178 60.450 60.450 58.588 1.862 18099 6587 1 8 . 1 1 201 201 SER CB C 178 62.849 62.849 62.893 -0.044 18099 6588 1 8 . 1 1 202 202 ARG N N 179 118.073 118.073 122.078 -4.005 18099 6589 1 8 . 1 1 202 202 ARG C C 179 176.778 176.778 175.169 1.609 18099 6590 1 8 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.890 -1.694 18099 6591 1 8 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.305 -2.014 18099 6592 1 8 . 1 1 202 202 ARG H H 179 6.975 6.975 7.765 -0.790 18099 6593 1 8 . 1 1 203 203 SER N N 180 117.927 117.927 113.181 4.746 18099 6594 1 8 . 1 1 203 203 SER CA C 180 55.949 55.949 55.958 -0.009 18099 6595 1 8 . 1 1 203 203 SER CB C 180 63.786 63.786 65.351 -1.565 18099 6596 1 8 . 1 1 203 203 SER H H 180 7.391 7.391 7.451 -0.060 18099 6597 1 8 . 1 1 206 206 PHE C C 183 176.466 176.466 178.039 -1.573 18099 6598 1 8 . 1 1 206 206 PHE CA C 183 57.576 57.576 61.480 -3.904 18099 6599 1 8 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.512 0.954 18099 6600 1 8 . 1 1 207 207 ALA N N 184 123.904 123.904 121.543 2.361 18099 6601 1 8 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.176 -0.146 18099 6602 1 8 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.420 -0.230 18099 6603 1 8 . 1 1 207 207 ALA H H 184 8.032 8.032 7.763 0.269 18099 6604 1 8 . 1 1 211 211 LYS C C 188 175.805 175.805 176.017 -0.212 18099 6605 1 8 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.303 -3.152 18099 6606 1 8 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.958 -1.404 18099 6607 1 8 . 1 1 212 212 ILE N N 189 122.155 122.155 117.390 4.765 18099 6608 1 8 . 1 1 212 212 ILE C C 189 175.725 175.725 174.632 1.093 18099 6609 1 8 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.456 1.085 18099 6610 1 8 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.758 -0.819 18099 6611 1 8 . 1 1 212 212 ILE H H 189 7.940 7.940 8.121 -0.181 18099 6612 1 8 . 1 1 213 213 VAL N N 190 125.945 125.945 126.921 -0.976 18099 6613 1 8 . 1 1 213 213 VAL C C 190 174.938 174.938 174.908 0.030 18099 6614 1 8 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.355 0.515 18099 6615 1 8 . 1 1 213 213 VAL CB C 190 31.892 31.892 34.350 -2.458 18099 6616 1 8 . 1 1 213 213 VAL H H 190 8.076 8.076 8.626 -0.550 18099 6617 1 9 . 1 1 32 32 SER N N 9 117.053 117.053 120.175 -3.122 18099 6618 1 9 . 1 1 32 32 SER C C 9 174.637 174.637 175.303 -0.666 18099 6619 1 9 . 1 1 32 32 SER CA C 9 57.078 57.078 57.525 -0.447 18099 6620 1 9 . 1 1 32 32 SER CB C 9 64.513 64.513 64.992 -0.479 18099 6621 1 9 . 1 1 32 32 SER H H 9 7.690 7.690 8.162 -0.472 18099 6622 1 9 . 1 1 33 33 LYS C C 10 178.968 178.968 178.061 0.907 18099 6623 1 9 . 1 1 33 33 LYS CA C 10 59.051 59.051 56.990 2.061 18099 6624 1 9 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.649 -0.312 18099 6625 1 9 . 1 1 34 34 GLU N N 11 120.114 120.114 120.305 -0.191 18099 6626 1 9 . 1 1 34 34 GLU C C 11 178.968 178.968 178.200 0.768 18099 6627 1 9 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.572 1.035 18099 6628 1 9 . 1 1 34 34 GLU CB C 11 27.967 27.967 29.009 -1.042 18099 6629 1 9 . 1 1 34 34 GLU H H 11 8.720 8.720 7.466 1.254 18099 6630 1 9 . 1 1 35 35 LEU N N 12 122.738 122.738 120.977 1.761 18099 6631 1 9 . 1 1 35 35 LEU C C 12 178.749 178.749 178.880 -0.131 18099 6632 1 9 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.407 -0.383 18099 6633 1 9 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.652 -0.538 18099 6634 1 9 . 1 1 35 35 LEU H H 12 7.613 7.613 8.176 -0.563 18099 6635 1 9 . 1 1 36 36 LEU N N 13 118.510 118.510 119.254 -0.744 18099 6636 1 9 . 1 1 36 36 LEU C C 13 178.788 178.788 178.127 0.661 18099 6637 1 9 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.710 -0.040 18099 6638 1 9 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.193 -0.144 18099 6639 1 9 . 1 1 36 36 LEU H H 13 8.252 8.252 7.599 0.653 18099 6640 1 9 . 1 1 37 37 ALA N N 14 119.968 119.968 120.644 -0.676 18099 6641 1 9 . 1 1 37 37 ALA C C 14 180.023 180.023 179.456 0.567 18099 6642 1 9 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.652 -0.110 18099 6643 1 9 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.820 -0.390 18099 6644 1 9 . 1 1 37 37 ALA H H 14 7.664 7.664 7.729 -0.065 18099 6645 1 9 . 1 1 38 38 GLU N N 15 119.239 119.239 119.547 -0.308 18099 6646 1 9 . 1 1 38 38 GLU C C 15 179.326 179.326 178.352 0.974 18099 6647 1 9 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.726 -0.087 18099 6648 1 9 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.588 -1.145 18099 6649 1 9 . 1 1 38 38 GLU H H 15 7.501 7.501 7.605 -0.104 18099 6650 1 9 . 1 1 39 39 TYR N N 16 117.053 117.053 117.660 -0.607 18099 6651 1 9 . 1 1 39 39 TYR C C 16 178.868 178.868 178.221 0.647 18099 6652 1 9 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.520 -0.483 18099 6653 1 9 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.225 -0.873 18099 6654 1 9 . 1 1 39 39 TYR H H 16 8.156 8.156 7.377 0.779 18099 6655 1 9 . 1 1 40 40 GLN N N 17 121.718 121.718 119.062 2.656 18099 6656 1 9 . 1 1 40 40 GLN C C 17 176.938 176.938 177.294 -0.356 18099 6657 1 9 . 1 1 40 40 GLN CA C 17 58.531 58.531 57.906 0.625 18099 6658 1 9 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.496 0.016 18099 6659 1 9 . 1 1 40 40 GLN H H 17 8.287 8.287 7.546 0.741 18099 6660 1 9 . 1 1 41 41 ASP N N 18 117.636 117.636 120.444 -2.808 18099 6661 1 9 . 1 1 41 41 ASP C C 18 177.336 177.336 176.970 0.366 18099 6662 1 9 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.676 -1.083 18099 6663 1 9 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.906 -0.343 18099 6664 1 9 . 1 1 41 41 ASP H H 18 7.448 7.448 7.615 -0.167 18099 6665 1 9 . 1 1 42 42 LEU N N 19 117.782 117.782 119.817 -2.035 18099 6666 1 9 . 1 1 42 42 LEU C C 19 176.938 176.938 176.482 0.456 18099 6667 1 9 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.740 0.798 18099 6668 1 9 . 1 1 42 42 LEU CB C 19 42.930 42.930 41.980 0.950 18099 6669 1 9 . 1 1 42 42 LEU H H 19 7.444 7.444 8.580 -1.136 18099 6670 1 9 . 1 1 43 43 THR N N 20 109.763 109.763 114.834 -5.071 18099 6671 1 9 . 1 1 43 43 THR C C 20 173.096 173.096 175.670 -2.574 18099 6672 1 9 . 1 1 43 43 THR CA C 20 60.145 60.145 63.061 -2.916 18099 6673 1 9 . 1 1 43 43 THR CB C 20 71.461 71.461 70.424 1.037 18099 6674 1 9 . 1 1 43 43 THR H H 20 7.348 7.348 7.987 -0.639 18099 6675 1 9 . 1 1 44 44 PHE N N 21 117.490 117.490 122.308 -4.818 18099 6676 1 9 . 1 1 44 44 PHE C C 21 175.465 175.465 175.617 -0.152 18099 6677 1 9 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.821 -2.010 18099 6678 1 9 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.163 -1.858 18099 6679 1 9 . 1 1 44 44 PHE H H 21 7.686 7.686 7.988 -0.302 18099 6680 1 9 . 1 1 45 45 LEU N N 22 120.260 120.260 120.314 -0.054 18099 6681 1 9 . 1 1 45 45 LEU C C 22 177.017 177.017 177.104 -0.087 18099 6682 1 9 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.939 0.073 18099 6683 1 9 . 1 1 45 45 LEU CB C 22 43.157 43.157 40.873 2.284 18099 6684 1 9 . 1 1 45 45 LEU H H 22 7.350 7.350 7.745 -0.395 18099 6685 1 9 . 1 1 46 46 THR N N 23 111.076 111.076 118.440 -7.364 18099 6686 1 9 . 1 1 46 46 THR C C 23 176.002 176.002 174.759 1.243 18099 6687 1 9 . 1 1 46 46 THR CA C 23 60.468 60.468 62.140 -1.672 18099 6688 1 9 . 1 1 46 46 THR CB C 23 71.212 71.212 70.019 1.193 18099 6689 1 9 . 1 1 46 46 THR H H 23 8.666 8.666 8.232 0.434 18099 6690 1 9 . 1 1 47 47 LYS N N 24 120.260 120.260 118.718 1.542 18099 6691 1 9 . 1 1 47 47 LYS C C 24 178.231 178.231 178.639 -0.408 18099 6692 1 9 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.442 3.107 18099 6693 1 9 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.545 -2.127 18099 6694 1 9 . 1 1 47 47 LYS H H 24 8.598 8.598 8.271 0.327 18099 6695 1 9 . 1 1 48 48 GLN N N 25 116.324 116.324 121.412 -5.088 18099 6696 1 9 . 1 1 48 48 GLN C C 25 179.047 179.047 178.065 0.982 18099 6697 1 9 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.236 -0.275 18099 6698 1 9 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.650 -1.377 18099 6699 1 9 . 1 1 48 48 GLN H H 25 8.390 8.390 8.537 -0.147 18099 6700 1 9 . 1 1 49 49 GLU N N 26 119.677 119.677 120.070 -0.393 18099 6701 1 9 . 1 1 49 49 GLU C C 26 179.804 179.804 179.421 0.383 18099 6702 1 9 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.454 -0.385 18099 6703 1 9 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.552 0.773 18099 6704 1 9 . 1 1 49 49 GLU H H 26 7.644 7.644 7.974 -0.330 18099 6705 1 9 . 1 1 50 50 ILE N N 27 123.613 123.613 119.244 4.369 18099 6706 1 9 . 1 1 50 50 ILE C C 27 177.634 177.634 178.115 -0.481 18099 6707 1 9 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.808 2.501 18099 6708 1 9 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.720 0.352 18099 6709 1 9 . 1 1 50 50 ILE H H 27 8.344 8.344 7.640 0.704 18099 6710 1 9 . 1 1 51 51 LEU N N 28 120.697 120.697 122.625 -1.928 18099 6711 1 9 . 1 1 51 51 LEU C C 28 180.620 180.620 178.834 1.786 18099 6712 1 9 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.170 -0.070 18099 6713 1 9 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.693 -0.947 18099 6714 1 9 . 1 1 51 51 LEU H H 28 8.046 8.046 8.199 -0.153 18099 6715 1 9 . 1 1 52 52 LEU N N 29 121.426 121.426 120.187 1.239 18099 6716 1 9 . 1 1 52 52 LEU C C 29 178.968 178.968 178.477 0.491 18099 6717 1 9 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.569 0.101 18099 6718 1 9 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.334 -0.761 18099 6719 1 9 . 1 1 52 52 LEU H H 29 7.998 7.998 8.221 -0.223 18099 6720 1 9 . 1 1 53 53 ALA N N 30 122.447 122.447 121.390 1.057 18099 6721 1 9 . 1 1 53 53 ALA C C 30 179.804 179.804 179.380 0.424 18099 6722 1 9 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.262 -0.066 18099 6723 1 9 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.079 0.025 18099 6724 1 9 . 1 1 53 53 ALA H H 30 8.380 8.380 8.373 0.007 18099 6725 1 9 . 1 1 54 54 HIS N N 31 118.656 118.656 119.297 -0.641 18099 6726 1 9 . 1 1 54 54 HIS C C 31 177.475 177.475 177.406 0.069 18099 6727 1 9 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.509 2.250 18099 6728 1 9 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.067 0.552 18099 6729 1 9 . 1 1 54 54 HIS H H 31 8.760 8.760 8.470 0.290 18099 6730 1 9 . 1 1 55 55 ARG N N 32 121.135 121.135 118.702 2.433 18099 6731 1 9 . 1 1 55 55 ARG C C 32 179.366 179.366 178.521 0.845 18099 6732 1 9 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.224 0.383 18099 6733 1 9 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.928 -0.963 18099 6734 1 9 . 1 1 55 55 ARG H H 32 7.926 7.926 7.747 0.179 18099 6735 1 9 . 1 1 56 56 ARG N N 33 118.219 118.219 118.522 -0.303 18099 6736 1 9 . 1 1 56 56 ARG C C 33 178.669 178.669 179.004 -0.335 18099 6737 1 9 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.220 -0.072 18099 6738 1 9 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.904 -0.746 18099 6739 1 9 . 1 1 56 56 ARG H H 33 8.302 8.302 7.498 0.804 18099 6740 1 9 . 1 1 57 57 PHE N N 34 120.989 120.989 117.656 3.333 18099 6741 1 9 . 1 1 57 57 PHE C C 34 177.435 177.435 177.573 -0.138 18099 6742 1 9 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.251 0.970 18099 6743 1 9 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.502 1.047 18099 6744 1 9 . 1 1 57 57 PHE H H 34 8.675 8.675 8.036 0.639 18099 6745 1 9 . 1 1 58 58 CYS N N 35 114.283 114.283 118.535 -4.252 18099 6746 1 9 . 1 1 58 58 CYS C C 35 176.958 176.958 176.900 0.058 18099 6747 1 9 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.497 2.306 18099 6748 1 9 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.371 0.245 18099 6749 1 9 . 1 1 58 58 CYS H H 35 8.147 8.147 7.841 0.306 18099 6750 1 9 . 1 1 59 59 GLU N N 36 116.615 116.615 119.400 -2.785 18099 6751 1 9 . 1 1 59 59 GLU C C 36 177.276 177.276 177.607 -0.331 18099 6752 1 9 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.708 -0.822 18099 6753 1 9 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.423 -0.789 18099 6754 1 9 . 1 1 59 59 GLU H H 36 7.237 7.237 7.566 -0.329 18099 6755 1 9 . 1 1 60 60 LEU N N 37 116.615 116.615 117.278 -0.663 18099 6756 1 9 . 1 1 60 60 LEU C C 37 176.778 176.778 177.200 -0.422 18099 6757 1 9 . 1 1 60 60 LEU CA C 37 54.120 54.120 55.796 -1.676 18099 6758 1 9 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.208 -1.449 18099 6759 1 9 . 1 1 60 60 LEU H H 37 7.188 7.188 7.331 -0.143 18099 6760 1 9 . 1 1 61 61 LEU N N 38 119.531 119.531 119.357 0.174 18099 6761 1 9 . 1 1 61 61 LEU C C 38 174.848 174.848 174.370 0.478 18099 6762 1 9 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.452 0.301 18099 6763 1 9 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.725 -2.007 18099 6764 1 9 . 1 1 61 61 LEU H H 38 7.060 7.060 7.204 -0.144 18099 6765 1 9 . 1 1 63 63 GLN C C 40 177.754 177.754 178.261 -0.507 18099 6766 1 9 . 1 1 63 63 GLN CA C 40 59.266 59.266 58.986 0.280 18099 6767 1 9 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.280 -0.440 18099 6768 1 9 . 1 1 64 64 GLU N N 41 117.053 117.053 117.742 -0.689 18099 6769 1 9 . 1 1 64 64 GLU C C 41 177.276 177.276 177.792 -0.516 18099 6770 1 9 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.229 -0.021 18099 6771 1 9 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.293 -1.387 18099 6772 1 9 . 1 1 64 64 GLU H H 41 9.287 9.287 8.561 0.726 18099 6773 1 9 . 1 1 65 65 GLN N N 42 119.094 119.094 117.640 1.454 18099 6774 1 9 . 1 1 65 65 GLN C C 42 174.171 174.171 176.014 -1.843 18099 6775 1 9 . 1 1 65 65 GLN CA C 42 54.765 54.765 54.992 -0.228 18099 6776 1 9 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.430 0.839 18099 6777 1 9 . 1 1 65 65 GLN H H 42 8.006 8.006 7.620 0.386 18099 6778 1 9 . 1 1 66 66 ARG N N 43 115.157 115.157 119.258 -4.101 18099 6779 1 9 . 1 1 66 66 ARG C C 43 176.221 176.221 176.122 0.099 18099 6780 1 9 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.061 0.071 18099 6781 1 9 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.454 -1.276 18099 6782 1 9 . 1 1 66 66 ARG H H 43 7.039 7.039 7.465 -0.426 18099 6783 1 9 . 1 1 67 67 SER N N 44 114.720 114.720 115.783 -1.063 18099 6784 1 9 . 1 1 67 67 SER C C 44 175.505 175.505 175.964 -0.459 18099 6785 1 9 . 1 1 67 67 SER CA C 44 57.532 57.532 58.810 -1.278 18099 6786 1 9 . 1 1 67 67 SER CB C 44 63.911 63.911 63.782 0.129 18099 6787 1 9 . 1 1 67 67 SER H H 44 7.641 7.641 7.940 -0.299 18099 6788 1 9 . 1 1 68 68 VAL C C 45 178.271 178.271 177.592 0.679 18099 6789 1 9 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.330 2.006 18099 6790 1 9 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.961 -1.550 18099 6791 1 9 . 1 1 69 69 GLU N N 46 118.365 118.365 118.692 -0.327 18099 6792 1 9 . 1 1 69 69 GLU C C 46 179.187 179.187 177.813 1.374 18099 6793 1 9 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.080 0.635 18099 6794 1 9 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.155 -0.943 18099 6795 1 9 . 1 1 69 69 GLU H H 46 8.862 8.862 8.653 0.209 18099 6796 1 9 . 1 1 70 70 SER N N 47 114.137 114.137 112.972 1.165 18099 6797 1 9 . 1 1 70 70 SER C C 47 178.251 178.251 175.625 2.626 18099 6798 1 9 . 1 1 70 70 SER CA C 47 61.113 61.113 60.717 0.396 18099 6799 1 9 . 1 1 70 70 SER CB C 47 62.543 62.543 64.115 -1.573 18099 6800 1 9 . 1 1 70 70 SER H H 47 7.588 7.588 7.587 0.001 18099 6801 1 9 . 1 1 71 71 SER N N 48 121.280 121.280 119.252 2.028 18099 6802 1 9 . 1 1 71 71 SER C C 48 176.102 176.102 175.740 0.362 18099 6803 1 9 . 1 1 71 71 SER CA C 48 61.544 61.544 61.583 -0.039 18099 6804 1 9 . 1 1 71 71 SER CB C 48 63.348 63.348 63.402 -0.054 18099 6805 1 9 . 1 1 71 71 SER H H 48 8.785 8.785 7.820 0.965 18099 6806 1 9 . 1 1 72 72 LEU N N 49 120.551 120.551 120.209 0.342 18099 6807 1 9 . 1 1 72 72 LEU C C 49 177.555 177.555 178.636 -1.081 18099 6808 1 9 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.678 -0.514 18099 6809 1 9 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.377 -2.197 18099 6810 1 9 . 1 1 72 72 LEU H H 49 7.216 7.216 8.170 -0.954 18099 6811 1 9 . 1 1 73 73 ARG N N 50 116.469 116.469 118.022 -1.553 18099 6812 1 9 . 1 1 73 73 ARG C C 50 175.942 175.942 175.817 0.125 18099 6813 1 9 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.318 -1.553 18099 6814 1 9 . 1 1 73 73 ARG CB C 50 30.681 30.681 30.888 -0.207 18099 6815 1 9 . 1 1 73 73 ARG H H 50 7.394 7.394 7.906 -0.512 18099 6816 1 9 . 1 1 74 74 ALA N N 51 123.904 123.904 121.393 2.511 18099 6817 1 9 . 1 1 74 74 ALA C C 51 176.778 176.778 175.903 0.875 18099 6818 1 9 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.130 1.161 18099 6819 1 9 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.004 0.044 18099 6820 1 9 . 1 1 74 74 ALA H H 51 7.263 7.263 7.595 -0.332 18099 6821 1 9 . 1 1 75 75 GLN N N 52 118.073 118.073 119.488 -1.415 18099 6822 1 9 . 1 1 75 75 GLN C C 52 175.524 175.524 175.519 0.005 18099 6823 1 9 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.124 -1.327 18099 6824 1 9 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.292 -0.076 18099 6825 1 9 . 1 1 75 75 GLN H H 52 8.283 8.283 8.378 -0.095 18099 6826 1 9 . 1 1 76 76 VAL N N 53 124.925 124.925 121.183 3.742 18099 6827 1 9 . 1 1 76 76 VAL C C 53 173.753 173.753 173.954 -0.201 18099 6828 1 9 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.860 -0.006 18099 6829 1 9 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.481 0.541 18099 6830 1 9 . 1 1 76 76 VAL H H 53 9.093 9.093 8.205 0.888 18099 6831 1 9 . 1 1 77 77 PRO C C 54 178.132 178.132 177.260 0.872 18099 6832 1 9 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.319 -1.148 18099 6833 1 9 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.303 -0.047 18099 6834 1 9 . 1 1 78 78 PHE N N 55 120.406 120.406 122.456 -2.050 18099 6835 1 9 . 1 1 78 78 PHE C C 55 177.236 177.236 177.017 0.219 18099 6836 1 9 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.321 -4.435 18099 6837 1 9 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.560 -3.293 18099 6838 1 9 . 1 1 78 78 PHE H H 55 7.897 7.897 9.038 -1.141 18099 6839 1 9 . 1 1 79 79 GLU N N 56 117.636 117.636 117.737 -0.101 18099 6840 1 9 . 1 1 79 79 GLU C C 56 178.410 178.410 178.266 0.144 18099 6841 1 9 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.729 0.416 18099 6842 1 9 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.297 0.080 18099 6843 1 9 . 1 1 79 79 GLU H H 56 9.202 9.202 8.685 0.517 18099 6844 1 9 . 1 1 80 80 GLN N N 57 114.429 114.429 117.215 -2.786 18099 6845 1 9 . 1 1 80 80 GLN C C 57 178.012 178.012 178.049 -0.037 18099 6846 1 9 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.726 -1.379 18099 6847 1 9 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.173 1.180 18099 6848 1 9 . 1 1 80 80 GLN H H 57 7.332 7.332 8.455 -1.123 18099 6849 1 9 . 1 1 81 81 ILE N N 58 120.989 120.989 117.734 3.255 18099 6850 1 9 . 1 1 81 81 ILE C C 58 177.236 177.236 178.585 -1.349 18099 6851 1 9 . 1 1 81 81 ILE CA C 58 60.791 60.791 62.039 -1.248 18099 6852 1 9 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.220 -0.928 18099 6853 1 9 . 1 1 81 81 ILE H H 58 7.375 7.375 7.686 -0.311 18099 6854 1 9 . 1 1 82 82 LEU N N 59 116.469 116.469 117.635 -1.166 18099 6855 1 9 . 1 1 82 82 LEU C C 59 176.360 176.360 176.580 -0.220 18099 6856 1 9 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.494 -0.115 18099 6857 1 9 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.701 -1.026 18099 6858 1 9 . 1 1 82 82 LEU H H 59 8.144 8.144 7.343 0.801 18099 6859 1 9 . 1 1 83 83 SER N N 60 110.347 110.347 113.379 -3.032 18099 6860 1 9 . 1 1 83 83 SER C C 60 174.708 174.708 175.189 -0.481 18099 6861 1 9 . 1 1 83 83 SER CA C 60 58.316 58.316 59.104 -0.788 18099 6862 1 9 . 1 1 83 83 SER CB C 60 64.074 64.074 62.853 1.221 18099 6863 1 9 . 1 1 83 83 SER H H 60 7.038 7.038 7.381 -0.343 18099 6864 1 9 . 1 1 84 84 LEU N N 61 124.633 124.633 122.828 1.805 18099 6865 1 9 . 1 1 84 84 LEU C C 61 176.599 176.599 174.707 1.892 18099 6866 1 9 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.132 1.558 18099 6867 1 9 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.659 -3.256 18099 6868 1 9 . 1 1 84 84 LEU H H 61 7.674 7.674 7.167 0.507 18099 6869 1 9 . 1 1 85 85 PRO C C 62 178.457 178.457 178.705 -0.248 18099 6870 1 9 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.307 0.021 18099 6871 1 9 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.910 -1.000 18099 6872 1 9 . 1 1 86 86 GLU N N 63 117.198 117.198 118.179 -0.981 18099 6873 1 9 . 1 1 86 86 GLU C C 63 176.280 176.280 179.225 -2.945 18099 6874 1 9 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.333 0.361 18099 6875 1 9 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.185 -1.461 18099 6876 1 9 . 1 1 86 86 GLU H H 63 10.005 10.005 8.792 1.213 18099 6877 1 9 . 1 1 87 87 LEU N N 64 115.595 115.595 118.946 -3.351 18099 6878 1 9 . 1 1 87 87 LEU C C 64 178.197 178.197 179.234 -1.037 18099 6879 1 9 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.298 -2.037 18099 6880 1 9 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.620 2.174 18099 6881 1 9 . 1 1 87 87 LEU H H 64 7.347 7.347 7.913 -0.566 18099 6882 1 9 . 1 1 88 88 LYS N N 65 119.677 119.677 121.209 -1.532 18099 6883 1 9 . 1 1 88 88 LYS C C 65 176.891 176.891 177.760 -0.869 18099 6884 1 9 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.880 1.077 18099 6885 1 9 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.455 -0.925 18099 6886 1 9 . 1 1 88 88 LYS H H 65 7.841 7.841 7.559 0.282 18099 6887 1 9 . 1 1 89 89 ALA C C 66 176.503 176.503 177.151 -0.648 18099 6888 1 9 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.269 -2.443 18099 6889 1 9 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.733 -0.638 18099 6890 1 9 . 1 1 90 90 ASN N N 67 123.467 123.467 117.949 5.518 18099 6891 1 9 . 1 1 90 90 ASN C C 67 175.955 175.955 173.966 1.989 18099 6892 1 9 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.586 0.345 18099 6893 1 9 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.638 1.552 18099 6894 1 9 . 1 1 90 90 ASN H H 67 7.847 7.847 7.301 0.546 18099 6895 1 9 . 1 1 91 91 PRO C C 68 176.918 176.918 175.106 1.812 18099 6896 1 9 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.734 0.159 18099 6897 1 9 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.712 -0.360 18099 6898 1 9 . 1 1 92 92 PHE N N 69 116.178 116.178 114.649 1.529 18099 6899 1 9 . 1 1 92 92 PHE C C 69 176.977 176.977 176.123 0.854 18099 6900 1 9 . 1 1 92 92 PHE CA C 69 56.917 56.917 56.793 0.124 18099 6901 1 9 . 1 1 92 92 PHE CB C 69 38.077 38.077 38.296 -0.219 18099 6902 1 9 . 