data_18018 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18018 _Entry.PDB_ID 2LL0 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 18018 _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 4 4 PHE N N 4 122.548 122.548 119.591 2.957 18018 2 1 1 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.632 0.051 18018 3 1 1 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.121 0.485 18018 4 1 1 . 1 1 4 4 PHE CB C 4 38.895 38.895 38.194 0.701 18018 5 1 1 . 1 1 4 4 PHE H H 4 8.328 8.328 7.658 0.670 18018 6 1 1 . 1 1 7 7 ARG N N 7 121.962 121.962 120.817 1.145 18018 7 1 1 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.427 -0.171 18018 8 1 1 . 1 1 7 7 ARG C C 7 176.683 176.683 176.236 0.447 18018 9 1 1 . 1 1 7 7 ARG CA C 7 57.087 57.087 55.898 1.189 18018 10 1 1 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.201 -0.839 18018 11 1 1 . 1 1 7 7 ARG H H 7 8.321 8.321 8.543 -0.222 18018 12 1 1 . 1 1 8 8 GLU N N 8 121.095 121.095 120.483 0.612 18018 13 1 1 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.215 0.036 18018 14 1 1 . 1 1 8 8 GLU C C 8 176.964 176.964 177.328 -0.364 18018 15 1 1 . 1 1 8 8 GLU CA C 8 56.933 56.933 58.415 -1.482 18018 16 1 1 . 1 1 8 8 GLU CB C 8 28.855 28.855 30.291 -1.436 18018 17 1 1 . 1 1 8 8 GLU H H 8 8.388 8.388 7.715 0.673 18018 18 1 1 . 1 1 9 9 ARG N N 9 121.310 121.310 116.607 4.703 18018 19 1 1 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.542 -0.202 18018 20 1 1 . 1 1 9 9 ARG C C 9 176.563 176.563 176.321 0.242 18018 21 1 1 . 1 1 9 9 ARG CA C 9 56.413 56.413 54.723 1.690 18018 22 1 1 . 1 1 9 9 ARG CB C 9 29.669 29.669 30.431 -0.762 18018 23 1 1 . 1 1 9 9 ARG H H 9 8.268 8.268 8.177 0.091 18018 24 1 1 . 1 1 10 10 ALA N N 10 124.224 124.224 121.016 3.208 18018 25 1 1 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.164 0.154 18018 26 1 1 . 1 1 10 10 ALA C C 10 178.129 178.129 176.320 1.809 18018 27 1 1 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.855 0.092 18018 28 1 1 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.051 -1.295 18018 29 1 1 . 1 1 10 10 ALA H H 10 8.222 8.222 8.140 0.082 18018 30 1 1 . 1 1 11 11 HIS N N 11 118.081 118.081 114.786 3.295 18018 31 1 1 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.014 0.685 18018 32 1 1 . 1 1 11 11 HIS C C 11 175.013 175.013 176.543 -1.530 18018 33 1 1 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.406 -1.151 18018 34 1 1 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.261 -2.494 18018 35 1 1 . 1 1 11 11 HIS H H 11 8.486 8.486 7.962 0.524 18018 36 1 1 . 1 1 12 12 GLU N N 12 121.492 121.492 121.335 0.157 18018 37 1 1 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.174 0.104 18018 38 1 1 . 1 1 12 12 GLU C C 12 176.808 176.808 176.678 0.130 18018 39 1 1 . 1 1 12 12 GLU CA C 12 57.621 57.621 59.182 -1.561 18018 40 1 1 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.439 -0.586 18018 41 1 1 . 1 1 12 12 GLU H H 12 8.370 8.370 8.839 -0.469 18018 42 1 1 . 1 1 13 13 ALA N N 13 123.583 123.583 121.174 2.409 18018 43 1 1 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.426 -0.122 18018 44 1 1 . 1 1 13 13 ALA C C 13 178.197 178.197 178.325 -0.128 18018 45 1 1 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.582 0.469 18018 46 1 1 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.386 -1.597 18018 47 1 1 . 1 1 13 13 ALA H H 13 8.426 8.426 7.815 0.611 18018 48 1 1 . 1 1 14 14 LYS N N 14 119.772 119.772 119.028 0.744 18018 49 1 1 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.536 0.682 18018 50 1 1 . 1 1 14 14 LYS C C 14 176.757 176.757 177.188 -0.431 18018 51 1 1 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.351 -1.241 18018 52 1 1 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.890 -0.147 18018 53 1 1 . 1 1 14 14 LYS H H 14 8.073 8.073 7.562 0.511 18018 54 1 1 . 1 1 15 15 PHE N N 15 118.073 118.073 113.537 4.536 18018 55 1 1 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.614 -0.170 18018 56 1 1 . 1 1 15 15 PHE C C 15 175.635 175.635 177.447 -1.812 18018 57 1 1 . 1 1 15 15 PHE CA C 15 59.001 59.001 56.028 2.973 18018 58 1 1 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.801 -0.310 18018 59 1 1 . 1 1 15 15 PHE H H 15 7.926 7.926 7.990 -0.064 18018 60 1 1 . 1 1 16 16 ALA N N 16 122.453 122.453 123.005 -0.552 18018 61 1 1 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.176 0.130 18018 62 1 1 . 1 1 16 16 ALA C C 16 177.641 177.641 178.023 -0.382 18018 63 1 1 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.399 -1.347 18018 64 1 1 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.530 -0.509 18018 65 1 1 . 1 1 16 16 ALA H H 16 8.137 8.137 7.650 0.487 18018 66 1 1 . 1 1 17 17 HIS N N 17 115.587 115.587 114.137 1.450 18018 67 1 1 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.878 -0.053 18018 68 1 1 . 1 1 17 17 HIS CA C 17 55.095 55.095 54.252 0.843 18018 69 1 1 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.435 -0.477 18018 70 1 1 . 1 1 17 17 HIS H H 17 8.051 8.051 7.725 0.326 18018 71 1 1 . 1 1 18 18 ASP N N 18 121.432 121.432 120.217 1.215 18018 72 1 1 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.212 0.578 18018 73 1 1 