1 1 92 92 PHE H H 69 9.006 9.006 7.785 1.221 18099 6903 1 9 . 1 1 93 93 LYS N N 70 119.385 119.385 121.222 -1.837 18099 6904 1 9 . 1 1 93 93 LYS C C 70 175.982 175.982 177.685 -1.703 18099 6905 1 9 . 1 1 93 93 LYS CA C 70 60.468 60.468 59.722 0.746 18099 6906 1 9 . 1 1 93 93 LYS CB C 70 31.026 31.026 32.096 -1.070 18099 6907 1 9 . 1 1 93 93 LYS H H 70 7.693 7.693 7.916 -0.223 18099 6908 1 9 . 1 1 94 94 GLU N N 71 120.406 120.406 121.255 -0.849 18099 6909 1 9 . 1 1 94 94 GLU C C 71 179.007 179.007 178.867 0.140 18099 6910 1 9 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.510 1.066 18099 6911 1 9 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.260 -1.178 18099 6912 1 9 . 1 1 94 94 GLU H H 71 8.549 8.549 8.733 -0.184 18099 6913 1 9 . 1 1 95 95 ARG N N 72 119.677 119.677 119.178 0.499 18099 6914 1 9 . 1 1 95 95 ARG C C 72 178.112 178.112 178.902 -0.790 18099 6915 1 9 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.219 -2.732 18099 6916 1 9 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.266 -1.559 18099 6917 1 9 . 1 1 95 95 ARG H H 72 7.495 7.495 8.337 -0.842 18099 6918 1 9 . 1 1 96 96 ILE N N 73 119.094 119.094 120.975 -1.881 18099 6919 1 9 . 1 1 96 96 ILE C C 73 177.276 177.276 177.628 -0.352 18099 6920 1 9 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.537 0.526 18099 6921 1 9 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.993 -0.764 18099 6922 1 9 . 1 1 96 96 ILE H H 73 8.535 8.535 8.782 -0.247 18099 6923 1 9 . 1 1 97 97 CYS N N 74 115.157 115.157 117.228 -2.071 18099 6924 1 9 . 1 1 97 97 CYS C C 74 174.848 174.848 176.964 -2.116 18099 6925 1 9 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.569 2.525 18099 6926 1 9 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.746 -2.179 18099 6927 1 9 . 1 1 97 97 CYS H H 74 7.235 7.235 7.831 -0.596 18099 6928 1 9 . 1 1 98 98 ARG N N 75 115.886 115.886 121.269 -5.383 18099 6929 1 9 . 1 1 98 98 ARG C C 75 178.470 178.470 178.096 0.374 18099 6930 1 9 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.444 0.055 18099 6931 1 9 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.086 -0.787 18099 6932 1 9 . 1 1 98 98 ARG H H 75 7.136 7.136 7.850 -0.714 18099 6933 1 9 . 1 1 99 99 VAL N N 76 117.198 117.198 117.504 -0.306 18099 6934 1 9 . 1 1 99 99 VAL C C 76 177.236 177.236 176.988 0.248 18099 6935 1 9 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.183 -0.196 18099 6936 1 9 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.847 -1.000 18099 6937 1 9 . 1 1 99 99 VAL H H 76 8.043 8.043 8.045 -0.002 18099 6938 1 9 . 1 1 100 100 PHE N N 77 115.595 115.595 117.603 -2.008 18099 6939 1 9 . 1 1 100 100 PHE C C 77 175.007 175.007 175.929 -0.922 18099 6940 1 9 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.276 1.192 18099 6941 1 9 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.322 -1.536 18099 6942 1 9 . 1 1 100 100 PHE H H 77 7.436 7.436 7.704 -0.268 18099 6943 1 9 . 1 1 101 101 SER N N 78 112.533 112.533 113.968 -1.435 18099 6944 1 9 . 1 1 101 101 SER C C 78 177.156 177.156 174.007 3.149 18099 6945 1 9 . 1 1 101 101 SER CA C 78 58.639 58.639 58.707 -0.068 18099 6946 1 9 . 1 1 101 101 SER CB C 78 64.208 64.208 64.637 -0.429 18099 6947 1 9 . 1 1 101 101 SER H H 78 7.156 7.156 8.153 -0.997 18099 6948 1 9 . 1 1 102 102 THR N N 79 120.551 120.551 117.530 3.021 18099 6949 1 9 . 1 1 102 102 THR C C 79 175.763 175.763 173.574 2.189 18099 6950 1 9 . 1 1 102 102 THR CA C 79 61.328 61.328 61.168 0.160 18099 6951 1 9 . 1 1 102 102 THR CB C 79 68.647 68.647 70.047 -1.400 18099 6952 1 9 . 1 1 102 102 THR H H 79 9.267 9.267 8.397 0.870 18099 6953 1 9 . 1 1 103 103 SER N N 80 121.280 121.280 122.745 -1.465 18099 6954 1 9 . 1 1 103 103 SER C C 80 175.743 175.743 172.901 2.842 18099 6955 1 9 . 1 1 103 103 SER CA C 80 56.164 56.164 56.398 -0.234 18099 6956 1 9 . 1 1 103 103 SER CB C 80 63.221 63.221 63.561 -0.340 18099 6957 1 9 . 1 1 103 103 SER H H 80 8.120 8.120 8.194 -0.074 18099 6958 1 9 . 1 1 104 104 PRO C C 81 177.654 177.654 176.466 1.188 18099 6959 1 9 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.150 1.249 18099 6960 1 9 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.086 -0.704 18099 6961 1 9 . 1 1 105 105 ALA N N 82 117.927 117.927 120.037 -2.110 18099 6962 1 9 . 1 1 105 105 ALA C C 82 177.077 177.077 176.446 0.631 18099 6963 1 9 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.301 0.129 18099 6964 1 9 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.648 -1.625 18099 6965 1 9 . 1 1 105 105 ALA H H 82 7.961 7.961 8.156 -0.195 18099 6966 1 9 . 1 1 106 106 LYS N N 83 115.449 115.449 115.088 0.361 18099 6967 1 9 . 1 1 106 106 LYS C C 83 175.206 175.206 175.059 0.147 18099 6968 1 9 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.831 -0.990 18099 6969 1 9 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.673 -1.213 18099 6970 1 9 . 1 1 106 106 LYS H H 83 7.984 7.984 8.000 -0.016 18099 6971 1 9 . 1 1 107 107 ASP N N 84 112.242 112.242 113.963 -1.721 18099 6972 1 9 . 1 1 107 107 ASP C C 84 175.823 175.823 175.546 0.277 18099 6973 1 9 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.075 -1.784 18099 6974 1 9 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.985 -0.389 18099 6975 1 9 . 1 1 107 107 ASP H H 84 7.670 7.670 8.252 -0.582 18099 6976 1 9 . 1 1 108 108 SER N N 85 113.554 113.554 113.403 0.151 18099 6977 1 9 . 1 1 108 108 SER C C 85 172.897 172.897 173.036 -0.139 18099 6978 1 9 . 1 1 108 108 SER CA C 85 57.132 57.132 56.998 0.134 18099 6979 1 9 . 1 1 108 108 SER CB C 85 65.347 65.347 66.259 -0.912 18099 6980 1 9 . 1 1 108 108 SER H H 85 7.271 7.271 7.423 -0.152 18099 6981 1 9 . 1 1 109 109 LEU N N 86 121.426 121.426 121.054 0.372 18099 6982 1 9 . 1 1 109 109 LEU C C 86 176.400 176.400 175.861 0.539 18099 6983 1 9 . 1 1 109 109 LEU CA C 86 54.550 54.550 53.979 0.571 18099 6984 1 9 . 1 1 109 109 LEU CB C 86 44.020 44.020 45.650 -1.630 18099 6985 1 9 . 1 1 109 109 LEU H H 86 9.179 9.179 8.065 1.114 18099 6986 1 9 . 1 1 110 110 SER N N 87 117.927 117.927 117.379 0.548 18099 6987 1 9 . 1 1 110 110 SER C C 87 174.808 174.808 175.549 -0.741 18099 6988 1 9 . 1 1 110 110 SER CA C 87 56.056 56.056 56.249 -0.194 18099 6989 1 9 . 1 1 110 110 SER CB C 87 65.644 65.644 64.778 0.866 18099 6990 1 9 . 1 1 110 110 SER H H 87 8.305 8.305 8.931 -0.626 18099 6991 1 9 . 1 1 111 111 PHE N N 88 122.592 122.592 124.758 -2.166 18099 6992 1 9 . 1 1 111 111 PHE C C 88 176.798 176.798 176.738 0.060 18099 6993 1 9 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.876 1.592 18099 6994 1 9 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.071 -0.911 18099 6995 1 9 . 1 1 111 111 PHE H H 88 9.850 9.850 8.970 0.880 18099 6996 1 9 . 1 1 112 112 GLU N N 89 117.782 117.782 120.715 -2.933 18099 6997 1 9 . 1 1 112 112 GLU C C 89 178.490 178.490 178.413 0.077 18099 6998 1 9 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.338 0.807 18099 6999 1 9 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.707 -0.659 18099 7000 1 9 . 1 1 112 112 GLU H H 89 8.233 8.233 6.941 1.292 18099 7001 1 9 . 1 1 113 113 ASP N N 90 121.572 121.572 119.589 1.983 18099 7002 1 9 . 1 1 113 113 ASP C C 90 177.714 177.714 178.781 -1.067 18099 7003 1 9 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.112 -0.087 18099 7004 1 9 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.529 1.170 18099 7005 1 9 . 1 1 113 113 ASP H H 90 7.691 7.691 8.107 -0.416 18099 7006 1 9 . 1 1 114 114 PHE N N 91 121.135 121.135 120.572 0.563 18099 7007 1 9 . 1 1 114 114 PHE C C 91 176.460 176.460 177.242 -0.782 18099 7008 1 9 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.290 -1.253 18099 7009 1 9 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.300 -0.099 18099 7010 1 9 . 1 1 114 114 PHE H H 91 8.214 8.214 7.836 0.378 18099 7011 1 9 . 1 1 115 115 LEU N N 92 118.365 118.365 120.168 -1.803 18099 7012 1 9 . 1 1 115 115 LEU C C 92 179.187 179.187 178.325 0.862 18099 7013 1 9 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.947 -0.815 18099 7014 1 9 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.648 -1.373 18099 7015 1 9 . 1 1 115 115 LEU H H 92 8.189 8.189 7.908 0.281 18099 7016 1 9 . 1 1 116 116 ASP N N 93 120.843 120.843 119.751 1.092 18099 7017 1 9 . 1 1 116 116 ASP C C 93 177.336 177.336 178.760 -1.424 18099 7018 1 9 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.617 -0.377 18099 7019 1 9 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.590 -0.726 18099 7020 1 9 . 1 1 116 116 ASP H H 93 7.640 7.640 7.931 -0.291 18099 7021 1 9 . 1 1 117 117 LEU N N 94 122.447 122.447 121.513 0.934 18099 7022 1 9 . 1 1 117 117 LEU C C 94 177.853 177.853 177.856 -0.003 18099 7023 1 9 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.527 0.036 18099 7024 1 9 . 1 1 117 117 LEU CB C 94 40.670 40.670 40.880 -0.210 18099 7025 1 9 . 1 1 117 117 LEU H H 94 7.480 7.480 7.365 0.115 18099 7026 1 9 . 1 1 118 118 LEU N N 95 116.907 116.907 119.301 -2.394 18099 7027 1 9 . 1 1 118 118 LEU C C 95 180.923 180.923 178.830 2.093 18099 7028 1 9 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.780 -0.540 18099 7029 1 9 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.295 -0.967 18099 7030 1 9 . 1 1 118 118 LEU H H 95 7.892 7.892 7.512 0.380 18099 7031 1 9 . 1 1 119 119 SER N N 96 116.032 116.032 114.746 1.286 18099 7032 1 9 . 1 1 119 119 SER C C 96 176.343 176.343 176.919 -0.576 18099 7033 1 9 . 1 1 119 119 SER H H 96 8.410 8.410 7.898 0.512 18099 7034 1 9 . 1 1 120 120 VAL N N 97 119.385 119.385 121.328 -1.943 18099 7035 1 9 . 1 1 120 120 VAL C C 97 176.280 176.280 177.547 -1.267 18099 7036 1 9 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.291 -1.265 18099 7037 1 9 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.646 -1.595 18099 7038 1 9 . 1 1 120 120 VAL H H 97 7.255 7.255 7.902 -0.647 18099 7039 1 9 . 1 1 121 121 PHE N N 98 116.761 116.761 116.151 0.610 18099 7040 1 9 . 1 1 121 121 PHE C C 98 176.206 176.206 175.972 0.234 18099 7041 1 9 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.024 1.173 18099 7042 1 9 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.162 -0.268 18099 7043 1 9 . 1 1 121 121 PHE H H 98 7.151 7.151 7.988 -0.837 18099 7044 1 9 . 1 1 122 122 SER N N 99 115.449 115.449 114.934 0.515 18099 7045 1 9 . 1 1 122 122 SER C C 99 177.006 177.006 175.087 1.919 18099 7046 1 9 . 1 1 122 122 SER CA C 99 58.486 58.486 60.445 -1.959 18099 7047 1 9 . 1 1 122 122 SER CB C 99 63.834 63.834 64.197 -0.363 18099 7048 1 9 . 1 1 122 122 SER H H 99 7.270 7.270 7.520 -0.250 18099 7049 1 9 . 1 1 123 123 ASP C C 100 177.042 177.042 177.246 -0.204 18099 7050 1 9 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.098 1.081 18099 7051 1 9 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.563 -2.327 18099 7052 1 9 . 1 1 124 124 THR N N 101 111.076 111.076 116.597 -5.521 18099 7053 1 9 . 1 1 124 124 THR C C 101 174.909 174.909 174.924 -0.015 18099 7054 1 9 . 1 1 124 124 THR CA C 101 62.052 62.052 64.631 -2.579 18099 7055 1 9 . 1 1 124 124 THR CB C 101 68.486 68.486 68.964 -0.478 18099 7056 1 9 . 1 1 124 124 THR H H 101 8.147 8.147 7.907 0.240 18099 7057 1 9 . 1 1 125 125 ALA N N 102 124.196 124.196 124.275 -0.079 18099 7058 1 9 . 1 1 125 125 ALA C C 102 176.760 176.760 177.086 -0.326 18099 7059 1 9 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.111 -0.608 18099 7060 1 9 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.925 0.367 18099 7061 1 9 . 1 1 125 125 ALA H H 102 6.801 6.801 7.324 -0.523 18099 7062 1 9 . 1 1 126 126 THR N N 103 111.513 111.513 117.103 -5.590 18099 7063 1 9 . 1 1 126 126 THR C C 103 173.925 173.925 174.385 -0.460 18099 7064 1 9 . 1 1 126 126 THR CA C 103 59.311 59.311 59.254 0.057 18099 7065 1 9 . 1 1 126 126 THR CB C 103 67.581 67.581 68.741 -1.160 18099 7066 1 9 . 1 1 126 126 THR H H 103 6.254 6.254 7.724 -1.470 18099 7067 1 9 . 1 1 127 127 PRO C C 104 178.402 178.402 178.633 -0.231 18099 7068 1 9 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.446 -1.312 18099 7069 1 9 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.640 -1.091 18099 7070 1 9 . 1 1 128 128 ASP N N 105 116.469 116.469 116.398 0.071 18099 7071 1 9 . 1 1 128 128 ASP C C 105 178.059 178.059 178.560 -0.501 18099 7072 1 9 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.012 -0.144 18099 7073 1 9 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.352 -1.006 18099 7074 1 9 . 1 1 128 128 ASP H H 105 8.341 8.341 8.545 -0.204 18099 7075 1 9 . 1 1 129 129 ILE N N 106 122.738 122.738 120.036 2.702 18099 7076 1 9 . 1 1 129 129 ILE C C 106 178.111 178.111 178.156 -0.045 18099 7077 1 9 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.549 0.701 18099 7078 1 9 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.843 -0.094 18099 7079 1 9 . 1 1 129 129 ILE H H 106 7.443 7.443 7.436 0.007 18099 7080 1 9 . 1 1 130 130 LYS N N 107 119.677 119.677 120.842 -1.165 18099 7081 1 9 . 1 1 130 130 LYS C C 107 178.667 178.667 178.878 -0.211 18099 7082 1 9 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.745 -0.692 18099 7083 1 9 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.434 0.626 18099 7084 1 9 . 1 1 130 130 LYS H H 107 7.599 7.599 8.861 -1.262 18099 7085 1 9 . 1 1 131 131 SER N N 108 113.117 113.117 114.666 -1.549 18099 7086 1 9 . 1 1 131 131 SER C C 108 175.513 175.513 176.879 -1.366 18099 7087 1 9 . 1 1 131 131 SER CA C 108 61.857 61.857 61.952 -0.095 18099 7088 1 9 . 1 1 131 131 SER CB C 108 63.068 63.068 62.582 0.486 18099 7089 1 9 . 1 1 131 131 SER H H 108 8.470 8.470 8.002 0.468 18099 7090 1 9 . 1 1 132 132 HIS N N 109 123.175 123.175 123.302 -0.127 18099 7091 1 9 . 1 1 132 132 HIS C C 109 178.143 178.143 177.760 0.383 18099 7092 1 9 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.060 -0.788 18099 7093 1 9 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.159 -0.279 18099 7094 1 9 . 1 1 132 132 HIS H H 109 7.991 7.991 7.699 0.292 18099 7095 1 9 . 1 1 133 133 TYR N N 110 115.595 115.595 118.044 -2.449 18099 7096 1 9 . 1 1 133 133 TYR C C 110 177.946 177.946 177.907 0.039 18099 7097 1 9 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.090 2.385 18099 7098 1 9 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.856 -0.099 18099 7099 1 9 . 1 1 133 133 TYR H H 110 8.060 8.060 8.935 -0.875 18099 7100 1 9 . 1 1 134 134 ALA N N 111 122.009 122.009 122.517 -0.508 18099 7101 1 9 . 1 1 134 134 ALA C C 111 175.937 175.937 179.109 -3.172 18099 7102 1 9 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.079 0.115 18099 7103 1 9 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.923 -0.125 18099 7104 1 9 . 1 1 134 134 ALA H H 111 8.293 8.293 8.462 -0.169 18099 7105 1 9 . 1 1 135 135 PHE N N 112 116.615 116.615 120.228 -3.613 18099 7106 1 9 . 1 1 135 135 PHE C C 112 175.710 175.710 177.275 -1.565 18099 7107 1 9 . 1 1 135 135 PHE CA C 112 61.706 61.706 61.002 0.704 18099 7108 1 9 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.782 -0.642 18099 7109 1 9 . 1 1 135 135 PHE H H 112 7.589 7.589 7.990 -0.401 18099 7110 1 9 . 1 1 136 136 ARG N N 113 113.262 113.262 118.392 -5.130 18099 7111 1 9 . 1 1 136 136 ARG C C 113 179.471 179.471 177.927 1.544 18099 7112 1 9 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.149 -0.953 18099 7113 1 9 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.125 -1.151 18099 7114 1 9 . 1 1 136 136 ARG H H 113 7.090 7.090 7.582 -0.492 18099 7115 1 9 . 1 1 137 137 ILE N N 114 120.843 120.843 118.521 2.322 18099 7116 1 9 . 1 1 137 137 ILE C C 114 176.198 176.198 177.430 -1.232 18099 7117 1 9 . 1 1 137 137 ILE CA C 114 64.422 64.422 63.902 0.520 18099 7118 1 9 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.101 -2.413 18099 7119 1 9 . 1 1 137 137 ILE H H 114 7.703 7.703 7.958 -0.255 18099 7120 1 9 . 1 1 138 138 PHE N N 115 117.636 117.636 117.936 -0.300 18099 7121 1 9 . 1 1 138 138 PHE C C 115 173.157 173.157 176.256 -3.099 18099 7122 1 9 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.376 -4.905 18099 7123 1 9 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.768 -2.841 18099 7124 1 9 . 1 1 138 138 PHE H H 115 7.185 7.185 8.437 -1.252 18099 7125 1 9 . 1 1 139 139 ASP N N 116 118.365 118.365 118.997 -0.632 18099 7126 1 9 . 1 1 139 139 ASP C C 116 176.437 176.437 177.813 -1.376 18099 7127 1 9 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.431 -2.570 18099 7128 1 9 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.639 -2.625 18099 7129 1 9 . 1 1 139 139 ASP H H 116 6.856 6.856 7.349 -0.493 18099 7130 1 9 . 1 1 140 140 PHE N N 117 121.864 121.864 127.673 -5.809 18099 7131 1 9 . 1 1 140 140 PHE C C 117 176.620 176.620 175.028 1.592 18099 7132 1 9 . 1 1 140 140 PHE CA C 117 62.410 62.410 60.826 1.584 18099 7133 1 9 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.362 -0.108 18099 7134 1 9 . 1 1 140 140 PHE H H 117 7.462 7.462 8.053 -0.591 18099 7135 1 9 . 1 1 141 141 ASP N N 118 114.866 114.866 115.281 -0.415 18099 7136 1 9 . 1 1 141 141 ASP C C 118 176.206 176.206 175.944 0.262 18099 7137 1 9 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.278 -2.744 18099 7138 1 9 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.704 -1.492 18099 7139 1 9 . 1 1 141 141 ASP H H 118 8.048 8.048 8.237 -0.189 18099 7140 1 9 . 1 1 142 142 ASP N N 119 116.761 116.761 116.168 0.593 18099 7141 1 9 . 1 1 142 142 ASP C C 119 175.386 175.386 175.895 -0.509 18099 7142 1 9 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.622 0.742 18099 7143 1 9 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.459 0.616 18099 7144 1 9 . 1 1 142 142 ASP H H 119 8.144 8.144 7.879 0.265 18099 7145 1 9 . 1 1 143 143 ASP N N 120 119.094 119.094 117.016 2.078 18099 7146 1 9 . 1 1 143 143 ASP C C 120 178.404 178.404 177.347 1.057 18099 7147 1 9 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.973 -1.040 18099 7148 1 9 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.475 -0.547 18099 7149 1 9 . 1 1 143 143 ASP H H 120 8.124 8.124 7.899 0.225 18099 7150 1 9 . 1 1 144 144 GLY N N 121 115.303 115.303 107.793 7.510 18099 7151 1 9 . 1 1 144 144 GLY C C 121 173.571 173.571 174.214 -0.643 18099 7152 1 9 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.136 0.036 18099 7153 1 9 . 1 1 144 144 GLY H H 121 10.971 10.971 8.790 2.181 18099 7154 1 9 . 1 1 145 145 THR N N 122 110.930 110.930 118.805 -7.875 18099 7155 1 9 . 1 1 145 145 THR C C 122 173.029 173.029 174.185 -1.156 18099 7156 1 9 . 1 1 145 145 THR CA C 122 59.944 59.944 63.520 -3.576 18099 7157 1 9 . 1 1 145 145 THR CB C 122 72.345 72.345 69.890 2.455 18099 7158 1 9 . 1 1 145 145 THR H H 122 7.728 7.728 7.817 -0.089 18099 7159 1 9 . 1 1 146 146 LEU N N 123 125.508 125.508 123.607 1.901 18099 7160 1 9 . 1 1 146 146 LEU C C 123 175.815 175.815 175.266 0.549 18099 7161 1 9 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.451 -0.078 18099 7162 1 9 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.644 -5.739 18099 7163 1 9 . 1 1 146 146 LEU H H 123 9.627 9.627 8.168 1.459 18099 7164 1 9 . 1 1 147 147 ASN N N 124 123.904 123.904 119.449 4.455 18099 7165 1 9 . 1 1 147 147 ASN CA C 124 49.532 49.532 51.394 -1.862 18099 7166 1 9 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.528 -1.213 18099 7167 1 9 . 1 1 147 147 ASN H H 124 8.700 8.700 8.405 0.295 18099 7168 1 9 . 1 1 148 148 ARG C C 125 178.331 178.331 178.227 0.104 18099 7169 1 9 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.535 0.366 18099 7170 1 9 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.002 -0.734 18099 7171 1 9 . 1 1 149 149 GLU N N 126 120.114 120.114 119.513 0.601 18099 7172 1 9 . 1 1 149 149 GLU C C 126 179.537 179.537 179.235 0.302 18099 7173 1 9 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.347 -0.056 18099 7174 1 9 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.480 -1.486 18099 7175 1 9 . 1 1 149 149 GLU H H 126 7.679 7.679 8.544 -0.865 18099 7176 1 9 . 1 1 150 150 ASP N N 127 122.009 122.009 121.014 0.995 18099 7177 1 9 . 1 1 150 150 ASP C C 127 180.544 180.544 178.667 1.877 18099 7178 1 9 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.174 0.928 18099 7179 1 9 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.372 0.206 18099 7180 1 9 . 1 1 150 150 ASP H H 127 8.242 8.242 8.369 -0.127 18099 7181 1 9 . 1 1 151 151 LEU C C 128 178.251 178.251 178.975 -0.724 18099 7182 1 9 . 1 1 151 151 LEU CA C 128 57.114 57.114 58.028 -0.914 18099 7183 1 9 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.659 -0.511 18099 7184 1 9 . 1 1 152 152 SER N N 129 116.324 116.324 113.958 2.366 18099 7185 1 9 . 1 1 152 152 SER C C 129 176.599 176.599 176.849 -0.250 18099 7186 1 9 . 1 1 152 152 SER CA C 129 61.113 61.113 61.484 -0.371 18099 7187 1 9 . 1 1 152 152 SER CB C 129 62.531 62.531 62.624 -0.093 18099 7188 1 9 . 1 1 152 152 SER H H 129 8.293 8.293 8.323 -0.030 18099 7189 1 9 . 1 1 153 153 ARG N N 130 122.155 122.155 121.079 1.076 18099 7190 1 9 . 1 1 153 153 ARG C C 130 179.087 179.087 178.036 1.051 18099 7191 1 9 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.471 0.490 18099 7192 1 9 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.250 -2.499 18099 7193 1 9 . 1 1 153 153 ARG H H 130 7.590 7.590 7.226 0.364 18099 7194 1 9 . 1 1 154 154 LEU N N 131 122.447 122.447 121.353 1.094 18099 7195 1 9 . 1 1 154 154 LEU C C 131 178.570 178.570 178.545 0.025 18099 7196 1 9 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.233 0.620 18099 7197 1 9 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.136 -0.475 18099 7198 1 9 . 1 1 154 154 LEU H H 131 8.307 8.307 7.611 0.696 18099 7199 1 9 . 1 1 155 155 VAL N N 132 118.802 118.802 114.984 3.818 18099 7200 1 9 . 1 1 155 155 VAL C C 132 178.948 178.948 177.015 1.933 18099 7201 1 9 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.477 0.016 18099 7202 1 9 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.726 -1.033 18099 7203 1 9 . 1 1 155 155 VAL H H 132 8.438 8.438 8.671 -0.233 18099 7204 1 9 . 1 1 156 156 ASN N N 133 119.677 119.677 119.473 0.204 18099 7205 1 9 . 1 1 156 156 ASN C C 133 177.953 177.953 177.532 0.421 18099 7206 1 9 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.818 0.131 18099 7207 1 9 . 1 1 156 156 ASN CB C 133 37.883 37.883 37.943 -0.060 18099 7208 1 9 . 1 1 156 156 ASN H H 133 8.057 8.057 7.694 0.363 18099 7209 1 9 . 1 1 157 157 CYS N N 134 118.219 118.219 119.198 -0.979 18099 7210 1 9 . 1 1 157 157 CYS C C 134 176.122 176.122 177.430 -1.308 18099 7211 1 9 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.153 -1.964 18099 7212 1 9 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.580 -0.651 18099 7213 1 9 . 1 1 157 157 CYS H H 134 7.851 7.851 7.801 0.050 18099 7214 1 9 . 1 1 158 158 LEU N N 135 117.782 117.782 119.037 -1.255 18099 7215 1 9 . 1 1 158 158 LEU C C 135 178.231 178.231 179.236 -1.005 18099 7216 1 9 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.374 -1.210 18099 7217 1 9 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.625 -0.313 18099 7218 1 9 . 1 1 158 158 LEU H H 135 7.691 7.691 7.856 -0.165 18099 7219 1 9 . 1 1 159 159 THR N N 136 109.763 109.763 113.712 -3.949 18099 7220 1 9 . 1 1 159 159 THR C C 136 175.724 175.724 175.263 0.461 18099 7221 1 9 . 1 1 159 159 THR CA C 136 62.297 62.297 65.502 -3.205 18099 7222 1 9 . 1 1 159 159 THR CB C 136 69.800 69.800 69.232 0.568 18099 7223 1 9 . 1 1 159 159 THR H H 136 7.785 7.785 7.872 -0.087 18099 7224 1 9 . 1 1 160 160 GLY N N 137 110.638 110.638 108.390 2.248 18099 7225 1 9 . 1 1 160 160 GLY C C 137 174.231 174.231 172.383 1.848 18099 7226 1 9 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.732 0.458 18099 7227 1 9 . 1 1 160 160 GLY H H 137 7.797 7.797 7.853 -0.056 18099 7228 1 9 . 1 1 161 161 GLU N N 138 120.260 120.260 124.127 -3.867 18099 7229 1 9 . 1 1 161 161 GLU C C 138 177.043 177.043 177.857 -0.814 18099 7230 1 9 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.797 -1.310 18099 7231 1 9 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.197 -0.481 18099 7232 1 9 . 1 1 161 161 GLU H H 138 8.239 8.239 7.774 0.465 18099 7233 1 9 . 1 1 162 162 GLY N N 139 109.909 109.909 112.219 -2.310 18099 7234 1 9 . 1 1 162 162 GLY C C 139 174.400 174.400 173.378 1.022 18099 7235 1 9 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.884 0.121 18099 7236 1 9 . 1 1 162 162 GLY H H 139 8.221 8.221 8.883 -0.662 18099 7237 1 9 . 1 1 164 164 ASP C C 141 176.480 176.480 176.668 -0.188 18099 7238 1 9 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.758 -0.117 18099 7239 1 9 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.119 -0.735 18099 7240 1 9 . 1 1 165 165 THR N N 142 112.242 112.242 113.362 -1.120 18099 7241 1 9 . 1 1 165 165 THR C C 142 174.251 174.251 174.834 -0.583 18099 7242 1 9 . 1 1 165 165 THR CA C 142 61.436 61.436 62.263 -0.827 18099 7243 1 9 . 1 1 165 165 THR CB C 142 69.364 69.364 69.285 0.079 18099 7244 1 9 . 1 1 165 165 THR H H 142 7.585 7.585 7.722 -0.137 18099 7245 1 9 . 1 1 166 166 ARG N N 143 123.467 123.467 119.972 3.495 18099 7246 1 9 . 1 1 166 166 ARG C C 143 176.360 176.360 175.368 0.992 18099 7247 1 9 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.117 -1.383 18099 7248 1 9 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.814 1.119 18099 7249 1 9 . 1 1 166 166 ARG H H 143 7.833 7.833 8.450 -0.617 18099 7250 1 9 . 1 1 167 167 LEU N N 144 124.342 124.342 122.931 1.411 18099 7251 1 9 . 1 1 167 167 LEU C C 144 177.614 177.614 175.651 1.963 18099 7252 1 9 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.218 1.117 18099 7253 1 9 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.755 -3.237 18099 7254 1 9 . 1 1 167 167 LEU H H 144 8.377 8.377 8.167 0.210 18099 7255 1 9 . 1 1 168 168 SER N N 145 119.385 119.385 116.833 2.552 18099 7256 1 9 . 1 1 168 168 SER C C 145 174.748 174.748 174.264 0.484 18099 7257 1 9 . 1 1 168 168 SER CA C 145 57.132 57.132 59.708 -2.576 18099 7258 1 9 . 1 1 168 168 SER CB C 145 64.882 64.882 63.493 1.389 18099 7259 1 9 . 1 1 168 168 SER H H 145 8.935 8.935 8.369 0.566 18099 7260 1 9 . 1 1 170 170 SER C C 147 177.296 177.296 176.189 1.107 18099 7261 1 9 . 1 1 170 170 SER CA C 147 60.665 60.665 61.079 -0.414 18099 7262 1 9 . 1 1 170 170 SER CB C 147 62.108 62.108 62.496 -0.388 18099 7263 1 9 . 1 1 171 171 GLU N N 148 124.488 124.488 121.220 3.268 18099 7264 1 9 . 1 1 171 171 GLU C C 148 179.525 179.525 178.695 0.830 18099 7265 1 9 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.868 -0.229 18099 7266 1 9 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.934 0.673 18099 7267 1 9 . 1 1 171 171 GLU H H 148 7.645 7.645 8.430 -0.785 18099 7268 1 9 . 1 1 172 172 MET N N 149 120.260 120.260 119.594 0.666 18099 7269 1 9 . 1 1 172 172 MET C C 149 177.117 177.117 177.843 -0.726 18099 7270 1 9 . 1 1 172 172 MET CA C 149 58.501 58.501 56.956 1.545 18099 7271 1 9 . 1 1 172 172 MET CB C 149 31.418 31.418 32.258 -0.840 18099 7272 1 9 . 1 1 172 172 MET H H 149 8.630 8.630 8.039 0.591 18099 7273 1 9 . 1 1 173 173 LYS N N 150 119.239 119.239 120.008 -0.769 18099 7274 1 9 . 1 1 173 173 LYS C C 150 178.012 178.012 178.791 -0.779 18099 7275 1 9 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.706 -0.099 18099 7276 1 9 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.338 -0.960 18099 7277 1 9 . 1 1 173 173 LYS H H 150 7.733 7.733 7.793 -0.060 18099 7278 1 9 . 1 1 174 174 GLN N N 151 116.907 116.907 116.971 -0.064 18099 7279 1 9 . 1 1 174 174 GLN C C 151 178.172 178.172 178.493 -0.321 18099 7280 1 9 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.499 0.817 18099 7281 1 9 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.237 -0.130 18099 7282 1 9 . 1 1 174 174 GLN H H 151 7.513 7.513 7.787 -0.274 18099 7283 1 9 . 1 1 175 175 LEU N N 152 120.989 120.989 122.809 -1.820 18099 7284 1 9 . 1 1 175 175 LEU C C 152 179.226 179.226 178.587 0.639 18099 7285 1 9 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.187 -0.037 18099 7286 1 9 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.713 -0.720 18099 7287 1 9 . 1 1 175 175 LEU H H 152 7.819 7.819 7.626 0.193 18099 7288 1 9 . 1 1 176 176 ILE N N 153 119.823 119.823 118.600 1.223 18099 7289 1 9 . 1 1 176 176 ILE C C 153 177.893 177.893 178.484 -0.591 18099 7290 1 9 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.767 1.542 18099 7291 1 9 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.267 0.598 18099 7292 1 9 . 1 1 176 176 ILE H H 153 8.210 8.210 7.640 0.570 18099 7293 1 9 . 1 1 177 177 ASP N N 154 120.114 120.114 120.904 -0.790 18099 7294 1 9 . 1 1 177 177 ASP C C 154 179.605 179.605 178.906 0.699 18099 7295 1 9 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.551 -0.098 18099 7296 1 9 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.983 -1.034 18099 7297 1 9 . 1 1 177 177 ASP H H 154 8.581 8.581 8.008 0.573 18099 7298 1 9 . 1 1 178 178 ASN N N 155 120.114 120.114 118.544 1.570 18099 7299 1 9 . 1 1 178 178 ASN C C 155 177.813 177.813 178.029 -0.216 18099 7300 1 9 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.888 0.276 18099 7301 1 9 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.319 -0.251 18099 7302 1 9 . 1 1 178 178 ASN H H 155 8.150 8.150 8.151 -0.001 18099 7303 1 9 . 1 1 179 179 ILE N N 156 122.301 122.301 120.735 1.566 18099 7304 1 9 . 1 1 179 179 ILE C C 156 180.182 180.182 177.936 2.246 18099 7305 1 9 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.482 -0.280 18099 7306 1 9 . 1 1 179 179 ILE CB C 156 37.516 37.516 37.964 -0.448 18099 7307 1 9 . 1 1 179 179 ILE H H 156 8.360 8.360 7.781 0.579 18099 7308 1 9 . 1 1 180 180 LEU N N 157 121.864 121.864 120.564 1.300 18099 7309 1 9 . 1 1 180 180 LEU C C 157 178.859 178.859 179.304 -0.445 18099 7310 1 9 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.287 -0.186 18099 7311 1 9 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.665 -1.532 18099 7312 1 9 . 1 1 180 180 LEU H H 157 8.283 8.283 8.151 0.132 18099 7313 1 9 . 1 1 181 181 GLU N N 158 120.843 120.843 119.232 1.611 18099 7314 1 9 . 1 1 181 181 GLU C C 158 179.062 179.062 179.182 -0.120 18099 7315 1 9 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.500 -0.316 18099 7316 1 9 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.481 -0.794 18099 7317 1 9 . 1 1 181 181 GLU H H 158 8.465 8.465 8.320 0.145 18099 7318 1 9 . 1 1 182 182 GLU N N 159 114.574 114.574 117.352 -2.778 18099 7319 1 9 . 1 1 182 182 GLU C C 159 178.090 178.090 178.345 -0.255 18099 7320 1 9 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.413 -0.869 18099 7321 1 9 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.707 0.408 18099 7322 1 9 . 1 1 182 182 GLU H H 159 7.651 7.651 7.713 -0.062 18099 7323 1 9 . 1 1 183 183 SER N N 160 110.492 110.492 114.801 -4.309 18099 7324 1 9 . 1 1 183 183 SER C C 160 174.309 174.309 174.201 0.108 18099 7325 1 9 . 1 1 183 183 SER CA C 160 59.252 59.252 60.504 -1.252 18099 7326 1 9 . 1 1 183 183 SER CB C 160 65.311 65.311 63.964 1.347 18099 7327 1 9 . 1 1 183 183 SER H H 160 7.670 7.670 8.232 -0.562 18099 7328 1 9 . 1 1 184 184 ASP N N 161 120.551 120.551 121.023 -0.472 18099 7329 1 9 . 1 1 184 184 ASP C C 161 177.190 177.190 175.801 1.389 18099 7330 1 9 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.408 -1.991 18099 7331 1 9 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.462 -2.507 18099 7332 1 9 . 1 1 184 184 ASP H H 161 8.437 8.437 8.096 0.341 18099 7333 1 9 . 1 1 185 185 ILE N N 162 126.820 126.820 120.271 6.549 18099 7334 1 9 . 1 1 185 185 ILE C C 162 177.878 177.878 176.269 1.609 18099 7335 1 9 . 1 1 185 185 ILE CA C 162 63.556 63.556 62.898 0.658 18099 7336 1 9 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.799 -1.700 18099 7337 1 9 . 1 1 185 185 ILE H H 162 7.588 7.588 8.262 -0.674 18099 7338 1 9 . 1 1 186 186 ASP N N 163 116.615 116.615 117.720 -1.105 18099 7339 1 9 . 1 1 186 186 ASP C C 163 176.171 176.171 176.442 -0.271 18099 7340 1 9 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.813 -1.560 18099 7341 1 9 . 1 1 186 186 ASP CB C 163 38.780 38.780 40.205 -1.425 18099 7342 1 9 . 1 1 186 186 ASP H H 163 8.247 8.247 8.324 -0.077 18099 7343 1 9 . 1 1 187 187 ARG N N 164 115.303 115.303 115.424 -0.121 18099 7344 1 9 . 1 1 187 187 ARG C C 164 176.086 176.086 175.853 0.233 18099 7345 1 9 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.902 -0.364 18099 7346 1 9 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.506 -2.979 18099 7347 1 9 . 1 1 187 187 ARG H H 164 7.597 7.597 8.168 -0.571 18099 7348 1 9 . 1 1 188 188 ASP N N 165 120.551 120.551 118.202 2.349 18099 7349 1 9 . 1 1 188 188 ASP C C 165 177.731 177.731 177.726 0.005 18099 7350 1 9 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.278 -1.642 18099 7351 1 9 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.597 -0.286 18099 7352 1 9 . 1 1 188 188 ASP H H 165 8.603 8.603 8.236 0.367 18099 7353 1 9 . 1 1 189 189 GLY N N 166 114.283 114.283 107.097 7.186 18099 7354 1 9 . 1 1 189 189 GLY C C 166 173.220 173.220 173.772 -0.552 18099 7355 1 9 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.224 -0.293 18099 7356 1 9 . 1 1 189 189 GLY H H 166 10.434 10.434 8.713 1.721 18099 7357 1 9 . 1 1 190 190 THR N N 167 110.201 110.201 111.058 -0.857 18099 7358 1 9 . 1 1 190 190 THR C C 167 173.793 173.793 173.083 0.710 18099 7359 1 9 . 1 1 190 190 THR CA C 167 59.054 59.054 60.284 -1.230 18099 7360 1 9 . 1 1 190 190 THR CB C 167 72.483 72.483 72.395 0.088 18099 7361 1 9 . 1 1 190 190 THR H H 167 8.087 8.087 8.473 -0.386 18099 7362 1 9 . 1 1 191 191 ILE N N 168 124.779 124.779 121.817 2.962 18099 7363 1 9 . 1 1 191 191 ILE C C 168 175.685 175.685 174.833 0.852 18099 7364 1 9 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.254 -1.177 18099 7365 1 9 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.879 -2.473 18099 7366 1 9 . 1 1 191 191 ILE H H 168 9.275 9.275 8.172 1.103 18099 7367 1 9 . 1 1 192 192 ASN N N 169 109.180 109.180 125.155 -15.975 18099 7368 1 9 . 1 1 192 192 ASN C C 169 175.095 175.095 176.477 -1.382 18099 7369 1 9 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.922 -0.970 18099 7370 1 9 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.369 -1.163 18099 7371 1 9 . 1 1 192 192 ASN H H 169 9.154 9.154 8.335 0.819 18099 7372 1 9 . 1 1 193 193 LEU N N 170 120.697 120.697 118.829 1.868 18099 7373 1 9 . 1 1 193 193 LEU C C 170 178.160 178.160 177.897 0.263 18099 7374 1 9 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.219 0.163 18099 7375 1 9 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.383 -0.905 18099 7376 1 9 . 1 1 193 193 LEU H H 170 8.162 8.162 8.166 -0.004 18099 7377 1 9 . 1 1 194 194 SER N N 171 114.283 114.283 114.486 -0.203 18099 7378 1 9 . 1 1 194 194 SER C C 171 178.124 178.124 177.011 1.113 18099 7379 1 9 . 1 1 194 194 SER CA C 171 60.901 60.901 61.338 -0.437 18099 7380 1 9 . 1 1 194 194 SER CB C 171 62.358 62.358 62.592 -0.234 18099 7381 1 9 . 1 1 194 194 SER H H 171 7.812 7.812 8.022 -0.210 18099 7382 1 9 . 1 1 195 195 GLU N N 172 124.050 124.050 121.703 2.347 18099 7383 1 9 . 1 1 195 195 GLU C C 172 179.334 179.334 178.885 0.449 18099 7384 1 9 . 1 1 195 195 GLU CA C 172 58.842 58.842 59.109 -0.268 18099 7385 1 9 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.698 -0.914 18099 7386 1 9 . 1 1 195 195 GLU H H 172 8.540 8.540 9.084 -0.544 18099 7387 1 9 . 1 1 196 196 PHE N N 173 121.864 121.864 121.278 0.586 18099 7388 1 9 . 1 1 196 196 PHE C C 173 176.340 176.340 177.146 -0.806 18099 7389 1 9 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.416 -0.244 18099 7390 1 9 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.425 0.236 18099 7391 1 9 . 1 1 196 196 PHE H H 173 8.738 8.738 8.677 0.061 18099 7392 1 9 . 1 1 197 197 GLN N N 174 117.198 117.198 118.577 -1.379 18099 7393 1 9 . 1 1 197 197 GLN C C 174 178.868 178.868 177.915 0.953 18099 7394 1 9 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.052 0.017 18099 7395 1 9 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.466 -0.946 18099 7396 1 9 . 1 1 197 197 GLN H H 174 8.912 8.912 8.343 0.569 18099 7397 1 9 . 1 1 198 198 HIS N N 175 120.697 120.697 118.710 1.987 18099 7398 1 9 . 1 1 198 198 HIS C C 175 177.236 177.236 177.993 -0.757 18099 7399 1 9 . 1 1 198 198 HIS CA C 175 59.715 59.715 58.595 1.120 18099 7400 1 9 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.899 -0.320 18099 7401 1 9 . 1 1 198 198 HIS H H 175 8.165 8.165 7.365 0.800 18099 7402 1 9 . 1 1 199 199 VAL N N 176 117.927 117.927 119.166 -1.239 18099 7403 1 9 . 1 1 199 199 VAL C C 176 178.749 178.749 178.005 0.744 18099 7404 1 9 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.330 -0.698 18099 7405 1 9 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.429 -0.813 18099 7406 1 9 . 1 1 199 199 VAL H H 176 7.654 7.654 8.119 -0.465 18099 7407 1 9 . 1 1 200 200 ILE N N 177 117.636 117.636 116.462 1.174 18099 7408 1 9 . 1 1 200 200 ILE C C 177 178.331 178.331 176.919 1.412 18099 7409 1 9 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.604 -1.092 18099 7410 1 9 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.278 -2.019 18099 7411 1 9 . 1 1 200 200 ILE H H 177 7.540 7.540 7.714 -0.174 18099 7412 1 9 . 1 1 201 201 SER C C 178 174.450 174.450 175.669 -1.219 18099 7413 1 9 . 1 1 201 201 SER CA C 178 60.450 60.450 58.661 1.789 18099 7414 1 9 . 1 1 201 201 SER CB C 178 62.849 62.849 62.811 0.038 18099 7415 1 9 . 1 1 202 202 ARG N N 179 118.073 118.073 122.087 -4.014 18099 7416 1 9 . 1 1 202 202 ARG C C 179 176.778 176.778 175.292 1.486 18099 7417 1 9 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.954 -1.758 18099 7418 1 9 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.277 -1.986 18099 7419 1 9 . 1 1 202 202 ARG H H 179 6.975 6.975 7.771 -0.796 18099 7420 1 9 . 1 1 203 203 SER N N 180 117.927 117.927 113.271 4.656 18099 7421 1 9 . 1 1 203 203 SER CA C 180 55.949 55.949 55.996 -0.047 18099 7422 1 9 . 1 1 203 203 SER CB C 180 63.786 63.786 65.350 -1.564 18099 7423 1 9 . 1 1 203 203 SER H H 180 7.391 7.391 7.431 -0.040 18099 7424 1 9 . 1 1 206 206 PHE C C 183 176.466 176.466 177.976 -1.510 18099 7425 1 9 . 1 1 206 206 PHE CA C 183 57.576 57.576 61.341 -3.765 18099 7426 1 9 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.619 0.847 18099 7427 1 9 . 1 1 207 207 ALA N N 184 123.904 123.904 121.312 2.592 18099 7428 1 9 . 1 1 207 207 ALA CA C 184 55.030 55.030 54.998 0.032 18099 7429 1 9 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.475 -0.285 18099 7430 1 9 . 1 1 207 207 ALA H H 184 8.032 8.032 7.706 0.326 18099 7431 1 9 . 1 1 211 211 LYS C C 188 175.805 175.805 175.821 -0.016 18099 7432 1 9 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.404 -3.254 18099 7433 1 9 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.856 -1.302 18099 7434 1 9 . 1 1 212 212 ILE N N 189 122.155 122.155 117.306 4.849 18099 7435 1 9 . 1 1 212 212 ILE C C 189 175.725 175.725 174.765 0.960 18099 7436 1 9 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.579 0.962 18099 7437 1 9 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.503 -0.564 18099 7438 1 9 . 1 1 212 212 ILE H H 189 7.940 7.940 8.162 -0.222 18099 7439 1 9 . 1 1 213 213 VAL N N 190 125.945 125.945 126.408 -0.463 18099 7440 1 9 . 1 1 213 213 VAL C C 190 174.938 174.938 175.188 -0.250 18099 7441 1 9 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.216 0.654 18099 7442 1 9 . 1 1 213 213 VAL CB C 190 31.892 31.892 33.913 -2.021 18099 7443 1 9 . 1 1 213 213 VAL H H 190 8.076 8.076 8.417 -0.341 18099 7444 1 10 . 1 1 32 32 SER N N 9 117.053 117.053 119.176 -2.123 18099 7445 1 10 . 1 1 32 32 SER C C 9 174.637 174.637 175.353 -0.716 18099 7446 1 10 . 1 1 32 32 SER CA C 9 57.078 57.078 57.232 -0.154 18099 7447 1 10 . 1 1 32 32 SER CB C 9 64.513 64.513 64.958 -0.445 18099 7448 1 10 . 1 1 32 32 SER H H 9 7.690 7.690 8.048 -0.358 18099 7449 1 10 . 1 1 33 33 LYS C C 10 178.968 178.968 178.364 0.604 18099 7450 1 10 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.598 1.453 18099 7451 1 10 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.689 -0.352 18099 7452 1 10 . 1 1 34 34 GLU N N 11 120.114 120.114 120.035 0.079 18099 7453 1 10 . 1 1 34 34 GLU C C 11 178.968 178.968 178.237 0.731 18099 7454 1 10 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.484 1.123 18099 7455 1 10 . 1 1 34 34 GLU CB C 11 27.967 27.967 29.044 -1.077 18099 7456 1 10 . 1 1 34 34 GLU H H 11 8.720 8.720 7.474 1.246 18099 7457 1 10 . 1 1 35 35 LEU N N 12 122.738 122.738 121.302 1.436 18099 7458 1 10 . 1 1 35 35 LEU C C 12 178.749 178.749 179.015 -0.266 18099 7459 1 10 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.362 -0.337 18099 7460 1 10 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.719 -0.606 18099 7461 1 10 . 1 1 35 35 LEU H H 12 7.613 7.613 8.088 -0.475 18099 7462 1 10 . 1 1 36 36 LEU N N 13 118.510 118.510 119.385 -0.875 18099 7463 1 10 . 1 1 36 36 LEU C C 13 178.788 178.788 178.127 0.661 18099 7464 1 10 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.764 -0.094 18099 7465 1 10 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.175 -0.126 18099 7466 1 10 . 1 1 36 36 LEU H H 13 8.252 8.252 7.457 0.795 18099 7467 1 10 . 1 1 37 37 ALA N N 14 119.968 119.968 120.513 -0.545 18099 7468 1 10 . 1 1 37 37 ALA C C 14 180.023 180.023 179.586 0.437 18099 7469 1 10 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.412 0.130 18099 7470 1 10 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.935 -0.505 18099 7471 1 10 . 1 1 37 37 ALA H H 14 7.664 7.664 7.616 0.048 18099 7472 1 10 . 1 1 38 38 GLU N N 15 119.239 119.239 119.726 -0.487 18099 7473 1 10 . 1 1 38 38 GLU C C 15 179.326 179.326 178.320 1.006 18099 7474 1 10 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.754 -0.115 18099 7475 1 10 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.610 -1.167 18099 7476 1 10 . 1 1 38 38 GLU H H 15 7.501 7.501 7.582 -0.081 18099 7477 1 10 . 1 1 39 39 TYR N N 16 117.053 117.053 117.727 -0.674 18099 7478 1 10 . 1 1 39 39 TYR C C 16 178.868 178.868 178.060 0.808 18099 7479 1 10 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.596 -0.559 18099 7480 1 10 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.232 -0.880 18099 7481 1 10 . 1 1 39 39 TYR H H 16 8.156 8.156 7.458 0.698 18099 7482 1 10 . 1 1 40 40 GLN N N 17 121.718 121.718 118.505 3.213 18099 7483 1 10 . 1 1 40 40 GLN C C 17 176.938 176.938 177.332 -0.394 18099 7484 1 10 . 1 1 40 40 GLN CA C 17 58.531 58.531 58.353 0.178 18099 7485 1 10 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.508 0.004 18099 7486 1 10 . 1 1 40 40 GLN H H 17 8.287 8.287 7.604 0.683 18099 7487 1 10 . 1 1 41 41 ASP N N 18 117.636 117.636 120.553 -2.917 18099 7488 1 10 . 1 1 41 41 ASP C C 18 177.336 177.336 176.911 0.425 18099 7489 1 10 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.759 -1.166 18099 7490 1 10 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.863 -0.300 18099 7491 1 10 . 1 1 41 41 ASP H H 18 7.448 7.448 7.519 -0.071 18099 7492 1 10 . 1 1 42 42 LEU N N 19 117.782 117.782 117.757 0.025 18099 7493 1 10 . 1 1 42 42 LEU C C 19 176.938 176.938 176.600 0.338 18099 7494 1 10 . 1 1 42 42 LEU CA C 19 55.538 55.538 53.817 1.721 18099 7495 1 10 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.169 0.761 18099 7496 1 10 . 1 1 42 42 LEU H H 19 7.444 7.444 8.515 -1.071 18099 7497 1 10 . 1 1 43 43 THR N N 20 109.763 109.763 114.716 -4.953 18099 7498 1 10 . 1 1 43 43 THR C C 20 173.096 173.096 175.182 -2.086 18099 7499 1 10 . 1 1 43 43 THR CA C 20 60.145 60.145 62.890 -2.745 18099 7500 1 10 . 1 1 43 43 THR CB C 20 71.461 71.461 70.926 0.535 18099 7501 1 10 . 1 1 43 43 THR H H 20 7.348 7.348 7.836 -0.488 18099 7502 1 10 . 1 1 44 44 PHE N N 21 117.490 117.490 122.349 -4.859 18099 7503 1 10 . 1 1 44 44 PHE C C 21 175.465 175.465 175.410 0.055 18099 7504 1 10 . 1 1 44 44 PHE CA C 21 56.810 56.810 59.686 -2.876 18099 7505 1 10 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.196 -1.891 18099 7506 1 10 . 1 1 44 44 PHE H H 21 7.686 7.686 7.939 -0.253 18099 7507 1 10 . 1 1 45 45 LEU N N 22 120.260 120.260 118.613 1.647 18099 7508 1 10 . 1 1 45 45 LEU C C 22 177.017 177.017 176.375 0.642 18099 7509 1 10 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.400 0.612 18099 7510 1 10 . 1 1 45 45 LEU CB C 22 43.157 43.157 44.735 -1.578 18099 7511 1 10 . 1 1 45 45 LEU H H 22 7.350 7.350 7.588 -0.238 18099 7512 1 10 . 1 1 46 46 THR N N 23 111.076 111.076 116.259 -5.183 18099 7513 1 10 . 1 1 46 46 THR C C 23 176.002 176.002 175.270 0.732 18099 7514 1 10 . 1 1 46 46 THR CA C 23 60.468 60.468 60.732 -0.264 18099 7515 1 10 . 1 1 46 46 THR CB C 23 71.212 71.212 70.530 0.682 18099 7516 1 10 . 1 1 46 46 THR H H 23 8.666 8.666 8.414 0.252 18099 7517 1 10 . 1 1 47 47 LYS N N 24 120.260 120.260 118.850 1.410 18099 7518 1 10 . 1 1 47 47 LYS C C 24 178.231 178.231 178.801 -0.570 18099 7519 1 10 . 1 1 47 47 LYS CA C 24 60.549 60.549 58.596 1.953 18099 7520 1 10 . 1 1 47 47 LYS CB C 24 31.418 31.418 32.797 -1.379 18099 7521 1 10 . 1 1 47 47 LYS H H 24 8.598 8.598 8.355 0.243 18099 7522 1 10 . 1 1 48 48 GLN N N 25 116.324 116.324 121.123 -4.799 18099 7523 1 10 . 1 1 48 48 GLN C C 25 179.047 179.047 178.085 0.962 18099 7524 1 10 . 1 1 48 48 GLN CA C 25 58.961 58.961 58.976 -0.015 18099 7525 1 10 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.429 -1.156 18099 7526 1 10 . 1 1 48 48 GLN H H 25 8.390 8.390 8.370 0.020 18099 7527 1 10 . 1 1 49 49 GLU N N 26 119.677 119.677 119.921 -0.244 18099 7528 1 10 . 1 1 49 49 GLU C C 26 179.804 179.804 179.123 0.681 18099 7529 1 10 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.980 -0.911 18099 7530 1 10 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.427 0.898 18099 7531 1 10 . 1 1 49 49 GLU H H 26 7.644 7.644 7.920 -0.276 18099 7532 1 10 . 1 1 50 50 ILE N N 27 123.613 123.613 118.260 5.353 18099 7533 1 10 . 1 1 50 50 ILE C C 27 177.634 177.634 178.696 -1.062 18099 7534 1 10 . 1 1 50 50 ILE CA C 27 65.309 65.309 63.040 2.269 18099 7535 1 10 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.655 0.417 18099 7536 1 10 . 1 1 50 50 ILE H H 27 8.344 8.344 7.490 0.854 18099 7537 1 10 . 1 1 51 51 LEU N N 28 120.697 120.697 123.460 -2.763 18099 7538 1 10 . 1 1 51 51 LEU C C 28 180.620 180.620 178.748 1.872 18099 7539 1 10 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.358 -0.257 18099 7540 1 10 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.758 -1.012 18099 7541 1 10 . 1 1 51 51 LEU H H 28 8.046 8.046 7.678 0.368 18099 7542 1 10 . 1 1 52 52 LEU N N 29 121.426 121.426 120.017 1.409 18099 7543 1 10 . 1 1 52 52 LEU C C 29 178.968 178.968 178.408 0.560 18099 7544 1 10 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.413 0.257 18099 7545 1 10 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.321 -0.748 18099 7546 1 10 . 1 1 52 52 LEU H H 29 7.998 7.998 8.421 -0.423 18099 7547 1 10 . 1 1 53 53 ALA N N 30 122.447 122.447 121.786 0.661 18099 7548 1 10 . 1 1 53 53 ALA C C 30 179.804 179.804 179.338 0.466 18099 7549 1 10 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.514 -0.319 18099 7550 1 10 . 1 1 53 53 ALA CB C 30 18.104 18.104 17.892 0.211 18099 7551 1 10 . 1 1 53 53 ALA H H 30 8.380 8.380 8.385 -0.005 18099 7552 1 10 . 1 1 54 54 HIS N N 31 118.656 118.656 118.974 -0.318 18099 7553 1 10 . 1 1 54 54 HIS C C 31 177.475 177.475 177.487 -0.012 18099 7554 1 10 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.446 2.313 18099 7555 1 10 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.050 0.569 18099 7556 1 10 . 1 1 54 54 HIS H H 31 8.760 8.760 8.271 0.489 18099 7557 1 10 . 1 1 55 55 ARG N N 32 121.135 121.135 118.931 2.204 18099 7558 1 10 . 1 1 55 55 ARG C C 32 179.366 179.366 178.607 0.759 18099 7559 1 10 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.236 0.371 18099 7560 1 10 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.946 -0.981 18099 7561 1 10 . 1 1 55 55 ARG H H 32 7.926 7.926 7.648 0.278 18099 7562 1 10 . 1 1 56 56 ARG N N 33 118.219 118.219 118.583 -0.364 18099 7563 1 10 . 1 1 56 56 ARG C C 33 178.669 178.669 178.953 -0.284 18099 7564 1 10 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.308 -0.160 18099 7565 1 10 . 1 1 56 56 ARG CB C 33 29.158 29.158 29.877 -0.719 18099 7566 1 10 . 1 1 56 56 ARG H H 33 8.302 8.302 7.983 0.319 18099 7567 1 10 . 1 1 57 57 PHE N N 34 120.989 120.989 117.830 3.159 18099 7568 1 10 . 1 1 57 57 PHE C C 34 177.435 177.435 177.734 -0.299 18099 7569 1 10 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.472 0.749 18099 7570 1 10 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.447 1.102 18099 7571 1 10 . 1 1 57 57 PHE H H 34 8.675 8.675 8.037 0.638 18099 7572 1 10 . 1 1 58 58 CYS N N 35 114.283 114.283 118.123 -3.840 18099 7573 1 10 . 1 1 58 58 CYS C C 35 176.958 176.958 176.133 0.825 18099 7574 1 10 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.455 2.348 18099 7575 1 10 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.281 0.335 18099 7576 1 10 . 1 1 58 58 CYS H H 35 8.147 8.147 7.843 0.304 18099 7577 1 10 . 1 1 59 59 GLU N N 36 116.615 116.615 118.607 -1.992 18099 7578 1 10 . 1 1 59 59 GLU C C 36 177.276 177.276 177.722 -0.446 18099 7579 1 10 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.568 -0.682 18099 7580 1 10 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.666 -1.032 18099 7581 1 10 . 1 1 59 59 GLU H H 36 7.237 7.237 7.483 -0.246 18099 7582 1 10 . 1 1 60 60 LEU N N 37 116.615 116.615 117.690 -1.075 18099 7583 1 10 . 1 1 60 60 LEU C C 37 176.778 176.778 177.390 -0.612 18099 7584 1 10 . 1 1 60 60 LEU CA C 37 54.120 54.120 56.073 -1.953 18099 7585 1 10 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.317 -1.558 18099 7586 1 10 . 1 1 60 60 LEU H H 37 7.188 7.188 7.300 -0.112 18099 7587 1 10 . 1 1 61 61 LEU N N 38 119.531 119.531 119.325 0.206 18099 7588 1 10 . 1 1 61 61 LEU C C 38 174.848 174.848 174.291 0.557 18099 7589 1 10 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.565 0.188 18099 7590 1 10 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.742 -2.025 18099 7591 1 10 . 1 1 61 61 LEU H H 38 7.060 7.060 7.184 -0.124 18099 7592 1 10 . 1 1 63 63 GLN C C 40 177.754 177.754 178.270 -0.516 18099 7593 1 10 . 1 1 63 63 GLN CA C 40 59.266 59.266 59.063 0.203 18099 7594 1 10 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.279 -0.439 18099 7595 1 10 . 1 1 64 64 GLU N N 41 117.053 117.053 117.706 -0.653 18099 7596 1 10 . 1 1 64 64 GLU C C 41 177.276 177.276 177.868 -0.592 18099 7597 1 10 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.239 -0.031 18099 7598 1 10 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.297 -1.391 18099 7599 1 10 . 1 1 64 64 GLU H H 41 9.287 9.287 8.550 0.737 18099 7600 1 10 . 1 1 65 65 GLN N N 42 119.094 119.094 117.647 1.447 18099 7601 1 10 . 1 1 65 65 GLN C C 42 174.171 174.171 176.015 -1.844 18099 7602 1 10 . 1 1 65 65 GLN CA C 42 54.765 54.765 54.973 -0.208 18099 7603 1 10 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.393 0.876 18099 7604 1 10 . 1 1 65 65 GLN H H 42 8.006 8.006 7.749 0.257 18099 7605 1 10 . 1 1 66 66 ARG N N 43 115.157 115.157 119.314 -4.157 18099 7606 1 10 . 1 1 66 66 ARG C C 43 176.221 176.221 176.113 0.108 18099 7607 1 10 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.059 0.073 18099 7608 1 10 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.448 -1.270 18099 7609 1 10 . 1 1 66 66 ARG H H 43 7.039 7.039 7.448 -0.409 18099 7610 1 10 . 1 1 67 67 SER N N 44 114.720 114.720 115.828 -1.108 18099 7611 1 10 . 1 1 67 67 SER C C 44 175.505 175.505 175.965 -0.460 18099 7612 1 10 . 1 1 67 67 SER CA C 44 57.532 57.532 58.777 -1.245 18099 7613 1 10 . 1 1 67 67 SER CB C 44 63.911 63.911 63.772 0.139 18099 7614 1 10 . 1 1 67 67 SER H H 44 7.641 7.641 7.947 -0.306 18099 7615 1 10 . 1 1 68 68 VAL C C 45 178.271 178.271 177.602 0.669 18099 7616 1 10 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.340 1.996 18099 7617 1 10 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.934 -1.523 18099 7618 1 10 . 1 1 69 69 GLU N N 46 118.365 118.365 118.607 -0.242 18099 7619 1 10 . 1 1 69 69 GLU C C 46 179.187 179.187 177.704 1.483 18099 7620 1 10 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.043 0.672 18099 7621 1 10 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.148 -0.935 18099 7622 1 10 . 1 1 69 69 GLU H H 46 8.862 8.862 8.647 0.215 18099 7623 1 10 . 1 1 70 70 SER N N 47 114.137 114.137 113.162 0.975 18099 7624 1 10 . 1 1 70 70 SER C C 47 178.251 178.251 175.774 2.477 18099 7625 1 10 . 1 1 70 70 SER CA C 47 61.113 61.113 60.631 0.482 18099 7626 1 10 . 1 1 70 70 SER CB C 47 62.543 62.543 64.041 -1.498 18099 7627 1 10 . 1 1 70 70 SER H H 47 7.588 7.588 7.611 -0.023 18099 7628 1 10 . 1 1 71 71 SER N N 48 121.280 121.280 119.183 2.097 18099 7629 1 10 . 1 1 71 71 SER C C 48 176.102 176.102 175.831 0.271 18099 7630 1 10 . 1 1 71 71 SER CA C 48 61.544 61.544 61.046 0.498 18099 7631 1 10 . 1 1 71 71 SER CB C 48 63.348 63.348 63.265 0.083 18099 7632 1 10 . 1 1 71 71 SER H H 48 8.785 8.785 7.857 0.928 18099 7633 1 10 . 1 1 72 72 LEU N N 49 120.551 120.551 120.509 0.042 18099 7634 1 10 . 1 1 72 72 LEU C C 49 177.555 177.555 178.819 -1.264 18099 7635 1 10 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.668 -0.504 18099 7636 1 10 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.332 -2.152 18099 7637 1 10 . 1 1 72 72 LEU H H 49 7.216 7.216 8.168 -0.952 18099 7638 1 10 . 1 1 73 73 ARG N N 50 116.469 116.469 118.013 -1.544 18099 7639 1 10 . 1 1 73 73 ARG C C 50 175.942 175.942 175.804 0.138 18099 7640 1 10 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.309 -1.544 18099 7641 1 10 . 1 1 73 73 ARG CB C 50 30.681 30.681 30.872 -0.191 18099 7642 1 10 . 1 1 73 73 ARG H H 50 7.394 7.394 7.925 -0.531 18099 7643 1 10 . 1 1 74 74 ALA N N 51 123.904 123.904 121.410 2.494 18099 7644 1 10 . 1 1 74 74 ALA C C 51 176.778 176.778 175.916 0.862 18099 7645 1 10 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.131 1.160 18099 7646 1 10 . 1 1 74 74 ALA CB C 51 21.048 21.048 20.991 0.057 18099 7647 1 10 . 1 1 74 74 ALA H H 51 7.263 7.263 7.624 -0.361 18099 7648 1 10 . 1 1 75 75 GLN N N 52 118.073 118.073 119.560 -1.487 18099 7649 1 10 . 1 1 75 75 GLN C C 52 175.524 175.524 175.524 0.000 18099 7650 1 10 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.135 -1.338 18099 7651 1 10 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.295 -0.079 18099 7652 1 10 . 1 1 75 75 GLN H H 52 8.283 8.283 8.384 -0.101 18099 7653 1 10 . 1 1 76 76 VAL N N 53 124.925 124.925 121.152 3.773 18099 7654 1 10 . 1 1 76 76 VAL C C 53 173.753 173.753 173.972 -0.219 18099 7655 1 10 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.871 -0.017 18099 7656 1 10 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.459 0.563 18099 7657 1 10 . 1 1 76 76 VAL H H 53 9.093 9.093 8.343 0.750 18099 7658 1 10 . 1 1 77 77 PRO C C 54 178.132 178.132 177.255 0.877 18099 7659 1 10 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.347 -1.176 18099 7660 1 10 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.291 -0.035 18099 7661 1 10 . 1 1 78 78 PHE N N 55 120.406 120.406 122.422 -2.016 18099 7662 1 10 . 1 1 78 78 PHE C C 55 177.236 177.236 177.189 0.047 18099 7663 1 10 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.161 -4.275 18099 7664 1 10 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.542 -3.275 18099 7665 1 10 . 1 1 78 78 PHE H H 55 7.897 7.897 8.998 -1.101 18099 7666 1 10 . 1 1 79 79 GLU N N 56 117.636 117.636 118.005 -0.369 18099 7667 1 10 . 1 1 79 79 GLU C C 56 178.410 178.410 178.063 0.347 18099 7668 1 10 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.594 0.551 18099 7669 1 10 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.158 0.219 18099 7670 1 10 . 1 1 79 79 GLU H H 56 9.202 9.202 8.623 0.579 18099 7671 1 10 . 1 1 80 80 GLN N N 57 114.429 114.429 117.152 -2.723 18099 7672 1 10 . 1 1 80 80 GLN C C 57 178.012 178.012 177.989 0.023 18099 7673 1 10 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.681 -1.335 18099 7674 1 10 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.157 1.196 18099 7675 1 10 . 1 1 80 80 GLN H H 57 7.332 7.332 8.418 -1.086 18099 7676 1 10 . 1 1 81 81 ILE N N 58 120.989 120.989 117.303 3.686 18099 7677 1 10 . 1 1 81 81 ILE C C 58 177.236 177.236 178.534 -1.298 18099 7678 1 10 . 1 1 81 81 ILE CA C 58 60.791 60.791 61.879 -1.088 18099 7679 1 10 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.201 -0.909 18099 7680 1 10 . 1 1 81 81 ILE H H 58 7.375 7.375 7.729 -0.354 18099 7681 1 10 . 1 1 82 82 LEU N N 59 116.469 116.469 117.705 -1.236 18099 7682 1 10 . 1 1 82 82 LEU C C 59 176.360 176.360 176.502 -0.142 18099 7683 1 10 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.366 0.013 18099 7684 1 10 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.684 -1.009 18099 7685 1 10 . 1 1 82 82 LEU H H 59 8.144 8.144 7.326 0.818 18099 7686 1 10 . 1 1 83 83 SER N N 60 110.347 110.347 113.411 -3.064 18099 7687 1 10 . 1 1 83 83 SER C C 60 174.708 174.708 175.172 -0.464 18099 7688 1 10 . 1 1 83 83 SER CA C 60 58.316 58.316 59.000 -0.684 18099 7689 1 10 . 1 1 83 83 SER CB C 60 64.074 64.074 62.827 1.247 18099 7690 1 10 . 1 1 83 83 SER H H 60 7.038 7.038 7.357 -0.319 18099 7691 1 10 . 1 1 84 84 LEU N N 61 124.633 124.633 122.762 1.871 18099 7692 1 10 . 1 1 84 84 LEU C C 61 176.599 176.599 174.708 1.891 18099 7693 1 10 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.125 1.564 18099 7694 1 10 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.697 -3.294 18099 7695 1 10 . 1 1 84 84 LEU H H 61 7.674 7.674 7.135 0.539 18099 7696 1 10 . 1 1 85 85 PRO C C 62 178.457 178.457 178.734 -0.277 18099 7697 1 10 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.379 -0.051 18099 7698 1 10 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.916 -1.006 18099 7699 1 10 . 1 1 86 86 GLU N N 63 117.198 117.198 118.092 -0.894 18099 7700 1 10 . 1 1 86 86 GLU C C 63 176.280 176.280 179.176 -2.896 18099 7701 1 10 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.319 0.375 18099 7702 1 10 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.200 -1.476 18099 7703 1 10 . 1 1 86 86 GLU H H 63 10.005 10.005 8.816 1.189 18099 7704 1 10 . 1 1 87 87 LEU N N 64 115.595 115.595 118.696 -3.101 18099 7705 1 10 . 1 1 87 87 LEU C C 64 178.197 178.197 179.241 -1.044 18099 7706 1 10 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.232 -1.971 18099 7707 1 10 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.430 2.364 18099 7708 1 10 . 1 1 87 87 LEU H H 64 7.347 7.347 7.828 -0.481 18099 7709 1 10 . 1 1 88 88 LYS N N 65 119.677 119.677 121.245 -1.568 18099 7710 1 10 . 1 1 88 88 LYS C C 65 176.891 176.891 177.829 -0.938 18099 7711 1 10 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.898 1.059 18099 7712 1 10 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.460 -0.930 18099 7713 1 10 . 1 1 88 88 LYS H H 65 7.841 7.841 7.684 0.157 18099 7714 1 10 . 1 1 89 89 ALA C C 66 176.503 176.503 177.127 -0.624 18099 7715 1 10 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.289 -2.463 18099 7716 1 10 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.722 -0.627 18099 7717 1 10 . 1 1 90 90 ASN N N 67 123.467 123.467 117.942 5.525 18099 7718 1 10 . 1 1 90 90 ASN C C 67 175.955 175.955 174.100 1.855 18099 7719 1 10 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.447 0.483 18099 7720 1 10 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.588 1.602 18099 7721 1 10 . 1 1 90 90 ASN H H 67 7.847 7.847 7.294 0.553 18099 7722 1 10 . 1 1 91 91 PRO C C 68 176.918 176.918 175.620 1.298 18099 7723 1 10 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.945 -0.052 18099 7724 1 10 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.660 -0.308 18099 7725 1 10 . 1 1 92 92 PHE N N 69 116.178 116.178 114.471 1.707 18099 7726 1 10 . 1 1 92 92 PHE C C 69 176.977 176.977 175.987 0.990 18099 7727 1 10 . 1 1 92 92 PHE CA C 69 56.917 56.917 57.036 -0.119 18099 7728 1 10 . 1 1 92 92 PHE CB C 69 38.077 38.077 38.236 -0.159 18099 7729 1 10 . 1 1 92 92 PHE H H 69 9.006 9.006 7.868 1.138 18099 7730 1 10 . 1 1 93 93 LYS N N 70 119.385 119.385 121.206 -1.821 18099 7731 1 10 . 1 1 93 93 LYS C C 70 175.982 175.982 177.797 -1.815 18099 7732 1 10 . 1 1 93 93 LYS CA C 70 60.468 60.468 60.006 0.462 18099 7733 1 10 . 1 1 93 93 LYS CB C 70 31.026 31.026 31.995 -0.969 18099 7734 1 10 . 1 1 93 93 LYS H H 70 7.693 7.693 8.112 -0.419 18099 7735 1 10 . 1 1 94 94 GLU N N 71 120.406 120.406 120.326 0.080 18099 7736 1 10 . 1 1 94 94 GLU C C 71 179.007 179.007 179.023 -0.016 18099 7737 1 10 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.558 1.018 18099 7738 1 10 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.302 -1.220 18099 7739 1 10 . 1 1 94 94 GLU H H 71 8.549 8.549 8.637 -0.088 18099 7740 1 10 . 1 1 95 95 ARG N N 72 119.677 119.677 119.358 0.319 18099 7741 1 10 . 1 1 95 95 ARG C C 72 178.112 178.112 179.055 -0.943 18099 7742 1 10 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.172 -2.685 18099 7743 1 10 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.266 -1.559 18099 7744 1 10 . 1 1 95 95 ARG H H 72 7.495 7.495 7.553 -0.058 18099 7745 1 10 . 1 1 96 96 ILE N N 73 119.094 119.094 121.150 -2.056 18099 7746 1 10 . 1 1 96 96 ILE C C 73 177.276 177.276 177.638 -0.362 18099 7747 1 10 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.576 0.487 18099 7748 1 10 . 1 1 96 96 ILE CB C 73 37.229 37.229 38.015 -0.786 18099 7749 1 10 . 1 1 96 96 ILE H H 73 8.535 8.535 8.974 -0.439 18099 7750 1 10 . 1 1 97 97 CYS N N 74 115.157 115.157 117.304 -2.147 18099 7751 1 10 . 1 1 97 97 CYS C C 74 174.848 174.848 176.942 -2.094 18099 7752 1 10 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.233 2.861 18099 7753 1 10 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.770 -2.203 18099 7754 1 10 . 1 1 97 97 CYS H H 74 7.235 7.235 7.860 -0.625 18099 7755 1 10 . 1 1 98 98 ARG N N 75 115.886 115.886 120.954 -5.068 18099 7756 1 10 . 1 1 98 98 ARG C C 75 178.470 178.470 177.875 0.595 18099 7757 1 10 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.401 0.098 18099 7758 1 10 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.117 -0.818 18099 7759 1 10 . 1 1 98 98 ARG H H 75 7.136 7.136 7.806 -0.670 18099 7760 1 10 . 1 1 99 99 VAL N N 76 117.198 117.198 116.965 0.233 18099 7761 1 10 . 1 1 99 99 VAL C C 76 177.236 177.236 177.049 0.187 18099 7762 1 10 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.156 -0.170 18099 7763 1 10 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.888 -1.041 18099 7764 1 10 . 1 1 99 99 VAL H H 76 8.043 8.043 8.021 0.022 18099 7765 1 10 . 1 1 100 100 PHE N N 77 115.595 115.595 117.578 -1.983 18099 7766 1 10 . 1 1 100 100 PHE C C 77 175.007 175.007 175.828 -0.821 18099 7767 1 10 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.270 1.198 18099 7768 1 10 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.463 -1.677 18099 7769 1 10 . 1 1 100 100 PHE H H 77 7.436 7.436 7.707 -0.271 18099 7770 1 10 . 1 1 101 101 SER N N 78 112.533 112.533 114.045 -1.512 18099 7771 1 10 . 1 1 101 101 SER C C 78 177.156 177.156 174.003 3.153 18099 7772 1 10 . 1 1 101 101 SER CA C 78 58.639 58.639 58.719 -0.080 18099 7773 1 10 . 1 1 101 101 SER CB C 78 64.208 64.208 64.595 -0.387 18099 7774 1 10 . 1 1 101 101 SER H H 78 7.156 7.156 8.146 -0.990 18099 7775 1 10 . 1 1 102 102 THR N N 79 120.551 120.551 117.814 2.737 18099 7776 1 10 . 1 1 102 102 THR C C 79 175.763 175.763 173.743 2.020 18099 7777 1 10 . 1 1 102 102 THR CA C 79 61.328 61.328 61.098 0.230 18099 7778 1 10 . 1 1 102 102 THR CB C 79 68.647 68.647 69.564 -0.917 18099 7779 1 10 . 1 1 102 102 THR H H 79 9.267 9.267 8.358 0.909 18099 7780 1 10 . 1 1 103 103 SER N N 80 121.280 121.280 122.911 -1.631 18099 7781 1 10 . 1 1 103 103 SER C C 80 175.743 175.743 172.832 2.911 18099 7782 1 10 . 1 1 103 103 SER CA C 80 56.164 56.164 56.719 -0.555 18099 7783 1 10 . 1 1 103 103 SER CB C 80 63.221 63.221 64.432 -1.211 18099 7784 1 10 . 1 1 103 103 SER H H 80 8.120 8.120 8.405 -0.285 18099 7785 1 10 . 1 1 104 104 PRO C C 81 177.654 177.654 176.563 1.091 18099 7786 1 10 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.481 0.919 18099 7787 1 10 . 1 1 104 104 PRO CB C 81 31.382 31.382 31.905 -0.523 18099 7788 1 10 . 1 1 105 105 ALA N N 82 117.927 117.927 121.022 -3.095 18099 7789 1 10 . 1 1 105 105 ALA C C 82 177.077 177.077 176.729 0.348 18099 7790 1 10 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.631 -0.201 18099 7791 1 10 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.195 -1.172 18099 7792 1 10 . 1 1 105 105 ALA H H 82 7.961 7.961 8.178 -0.217 18099 7793 1 10 . 1 1 106 106 LYS N N 83 115.449 115.449 115.081 0.368 18099 7794 1 10 . 1 1 106 106 LYS C C 83 175.206 175.206 174.981 0.225 18099 7795 1 10 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.794 -0.953 18099 7796 1 10 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.647 -1.187 18099 7797 1 10 . 1 1 106 106 LYS H H 83 7.984 7.984 8.007 -0.023 18099 7798 1 10 . 1 1 107 107 ASP N N 84 112.242 112.242 114.397 -2.155 18099 7799 1 10 . 1 1 107 107 ASP C C 84 175.823 175.823 175.851 -0.028 18099 7800 1 10 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.234 -1.943 18099 7801 1 10 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.906 -0.310 18099 7802 1 10 . 1 1 107 107 ASP H H 84 7.670 7.670 8.118 -0.448 18099 7803 1 10 . 1 1 108 108 SER N N 85 113.554 113.554 113.135 0.419 18099 7804 1 10 . 1 1 108 108 SER C C 85 172.897 172.897 172.896 0.001 18099 7805 1 10 . 1 1 108 108 SER CA C 85 57.132 57.132 57.199 -0.067 18099 7806 1 10 . 1 1 108 108 SER CB C 85 65.347 65.347 66.130 -0.783 18099 7807 1 10 . 1 1 108 108 SER H H 85 7.271 7.271 7.393 -0.122 18099 7808 1 10 . 1 1 109 109 LEU N N 86 121.426 121.426 121.205 0.221 18099 7809 1 10 . 1 1 109 109 LEU C C 86 176.400 176.400 176.130 0.270 18099 7810 1 10 . 1 1 109 109 LEU CA C 86 54.550 54.550 54.167 0.383 18099 7811 1 10 . 1 1 109 109 LEU CB C 86 44.020 44.020 46.001 -1.980 18099 7812 1 10 . 1 1 109 109 LEU H H 86 9.179 9.179 8.075 1.104 18099 7813 1 10 . 1 1 110 110 SER N N 87 117.927 117.927 117.427 0.500 18099 7814 1 10 . 1 1 110 110 SER C C 87 174.808 174.808 175.581 -0.773 18099 7815 1 10 . 1 1 110 110 SER CA C 87 56.056 56.056 56.402 -0.346 18099 7816 1 10 . 1 1 110 110 SER CB C 87 65.644 65.644 64.548 1.096 18099 7817 1 10 . 1 1 110 110 SER H H 87 8.305 8.305 8.740 -0.435 18099 7818 1 10 . 1 1 111 111 PHE N N 88 122.592 122.592 124.338 -1.746 18099 7819 1 10 . 1 1 111 111 PHE C C 88 176.798 176.798 176.762 0.036 18099 7820 1 10 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.893 1.575 18099 7821 1 10 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.060 -0.900 18099 7822 1 10 . 1 1 111 111 PHE H H 88 9.850 9.850 8.885 0.965 18099 7823 1 10 . 1 1 112 112 GLU N N 89 117.782 117.782 120.429 -2.647 18099 7824 1 10 . 1 1 112 112 GLU C C 89 178.490 178.490 178.566 -0.076 18099 7825 1 10 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.340 0.805 18099 7826 1 10 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.547 -0.499 18099 7827 1 10 . 1 1 112 112 GLU H H 89 8.233 8.233 6.905 1.328 18099 7828 1 10 . 1 1 113 113 ASP N N 90 121.572 121.572 119.702 1.870 18099 7829 1 10 . 1 1 113 113 ASP C C 90 177.714 177.714 178.916 -1.202 18099 7830 1 10 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.073 -0.048 18099 7831 1 10 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.501 1.198 18099 7832 1 10 . 1 1 113 113 ASP H H 90 7.691 7.691 8.210 -0.519 18099 7833 1 10 . 1 1 114 114 PHE N N 91 121.135 121.135 120.477 0.658 18099 7834 1 10 . 1 1 114 114 PHE C C 91 176.460 176.460 177.325 -0.865 18099 7835 1 10 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.266 -1.228 18099 7836 1 10 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.339 -0.138 18099 7837 1 10 . 1 1 114 114 PHE H H 91 8.214 8.214 7.801 0.413 18099 7838 1 10 . 1 1 115 115 LEU N N 92 118.365 118.365 120.412 -2.047 18099 7839 1 10 . 1 1 115 115 LEU C C 92 179.187 179.187 178.331 0.856 18099 7840 1 10 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.988 -0.856 18099 7841 1 10 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.678 -1.402 18099 7842 1 10 . 1 1 115 115 LEU H H 92 8.189 8.189 7.950 0.239 18099 7843 1 10 . 1 1 116 116 ASP N N 93 120.843 120.843 119.704 1.139 18099 7844 1 10 . 1 1 116 116 ASP C C 93 177.336 177.336 178.844 -1.508 18099 7845 1 10 . 1 1 116 116 ASP CA C 93 57.240 57.240 58.121 -0.881 18099 7846 1 10 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.815 -0.951 18099 7847 1 10 . 1 1 116 116 ASP H H 93 7.640 7.640 7.828 -0.188 18099 7848 1 10 . 1 1 117 117 LEU N N 94 122.447 122.447 121.366 1.081 18099 7849 1 10 . 1 1 117 117 LEU C C 94 177.853 177.853 178.012 -0.159 18099 7850 1 10 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.695 -0.132 18099 7851 1 10 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.267 -0.597 18099 7852 1 10 . 1 1 117 117 LEU H H 94 7.480 7.480 7.377 0.103 18099 7853 1 10 . 1 1 118 118 LEU N N 95 116.907 116.907 119.513 -2.606 18099 7854 1 10 . 1 1 118 118 LEU C C 95 180.923 180.923 178.786 2.137 18099 7855 1 10 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.705 -0.465 18099 7856 1 10 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.325 -0.997 18099 7857 1 10 . 1 1 118 118 LEU H H 95 7.892 7.892 7.544 0.348 18099 7858 1 10 . 1 1 119 119 SER N N 96 116.032 116.032 114.474 1.558 18099 7859 1 10 . 1 1 119 119 SER C C 96 176.343 176.343 176.787 -0.444 18099 7860 1 10 . 1 1 119 119 SER H H 96 8.410 8.410 7.910 0.500 18099 7861 1 10 . 1 1 120 120 VAL N N 97 119.385 119.385 121.377 -1.992 18099 7862 1 10 . 1 1 120 120 VAL C C 97 176.280 176.280 177.641 -1.361 18099 7863 1 10 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.266 -1.240 18099 7864 1 10 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.598 -1.547 18099 7865 1 10 . 1 1 120 120 VAL H H 97 7.255 7.255 7.632 -0.377 18099 7866 1 10 . 1 1 121 121 PHE N N 98 116.761 116.761 116.580 0.181 18099 7867 1 10 . 1 1 121 121 PHE C C 98 176.206 176.206 176.105 0.101 18099 7868 1 10 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.175 1.022 18099 7869 1 10 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.101 -0.207 18099 7870 1 10 . 1 1 121 121 PHE H H 98 7.151 7.151 7.899 -0.748 18099 7871 1 10 . 1 1 122 122 SER N N 99 115.449 115.449 114.683 0.766 18099 7872 1 10 . 1 1 122 122 SER C C 99 177.006 177.006 174.972 2.034 18099 7873 1 10 . 1 1 122 122 SER CA C 99 58.486 58.486 60.314 -1.828 18099 7874 1 10 . 1 1 122 122 SER CB C 99 63.834 63.834 64.218 -0.384 18099 7875 1 10 . 1 1 122 122 SER H H 99 7.270 7.270 7.343 -0.073 18099 7876 1 10 . 1 1 123 123 ASP C C 100 177.042 177.042 177.234 -0.192 18099 7877 1 10 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.056 1.123 18099 7878 1 10 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.691 -2.455 18099 7879 1 10 . 1 1 124 124 THR N N 101 111.076 111.076 116.631 -5.555 18099 7880 1 10 . 1 1 124 124 THR C C 101 174.909 174.909 174.943 -0.034 18099 7881 1 10 . 1 1 124 124 THR CA C 101 62.052 62.052 64.723 -2.671 18099 7882 1 10 . 1 1 124 124 THR CB C 101 68.486 68.486 68.935 -0.449 18099 7883 1 10 . 1 1 124 124 THR H H 101 8.147 8.147 7.761 0.386 18099 7884 1 10 . 1 1 125 125 ALA N N 102 124.196 124.196 124.273 -0.077 18099 7885 1 10 . 1 1 125 125 ALA C C 102 176.760 176.760 177.120 -0.360 18099 7886 1 10 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.023 -0.520 18099 7887 1 10 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.881 0.411 18099 7888 1 10 . 1 1 125 125 ALA H H 102 6.801 6.801 7.318 -0.517 18099 7889 1 10 . 1 1 126 126 THR N N 103 111.513 111.513 117.246 -5.733 18099 7890 1 10 . 1 1 126 126 THR C C 103 173.925 173.925 174.308 -0.383 18099 7891 1 10 . 1 1 126 126 THR CA C 103 59.311 59.311 59.446 -0.135 18099 7892 1 10 . 1 1 126 126 THR CB C 103 67.581 67.581 68.705 -1.124 18099 7893 1 10 . 1 1 126 126 THR H H 103 6.254 6.254 7.787 -1.533 18099 7894 1 10 . 1 1 127 127 PRO C C 104 178.402 178.402 178.588 -0.186 18099 7895 1 10 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.418 -1.284 18099 7896 1 10 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.646 -1.097 18099 7897 1 10 . 1 1 128 128 ASP N N 105 116.469 116.469 116.040 0.429 18099 7898 1 10 . 1 1 128 128 ASP C C 105 178.059 178.059 178.453 -0.394 18099 7899 1 10 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.270 -0.402 18099 7900 1 10 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.270 -0.924 18099 7901 1 10 . 1 1 128 128 ASP H H 105 8.341 8.341 8.670 -0.329 18099 7902 1 10 . 1 1 129 129 ILE N N 106 122.738 122.738 118.948 3.790 18099 7903 1 10 . 1 1 129 129 ILE C C 106 178.111 178.111 178.198 -0.087 18099 7904 1 10 . 1 1 129 129 ILE CA C 106 63.250 63.250 61.473 1.777 18099 7905 1 10 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.645 0.103 18099 7906 1 10 . 1 1 129 129 ILE H H 106 7.443 7.443 7.521 -0.078 18099 7907 1 10 . 1 1 130 130 LYS N N 107 119.677 119.677 122.277 -2.600 18099 7908 1 10 . 1 1 130 130 LYS C C 107 178.667 178.667 178.985 -0.318 18099 7909 1 10 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.755 -0.702 18099 7910 1 10 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.532 0.529 18099 7911 1 10 . 1 1 130 130 LYS H H 107 7.599 7.599 8.757 -1.158 18099 7912 1 10 . 1 1 131 131 SER N N 108 113.117 113.117 115.218 -2.101 18099 7913 1 10 . 1 1 131 131 SER C C 108 175.513 175.513 176.805 -1.292 18099 7914 1 10 . 1 1 131 131 SER CA C 108 61.857 61.857 61.917 -0.060 18099 7915 1 10 . 1 1 131 131 SER CB C 108 63.068 63.068 62.839 0.229 18099 7916 1 10 . 1 1 131 131 SER H H 108 8.470 8.470 8.066 0.404 18099 7917 1 10 . 1 1 132 132 HIS N N 109 123.175 123.175 123.728 -0.553 18099 7918 1 10 . 1 1 132 132 HIS C C 109 178.143 178.143 177.645 0.498 18099 7919 1 10 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.594 -1.322 18099 7920 1 10 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.141 -0.261 18099 7921 1 10 . 1 1 132 132 HIS H H 109 7.991 7.991 7.779 0.212 18099 7922 1 10 . 1 1 133 133 TYR N N 110 115.595 115.595 117.900 -2.305 18099 7923 1 10 . 1 1 133 133 TYR C C 110 177.946 177.946 177.864 0.082 18099 7924 1 10 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.239 2.236 18099 7925 1 10 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.886 -0.129 18099 7926 1 10 . 1 1 133 133 TYR H H 110 8.060 8.060 8.380 -0.320 18099 7927 1 10 . 1 1 134 134 ALA N N 111 122.009 122.009 122.511 -0.502 18099 7928 1 10 . 1 1 134 134 ALA C C 111 175.937 175.937 179.162 -3.225 18099 7929 1 10 . 1 1 134 134 ALA CA C 111 55.194 55.194 55.160 0.034 18099 7930 1 10 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.994 -0.196 18099 7931 1 10 . 1 1 134 134 ALA H H 111 8.293 8.293 7.958 0.335 18099 7932 1 10 . 1 1 135 135 PHE N N 112 116.615 116.615 120.118 -3.503 18099 7933 1 10 . 1 1 135 135 PHE C C 112 175.710 175.710 177.229 -1.519 18099 7934 1 10 . 1 1 135 135 PHE CA C 112 61.706 61.706 60.916 0.790 18099 7935 1 10 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.655 -0.515 18099 7936 1 10 . 1 1 135 135 PHE H H 112 7.589 7.589 8.077 -0.488 18099 7937 1 10 . 1 1 136 136 ARG N N 113 113.262 113.262 118.483 -5.221 18099 7938 1 10 . 1 1 136 136 ARG C C 113 179.471 179.471 178.309 1.162 18099 7939 1 10 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.209 -1.013 18099 7940 1 10 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.008 -1.034 18099 7941 1 10 . 1 1 136 136 ARG H H 113 7.090 7.090 7.608 -0.518 18099 7942 1 10 . 1 1 137 137 ILE N N 114 120.843 120.843 118.625 2.218 18099 7943 1 10 . 1 1 137 137 ILE C C 114 176.198 176.198 177.446 -1.248 18099 7944 1 10 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.010 0.412 18099 7945 1 10 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.220 -2.532 18099 7946 1 10 . 1 1 137 137 ILE H H 114 7.703 7.703 8.021 -0.318 18099 7947 1 10 . 1 1 138 138 PHE N N 115 117.636 117.636 118.046 -0.410 18099 7948 1 10 . 1 1 138 138 PHE C C 115 173.157 173.157 176.313 -3.156 18099 7949 1 10 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.502 -5.032 18099 7950 1 10 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.757 -2.830 18099 7951 1 10 . 1 1 138 138 PHE H H 115 7.185 7.185 8.483 -1.298 18099 7952 1 10 . 1 1 139 139 ASP N N 116 118.365 118.365 119.002 -0.637 18099 7953 1 10 . 1 1 139 139 ASP C C 116 176.437 176.437 177.727 -1.290 18099 7954 1 10 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.366 -2.505 18099 7955 1 10 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.596 -2.582 18099 7956 1 10 . 1 1 139 139 ASP H H 116 6.856 6.856 7.395 -0.539 18099 7957 1 10 . 1 1 140 140 PHE N N 117 121.864 121.864 127.684 -5.820 18099 7958 1 10 . 1 1 140 140 PHE C C 117 176.620 176.620 175.224 1.396 18099 7959 1 10 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.120 1.290 18099 7960 1 10 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.445 -0.191 18099 7961 1 10 . 1 1 140 140 PHE H H 117 7.462 7.462 8.043 -0.581 18099 7962 1 10 . 1 1 141 141 ASP N N 118 114.866 114.866 115.462 -0.596 18099 7963 1 10 . 1 1 141 141 ASP C C 118 176.206 176.206 176.044 0.162 18099 7964 1 10 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.324 -2.790 18099 7965 1 10 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.606 -1.394 18099 7966 1 10 . 1 1 141 141 ASP H H 118 8.048 8.048 8.254 -0.206 18099 7967 1 10 . 1 1 142 142 ASP N N 119 116.761 116.761 116.296 0.465 18099 7968 1 10 . 1 1 142 142 ASP C C 119 175.386 175.386 175.964 -0.578 18099 7969 1 10 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.646 0.718 18099 7970 1 10 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.508 0.567 18099 7971 1 10 . 1 1 142 142 ASP H H 119 8.144 8.144 8.002 0.142 18099 7972 1 10 . 1 1 143 143 ASP N N 120 119.094 119.094 117.436 1.658 18099 7973 1 10 . 1 1 143 143 ASP C C 120 178.404 178.404 177.368 1.036 18099 7974 1 10 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.999 -1.066 18099 7975 1 10 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.716 -0.788 18099 7976 1 10 . 1 1 143 143 ASP H H 120 8.124 8.124 8.424 -0.300 18099 7977 1 10 . 1 1 144 144 GLY N N 121 115.303 115.303 107.922 7.381 18099 7978 1 10 . 1 1 144 144 GLY C C 121 173.571 173.571 174.268 -0.697 18099 7979 1 10 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.188 -0.016 18099 7980 1 10 . 1 1 144 144 GLY H H 121 10.971 10.971 8.911 2.060 18099 7981 1 10 . 1 1 145 145 THR N N 122 110.930 110.930 118.795 -7.865 18099 7982 1 10 . 1 1 145 145 THR C C 122 173.029 173.029 174.074 -1.045 18099 7983 1 10 . 1 1 145 145 THR CA C 122 59.944 59.944 63.223 -3.279 18099 7984 1 10 . 1 1 145 145 THR CB C 122 72.345 72.345 70.060 2.285 18099 7985 1 10 . 1 1 145 145 THR H H 122 7.728 7.728 8.201 -0.473 18099 7986 1 10 . 1 1 146 146 LEU N N 123 125.508 125.508 123.795 1.713 18099 7987 1 10 . 1 1 146 146 LEU C C 123 175.815 175.815 175.599 0.216 18099 7988 1 10 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.358 0.015 18099 7989 1 10 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.790 -5.885 18099 7990 1 10 . 1 1 146 146 LEU H H 123 9.627 9.627 8.240 1.387 18099 7991 1 10 . 1 1 147 147 ASN N N 124 123.904 123.904 120.361 3.543 18099 7992 1 10 . 1 1 147 147 ASN CA C 124 49.532 49.532 50.791 -1.259 18099 7993 1 10 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.387 -1.072 18099 7994 1 10 . 1 1 147 147 ASN H H 124 8.700 8.700 8.322 0.378 18099 7995 1 10 . 1 1 148 148 ARG C C 125 178.331 178.331 178.522 -0.191 18099 7996 1 10 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.700 0.201 18099 7997 1 10 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.022 -0.754 18099 7998 1 10 . 1 1 149 149 GLU N N 126 120.114 120.114 119.635 0.479 18099 7999 1 10 . 1 1 149 149 GLU C C 126 179.537 179.537 179.016 0.521 18099 8000 1 10 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.518 -0.227 18099 8001 1 10 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.330 -1.336 18099 8002 1 10 . 1 1 149 149 GLU H H 126 7.679 7.679 8.543 -0.864 18099 8003 1 10 . 1 1 150 150 ASP N N 127 122.009 122.009 121.009 1.000 18099 8004 1 10 . 1 1 150 150 ASP C C 127 180.544 180.544 178.689 1.855 18099 8005 1 10 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.354 0.748 18099 8006 1 10 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.327 0.251 18099 8007 1 10 . 1 1 150 150 ASP H H 127 8.242 8.242 9.142 -0.900 18099 8008 1 10 . 1 1 151 151 LEU C C 128 178.251 178.251 179.004 -0.753 18099 8009 1 10 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.814 -0.700 18099 8010 1 10 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.686 -0.538 18099 8011 1 10 . 1 1 152 152 SER N N 129 116.324 116.324 114.705 1.619 18099 8012 1 10 . 1 1 152 152 SER C C 129 176.599 176.599 177.214 -0.615 18099 8013 1 10 . 1 1 152 152 SER CA C 129 61.113 61.113 61.255 -0.143 18099 8014 1 10 . 1 1 152 152 SER CB C 129 62.531 62.531 62.415 0.116 18099 8015 1 10 . 1 1 152 152 SER H H 129 8.293 8.293 8.304 -0.011 18099 8016 1 10 . 1 1 153 153 ARG N N 130 122.155 122.155 121.810 0.345 18099 8017 1 10 . 1 1 153 153 ARG C C 130 179.087 179.087 178.395 0.692 18099 8018 1 10 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.816 0.145 18099 8019 1 10 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.216 -2.465 18099 8020 1 10 . 1 1 153 153 ARG H H 130 7.590 7.590 7.627 -0.037 18099 8021 1 10 . 1 1 154 154 LEU N N 131 122.447 122.447 121.672 0.775 18099 8022 1 10 . 1 1 154 154 LEU C C 131 178.570 178.570 178.550 0.020 18099 8023 1 10 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.252 0.602 18099 8024 1 10 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.061 -0.400 18099 8025 1 10 . 1 1 154 154 LEU H H 131 8.307 8.307 7.562 0.745 18099 8026 1 10 . 1 1 155 155 VAL N N 132 118.802 118.802 115.449 3.353 18099 8027 1 10 . 1 1 155 155 VAL C C 132 178.948 178.948 177.182 1.766 18099 8028 1 10 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.714 -0.221 18099 8029 1 10 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.705 -1.012 18099 8030 1 10 . 1 1 155 155 VAL H H 132 8.438 8.438 8.487 -0.049 18099 8031 1 10 . 1 1 156 156 ASN N N 133 119.677 119.677 119.542 0.135 18099 8032 1 10 . 1 1 156 156 ASN C C 133 177.953 177.953 177.591 0.362 18099 8033 1 10 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.750 0.199 18099 8034 1 10 . 1 1 156 156 ASN CB C 133 37.883 37.883 37.927 -0.044 18099 8035 1 10 . 1 1 156 156 ASN H H 133 8.057 8.057 7.666 0.391 18099 8036 1 10 . 1 1 157 157 CYS N N 134 118.219 118.219 119.197 -0.978 18099 8037 1 10 . 1 1 157 157 CYS C C 134 176.122 176.122 177.439 -1.317 18099 8038 1 10 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.462 -2.273 18099 8039 1 10 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.445 -0.516 18099 8040 1 10 . 1 1 157 157 CYS H H 134 7.851 7.851 8.094 -0.243 18099 8041 1 10 . 1 1 158 158 LEU N N 135 117.782 117.782 119.045 -1.263 18099 8042 1 10 . 1 1 158 158 LEU C C 135 178.231 178.231 179.269 -1.038 18099 8043 1 10 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.403 -1.238 18099 8044 1 10 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.618 -0.306 18099 8045 1 10 . 1 1 158 158 LEU H H 135 7.691 7.691 7.861 -0.170 18099 8046 1 10 . 1 1 159 159 THR N N 136 109.763 109.763 113.689 -3.926 18099 8047 1 10 . 1 1 159 159 THR C C 136 175.724 175.724 175.291 0.433 18099 8048 1 10 . 1 1 159 159 THR CA C 136 62.297 62.297 65.492 -3.195 18099 8049 1 10 . 1 1 159 159 THR CB C 136 69.800 69.800 69.237 0.562 18099 8050 1 10 . 1 1 159 159 THR H H 136 7.785 7.785 7.908 -0.123 18099 8051 1 10 . 1 1 160 160 GLY N N 137 110.638 110.638 108.441 2.197 18099 8052 1 10 . 1 1 160 160 GLY C C 137 174.231 174.231 172.398 1.833 18099 8053 1 10 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.738 0.452 18099 8054 1 10 . 1 1 160 160 GLY H H 137 7.797 7.797 7.875 -0.078 18099 8055 1 10 . 1 1 161 161 GLU N N 138 120.260 120.260 122.799 -2.539 18099 8056 1 10 . 1 1 161 161 GLU C C 138 177.043 177.043 177.828 -0.785 18099 8057 1 10 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.435 -0.948 18099 8058 1 10 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.032 -0.316 18099 8059 1 10 . 1 1 161 161 GLU H H 138 8.239 8.239 7.774 0.465 18099 8060 1 10 . 1 1 162 162 GLY N N 139 109.909 109.909 112.392 -2.483 18099 8061 1 10 . 1 1 162 162 GLY C C 139 174.400 174.400 173.210 1.190 18099 8062 1 10 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.926 0.079 18099 8063 1 10 . 1 1 162 162 GLY H H 139 8.221 8.221 8.770 -0.549 18099 8064 1 10 . 1 1 164 164 ASP C C 141 176.480 176.480 176.686 -0.206 18099 8065 1 10 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.832 -0.192 18099 8066 1 10 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.105 -0.721 18099 8067 1 10 . 1 1 165 165 THR N N 142 112.242 112.242 113.299 -1.057 18099 8068 1 10 . 1 1 165 165 THR C C 142 174.251 174.251 174.829 -0.578 18099 8069 1 10 . 1 1 165 165 THR CA C 142 61.436 61.436 62.258 -0.822 18099 8070 1 10 . 1 1 165 165 THR CB C 142 69.364 69.364 69.284 0.080 18099 8071 1 10 . 1 1 165 165 THR H H 142 7.585 7.585 7.719 -0.134 18099 8072 1 10 . 1 1 166 166 ARG N N 143 123.467 123.467 119.850 3.617 18099 8073 1 10 . 1 1 166 166 ARG C C 143 176.360 176.360 175.054 1.306 18099 8074 1 10 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.078 -1.344 18099 8075 1 10 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.555 1.378 18099 8076 1 10 . 1 1 166 166 ARG H H 143 7.833 7.833 8.533 -0.700 18099 8077 1 10 . 1 1 167 167 LEU N N 144 124.342 124.342 122.871 1.471 18099 8078 1 10 . 1 1 167 167 LEU C C 144 177.614 177.614 175.494 2.120 18099 8079 1 10 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.107 1.228 18099 8080 1 10 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.860 -3.342 18099 8081 1 10 . 1 1 167 167 LEU H H 144 8.377 8.377 8.146 0.231 18099 8082 1 10 . 1 1 168 168 SER N N 145 119.385 119.385 117.362 2.023 18099 8083 1 10 . 1 1 168 168 SER C C 145 174.748 174.748 173.483 1.265 18099 8084 1 10 . 1 1 168 168 SER CA C 145 57.132 57.132 59.529 -2.397 18099 8085 1 10 . 1 1 168 168 SER CB C 145 64.882 64.882 63.632 1.250 18099 8086 1 10 . 1 1 168 168 SER H H 145 8.935 8.935 8.544 0.391 18099 8087 1 10 . 1 1 170 170 SER C C 147 177.296 177.296 176.228 1.068 18099 8088 1 10 . 1 1 170 170 SER CA C 147 60.665 60.665 61.108 -0.443 18099 8089 1 10 . 1 1 170 170 SER CB C 147 62.108 62.108 62.412 -0.304 18099 8090 1 10 . 1 1 171 171 GLU N N 148 124.488 124.488 121.271 3.217 18099 8091 1 10 . 1 1 171 171 GLU C C 148 179.525 179.525 178.755 0.770 18099 8092 1 10 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.875 -0.236 18099 8093 1 10 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.941 0.666 18099 8094 1 10 . 1 1 171 171 GLU H H 148 7.645 7.645 8.438 -0.792 18099 8095 1 10 . 1 1 172 172 MET N N 149 120.260 120.260 119.703 0.557 18099 8096 1 10 . 1 1 172 172 MET C C 149 177.117 177.117 177.855 -0.738 18099 8097 1 10 . 1 1 172 172 MET CA C 149 58.501 58.501 56.852 1.649 18099 8098 1 10 . 1 1 172 172 MET CB C 149 31.418 31.418 32.242 -0.824 18099 8099 1 10 . 1 1 172 172 MET H H 149 8.630 8.630 8.075 0.555 18099 8100 1 10 . 1 1 173 173 LYS N N 150 119.239 119.239 120.062 -0.823 18099 8101 1 10 . 1 1 173 173 LYS C C 150 178.012 178.012 178.817 -0.805 18099 8102 1 10 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.706 -0.099 18099 8103 1 10 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.316 -0.938 18099 8104 1 10 . 1 1 173 173 LYS H H 150 7.733 7.733 8.061 -0.328 18099 8105 1 10 . 1 1 174 174 GLN N N 151 116.907 116.907 117.252 -0.345 18099 8106 1 10 . 1 1 174 174 GLN C C 151 178.172 178.172 178.592 -0.420 18099 8107 1 10 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.662 0.654 18099 8108 1 10 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.344 -0.237 18099 8109 1 10 . 1 1 174 174 GLN H H 151 7.513 7.513 7.719 -0.206 18099 8110 1 10 . 1 1 175 175 LEU N N 152 120.989 120.989 122.673 -1.684 18099 8111 1 10 . 1 1 175 175 LEU C C 152 179.226 179.226 178.629 0.597 18099 8112 1 10 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.182 -0.032 18099 8113 1 10 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.666 -0.673 18099 8114 1 10 . 1 1 175 175 LEU H H 152 7.819 7.819 7.608 0.211 18099 8115 1 10 . 1 1 176 176 ILE N N 153 119.823 119.823 118.569 1.254 18099 8116 1 10 . 1 1 176 176 ILE C C 153 177.893 177.893 178.443 -0.550 18099 8117 1 10 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.778 1.531 18099 8118 1 10 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.216 0.650 18099 8119 1 10 . 1 1 176 176 ILE H H 153 8.210 8.210 7.623 0.587 18099 8120 1 10 . 1 1 177 177 ASP N N 154 120.114 120.114 120.975 -0.861 18099 8121 1 10 . 1 1 177 177 ASP C C 154 179.605 179.605 178.966 0.639 18099 8122 1 10 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.552 -0.099 18099 8123 1 10 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.979 -1.030 18099 8124 1 10 . 1 1 177 177 ASP H H 154 8.581 8.581 7.990 0.591 18099 8125 1 10 . 1 1 178 178 ASN N N 155 120.114 120.114 118.532 1.582 18099 8126 1 10 . 1 1 178 178 ASN C C 155 177.813 177.813 177.972 -0.159 18099 8127 1 10 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.871 0.293 18099 8128 1 10 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.341 -0.273 18099 8129 1 10 . 1 1 178 178 ASN H H 155 8.150 8.150 8.185 -0.035 18099 8130 1 10 . 1 1 179 179 ILE N N 156 122.301 122.301 121.062 1.239 18099 8131 1 10 . 1 1 179 179 ILE C C 156 180.182 180.182 178.005 2.177 18099 8132 1 10 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.647 -0.445 18099 8133 1 10 . 1 1 179 179 ILE CB C 156 37.516 37.516 37.953 -0.437 18099 8134 1 10 . 1 1 179 179 ILE H H 156 8.360 8.360 7.846 0.514 18099 8135 1 10 . 1 1 180 180 LEU N N 157 121.864 121.864 120.353 1.511 18099 8136 1 10 . 1 1 180 180 LEU C C 157 178.859 178.859 179.304 -0.445 18099 8137 1 10 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.206 -0.105 18099 8138 1 10 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.579 -1.446 18099 8139 1 10 . 1 1 180 180 LEU H H 157 8.283 8.283 8.290 -0.007 18099 8140 1 10 . 1 1 181 181 GLU N N 158 120.843 120.843 119.191 1.652 18099 8141 1 10 . 1 1 181 181 GLU C C 158 179.062 179.062 179.352 -0.290 18099 8142 1 10 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.357 -0.173 18099 8143 1 10 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.639 -0.952 18099 8144 1 10 . 1 1 181 181 GLU H H 158 8.465 8.465 8.236 0.229 18099 8145 1 10 . 1 1 182 182 GLU N N 159 114.574 114.574 117.694 -3.120 18099 8146 1 10 . 1 1 182 182 GLU C C 159 178.090 178.090 177.689 0.401 18099 8147 1 10 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.360 -0.816 18099 8148 1 10 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.731 0.384 18099 8149 1 10 . 1 1 182 182 GLU H H 159 7.651 7.651 8.226 -0.575 18099 8150 1 10 . 1 1 183 183 SER N N 160 110.492 110.492 113.007 -2.515 18099 8151 1 10 . 1 1 183 183 SER C C 160 174.309 174.309 174.581 -0.272 18099 8152 1 10 . 1 1 183 183 SER CA C 160 59.252 59.252 59.873 -0.621 18099 8153 1 10 . 1 1 183 183 SER CB C 160 65.311 65.311 64.186 1.125 18099 8154 1 10 . 1 1 183 183 SER H H 160 7.670 7.670 8.050 -0.380 18099 8155 1 10 . 1 1 184 184 ASP N N 161 120.551 120.551 121.167 -0.616 18099 8156 1 10 . 1 1 184 184 ASP C C 161 177.190 177.190 176.042 1.148 18099 8157 1 10 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.387 -1.970 18099 8158 1 10 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.603 -2.648 18099 8159 1 10 . 1 1 184 184 ASP H H 161 8.437 8.437 8.054 0.383 18099 8160 1 10 . 1 1 185 185 ILE N N 162 126.820 126.820 122.183 4.637 18099 8161 1 10 . 1 1 185 185 ILE C C 162 177.878 177.878 175.959 1.919 18099 8162 1 10 . 1 1 185 185 ILE CA C 162 63.556 63.556 62.998 0.557 18099 8163 1 10 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.831 -1.732 18099 8164 1 10 . 1 1 185 185 ILE H H 162 7.588 7.588 8.306 -0.718 18099 8165 1 10 . 1 1 186 186 ASP N N 163 116.615 116.615 118.996 -2.381 18099 8166 1 10 . 1 1 186 186 ASP C C 163 176.171 176.171 176.575 -0.404 18099 8167 1 10 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.995 -1.742 18099 8168 1 10 . 1 1 186 186 ASP CB C 163 38.780 38.780 40.050 -1.270 18099 8169 1 10 . 1 1 186 186 ASP H H 163 8.247 8.247 8.208 0.039 18099 8170 1 10 . 1 1 187 187 ARG N N 164 115.303 115.303 115.670 -0.367 18099 8171 1 10 . 1 1 187 187 ARG C C 164 176.086 176.086 175.836 0.250 18099 8172 1 10 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.866 -0.328 18099 8173 1 10 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.540 -3.013 18099 8174 1 10 . 1 1 187 187 ARG H H 164 7.597 7.597 8.242 -0.645 18099 8175 1 10 . 1 1 188 188 ASP N N 165 120.551 120.551 118.705 1.846 18099 8176 1 10 . 1 1 188 188 ASP C C 165 177.731 177.731 177.694 0.037 18099 8177 1 10 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.361 -1.725 18099 8178 1 10 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.525 -0.214 18099 8179 1 10 . 1 1 188 188 ASP H H 165 8.603 8.603 7.995 0.608 18099 8180 1 10 . 1 1 189 189 GLY N N 166 114.283 114.283 106.583 7.700 18099 8181 1 10 . 1 1 189 189 GLY C C 166 173.220 173.220 173.670 -0.450 18099 8182 1 10 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.238 -0.307 18099 8183 1 10 . 1 1 189 189 GLY H H 166 10.434 10.434 8.625 1.809 18099 8184 1 10 . 1 1 190 190 THR N N 167 110.201 110.201 110.576 -0.375 18099 8185 1 10 . 1 1 190 190 THR C C 167 173.793 173.793 173.062 0.731 18099 8186 1 10 . 1 1 190 190 THR CA C 167 59.054 59.054 60.241 -1.187 18099 8187 1 10 . 1 1 190 190 THR CB C 167 72.483 72.483 72.301 0.182 18099 8188 1 10 . 1 1 190 190 THR H H 167 8.087 8.087 8.399 -0.312 18099 8189 1 10 . 1 1 191 191 ILE N N 168 124.779 124.779 122.604 2.175 18099 8190 1 10 . 1 1 191 191 ILE C C 168 175.685 175.685 174.901 0.784 18099 8191 1 10 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.273 -1.196 18099 8192 1 10 . 1 1 191 191 ILE CB C 168 38.406 38.406 41.249 -2.843 18099 8193 1 10 . 1 1 191 191 ILE H H 168 9.275 9.275 8.175 1.100 18099 8194 1 10 . 1 1 192 192 ASN N N 169 109.180 109.180 124.258 -15.078 18099 8195 1 10 . 1 1 192 192 ASN C C 169 175.095 175.095 176.232 -1.137 18099 8196 1 10 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.579 -0.627 18099 8197 1 10 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.561 -1.355 18099 8198 1 10 . 1 1 192 192 ASN H H 169 9.154 9.154 8.207 0.947 18099 8199 1 10 . 1 1 193 193 LEU N N 170 120.697 120.697 120.131 0.566 18099 8200 1 10 . 1 1 193 193 LEU C C 170 178.160 178.160 178.269 -0.109 18099 8201 1 10 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.275 0.107 18099 8202 1 10 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.334 -0.856 18099 8203 1 10 . 1 1 193 193 LEU H H 170 8.162 8.162 8.410 -0.248 18099 8204 1 10 . 1 1 194 194 SER N N 171 114.283 114.283 114.272 0.011 18099 8205 1 10 . 1 1 194 194 SER C C 171 178.124 178.124 177.159 0.965 18099 8206 1 10 . 1 1 194 194 SER CA C 171 60.901 60.901 61.395 -0.494 18099 8207 1 10 . 1 1 194 194 SER CB C 171 62.358 62.358 62.545 -0.187 18099 8208 1 10 . 1 1 194 194 SER H H 171 7.812 7.812 8.081 -0.269 18099 8209 1 10 . 1 1 195 195 GLU N N 172 124.050 124.050 121.443 2.607 18099 8210 1 10 . 1 1 195 195 GLU C C 172 179.334 179.334 178.911 0.423 18099 8211 1 10 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.860 -0.018 18099 8212 1 10 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.608 -0.824 18099 8213 1 10 . 1 1 195 195 GLU H H 172 8.540 8.540 9.199 -0.659 18099 8214 1 10 . 1 1 196 196 PHE N N 173 121.864 121.864 121.522 0.342 18099 8215 1 10 . 1 1 196 196 PHE C C 173 176.340 176.340 177.108 -0.768 18099 8216 1 10 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.361 -0.189 18099 8217 1 10 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.336 0.325 18099 8218 1 10 . 1 1 196 196 PHE H H 173 8.738 8.738 8.339 0.399 18099 8219 1 10 . 1 1 197 197 GLN N N 174 117.198 117.198 118.609 -1.411 18099 8220 1 10 . 1 1 197 197 GLN C C 174 178.868 178.868 177.762 1.106 18099 8221 1 10 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.191 -0.122 18099 8222 1 10 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.659 -1.139 18099 8223 1 10 . 1 1 197 197 GLN H H 174 8.912 8.912 8.244 0.668 18099 8224 1 10 . 1 1 198 198 HIS N N 175 120.697 120.697 118.725 1.972 18099 8225 1 10 . 1 1 198 198 HIS C C 175 177.236 177.236 178.231 -0.995 18099 8226 1 10 . 1 1 198 198 HIS CA C 175 59.715 59.715 59.531 0.184 18099 8227 1 10 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.819 -0.240 18099 8228 1 10 . 1 1 198 198 HIS H H 175 8.165 8.165 7.670 0.495 18099 8229 1 10 . 1 1 199 199 VAL N N 176 117.927 117.927 119.848 -1.921 18099 8230 1 10 . 1 1 199 199 VAL C C 176 178.749 178.749 178.366 0.383 18099 8231 1 10 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.286 -0.654 18099 8232 1 10 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.387 -0.771 18099 8233 1 10 . 1 1 199 199 VAL H H 176 7.654 7.654 8.072 -0.418 18099 8234 1 10 . 1 1 200 200 ILE N N 177 117.636 117.636 117.955 -0.319 18099 8235 1 10 . 1 1 200 200 ILE C C 177 178.331 178.331 176.129 2.202 18099 8236 1 10 . 1 1 200 200 ILE CA C 177 62.512 62.512 64.007 -1.495 18099 8237 1 10 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.000 -1.741 18099 8238 1 10 . 1 1 200 200 ILE H H 177 7.540 7.540 7.807 -0.267 18099 8239 1 10 . 1 1 201 201 SER C C 178 174.450 174.450 174.599 -0.149 18099 8240 1 10 . 1 1 201 201 SER CA C 178 60.450 60.450 57.569 2.881 18099 8241 1 10 . 1 1 201 201 SER CB C 178 62.849 62.849 62.793 0.056 18099 8242 1 10 . 1 1 202 202 ARG N N 179 118.073 118.073 121.893 -3.820 18099 8243 1 10 . 1 1 202 202 ARG C C 179 176.778 176.778 175.549 1.229 18099 8244 1 10 . 1 1 202 202 ARG CA C 179 55.196 55.196 57.173 -1.977 18099 8245 1 10 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.719 -2.428 18099 8246 1 10 . 1 1 202 202 ARG H H 179 6.975 6.975 7.273 -0.298 18099 8247 1 10 . 1 1 203 203 SER N N 180 117.927 117.927 113.632 4.295 18099 8248 1 10 . 1 1 203 203 SER CA C 180 55.949 55.949 56.023 -0.073 18099 8249 1 10 . 1 1 203 203 SER CB C 180 63.786 63.786 65.301 -1.515 18099 8250 1 10 . 1 1 203 203 SER H H 180 7.391 7.391 7.540 -0.149 18099 8251 1 10 . 1 1 206 206 PHE C C 183 176.466 176.466 177.953 -1.487 18099 8252 1 10 . 1 1 206 206 PHE CA C 183 57.576 57.576 61.199 -3.623 18099 8253 1 10 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.475 0.991 18099 8254 1 10 . 1 1 207 207 ALA N N 184 123.904 123.904 121.363 2.541 18099 8255 1 10 . 1 1 207 207 ALA CA C 184 55.030 55.030 54.991 0.039 18099 8256 1 10 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.461 -0.271 18099 8257 1 10 . 1 1 207 207 ALA H H 184 8.032 8.032 7.725 0.307 18099 8258 1 10 . 1 1 211 211 LYS C C 188 175.805 175.805 175.893 -0.088 18099 8259 1 10 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.293 -3.143 18099 8260 1 10 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.875 -1.321 18099 8261 1 10 . 1 1 212 212 ILE N N 189 122.155 122.155 117.080 5.075 18099 8262 1 10 . 1 1 212 212 ILE C C 189 175.725 175.725 174.957 0.768 18099 8263 1 10 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.623 0.918 18099 8264 1 10 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.565 -0.625 18099 8265 1 10 . 1 1 212 212 ILE H H 189 7.940 7.940 8.086 -0.146 18099 8266 1 10 . 1 1 213 213 VAL N N 190 125.945 125.945 126.038 -0.093 18099 8267 1 10 . 1 1 213 213 VAL C C 190 174.938 174.938 175.148 -0.210 18099 8268 1 10 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.736 0.134 18099 8269 1 10 . 1 1 213 213 VAL CB C 190 31.892 31.892 33.645 -1.753 18099 8270 1 10 . 1 1 213 213 VAL H H 190 8.076 8.076 8.343 -0.267 18099 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 157 2.913 0.327 2.904 18099 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 18099 3 1 1 "Average Difference" C 171 1.095 -0.094 1.094 18099 4 1 1 "Average Difference" CA 173 1.287 0.273 1.262 18099 5 1 1 "Average Difference" CB 169 1.278 0.619 1.121 18099 6 1 1 "Average Difference" HN 157 0.632 0.011 0.634 18099 7 1 2 "Average Difference" N 157 2.929 0.301 2.923 18099 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 18099 9 1 2 "Average Difference" C 171 1.092 -0.097 1.091 18099 10 1 2 "Average Difference" CA 173 1.287 0.285 1.259 18099 11 1 2 "Average Difference" CB 169 1.310 0.647 1.142 18099 12 1 2 "Average Difference" HN 157 0.617 0.004 0.619 18099 13 1 3 "Average Difference" N 157 2.909 0.330 2.899 18099 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 18099 15 1 3 "Average Difference" C 171 1.071 -0.082 1.071 18099 16 1 3 "Average Difference" CA 173 1.336 0.261 1.313 18099 17 1 3 "Average Difference" CB 169 1.303 0.656 1.130 18099 18 1 3 "Average Difference" HN 157 0.632 0.005 0.634 18099 19 1 4 "Average Difference" N 157 2.922 0.347 2.910 18099 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 18099 21 1 4 "Average Difference" C 171 1.075 -0.073 1.075 18099 22 1 4 "Average Difference" CA 173 1.305 0.283 1.278 18099 23 1 4 "Average Difference" CB 169 1.274 0.617 1.117 18099 24 1 4 "Average Difference" HN 157 0.613 -0.011 0.615 18099 25 1 5 "Average Difference" N 157 2.907 0.309 2.900 18099 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 18099 27 1 5 "Average Difference" C 171 1.045 -0.074 1.045 18099 28 1 5 "Average Difference" CA 173 1.339 0.278 1.314 18099 29 1 5 "Average Difference" CB 169 1.300 0.617 1.148 18099 30 1 5 "Average Difference" HN 157 0.613 -0.019 0.614 18099 31 1 6 "Average Difference" N 157 2.947 0.277 2.944 18099 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 18099 33 1 6 "Average Difference" C 171 1.077 -0.101 1.075 18099 34 1 6 "Average Difference" CA 173 1.348 0.310 1.315 18099 35 1 6 "Average Difference" CB 169 1.284 0.641 1.115 18099 36 1 6 "Average Difference" HN 157 0.630 0.013 0.632 18099 37 1 7 "Average Difference" N 157 2.908 0.268 2.905 18099 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 18099 39 1 7 "Average Difference" C 171 1.079 -0.119 1.076 18099 40 1 7 "Average Difference" CA 173 1.297 0.255 1.275 18099 41 1 7 "Average Difference" CB 169 1.290 0.651 1.118 18099 42 1 7 "Average Difference" HN 157 0.631 0.010 0.633 18099 43 1 8 "Average Difference" N 157 3.006 0.228 3.007 18099 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 18099 45 1 8 "Average Difference" C 171 1.084 -0.129 1.079 18099 46 1 8 "Average Difference" CA 173 1.333 0.262 1.311 18099 47 1 8 "Average Difference" CB 169 1.279 0.654 1.103 18099 48 1 8 "Average Difference" HN 157 0.649 -0.003 0.651 18099 49 1 9 "Average Difference" N 157 2.954 0.288 2.949 18099 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 18099 51 1 9 "Average Difference" C 171 1.081 -0.100 1.080 18099 52 1 9 "Average Difference" CA 173 1.334 0.273 1.310 18099 53 1 9 "Average Difference" CB 169 1.291 0.638 1.126 18099 54 1 9 "Average Difference" HN 157 0.612 -0.007 0.614 18099 55 1 10 "Average Difference" N 157 2.847 0.297 2.840 18099 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 18099 57 1 10 "Average Difference" C 171 1.077 -0.089 1.076 18099 58 1 10 "Average Difference" CA 173 1.325 0.285 1.298 18099 59 1 10 "Average Difference" CB 169 1.289 0.658 1.112 18099 60 1 10 "Average Difference" HN 157 0.601 -0.010 0.603 18099 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 18099 _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 32 32 SER N N 9 117.053 117.053 119.405 -2.352 18099 2 1 . 1 1 32 32 SER C C 9 174.637 174.637 175.402 -0.765 18099 3 1 . 1 1 32 32 SER CA C 9 57.078 57.078 57.446 -0.368 18099 4 1 . 1 1 32 32 SER CB C 9 64.513 64.513 64.978 -0.465 18099 5 1 . 1 1 32 32 SER H H 9 7.690 7.690 8.115 -0.425 18099 6 1 . 1 1 33 33 LYS C C 10 178.968 178.968 178.062 0.906 18099 7 1 . 1 1 33 33 LYS CA C 10 59.051 59.051 57.684 1.367 18099 8 1 . 1 1 33 33 LYS CB C 10 31.337 31.337 31.774 -0.437 18099 9 1 . 1 1 34 34 GLU N N 11 120.114 120.114 119.769 0.345 18099 10 1 . 1 1 34 34 GLU C C 11 178.968 178.968 178.445 0.523 18099 11 1 . 1 1 34 34 GLU CA C 11 59.607 59.607 58.644 0.963 18099 12 1 . 1 1 34 34 GLU CB C 11 27.967 27.967 28.828 -0.861 18099 13 1 . 1 1 34 34 GLU H H 11 8.720 8.720 7.741 0.979 18099 14 1 . 1 1 35 35 LEU N N 12 122.738 122.738 121.183 1.555 18099 15 1 . 1 1 35 35 LEU C C 12 178.749 178.749 178.950 -0.200 18099 16 1 . 1 1 35 35 LEU CA C 12 57.025 57.025 57.412 -0.387 18099 17 1 . 1 1 35 35 LEU CB C 12 41.114 41.114 41.684 -0.571 18099 18 1 . 1 1 35 35 LEU H H 12 7.613 7.613 7.974 -0.361 18099 19 1 . 1 1 36 36 LEU N N 13 118.510 118.510 119.298 -0.788 18099 20 1 . 1 1 36 36 LEU C C 13 178.788 178.788 177.900 0.888 18099 21 1 . 1 1 36 36 LEU CA C 13 57.670 57.670 57.783 -0.113 18099 22 1 . 1 1 36 36 LEU CB C 13 41.049 41.049 41.192 -0.143 18099 23 1 . 1 1 36 36 LEU H H 13 8.252 8.252 7.501 0.751 18099 24 1 . 1 1 37 37 ALA N N 14 119.968 119.968 120.598 -0.630 18099 25 1 . 1 1 37 37 ALA C C 14 180.023 180.023 179.545 0.478 18099 26 1 . 1 1 37 37 ALA CA C 14 54.542 54.542 54.659 -0.117 18099 27 1 . 1 1 37 37 ALA CB C 14 17.430 17.430 17.833 -0.403 18099 28 1 . 1 1 37 37 ALA H H 14 7.664 7.664 7.678 -0.014 18099 29 1 . 1 1 38 38 GLU N N 15 119.239 119.239 119.064 0.175 18099 30 1 . 1 1 38 38 GLU C C 15 179.326 179.326 178.381 0.945 18099 31 1 . 1 1 38 38 GLU CA C 15 58.639 58.639 58.730 -0.091 18099 32 1 . 1 1 38 38 GLU CB C 15 28.443 28.443 29.561 -1.118 18099 33 1 . 1 1 38 38 GLU H H 15 7.501 7.501 7.591 -0.090 18099 34 1 . 1 1 39 39 TYR N N 16 117.053 117.053 117.894 -0.841 18099 35 1 . 1 1 39 39 TYR C C 16 178.868 178.868 178.193 0.675 18099 36 1 . 1 1 39 39 TYR CA C 16 60.037 60.037 60.589 -0.552 18099 37 1 . 1 1 39 39 TYR CB C 16 37.352 37.352 38.309 -0.957 18099 38 1 . 1 1 39 39 TYR H H 16 8.156 8.156 7.354 0.802 18099 39 1 . 1 1 40 40 GLN N N 17 121.718 121.718 118.830 2.888 18099 40 1 . 1 1 40 40 GLN C C 17 176.938 176.938 177.339 -0.401 18099 41 1 . 1 1 40 40 GLN CA C 17 58.531 58.531 58.064 0.467 18099 42 1 . 1 1 40 40 GLN CB C 17 28.512 28.512 28.426 0.086 18099 43 1 . 1 1 40 40 GLN H H 17 8.287 8.287 7.676 0.611 18099 44 1 . 1 1 41 41 ASP N N 18 117.636 117.636 120.417 -2.781 18099 45 1 . 1 1 41 41 ASP C C 18 177.336 177.336 177.084 0.252 18099 46 1 . 1 1 41 41 ASP CA C 18 55.593 55.593 56.711 -1.118 18099 47 1 . 1 1 41 41 ASP CB C 18 40.563 40.563 40.918 -0.355 18099 48 1 . 1 1 41 41 ASP H H 18 7.448 7.448 7.574 -0.126 18099 49 1 . 1 1 42 42 LEU N N 19 117.782 117.782 119.387 -1.605 18099 50 1 . 1 1 42 42 LEU C C 19 176.938 176.938 176.505 0.433 18099 51 1 . 1 1 42 42 LEU CA C 19 55.538 55.538 54.569 0.969 18099 52 1 . 1 1 42 42 LEU CB C 19 42.930 42.930 42.033 0.897 18099 53 1 . 1 1 42 42 LEU H H 19 7.444 7.444 8.561 -1.117 18099 54 1 . 1 1 43 43 THR N N 20 109.763 109.763 114.752 -4.989 18099 55 1 . 1 1 43 43 THR C C 20 173.096 173.096 175.474 -2.378 18099 56 1 . 1 1 43 43 THR CA C 20 60.145 60.145 62.925 -2.780 18099 57 1 . 1 1 43 43 THR CB C 20 71.461 71.461 70.634 0.827 18099 58 1 . 1 1 43 43 THR H H 20 7.348 7.348 8.009 -0.661 18099 59 1 . 1 1 44 44 PHE N N 21 117.490 117.490 121.966 -4.476 18099 60 1 . 1 1 44 44 PHE C C 21 175.465 175.465 175.451 0.014 18099 61 1 . 1 1 44 44 PHE CA C 21 56.810 56.810 58.592 -1.782 18099 62 1 . 1 1 44 44 PHE CB C 21 37.305 37.305 39.448 -2.143 18099 63 1 . 1 1 44 44 PHE H H 21 7.686 7.686 7.885 -0.199 18099 64 1 . 1 1 45 45 LEU N N 22 120.260 120.260 120.242 0.018 18099 65 1 . 1 1 45 45 LEU C C 22 177.017 177.017 176.988 0.029 18099 66 1 . 1 1 45 45 LEU CA C 22 54.012 54.012 53.879 0.133 18099 67 1 . 1 1 45 45 LEU CB C 22 43.157 43.157 41.362 1.794 18099 68 1 . 1 1 45 45 LEU H H 22 7.350 7.350 7.719 -0.369 18099 69 1 . 1 1 46 46 THR N N 23 111.076 111.076 118.132 -7.056 18099 70 1 . 1 1 46 46 THR C C 23 176.002 176.002 174.845 1.157 18099 71 1 . 1 1 46 46 THR CA C 23 60.468 60.468 62.007 -1.539 18099 72 1 . 1 1 46 46 THR CB C 23 71.212 71.212 70.034 1.178 18099 73 1 . 1 1 46 46 THR H H 23 8.666 8.666 8.259 0.407 18099 74 1 . 1 1 47 47 LYS N N 24 120.260 120.260 118.688 1.572 18099 75 1 . 1 1 47 47 LYS C C 24 178.231 178.231 178.652 -0.421 18099 76 1 . 1 1 47 47 LYS CA C 24 60.549 60.549 57.538 3.011 18099 77 1 . 1 1 47 47 LYS CB C 24 31.418 31.418 33.468 -2.050 18099 78 1 . 1 1 47 47 LYS H H 24 8.598 8.598 8.292 0.306 18099 79 1 . 1 1 48 48 GLN N N 25 116.324 116.324 121.381 -5.057 18099 80 1 . 1 1 48 48 GLN C C 25 179.047 179.047 178.011 1.036 18099 81 1 . 1 1 48 48 GLN CA C 25 58.961 58.961 59.194 -0.233 18099 82 1 . 1 1 48 48 GLN CB C 25 27.273 27.273 28.648 -1.375 18099 83 1 . 1 1 48 48 GLN H H 25 8.390 8.390 8.516 -0.126 18099 84 1 . 1 1 49 49 GLU N N 26 119.677 119.677 120.100 -0.423 18099 85 1 . 1 1 49 49 GLU C C 26 179.804 179.804 179.427 0.377 18099 86 1 . 1 1 49 49 GLU CA C 26 59.069 59.069 59.491 -0.422 18099 87 1 . 1 1 49 49 GLU CB C 26 30.325 30.325 29.537 0.788 18099 88 1 . 1 1 49 49 GLU H H 26 7.644 7.644 7.961 -0.317 18099 89 1 . 1 1 50 50 ILE N N 27 123.613 123.613 119.067 4.546 18099 90 1 . 1 1 50 50 ILE C C 27 177.634 177.634 178.179 -0.545 18099 91 1 . 1 1 50 50 ILE CA C 27 65.309 65.309 62.803 2.506 18099 92 1 . 1 1 50 50 ILE CB C 27 37.072 37.072 36.730 0.342 18099 93 1 . 1 1 50 50 ILE H H 27 8.344 8.344 7.580 0.764 18099 94 1 . 1 1 51 51 LEU N N 28 120.697 120.697 122.702 -2.005 18099 95 1 . 1 1 51 51 LEU C C 28 180.620 180.620 178.815 1.805 18099 96 1 . 1 1 51 51 LEU CA C 28 58.101 58.101 58.195 -0.094 18099 97 1 . 1 1 51 51 LEU CB C 28 40.746 40.746 41.703 -0.957 18099 98 1 . 1 1 51 51 LEU H H 28 8.046 8.046 8.020 0.026 18099 99 1 . 1 1 52 52 LEU N N 29 121.426 121.426 120.055 1.371 18099 100 1 . 1 1 52 52 LEU C C 29 178.968 178.968 178.461 0.507 18099 101 1 . 1 1 52 52 LEU CA C 29 57.670 57.670 57.578 0.092 18099 102 1 . 1 1 52 52 LEU CB C 29 40.573 40.573 41.320 -0.748 18099 103 1 . 1 1 52 52 LEU H H 29 7.998 7.998 8.300 -0.302 18099 104 1 . 1 1 53 53 ALA N N 30 122.447 122.447 121.370 1.077 18099 105 1 . 1 1 53 53 ALA C C 30 179.804 179.804 179.360 0.444 18099 106 1 . 1 1 53 53 ALA CA C 30 55.196 55.196 55.260 -0.064 18099 107 1 . 1 1 53 53 ALA CB C 30 18.104 18.104 18.012 0.092 18099 108 1 . 1 1 53 53 ALA H H 30 8.380 8.380 8.287 0.093 18099 109 1 . 1 1 54 54 HIS N N 31 118.656 118.656 119.280 -0.624 18099 110 1 . 1 1 54 54 HIS C C 31 177.475 177.475 177.382 0.093 18099 111 1 . 1 1 54 54 HIS CA C 31 61.759 61.759 59.485 2.274 18099 112 1 . 1 1 54 54 HIS CB C 31 30.619 30.619 30.089 0.530 18099 113 1 . 1 1 54 54 HIS H H 31 8.760 8.760 8.387 0.372 18099 114 1 . 1 1 55 55 ARG N N 32 121.135 121.135 118.816 2.319 18099 115 1 . 1 1 55 55 ARG C C 32 179.366 179.366 178.556 0.810 18099 116 1 . 1 1 55 55 ARG CA C 32 59.607 59.607 59.279 0.328 18099 117 1 . 1 1 55 55 ARG CB C 32 28.965 28.965 29.958 -0.993 18099 118 1 . 1 1 55 55 ARG H H 32 7.926 7.926 7.707 0.219 18099 119 1 . 1 1 56 56 ARG N N 33 118.219 118.219 118.546 -0.327 18099 120 1 . 1 1 56 56 ARG C C 33 178.669 178.669 179.039 -0.370 18099 121 1 . 1 1 56 56 ARG CA C 33 59.148 59.148 59.276 -0.128 18099 122 1 . 1 1 56 56 ARG CB C 33 29.158 29.158 30.001 -0.843 18099 123 1 . 1 1 56 56 ARG H H 33 8.302 8.302 7.628 0.674 18099 124 1 . 1 1 57 57 PHE N N 34 120.989 120.989 117.544 3.445 18099 125 1 . 1 1 57 57 PHE C C 34 177.435 177.435 177.489 -0.054 18099 126 1 . 1 1 57 57 PHE CA C 34 61.221 61.221 60.157 1.064 18099 127 1 . 1 1 57 57 PHE CB C 34 39.549 39.549 38.462 1.087 18099 128 1 . 1 1 57 57 PHE H H 34 8.675 8.675 8.167 0.508 18099 129 1 . 1 1 58 58 CYS N N 35 114.283 114.283 118.505 -4.222 18099 130 1 . 1 1 58 58 CYS C C 35 176.958 176.958 176.633 0.325 18099 131 1 . 1 1 58 58 CYS CA C 35 63.803 63.803 61.453 2.350 18099 132 1 . 1 1 58 58 CYS CB C 35 26.616 26.616 26.582 0.034 18099 133 1 . 1 1 58 58 CYS H H 35 8.147 8.147 7.782 0.365 18099 134 1 . 1 1 59 59 GLU N N 36 116.615 116.615 119.405 -2.790 18099 135 1 . 1 1 59 59 GLU C C 36 177.276 177.276 177.668 -0.392 18099 136 1 . 1 1 59 59 GLU CA C 36 57.886 57.886 58.709 -0.823 18099 137 1 . 1 1 59 59 GLU CB C 36 28.634 28.634 29.475 -0.841 18099 138 1 . 1 1 59 59 GLU H H 36 7.237 7.237 7.543 -0.306 18099 139 1 . 1 1 60 60 LEU N N 37 116.615 116.615 117.309 -0.694 18099 140 1 . 1 1 60 60 LEU C C 37 176.778 176.778 177.331 -0.553 18099 141 1 . 1 1 60 60 LEU CA C 37 54.120 54.120 55.998 -1.878 18099 142 1 . 1 1 60 60 LEU CB C 37 40.759 40.759 42.174 -1.415 18099 143 1 . 1 1 60 60 LEU H H 37 7.188 7.188 7.365 -0.177 18099 144 1 . 1 1 61 61 LEU N N 38 119.531 119.531 119.219 0.312 18099 145 1 . 1 1 61 61 LEU C C 38 174.848 174.848 174.459 0.389 18099 146 1 . 1 1 61 61 LEU CA C 38 51.753 51.753 51.596 0.157 18099 147 1 . 1 1 61 61 LEU CB C 38 40.718 40.718 42.628 -1.910 18099 148 1 . 1 1 61 61 LEU H H 38 7.060 7.060 7.284 -0.224 18099 149 1 . 1 1 63 63 GLN C C 40 177.754 177.754 178.281 -0.527 18099 150 1 . 1 1 63 63 GLN CA C 40 59.266 59.266 59.020 0.246 18099 151 1 . 1 1 63 63 GLN CB C 40 27.840 27.840 28.283 -0.443 18099 152 1 . 1 1 64 64 GLU N N 41 117.053 117.053 117.833 -0.780 18099 153 1 . 1 1 64 64 GLU C C 41 177.276 177.276 177.902 -0.626 18099 154 1 . 1 1 64 64 GLU CA C 41 58.208 58.208 58.278 -0.070 18099 155 1 . 1 1 64 64 GLU CB C 41 27.906 27.906 29.301 -1.395 18099 156 1 . 1 1 64 64 GLU H H 41 9.287 9.287 8.552 0.735 18099 157 1 . 1 1 65 65 GLN N N 42 119.094 119.094 117.632 1.462 18099 158 1 . 1 1 65 65 GLN C C 42 174.171 174.171 176.009 -1.838 18099 159 1 . 1 1 65 65 GLN CA C 42 54.765 54.765 55.070 -0.305 18099 160 1 . 1 1 65 65 GLN CB C 42 29.269 29.269 28.399 0.870 18099 161 1 . 1 1 65 65 GLN H H 42 8.006 8.006 7.756 0.250 18099 162 1 . 1 1 66 66 ARG N N 43 115.157 115.157 119.213 -4.056 18099 163 1 . 1 1 66 66 ARG C C 43 176.221 176.221 176.184 0.037 18099 164 1 . 1 1 66 66 ARG CA C 43 57.132 57.132 57.095 0.037 18099 165 1 . 1 1 66 66 ARG CB C 43 29.178 29.178 30.402 -1.223 18099 166 1 . 1 1 66 66 ARG H H 43 7.039 7.039 7.429 -0.390 18099 167 1 . 1 1 67 67 SER N N 44 114.720 114.720 115.801 -1.081 18099 168 1 . 1 1 67 67 SER C C 44 175.505 175.505 175.960 -0.455 18099 169 1 . 1 1 67 67 SER CA C 44 57.532 57.532 58.779 -1.247 18099 170 1 . 1 1 67 67 SER CB C 44 63.911 63.911 63.749 0.162 18099 171 1 . 1 1 67 67 SER H H 44 7.641 7.641 7.940 -0.299 18099 172 1 . 1 1 68 68 VAL C C 45 178.271 178.271 177.580 0.691 18099 173 1 . 1 1 68 68 VAL CA C 45 67.336 67.336 65.347 1.989 18099 174 1 . 1 1 68 68 VAL CB C 45 30.411 30.411 31.951 -1.540 18099 175 1 . 1 1 69 69 GLU N N 46 118.365 118.365 119.065 -0.700 18099 176 1 . 1 1 69 69 GLU C C 46 179.187 179.187 177.639 1.548 18099 177 1 . 1 1 69 69 GLU CA C 46 59.715 59.715 59.041 0.674 18099 178 1 . 1 1 69 69 GLU CB C 46 28.212 28.212 29.164 -0.952 18099 179 1 . 1 1 69 69 GLU H H 46 8.862 8.862 8.673 0.189 18099 180 1 . 1 1 70 70 SER N N 47 114.137 114.137 113.465 0.672 18099 181 1 . 1 1 70 70 SER C C 47 178.251 178.251 175.764 2.487 18099 182 1 . 1 1 70 70 SER CA C 47 61.113 61.113 60.715 0.398 18099 183 1 . 1 1 70 70 SER CB C 47 62.543 62.543 64.025 -1.482 18099 184 1 . 1 1 70 70 SER H H 47 7.588 7.588 7.605 -0.017 18099 185 1 . 1 1 71 71 SER N N 48 121.280 121.280 119.293 1.987 18099 186 1 . 1 1 71 71 SER C C 48 176.102 176.102 175.764 0.338 18099 187 1 . 1 1 71 71 SER CA C 48 61.544 61.544 61.478 0.066 18099 188 1 . 1 1 71 71 SER CB C 48 63.348 63.348 63.373 -0.025 18099 189 1 . 1 1 71 71 SER H H 48 8.785 8.785 7.832 0.953 18099 190 1 . 1 1 72 72 LEU N N 49 120.551 120.551 120.298 0.253 18099 191 1 . 1 1 72 72 LEU C C 49 177.555 177.555 178.690 -1.135 18099 192 1 . 1 1 72 72 LEU CA C 49 56.164 56.164 56.449 -0.285 18099 193 1 . 1 1 72 72 LEU CB C 49 40.180 40.180 42.314 -2.134 18099 194 1 . 1 1 72 72 LEU H H 49 7.216 7.216 8.197 -0.981 18099 195 1 . 1 1 73 73 ARG N N 50 116.469 116.469 117.853 -1.384 18099 196 1 . 1 1 73 73 ARG C C 50 175.942 175.942 175.861 0.081 18099 197 1 . 1 1 73 73 ARG CA C 50 54.765 54.765 56.380 -1.615 18099 198 1 . 1 1 73 73 ARG CB C 50 30.681 30.681 31.212 -0.530 18099 199 1 . 1 1 73 73 ARG H H 50 7.394 7.394 8.040 -0.646 18099 200 1 . 1 1 74 74 ALA N N 51 123.904 123.904 121.389 2.515 18099 201 1 . 1 1 74 74 ALA C C 51 176.778 176.778 175.882 0.897 18099 202 1 . 1 1 74 74 ALA CA C 51 52.291 52.291 51.132 1.159 18099 203 1 . 1 1 74 74 ALA CB C 51 21.048 21.048 21.025 0.023 18099 204 1 . 1 1 74 74 ALA H H 51 7.263 7.263 7.627 -0.364 18099 205 1 . 1 1 75 75 GLN N N 52 118.073 118.073 119.464 -1.392 18099 206 1 . 1 1 75 75 GLN C C 52 175.524 175.524 175.511 0.013 18099 207 1 . 1 1 75 75 GLN CA C 52 53.797 53.797 55.112 -1.315 18099 208 1 . 1 1 75 75 GLN CB C 52 30.216 30.216 30.221 -0.005 18099 209 1 . 1 1 75 75 GLN H H 52 8.283 8.283 8.381 -0.098 18099 210 1 . 1 1 76 76 VAL N N 53 124.925 124.925 121.210 3.715 18099 211 1 . 1 1 76 76 VAL C C 53 173.753 173.753 173.929 -0.176 18099 212 1 . 1 1 76 76 VAL CA C 53 58.854 58.854 58.805 0.049 18099 213 1 . 1 1 76 76 VAL CB C 53 33.022 33.022 32.903 0.119 18099 214 1 . 1 1 76 76 VAL H H 53 9.093 9.093 8.177 0.916 18099 215 1 . 1 1 77 77 PRO C C 54 178.132 178.132 177.230 0.902 18099 216 1 . 1 1 77 77 PRO CA C 54 62.171 62.171 63.377 -1.206 18099 217 1 . 1 1 77 77 PRO CB C 54 32.256 32.256 32.304 -0.049 18099 218 1 . 1 1 78 78 PHE N N 55 120.406 120.406 122.192 -1.786 18099 219 1 . 1 1 78 78 PHE C C 55 177.236 177.236 177.152 0.084 18099 220 1 . 1 1 78 78 PHE CA C 55 57.886 57.886 62.054 -4.168 18099 221 1 . 1 1 78 78 PHE CB C 55 36.267 36.267 39.528 -3.262 18099 222 1 . 1 1 78 78 PHE H H 55 7.897 7.897 8.949 -1.052 18099 223 1 . 1 1 79 79 GLU N N 56 117.636 117.636 117.928 -0.292 18099 224 1 . 1 1 79 79 GLU C C 56 178.410 178.410 178.125 0.285 18099 225 1 . 1 1 79 79 GLU CA C 56 60.145 60.145 59.658 0.487 18099 226 1 . 1 1 79 79 GLU CB C 56 28.377 28.377 28.207 0.170 18099 227 1 . 1 1 79 79 GLU H H 56 9.202 9.202 8.749 0.453 18099 228 1 . 1 1 80 80 GLN N N 57 114.429 114.429 117.364 -2.935 18099 229 1 . 1 1 80 80 GLN C C 57 178.012 178.012 178.142 -0.130 18099 230 1 . 1 1 80 80 GLN CA C 57 57.347 57.347 58.597 -1.250 18099 231 1 . 1 1 80 80 GLN CB C 57 29.353 29.353 28.169 1.184 18099 232 1 . 1 1 80 80 GLN H H 57 7.332 7.332 8.470 -1.138 18099 233 1 . 1 1 81 81 ILE N N 58 120.989 120.989 117.958 3.031 18099 234 1 . 1 1 81 81 ILE C C 58 177.236 177.236 178.540 -1.304 18099 235 1 . 1 1 81 81 ILE CA C 58 60.791 60.791 61.993 -1.202 18099 236 1 . 1 1 81 81 ILE CB C 58 35.292 35.292 36.305 -1.014 18099 237 1 . 1 1 81 81 ILE H H 58 7.375 7.375 7.654 -0.279 18099 238 1 . 1 1 82 82 LEU N N 59 116.469 116.469 117.818 -1.349 18099 239 1 . 1 1 82 82 LEU C C 59 176.360 176.360 176.661 -0.301 18099 240 1 . 1 1 82 82 LEU CA C 59 56.379 56.379 56.466 -0.087 18099 241 1 . 1 1 82 82 LEU CB C 59 40.675 40.675 41.630 -0.955 18099 242 1 . 1 1 82 82 LEU H H 59 8.144 8.144 7.330 0.814 18099 243 1 . 1 1 83 83 SER N N 60 110.347 110.347 113.373 -3.026 18099 244 1 . 1 1 83 83 SER C C 60 174.708 174.708 174.869 -0.161 18099 245 1 . 1 1 83 83 SER CA C 60 58.316 58.316 59.323 -1.007 18099 246 1 . 1 1 83 83 SER CB C 60 64.074 64.074 62.838 1.236 18099 247 1 . 1 1 83 83 SER H H 60 7.038 7.038 7.380 -0.342 18099 248 1 . 1 1 84 84 LEU N N 61 124.633 124.633 122.840 1.793 18099 249 1 . 1 1 84 84 LEU C C 61 176.599 176.599 174.685 1.914 18099 250 1 . 1 1 84 84 LEU CA C 61 53.689 53.689 52.069 1.620 18099 251 1 . 1 1 84 84 LEU CB C 61 39.403 39.403 42.373 -2.970 18099 252 1 . 1 1 84 84 LEU H H 61 7.674 7.674 7.233 0.441 18099 253 1 . 1 1 85 85 PRO C C 62 178.457 178.457 178.586 -0.129 18099 254 1 . 1 1 85 85 PRO CA C 62 65.328 65.328 65.162 0.166 18099 255 1 . 1 1 85 85 PRO CB C 62 30.910 30.910 31.870 -0.960 18099 256 1 . 1 1 86 86 GLU N N 63 117.198 117.198 118.339 -1.141 18099 257 1 . 1 1 86 86 GLU C C 63 176.280 176.280 178.922 -2.642 18099 258 1 . 1 1 86 86 GLU CA C 63 59.694 59.694 59.254 0.440 18099 259 1 . 1 1 86 86 GLU CB C 63 27.724 27.724 29.176 -1.452 18099 260 1 . 1 1 86 86 GLU H H 63 10.005 10.005 8.715 1.290 18099 261 1 . 1 1 87 87 LEU N N 64 115.595 115.595 118.830 -3.235 18099 262 1 . 1 1 87 87 LEU C C 64 178.197 178.197 179.220 -1.023 18099 263 1 . 1 1 87 87 LEU CA C 64 54.261 54.261 56.275 -2.014 18099 264 1 . 1 1 87 87 LEU CB C 64 43.794 43.794 41.705 2.089 18099 265 1 . 1 1 87 87 LEU H H 64 7.347 7.347 7.883 -0.536 18099 266 1 . 1 1 88 88 LYS N N 65 119.677 119.677 121.243 -1.566 18099 267 1 . 1 1 88 88 LYS C C 65 176.891 176.891 177.834 -0.943 18099 268 1 . 1 1 88 88 LYS CA C 65 59.957 59.957 58.960 0.997 18099 269 1 . 1 1 88 88 LYS CB C 65 31.530 31.530 32.453 -0.923 18099 270 1 . 1 1 88 88 LYS H H 65 7.841 7.841 7.619 0.222 18099 271 1 . 1 1 89 89 ALA C C 66 176.503 176.503 177.191 -0.688 18099 272 1 . 1 1 89 89 ALA CA C 66 50.826 50.826 53.293 -2.467 18099 273 1 . 1 1 89 89 ALA CB C 66 18.095 18.095 18.707 -0.612 18099 274 1 . 1 1 90 90 ASN N N 67 123.467 123.467 118.005 5.462 18099 275 1 . 1 1 90 90 ASN C C 67 175.955 175.955 174.038 1.917 18099 276 1 . 1 1 90 90 ASN CA C 67 50.930 50.930 50.315 0.615 18099 277 1 . 1 1 90 90 ASN CB C 67 40.190 40.190 38.388 1.802 18099 278 1 . 1 1 90 90 ASN H H 67 7.847 7.847 7.332 0.515 18099 279 1 . 1 1 91 91 PRO C C 68 176.918 176.918 175.231 1.687 18099 280 1 . 1 1 91 91 PRO CA C 68 63.893 63.893 63.882 0.011 18099 281 1 . 1 1 91 91 PRO CB C 68 31.352 31.352 31.467 -0.115 18099 282 1 . 1 1 92 92 PHE N N 69 116.178 116.178 113.469 2.709 18099 283 1 . 1 1 92 92 PHE C C 69 176.977 176.977 175.958 1.020 18099 284 1 . 1 1 92 92 PHE CA C 69 56.917 56.917 56.544 0.373 18099 285 1 . 1 1 92 92 PHE CB C 69 38.077 38.077 37.995 0.083 18099 286 1 . 1 1 92 92 PHE H H 69 9.006 9.006 7.604 1.402 18099 287 1 . 1 1 93 93 LYS N N 70 119.385 119.385 121.745 -2.360 18099 288 1 . 1 1 93 93 LYS C C 70 175.982 175.982 177.869 -1.887 18099 289 1 . 1 1 93 93 LYS CA C 70 60.468 60.468 60.019 0.448 18099 290 1 . 1 1 93 93 LYS CB C 70 31.026 31.026 31.980 -0.954 18099 291 1 . 1 1 93 93 LYS H H 70 7.693 7.693 8.090 -0.397 18099 292 1 . 1 1 94 94 GLU N N 71 120.406 120.406 120.056 0.350 18099 293 1 . 1 1 94 94 GLU C C 71 179.007 179.007 179.078 -0.071 18099 294 1 . 1 1 94 94 GLU CA C 71 60.576 60.576 59.536 1.040 18099 295 1 . 1 1 94 94 GLU CB C 71 28.082 28.082 29.278 -1.196 18099 296 1 . 1 1 94 94 GLU H H 71 8.549 8.549 8.710 -0.161 18099 297 1 . 1 1 95 95 ARG N N 72 119.677 119.677 119.497 0.180 18099 298 1 . 1 1 95 95 ARG C C 72 178.112 178.112 178.993 -0.881 18099 299 1 . 1 1 95 95 ARG CA C 72 56.487 56.487 59.182 -2.694 18099 300 1 . 1 1 95 95 ARG CB C 72 28.707 28.707 30.289 -1.582 18099 301 1 . 1 1 95 95 ARG H H 72 7.495 7.495 7.612 -0.118 18099 302 1 . 1 1 96 96 ILE N N 73 119.094 119.094 121.091 -1.997 18099 303 1 . 1 1 96 96 ILE C C 73 177.276 177.276 177.699 -0.423 18099 304 1 . 1 1 96 96 ILE CA C 73 66.063 66.063 65.592 0.471 18099 305 1 . 1 1 96 96 ILE CB C 73 37.229 37.229 37.952 -0.723 18099 306 1 . 1 1 96 96 ILE H H 73 8.535 8.535 8.798 -0.263 18099 307 1 . 1 1 97 97 CYS N N 74 115.157 115.157 117.413 -2.256 18099 308 1 . 1 1 97 97 CYS C C 74 174.848 174.848 176.949 -2.101 18099 309 1 . 1 1 97 97 CYS CA C 74 65.094 65.094 62.463 2.631 18099 310 1 . 1 1 97 97 CYS CB C 74 24.567 24.567 26.584 -2.017 18099 311 1 . 1 1 97 97 CYS H H 74 7.235 7.235 7.878 -0.643 18099 312 1 . 1 1 98 98 ARG N N 75 115.886 115.886 121.259 -5.373 18099 313 1 . 1 1 98 98 ARG C C 75 178.470 178.470 177.992 0.478 18099 314 1 . 1 1 98 98 ARG CA C 75 59.499 59.499 59.539 -0.040 18099 315 1 . 1 1 98 98 ARG CB C 75 29.299 29.299 30.066 -0.767 18099 316 1 . 1 1 98 98 ARG H H 75 7.136 7.136 7.825 -0.689 18099 317 1 . 1 1 99 99 VAL N N 76 117.198 117.198 117.444 -0.246 18099 318 1 . 1 1 99 99 VAL C C 76 177.236 177.236 177.310 -0.074 18099 319 1 . 1 1 99 99 VAL CA C 76 64.987 64.987 65.415 -0.428 18099 320 1 . 1 1 99 99 VAL CB C 76 30.847 30.847 31.813 -0.966 18099 321 1 . 1 1 99 99 VAL H H 76 8.043 8.043 8.015 0.028 18099 322 1 . 1 1 100 100 PHE N N 77 115.595 115.595 118.067 -2.472 18099 323 1 . 1 1 100 100 PHE C C 77 175.007 175.007 175.936 -0.929 18099 324 1 . 1 1 100 100 PHE CA C 77 60.468 60.468 59.480 0.988 18099 325 1 . 1 1 100 100 PHE CB C 77 38.786 38.786 40.315 -1.529 18099 326 1 . 1 1 100 100 PHE H H 77 7.436 7.436 7.861 -0.425 18099 327 1 . 1 1 101 101 SER N N 78 112.533 112.533 113.773 -1.240 18099 328 1 . 1 1 101 101 SER C C 78 177.156 177.156 174.002 3.154 18099 329 1 . 1 1 101 101 SER CA C 78 58.639 58.639 58.557 0.082 18099 330 1 . 1 1 101 101 SER CB C 78 64.208 64.208 64.590 -0.383 18099 331 1 . 1 1 101 101 SER H H 78 7.156 7.156 8.168 -1.012 18099 332 1 . 1 1 102 102 THR N N 79 120.551 120.551 117.136 3.416 18099 333 1 . 1 1 102 102 THR C C 79 175.763 175.763 173.628 2.135 18099 334 1 . 1 1 102 102 THR CA C 79 61.328 61.328 61.082 0.246 18099 335 1 . 1 1 102 102 THR CB C 79 68.647 68.647 69.891 -1.244 18099 336 1 . 1 1 102 102 THR H H 79 9.267 9.267 8.290 0.978 18099 337 1 . 1 1 103 103 SER N N 80 121.280 121.280 122.022 -0.742 18099 338 1 . 1 1 103 103 SER C C 80 175.743 175.743 172.904 2.839 18099 339 1 . 1 1 103 103 SER CA C 80 56.164 56.164 56.368 -0.204 18099 340 1 . 1 1 103 103 SER CB C 80 63.221 63.221 64.068 -0.847 18099 341 1 . 1 1 103 103 SER H H 80 8.120 8.120 8.226 -0.106 18099 342 1 . 1 1 104 104 PRO C C 81 177.654 177.654 176.475 1.179 18099 343 1 . 1 1 104 104 PRO CA C 81 65.399 65.399 64.338 1.061 18099 344 1 . 1 1 104 104 PRO CB C 81 31.382 31.382 32.004 -0.622 18099 345 1 . 1 1 105 105 ALA N N 82 117.927 117.927 119.939 -2.012 18099 346 1 . 1 1 105 105 ALA C C 82 177.077 177.077 176.507 0.570 18099 347 1 . 1 1 105 105 ALA CA C 82 51.430 51.430 51.366 0.064 18099 348 1 . 1 1 105 105 ALA CB C 82 18.023 18.023 19.550 -1.527 18099 349 1 . 1 1 105 105 ALA H H 82 7.961 7.961 8.107 -0.146 18099 350 1 . 1 1 106 106 LYS N N 83 115.449 115.449 114.882 0.567 18099 351 1 . 1 1 106 106 LYS C C 83 175.206 175.206 175.047 0.159 18099 352 1 . 1 1 106 106 LYS CA C 83 55.841 55.841 56.785 -0.944 18099 353 1 . 1 1 106 106 LYS CB C 83 29.460 29.460 30.713 -1.253 18099 354 1 . 1 1 106 106 LYS H H 83 7.984 7.984 8.032 -0.048 18099 355 1 . 1 1 107 107 ASP N N 84 112.242 112.242 114.256 -2.014 18099 356 1 . 1 1 107 107 ASP C C 84 175.823 175.823 175.809 0.014 18099 357 1 . 1 1 107 107 ASP CA C 84 52.291 52.291 54.187 -1.896 18099 358 1 . 1 1 107 107 ASP CB C 84 40.596 40.596 40.931 -0.335 18099 359 1 . 1 1 107 107 ASP H H 84 7.670 7.670 8.188 -0.518 18099 360 1 . 1 1 108 108 SER N N 85 113.554 113.554 113.077 0.477 18099 361 1 . 1 1 108 108 SER C C 85 172.897 172.897 172.969 -0.072 18099 362 1 . 1 1 108 108 SER CA C 85 57.132 57.132 57.142 -0.010 18099 363 1 . 1 1 108 108 SER CB C 85 65.347 65.347 66.181 -0.834 18099 364 1 . 1 1 108 108 SER H H 85 7.271 7.271 7.413 -0.142 18099 365 1 . 1 1 109 109 LEU N N 86 121.426 121.426 120.730 0.696 18099 366 1 . 1 1 109 109 LEU C C 86 176.400 176.400 175.985 0.415 18099 367 1 . 1 1 109 109 LEU CA C 86 54.550 54.550 53.995 0.555 18099 368 1 . 1 1 109 109 LEU CB C 86 44.020 44.020 45.642 -1.622 18099 369 1 . 1 1 109 109 LEU H H 86 9.179 9.179 8.059 1.120 18099 370 1 . 1 1 110 110 SER N N 87 117.927 117.927 116.767 1.160 18099 371 1 . 1 1 110 110 SER C C 87 174.808 174.808 175.222 -0.414 18099 372 1 . 1 1 110 110 SER CA C 87 56.056 56.056 56.416 -0.360 18099 373 1 . 1 1 110 110 SER CB C 87 65.644 65.644 64.690 0.954 18099 374 1 . 1 1 110 110 SER H H 87 8.305 8.305 8.729 -0.424 18099 375 1 . 1 1 111 111 PHE N N 88 122.592 122.592 124.412 -1.820 18099 376 1 . 1 1 111 111 PHE C C 88 176.798 176.798 176.613 0.185 18099 377 1 . 1 1 111 111 PHE CA C 88 60.468 60.468 58.647 1.821 18099 378 1 . 1 1 111 111 PHE CB C 88 37.160 37.160 38.078 -0.918 18099 379 1 . 1 1 111 111 PHE H H 88 9.850 9.850 8.900 0.950 18099 380 1 . 1 1 112 112 GLU N N 89 117.782 117.782 120.963 -3.181 18099 381 1 . 1 1 112 112 GLU C C 89 178.490 178.490 178.425 0.065 18099 382 1 . 1 1 112 112 GLU CA C 89 60.145 60.145 59.238 0.908 18099 383 1 . 1 1 112 112 GLU CB C 89 28.048 28.048 28.659 -0.611 18099 384 1 . 1 1 112 112 GLU H H 89 8.233 8.233 6.959 1.274 18099 385 1 . 1 1 113 113 ASP N N 90 121.572 121.572 119.684 1.888 18099 386 1 . 1 1 113 113 ASP C C 90 177.714 177.714 178.808 -1.094 18099 387 1 . 1 1 113 113 ASP CA C 90 57.025 57.025 57.171 -0.146 18099 388 1 . 1 1 113 113 ASP CB C 90 41.699 41.699 40.500 1.199 18099 389 1 . 1 1 113 113 ASP H H 90 7.691 7.691 8.206 -0.515 18099 390 1 . 1 1 114 114 PHE N N 91 121.135 121.135 120.539 0.596 18099 391 1 . 1 1 114 114 PHE C C 91 176.460 176.460 177.229 -0.769 18099 392 1 . 1 1 114 114 PHE CA C 91 60.037 60.037 61.441 -1.404 18099 393 1 . 1 1 114 114 PHE CB C 91 39.201 39.201 39.257 -0.056 18099 394 1 . 1 1 114 114 PHE H H 91 8.214 8.214 7.881 0.333 18099 395 1 . 1 1 115 115 LEU N N 92 118.365 118.365 120.025 -1.660 18099 396 1 . 1 1 115 115 LEU C C 92 179.187 179.187 178.291 0.896 18099 397 1 . 1 1 115 115 LEU CA C 92 57.132 57.132 57.888 -0.756 18099 398 1 . 1 1 115 115 LEU CB C 92 40.276 40.276 41.696 -1.420 18099 399 1 . 1 1 115 115 LEU H H 92 8.189 8.189 7.920 0.269 18099 400 1 . 1 1 116 116 ASP N N 93 120.843 120.843 119.933 0.910 18099 401 1 . 1 1 116 116 ASP C C 93 177.336 177.336 178.840 -1.504 18099 402 1 . 1 1 116 116 ASP CA C 93 57.240 57.240 57.864 -0.624 18099 403 1 . 1 1 116 116 ASP CB C 93 39.864 39.864 40.768 -0.904 18099 404 1 . 1 1 116 116 ASP H H 93 7.640 7.640 8.017 -0.377 18099 405 1 . 1 1 117 117 LEU N N 94 122.447 122.447 121.364 1.083 18099 406 1 . 1 1 117 117 LEU C C 94 177.853 177.853 178.078 -0.225 18099 407 1 . 1 1 117 117 LEU CA C 94 57.563 57.563 57.693 -0.130 18099 408 1 . 1 1 117 117 LEU CB C 94 40.670 40.670 41.277 -0.608 18099 409 1 . 1 1 117 117 LEU H H 94 7.480 7.480 7.640 -0.160 18099 410 1 . 1 1 118 118 LEU N N 95 116.907 116.907 119.586 -2.679 18099 411 1 . 1 1 118 118 LEU C C 95 180.923 180.923 178.768 2.155 18099 412 1 . 1 1 118 118 LEU CA C 95 57.240 57.240 57.778 -0.538 18099 413 1 . 1 1 118 118 LEU CB C 95 40.328 40.328 41.300 -0.972 18099 414 1 . 1 1 118 118 LEU H H 95 7.892 7.892 7.493 0.399 18099 415 1 . 1 1 119 119 SER N N 96 116.032 116.032 114.501 1.531 18099 416 1 . 1 1 119 119 SER C C 96 176.343 176.343 176.919 -0.576 18099 417 1 . 1 1 119 119 SER H H 96 8.410 8.410 7.828 0.582 18099 418 1 . 1 1 120 120 VAL N N 97 119.385 119.385 121.506 -2.121 18099 419 1 . 1 1 120 120 VAL C C 97 176.280 176.280 177.571 -1.291 18099 420 1 . 1 1 120 120 VAL CA C 97 65.026 65.026 66.216 -1.190 18099 421 1 . 1 1 120 120 VAL CB C 97 30.051 30.051 31.686 -1.635 18099 422 1 . 1 1 120 120 VAL H H 97 7.255 7.255 7.934 -0.679 18099 423 1 . 1 1 121 121 PHE N N 98 116.761 116.761 117.287 -0.526 18099 424 1 . 1 1 121 121 PHE C C 98 176.206 176.206 176.116 0.090 18099 425 1 . 1 1 121 121 PHE CA C 98 60.197 60.197 59.196 1.001 18099 426 1 . 1 1 121 121 PHE CB C 98 38.894 38.894 39.119 -0.225 18099 427 1 . 1 1 121 121 PHE H H 98 7.151 7.151 8.115 -0.964 18099 428 1 . 1 1 122 122 SER N N 99 115.449 115.449 114.869 0.580 18099 429 1 . 1 1 122 122 SER C C 99 177.006 177.006 175.124 1.882 18099 430 1 . 1 1 122 122 SER CA C 99 58.486 58.486 60.412 -1.926 18099 431 1 . 1 1 122 122 SER CB C 99 63.834 63.834 64.211 -0.377 18099 432 1 . 1 1 122 122 SER H H 99 7.270 7.270 7.620 -0.350 18099 433 1 . 1 1 123 123 ASP C C 100 177.042 177.042 177.344 -0.302 18099 434 1 . 1 1 123 123 ASP CA C 100 56.179 56.179 55.173 1.006 18099 435 1 . 1 1 123 123 ASP CB C 100 40.236 40.236 42.622 -2.386 18099 436 1 . 1 1 124 124 THR N N 101 111.076 111.076 116.447 -5.371 18099 437 1 . 1 1 124 124 THR C C 101 174.909 174.909 175.034 -0.125 18099 438 1 . 1 1 124 124 THR CA C 101 62.052 62.052 64.643 -2.591 18099 439 1 . 1 1 124 124 THR CB C 101 68.486 68.486 68.958 -0.472 18099 440 1 . 1 1 124 124 THR H H 101 8.147 8.147 7.836 0.311 18099 441 1 . 1 1 125 125 ALA N N 102 124.196 124.196 124.777 -0.581 18099 442 1 . 1 1 125 125 ALA C C 102 176.760 176.760 176.780 -0.020 18099 443 1 . 1 1 125 125 ALA CA C 102 51.503 51.503 52.047 -0.544 18099 444 1 . 1 1 125 125 ALA CB C 102 18.292 18.292 17.847 0.445 18099 445 1 . 1 1 125 125 ALA H H 102 6.801 6.801 7.375 -0.574 18099 446 1 . 1 1 126 126 THR N N 103 111.513 111.513 116.928 -5.415 18099 447 1 . 1 1 126 126 THR C C 103 173.925 173.925 174.331 -0.406 18099 448 1 . 1 1 126 126 THR CA C 103 59.311 59.311 59.319 -0.008 18099 449 1 . 1 1 126 126 THR CB C 103 67.581 67.581 68.812 -1.232 18099 450 1 . 1 1 126 126 THR H H 103 6.254 6.254 7.657 -1.403 18099 451 1 . 1 1 127 127 PRO C C 104 178.402 178.402 178.570 -0.168 18099 452 1 . 1 1 127 127 PRO CA C 104 65.134 65.134 66.439 -1.304 18099 453 1 . 1 1 127 127 PRO CB C 104 30.549 30.549 31.637 -1.088 18099 454 1 . 1 1 128 128 ASP N N 105 116.469 116.469 116.177 0.291 18099 455 1 . 1 1 128 128 ASP C C 105 178.059 178.059 178.535 -0.476 18099 456 1 . 1 1 128 128 ASP CA C 105 56.868 56.868 57.118 -0.250 18099 457 1 . 1 1 128 128 ASP CB C 105 39.346 39.346 40.288 -0.942 18099 458 1 . 1 1 128 128 ASP H H 105 8.341 8.341 8.636 -0.295 18099 459 1 . 1 1 129 129 ILE N N 106 122.738 122.738 119.460 3.278 18099 460 1 . 1 1 129 129 ILE C C 106 178.111 178.111 178.168 -0.057 18099 461 1 . 1 1 129 129 ILE CA C 106 63.250 63.250 62.259 0.991 18099 462 1 . 1 1 129 129 ILE CB C 106 36.749 36.749 36.681 0.068 18099 463 1 . 1 1 129 129 ILE H H 106 7.443 7.443 7.600 -0.157 18099 464 1 . 1 1 130 130 LYS N N 107 119.677 119.677 121.425 -1.748 18099 465 1 . 1 1 130 130 LYS C C 107 178.667 178.667 178.993 -0.326 18099 466 1 . 1 1 130 130 LYS CA C 107 60.053 60.053 60.609 -0.556 18099 467 1 . 1 1 130 130 LYS CB C 107 33.061 33.061 32.526 0.535 18099 468 1 . 1 1 130 130 LYS H H 107 7.599 7.599 8.780 -1.181 18099 469 1 . 1 1 131 131 SER N N 108 113.117 113.117 115.282 -2.165 18099 470 1 . 1 1 131 131 SER C C 108 175.513 175.513 176.804 -1.291 18099 471 1 . 1 1 131 131 SER CA C 108 61.857 61.857 61.946 -0.089 18099 472 1 . 1 1 131 131 SER CB C 108 63.068 63.068 62.497 0.571 18099 473 1 . 1 1 131 131 SER H H 108 8.470 8.470 8.106 0.364 18099 474 1 . 1 1 132 132 HIS N N 109 123.175 123.175 123.561 -0.386 18099 475 1 . 1 1 132 132 HIS C C 109 178.143 178.143 177.688 0.455 18099 476 1 . 1 1 132 132 HIS CA C 109 59.272 59.272 60.402 -1.130 18099 477 1 . 1 1 132 132 HIS CB C 109 29.880 29.880 30.089 -0.209 18099 478 1 . 1 1 132 132 HIS H H 109 7.991 7.991 7.776 0.215 18099 479 1 . 1 1 133 133 TYR N N 110 115.595 115.595 118.007 -2.412 18099 480 1 . 1 1 133 133 TYR C C 110 177.946 177.946 177.857 0.089 18099 481 1 . 1 1 133 133 TYR CA C 110 63.475 63.475 61.173 2.302 18099 482 1 . 1 1 133 133 TYR CB C 110 37.757 37.757 37.848 -0.091 18099 483 1 . 1 1 133 133 TYR H H 110 8.060 8.060 8.589 -0.529 18099 484 1 . 1 1 134 134 ALA N N 111 122.009 122.009 122.574 -0.565 18099 485 1 . 1 1 134 134 ALA C C 111 175.937 175.937 179.098 -3.161 18099 486 1 . 1 1 134 134 ALA CA C 111 55.194 55.194 54.991 0.203 18099 487 1 . 1 1 134 134 ALA CB C 111 17.798 17.798 17.882 -0.084 18099 488 1 . 1 1 134 134 ALA H H 111 8.293 8.293 8.331 -0.038 18099 489 1 . 1 1 135 135 PHE N N 112 116.615 116.615 119.977 -3.362 18099 490 1 . 1 1 135 135 PHE C C 112 175.710 175.710 177.337 -1.627 18099 491 1 . 1 1 135 135 PHE CA C 112 61.706 61.706 60.981 0.725 18099 492 1 . 1 1 135 135 PHE CB C 112 38.140 38.140 38.694 -0.554 18099 493 1 . 1 1 135 135 PHE H H 112 7.589 7.589 8.048 -0.459 18099 494 1 . 1 1 136 136 ARG N N 113 113.262 113.262 118.664 -5.402 18099 495 1 . 1 1 136 136 ARG C C 113 179.471 179.471 178.362 1.109 18099 496 1 . 1 1 136 136 ARG CA C 113 58.196 58.196 59.184 -0.988 18099 497 1 . 1 1 136 136 ARG CB C 113 28.974 28.974 30.181 -1.207 18099 498 1 . 1 1 136 136 ARG H H 113 7.090 7.090 7.511 -0.421 18099 499 1 . 1 1 137 137 ILE N N 114 120.843 120.843 119.016 1.827 18099 500 1 . 1 1 137 137 ILE C C 114 176.198 176.198 177.603 -1.405 18099 501 1 . 1 1 137 137 ILE CA C 114 64.422 64.422 64.347 0.075 18099 502 1 . 1 1 137 137 ILE CB C 114 35.688 35.688 38.197 -2.509 18099 503 1 . 1 1 137 137 ILE H H 114 7.703 7.703 7.974 -0.271 18099 504 1 . 1 1 138 138 PHE N N 115 117.636 117.636 117.363 0.273 18099 505 1 . 1 1 138 138 PHE C C 115 173.157 173.157 176.206 -3.048 18099 506 1 . 1 1 138 138 PHE CA C 115 54.471 54.471 59.405 -4.934 18099 507 1 . 1 1 138 138 PHE CB C 115 35.927 35.927 38.751 -2.824 18099 508 1 . 1 1 138 138 PHE H H 115 7.185 7.185 8.507 -1.322 18099 509 1 . 1 1 139 139 ASP N N 116 118.365 118.365 119.197 -0.832 18099 510 1 . 1 1 139 139 ASP C C 116 176.437 176.437 177.777 -1.340 18099 511 1 . 1 1 139 139 ASP CA C 116 50.861 50.861 53.641 -2.780 18099 512 1 . 1 1 139 139 ASP CB C 116 37.014 37.014 39.810 -2.796 18099 513 1 . 1 1 139 139 ASP H H 116 6.856 6.856 7.387 -0.531 18099 514 1 . 1 1 140 140 PHE N N 117 121.864 121.864 127.998 -6.134 18099 515 1 . 1 1 140 140 PHE C C 117 176.620 176.620 175.376 1.244 18099 516 1 . 1 1 140 140 PHE CA C 117 62.410 62.410 61.115 1.294 18099 517 1 . 1 1 140 140 PHE CB C 117 39.254 39.254 39.377 -0.123 18099 518 1 . 1 1 140 140 PHE H H 117 7.462 7.462 8.115 -0.653 18099 519 1 . 1 1 141 141 ASP N N 118 114.866 114.866 115.593 -0.727 18099 520 1 . 1 1 141 141 ASP C C 118 176.206 176.206 175.947 0.260 18099 521 1 . 1 1 141 141 ASP CA C 118 52.534 52.534 55.340 -2.806 18099 522 1 . 1 1 141 141 ASP CB C 118 39.212 39.212 40.475 -1.263 18099 523 1 . 1 1 141 141 ASP H H 118 8.048 8.048 8.228 -0.180 18099 524 1 . 1 1 142 142 ASP N N 119 116.761 116.761 116.279 0.482 18099 525 1 . 1 1 142 142 ASP C C 119 175.386 175.386 175.966 -0.580 18099 526 1 . 1 1 142 142 ASP CA C 119 56.364 56.364 55.649 0.715 18099 527 1 . 1 1 142 142 ASP CB C 119 40.075 40.075 39.455 0.620 18099 528 1 . 1 1 142 142 ASP H H 119 8.144 8.144 7.924 0.220 18099 529 1 . 1 1 143 143 ASP N N 120 119.094 119.094 117.361 1.733 18099 530 1 . 1 1 143 143 ASP C C 120 178.404 178.404 177.316 1.088 18099 531 1 . 1 1 143 143 ASP CA C 120 53.933 53.933 54.936 -1.003 18099 532 1 . 1 1 143 143 ASP CB C 120 40.928 40.928 41.670 -0.742 18099 533 1 . 1 1 143 143 ASP H H 120 8.124 8.124 8.344 -0.220 18099 534 1 . 1 1 144 144 GLY N N 121 115.303 115.303 107.834 7.469 18099 535 1 . 1 1 144 144 GLY C C 121 173.571 173.571 174.243 -0.672 18099 536 1 . 1 1 144 144 GLY CA C 121 45.172 45.172 45.115 0.057 18099 537 1 . 1 1 144 144 GLY H H 121 10.971 10.971 8.708 2.263 18099 538 1 . 1 1 145 145 THR N N 122 110.930 110.930 118.351 -7.421 18099 539 1 . 1 1 145 145 THR C C 122 173.029 173.029 174.050 -1.021 18099 540 1 . 1 1 145 145 THR CA C 122 59.944 59.944 63.037 -3.093 18099 541 1 . 1 1 145 145 THR CB C 122 72.345 72.345 70.171 2.174 18099 542 1 . 1 1 145 145 THR H H 122 7.728 7.728 8.033 -0.305 18099 543 1 . 1 1 146 146 LEU N N 123 125.508 125.508 123.368 2.140 18099 544 1 . 1 1 146 146 LEU C C 123 175.815 175.815 175.553 0.262 18099 545 1 . 1 1 146 146 LEU CA C 123 53.373 53.373 53.353 0.020 18099 546 1 . 1 1 146 146 LEU CB C 123 39.905 39.905 45.290 -5.384 18099 547 1 . 1 1 146 146 LEU H H 123 9.627 9.627 8.187 1.440 18099 548 1 . 1 1 147 147 ASN N N 124 123.904 123.904 120.248 3.656 18099 549 1 . 1 1 147 147 ASN CA C 124 49.532 49.532 51.085 -1.553 18099 550 1 . 1 1 147 147 ASN CB C 124 39.315 39.315 40.370 -1.055 18099 551 1 . 1 1 147 147 ASN H H 124 8.700 8.700 8.416 0.284 18099 552 1 . 1 1 148 148 ARG C C 125 178.331 178.331 178.432 -0.102 18099 553 1 . 1 1 148 148 ARG CA C 125 60.901 60.901 60.558 0.343 18099 554 1 . 1 1 148 148 ARG CB C 125 29.268 29.268 30.014 -0.746 18099 555 1 . 1 1 149 149 GLU N N 126 120.114 120.114 119.436 0.678 18099 556 1 . 1 1 149 149 GLU C C 126 179.537 179.537 179.148 0.389 18099 557 1 . 1 1 149 149 GLU CA C 126 59.291 59.291 59.384 -0.093 18099 558 1 . 1 1 149 149 GLU CB C 126 27.994 27.994 29.349 -1.356 18099 559 1 . 1 1 149 149 GLU H H 126 7.679 7.679 8.542 -0.863 18099 560 1 . 1 1 150 150 ASP N N 127 122.009 122.009 120.979 1.030 18099 561 1 . 1 1 150 150 ASP C C 127 180.544 180.544 178.560 1.984 18099 562 1 . 1 1 150 150 ASP CA C 127 58.102 58.102 57.279 0.823 18099 563 1 . 1 1 150 150 ASP CB C 127 40.578 40.578 40.304 0.274 18099 564 1 . 1 1 150 150 ASP H H 127 8.242 8.242 8.853 -0.611 18099 565 1 . 1 1 151 151 LEU C C 128 178.251 178.251 178.916 -0.665 18099 566 1 . 1 1 151 151 LEU CA C 128 57.114 57.114 57.920 -0.806 18099 567 1 . 1 1 151 151 LEU CB C 128 41.148 41.148 41.687 -0.539 18099 568 1 . 1 1 152 152 SER N N 129 116.324 116.324 114.062 2.262 18099 569 1 . 1 1 152 152 SER C C 129 176.599 176.599 177.007 -0.408 18099 570 1 . 1 1 152 152 SER CA C 129 61.113 61.113 61.291 -0.179 18099 571 1 . 1 1 152 152 SER CB C 129 62.531 62.531 62.496 0.035 18099 572 1 . 1 1 152 152 SER H H 129 8.293 8.293 8.131 0.162 18099 573 1 . 1 1 153 153 ARG N N 130 122.155 122.155 121.635 0.520 18099 574 1 . 1 1 153 153 ARG C C 130 179.087 179.087 178.317 0.770 18099 575 1 . 1 1 153 153 ARG CA C 130 58.961 58.961 58.707 0.254 18099 576 1 . 1 1 153 153 ARG CB C 130 27.751 27.751 30.238 -2.487 18099 577 1 . 1 1 153 153 ARG H H 130 7.590 7.590 7.501 0.089 18099 578 1 . 1 1 154 154 LEU N N 131 122.447 122.447 121.638 0.809 18099 579 1 . 1 1 154 154 LEU C C 131 178.570 178.570 178.563 0.007 18099 580 1 . 1 1 154 154 LEU CA C 131 58.854 58.854 58.202 0.652 18099 581 1 . 1 1 154 154 LEU CB C 131 41.661 41.661 42.100 -0.439 18099 582 1 . 1 1 154 154 LEU H H 131 8.307 8.307 7.707 0.600 18099 583 1 . 1 1 155 155 VAL N N 132 118.802 118.802 115.059 3.743 18099 584 1 . 1 1 155 155 VAL C C 132 178.948 178.948 177.127 1.821 18099 585 1 . 1 1 155 155 VAL CA C 132 66.493 66.493 66.529 -0.036 18099 586 1 . 1 1 155 155 VAL CB C 132 30.693 30.693 31.695 -1.002 18099 587 1 . 1 1 155 155 VAL H H 132 8.438 8.438 8.462 -0.024 18099 588 1 . 1 1 156 156 ASN N N 133 119.677 119.677 119.422 0.255 18099 589 1 . 1 1 156 156 ASN C C 133 177.953 177.953 177.586 0.367 18099 590 1 . 1 1 156 156 ASN CA C 133 55.949 55.949 55.816 0.133 18099 591 1 . 1 1 156 156 ASN CB C 133 37.883 37.883 38.008 -0.124 18099 592 1 . 1 1 156 156 ASN H H 133 8.057 8.057 7.676 0.381 18099 593 1 . 1 1 157 157 CYS N N 134 118.219 118.219 119.114 -0.895 18099 594 1 . 1 1 157 157 CYS C C 134 176.122 176.122 177.432 -1.310 18099 595 1 . 1 1 157 157 CYS CA C 134 62.189 62.189 64.043 -1.854 18099 596 1 . 1 1 157 157 CYS CB C 134 26.929 26.929 27.503 -0.574 18099 597 1 . 1 1 157 157 CYS H H 134 7.851 7.851 8.021 -0.170 18099 598 1 . 1 1 158 158 LEU N N 135 117.782 117.782 118.856 -1.074 18099 599 1 . 1 1 158 158 LEU C C 135 178.231 178.231 179.145 -0.914 18099 600 1 . 1 1 158 158 LEU CA C 135 56.164 56.164 57.335 -1.170 18099 601 1 . 1 1 158 158 LEU CB C 135 41.312 41.312 41.659 -0.347 18099 602 1 . 1 1 158 158 LEU H H 135 7.691 7.691 7.795 -0.104 18099 603 1 . 1 1 159 159 THR N N 136 109.763 109.763 113.739 -3.976 18099 604 1 . 1 1 159 159 THR C C 136 175.724 175.724 175.285 0.439 18099 605 1 . 1 1 159 159 THR CA C 136 62.297 62.297 65.481 -3.184 18099 606 1 . 1 1 159 159 THR CB C 136 69.800 69.800 69.238 0.562 18099 607 1 . 1 1 159 159 THR H H 136 7.785 7.785 7.869 -0.084 18099 608 1 . 1 1 160 160 GLY N N 137 110.638 110.638 108.447 2.191 18099 609 1 . 1 1 160 160 GLY C C 137 174.231 174.231 172.387 1.843 18099 610 1 . 1 1 160 160 GLY CA C 137 45.190 45.190 44.771 0.419 18099 611 1 . 1 1 160 160 GLY H H 137 7.797 7.797 7.839 -0.042 18099 612 1 . 1 1 161 161 GLU N N 138 120.260 120.260 123.255 -2.995 18099 613 1 . 1 1 161 161 GLU C C 138 177.043 177.043 177.809 -0.766 18099 614 1 . 1 1 161 161 GLU CA C 138 56.487 56.487 57.643 -1.156 18099 615 1 . 1 1 161 161 GLU CB C 138 29.716 29.716 30.078 -0.362 18099 616 1 . 1 1 161 161 GLU H H 138 8.239 8.239 7.761 0.479 18099 617 1 . 1 1 162 162 GLY N N 139 109.909 109.909 112.283 -2.374 18099 618 1 . 1 1 162 162 GLY C C 139 174.400 174.400 173.242 1.158 18099 619 1 . 1 1 162 162 GLY CA C 139 45.005 45.005 44.925 0.080 18099 620 1 . 1 1 162 162 GLY H H 139 8.221 8.221 8.827 -0.606 18099 621 1 . 1 1 164 164 ASP C C 141 176.480 176.480 176.676 -0.196 18099 622 1 . 1 1 164 164 ASP CA C 141 54.640 54.640 54.870 -0.230 18099 623 1 . 1 1 164 164 ASP CB C 141 40.384 40.384 41.107 -0.723 18099 624 1 . 1 1 165 165 THR N N 142 112.242 112.242 113.273 -1.031 18099 625 1 . 1 1 165 165 THR C C 142 174.251 174.251 174.841 -0.590 18099 626 1 . 1 1 165 165 THR CA C 142 61.436 61.436 62.293 -0.857 18099 627 1 . 1 1 165 165 THR CB C 142 69.364 69.364 69.306 0.058 18099 628 1 . 1 1 165 165 THR H H 142 7.585 7.585 7.727 -0.142 18099 629 1 . 1 1 166 166 ARG N N 143 123.467 123.467 119.912 3.555 18099 630 1 . 1 1 166 166 ARG C C 143 176.360 176.360 175.306 1.054 18099 631 1 . 1 1 166 166 ARG CA C 143 55.734 55.734 57.114 -1.380 18099 632 1 . 1 1 166 166 ARG CB C 143 29.933 29.933 28.747 1.186 18099 633 1 . 1 1 166 166 ARG H H 143 7.833 7.833 8.462 -0.629 18099 634 1 . 1 1 167 167 LEU N N 144 124.342 124.342 122.870 1.472 18099 635 1 . 1 1 167 167 LEU C C 144 177.614 177.614 175.632 1.983 18099 636 1 . 1 1 167 167 LEU CA C 144 54.335 54.335 53.130 1.205 18099 637 1 . 1 1 167 167 LEU CB C 144 42.518 42.518 45.716 -3.197 18099 638 1 . 1 1 167 167 LEU H H 144 8.377 8.377 8.144 0.233 18099 639 1 . 1 1 168 168 SER N N 145 119.385 119.385 117.313 2.072 18099 640 1 . 1 1 168 168 SER C C 145 174.748 174.748 173.591 1.157 18099 641 1 . 1 1 168 168 SER CA C 145 57.132 57.132 59.518 -2.386 18099 642 1 . 1 1 168 168 SER CB C 145 64.882 64.882 63.609 1.273 18099 643 1 . 1 1 168 168 SER H H 145 8.935 8.935 8.468 0.467 18099 644 1 . 1 1 170 170 SER C C 147 177.296 177.296 176.197 1.099 18099 645 1 . 1 1 170 170 SER CA C 147 60.665 60.665 61.100 -0.435 18099 646 1 . 1 1 170 170 SER CB C 147 62.108 62.108 62.463 -0.355 18099 647 1 . 1 1 171 171 GLU N N 148 124.488 124.488 121.203 3.285 18099 648 1 . 1 1 171 171 GLU C C 148 179.525 179.525 178.722 0.803 18099 649 1 . 1 1 171 171 GLU CA C 148 58.639 58.639 58.870 -0.231 18099 650 1 . 1 1 171 171 GLU CB C 148 29.607 29.607 28.942 0.665 18099 651 1 . 1 1 171 171 GLU H H 148 7.645 7.645 8.442 -0.797 18099 652 1 . 1 1 172 172 MET N N 149 120.260 120.260 119.699 0.561 18099 653 1 . 1 1 172 172 MET C C 149 177.117 177.117 177.843 -0.726 18099 654 1 . 1 1 172 172 MET CA C 149 58.501 58.501 56.920 1.581 18099 655 1 . 1 1 172 172 MET CB C 149 31.418 31.418 32.245 -0.827 18099 656 1 . 1 1 172 172 MET H H 149 8.630 8.630 8.032 0.598 18099 657 1 . 1 1 173 173 LYS N N 150 119.239 119.239 120.038 -0.799 18099 658 1 . 1 1 173 173 LYS C C 150 178.012 178.012 178.806 -0.794 18099 659 1 . 1 1 173 173 LYS CA C 150 59.607 59.607 59.720 -0.113 18099 660 1 . 1 1 173 173 LYS CB C 150 31.378 31.378 32.327 -0.949 18099 661 1 . 1 1 173 173 LYS H H 150 7.733 7.733 7.936 -0.203 18099 662 1 . 1 1 174 174 GLN N N 151 116.907 116.907 117.087 -0.180 18099 663 1 . 1 1 174 174 GLN C C 151 178.172 178.172 178.567 -0.395 18099 664 1 . 1 1 174 174 GLN CA C 151 58.316 58.316 57.553 0.763 18099 665 1 . 1 1 174 174 GLN CB C 151 28.107 28.107 28.302 -0.195 18099 666 1 . 1 1 174 174 GLN H H 151 7.513 7.513 7.744 -0.231 18099 667 1 . 1 1 175 175 LEU N N 152 120.989 120.989 122.755 -1.766 18099 668 1 . 1 1 175 175 LEU C C 152 179.226 179.226 178.599 0.627 18099 669 1 . 1 1 175 175 LEU CA C 152 58.150 58.150 58.174 -0.024 18099 670 1 . 1 1 175 175 LEU CB C 152 40.993 40.993 41.691 -0.698 18099 671 1 . 1 1 175 175 LEU H H 152 7.819 7.819 7.625 0.194 18099 672 1 . 1 1 176 176 ILE N N 153 119.823 119.823 118.612 1.211 18099 673 1 . 1 1 176 176 ILE C C 153 177.893 177.893 178.451 -0.558 18099 674 1 . 1 1 176 176 ILE CA C 153 65.309 65.309 63.791 1.518 18099 675 1 . 1 1 176 176 ILE CB C 153 36.866 36.866 36.230 0.636 18099 676 1 . 1 1 176 176 ILE H H 153 8.210 8.210 7.653 0.557 18099 677 1 . 1 1 177 177 ASP N N 154 120.114 120.114 120.921 -0.807 18099 678 1 . 1 1 177 177 ASP C C 154 179.605 179.605 178.957 0.648 18099 679 1 . 1 1 177 177 ASP CA C 154 57.453 57.453 57.559 -0.106 18099 680 1 . 1 1 177 177 ASP CB C 154 38.949 38.949 39.968 -1.019 18099 681 1 . 1 1 177 177 ASP H H 154 8.581 8.581 8.006 0.575 18099 682 1 . 1 1 178 178 ASN N N 155 120.114 120.114 118.504 1.610 18099 683 1 . 1 1 178 178 ASN C C 155 177.813 177.813 177.976 -0.163 18099 684 1 . 1 1 178 178 ASN CA C 155 56.164 56.164 55.874 0.290 18099 685 1 . 1 1 178 178 ASN CB C 155 38.068 38.068 38.338 -0.270 18099 686 1 . 1 1 178 178 ASN H H 155 8.150 8.150 8.162 -0.012 18099 687 1 . 1 1 179 179 ILE N N 156 122.301 122.301 121.248 1.053 18099 688 1 . 1 1 179 179 ILE C C 156 180.182 180.182 178.043 2.139 18099 689 1 . 1 1 179 179 ILE CA C 156 65.202 65.202 65.656 -0.455 18099 690 1 . 1 1 179 179 ILE CB C 156 37.516 37.516 38.006 -0.490 18099 691 1 . 1 1 179 179 ILE H H 156 8.360 8.360 7.826 0.534 18099 692 1 . 1 1 180 180 LEU N N 157 121.864 121.864 120.397 1.467 18099 693 1 . 1 1 180 180 LEU C C 157 178.859 178.859 179.301 -0.442 18099 694 1 . 1 1 180 180 LEU CA C 157 58.101 58.101 58.242 -0.141 18099 695 1 . 1 1 180 180 LEU CB C 157 40.133 40.133 41.600 -1.467 18099 696 1 . 1 1 180 180 LEU H H 157 8.283 8.283 8.313 -0.030 18099 697 1 . 1 1 181 181 GLU N N 158 120.843 120.843 119.119 1.724 18099 698 1 . 1 1 181 181 GLU C C 158 179.062 179.062 179.284 -0.222 18099 699 1 . 1 1 181 181 GLU CA C 158 59.184 59.184 59.349 -0.165 18099 700 1 . 1 1 181 181 GLU CB C 158 28.687 28.687 29.618 -0.931 18099 701 1 . 1 1 181 181 GLU H H 158 8.465 8.465 8.207 0.258 18099 702 1 . 1 1 182 182 GLU N N 159 114.574 114.574 117.728 -3.154 18099 703 1 . 1 1 182 182 GLU C C 159 178.090 178.090 177.949 0.141 18099 704 1 . 1 1 182 182 GLU CA C 159 57.544 57.544 58.437 -0.893 18099 705 1 . 1 1 182 182 GLU CB C 159 30.115 30.115 29.731 0.384 18099 706 1 . 1 1 182 182 GLU H H 159 7.651 7.651 8.102 -0.451 18099 707 1 . 1 1 183 183 SER N N 160 110.492 110.492 113.596 -3.104 18099 708 1 . 1 1 183 183 SER C C 160 174.309 174.309 174.450 -0.140 18099 709 1 . 1 1 183 183 SER CA C 160 59.252 59.252 60.105 -0.853 18099 710 1 . 1 1 183 183 SER CB C 160 65.311 65.311 64.127 1.184 18099 711 1 . 1 1 183 183 SER H H 160 7.670 7.670 8.106 -0.436 18099 712 1 . 1 1 184 184 ASP N N 161 120.551 120.551 120.788 -0.237 18099 713 1 . 1 1 184 184 ASP C C 161 177.190 177.190 175.999 1.191 18099 714 1 . 1 1 184 184 ASP CA C 161 52.417 52.417 54.339 -1.922 18099 715 1 . 1 1 184 184 ASP CB C 161 38.955 38.955 41.696 -2.741 18099 716 1 . 1 1 184 184 ASP H H 161 8.437 8.437 8.018 0.419 18099 717 1 . 1 1 185 185 ILE N N 162 126.820 126.820 121.216 5.604 18099 718 1 . 1 1 185 185 ILE C C 162 177.878 177.878 175.945 1.933 18099 719 1 . 1 1 185 185 ILE CA C 162 63.556 63.556 63.051 0.505 18099 720 1 . 1 1 185 185 ILE CB C 162 37.099 37.099 38.875 -1.776 18099 721 1 . 1 1 185 185 ILE H H 162 7.588 7.588 8.250 -0.662 18099 722 1 . 1 1 186 186 ASP N N 163 116.615 116.615 118.171 -1.556 18099 723 1 . 1 1 186 186 ASP C C 163 176.171 176.171 176.498 -0.327 18099 724 1 . 1 1 186 186 ASP CA C 163 53.253 53.253 54.990 -1.738 18099 725 1 . 1 1 186 186 ASP CB C 163 38.780 38.780 39.959 -1.179 18099 726 1 . 1 1 186 186 ASP H H 163 8.247 8.247 8.255 -0.008 18099 727 1 . 1 1 187 187 ARG N N 164 115.303 115.303 115.317 -0.014 18099 728 1 . 1 1 187 187 ARG C C 164 176.086 176.086 175.807 0.279 18099 729 1 . 1 1 187 187 ARG CA C 164 56.538 56.538 56.921 -0.383 18099 730 1 . 1 1 187 187 ARG CB C 164 25.527 25.527 28.524 -2.997 18099 731 1 . 1 1 187 187 ARG H H 164 7.597 7.597 8.212 -0.615 18099 732 1 . 1 1 188 188 ASP N N 165 120.551 120.551 117.679 2.872 18099 733 1 . 1 1 188 188 ASP C C 165 177.731 177.731 177.616 0.115 18099 734 1 . 1 1 188 188 ASP CA C 165 53.636 53.636 55.319 -1.683 18099 735 1 . 1 1 188 188 ASP CB C 165 40.311 40.311 40.533 -0.222 18099 736 1 . 1 1 188 188 ASP H H 165 8.603 8.603 8.246 0.357 18099 737 1 . 1 1 189 189 GLY N N 166 114.283 114.283 106.902 7.381 18099 738 1 . 1 1 189 189 GLY C C 166 173.220 173.220 173.688 -0.467 18099 739 1 . 1 1 189 189 GLY CA C 166 44.931 44.931 45.231 -0.300 18099 740 1 . 1 1 189 189 GLY H H 166 10.434 10.434 8.724 1.710 18099 741 1 . 1 1 190 190 THR N N 167 110.201 110.201 110.936 -0.735 18099 742 1 . 1 1 190 190 THR C C 167 173.793 173.793 173.042 0.751 18099 743 1 . 1 1 190 190 THR CA C 167 59.054 59.054 60.336 -1.282 18099 744 1 . 1 1 190 190 THR CB C 167 72.483 72.483 72.289 0.194 18099 745 1 . 1 1 190 190 THR H H 167 8.087 8.087 8.429 -0.342 18099 746 1 . 1 1 191 191 ILE N N 168 124.779 124.779 122.531 2.248 18099 747 1 . 1 1 191 191 ILE C C 168 175.685 175.685 174.963 0.722 18099 748 1 . 1 1 191 191 ILE CA C 168 59.077 59.077 60.231 -1.154 18099 749 1 . 1 1 191 191 ILE CB C 168 38.406 38.406 40.891 -2.485 18099 750 1 . 1 1 191 191 ILE H H 168 9.275 9.275 8.157 1.118 18099 751 1 . 1 1 192 192 ASN N N 169 109.180 109.180 124.830 -15.650 18099 752 1 . 1 1 192 192 ASN C C 169 175.095 175.095 176.155 -1.060 18099 753 1 . 1 1 192 192 ASN CA C 169 50.952 50.952 51.665 -0.713 18099 754 1 . 1 1 192 192 ASN CB C 169 38.206 38.206 39.554 -1.348 18099 755 1 . 1 1 192 192 ASN H H 169 9.154 9.154 8.287 0.867 18099 756 1 . 1 1 193 193 LEU N N 170 120.697 120.697 119.508 1.189 18099 757 1 . 1 1 193 193 LEU C C 170 178.160 178.160 178.036 0.124 18099 758 1 . 1 1 193 193 LEU CA C 170 58.382 58.382 58.054 0.328 18099 759 1 . 1 1 193 193 LEU CB C 170 40.478 40.478 41.378 -0.900 18099 760 1 . 1 1 193 193 LEU H H 170 8.162 8.162 8.296 -0.134 18099 761 1 . 1 1 194 194 SER N N 171 114.283 114.283 114.246 0.037 18099 762 1 . 1 1 194 194 SER C C 171 178.124 178.124 176.987 1.137 18099 763 1 . 1 1 194 194 SER CA C 171 60.901 60.901 61.401 -0.500 18099 764 1 . 1 1 194 194 SER CB C 171 62.358 62.358 62.517 -0.159 18099 765 1 . 1 1 194 194 SER H H 171 7.812 7.812 8.043 -0.231 18099 766 1 . 1 1 195 195 GLU N N 172 124.050 124.050 121.690 2.360 18099 767 1 . 1 1 195 195 GLU C C 172 179.334 179.334 178.919 0.415 18099 768 1 . 1 1 195 195 GLU CA C 172 58.842 58.842 58.953 -0.111 18099 769 1 . 1 1 195 195 GLU CB C 172 28.784 28.784 29.601 -0.818 18099 770 1 . 1 1 195 195 GLU H H 172 8.540 8.540 9.091 -0.551 18099 771 1 . 1 1 196 196 PHE N N 173 121.864 121.864 121.257 0.607 18099 772 1 . 1 1 196 196 PHE C C 173 176.340 176.340 177.170 -0.830 18099 773 1 . 1 1 196 196 PHE CA C 173 61.172 61.172 61.445 -0.273 18099 774 1 . 1 1 196 196 PHE CB C 173 39.661 39.661 39.325 0.336 18099 775 1 . 1 1 196 196 PHE H H 173 8.738 8.738 8.469 0.269 18099 776 1 . 1 1 197 197 GLN N N 174 117.198 117.198 118.628 -1.430 18099 777 1 . 1 1 197 197 GLN C C 174 178.868 178.868 177.757 1.111 18099 778 1 . 1 1 197 197 GLN CA C 174 59.069 59.069 59.184 -0.115 18099 779 1 . 1 1 197 197 GLN CB C 174 27.520 27.520 28.591 -1.071 18099 780 1 . 1 1 197 197 GLN H H 174 8.912 8.912 8.159 0.753 18099 781 1 . 1 1 198 198 HIS N N 175 120.697 120.697 118.604 2.093 18099 782 1 . 1 1 198 198 HIS C C 175 177.236 177.236 178.221 -0.985 18099 783 1 . 1 1 198 198 HIS CA C 175 59.715 59.715 58.886 0.828 18099 784 1 . 1 1 198 198 HIS CB C 175 29.579 29.579 29.918 -0.339 18099 785 1 . 1 1 198 198 HIS H H 175 8.165 8.165 7.496 0.669 18099 786 1 . 1 1 199 199 VAL N N 176 117.927 117.927 119.685 -1.758 18099 787 1 . 1 1 199 199 VAL C C 176 178.749 178.749 178.415 0.334 18099 788 1 . 1 1 199 199 VAL CA C 176 65.632 65.632 66.282 -0.650 18099 789 1 . 1 1 199 199 VAL CB C 176 30.616 30.616 31.434 -0.818 18099 790 1 . 1 1 199 199 VAL H H 176 7.654 7.654 8.176 -0.522 18099 791 1 . 1 1 200 200 ILE N N 177 117.636 117.636 117.465 0.171 18099 792 1 . 1 1 200 200 ILE C C 177 178.331 178.331 176.567 1.764 18099 793 1 . 1 1 200 200 ILE CA C 177 62.512 62.512 63.801 -1.289 18099 794 1 . 1 1 200 200 ILE CB C 177 35.259 35.259 37.085 -1.826 18099 795 1 . 1 1 200 200 ILE H H 177 7.540 7.540 7.730 -0.190 18099 796 1 . 1 1 201 201 SER C C 178 174.450 174.450 174.901 -0.451 18099 797 1 . 1 1 201 201 SER CA C 178 60.450 60.450 58.129 2.321 18099 798 1 . 1 1 201 201 SER CB C 178 62.849 62.849 62.988 -0.139 18099 799 1 . 1 1 202 202 ARG N N 179 118.073 118.073 121.915 -3.842 18099 800 1 . 1 1 202 202 ARG C C 179 176.778 176.778 175.488 1.290 18099 801 1 . 1 1 202 202 ARG CA C 179 55.196 55.196 56.988 -1.792 18099 802 1 . 1 1 202 202 ARG CB C 179 29.291 29.291 31.703 -2.412 18099 803 1 . 1 1 202 202 ARG H H 179 6.975 6.975 7.543 -0.568 18099 804 1 . 1 1 203 203 SER N N 180 117.927 117.927 113.678 4.249 18099 805 1 . 1 1 203 203 SER CA C 180 55.949 55.949 56.047 -0.098 18099 806 1 . 1 1 203 203 SER CB C 180 63.786 63.786 65.201 -1.415 18099 807 1 . 1 1 203 203 SER H H 180 7.391 7.391 7.570 -0.179 18099 808 1 . 1 1 206 206 PHE C C 183 176.466 176.466 177.824 -1.357 18099 809 1 . 1 1 206 206 PHE CA C 183 57.576 57.576 60.741 -3.165 18099 810 1 . 1 1 206 206 PHE CB C 183 39.466 39.466 38.417 1.049 18099 811 1 . 1 1 207 207 ALA N N 184 123.904 123.904 122.007 1.897 18099 812 1 . 1 1 207 207 ALA CA C 184 55.030 55.030 55.019 0.012 18099 813 1 . 1 1 207 207 ALA CB C 184 18.190 18.190 18.439 -0.249 18099 814 1 . 1 1 207 207 ALA H H 184 8.032 8.032 7.662 0.370 18099 815 1 . 1 1 211 211 LYS C C 188 175.805 175.805 176.104 -0.299 18099 816 1 . 1 1 211 211 LYS CA C 188 56.150 56.150 59.245 -3.095 18099 817 1 . 1 1 211 211 LYS CB C 188 31.554 31.554 32.903 -1.349 18099 818 1 . 1 1 212 212 ILE N N 189 122.155 122.155 117.422 4.733 18099 819 1 . 1 1 212 212 ILE C C 189 175.725 175.725 174.885 0.840 18099 820 1 . 1 1 212 212 ILE CA C 189 60.541 60.541 59.671 0.870 18099 821 1 . 1 1 212 212 ILE CB C 189 37.939 37.939 38.728 -0.789 18099 822 1 . 1 1 212 212 ILE H H 189 7.940 7.940 8.144 -0.204 18099 823 1 . 1 1 213 213 VAL N N 190 125.945 125.945 126.373 -0.428 18099 824 1 . 1 1 213 213 VAL C C 190 174.938 174.938 175.028 -0.090 18099 825 1 . 1 1 213 213 VAL CA C 190 61.870 61.870 61.702 0.168 18099 826 1 . 1 1 213 213 VAL CB C 190 31.892 31.892 33.976 -2.084 18099 827 1 . 1 1 213 213 VAL H H 190 8.076 8.076 8.452 -0.376 18099 stop_ save_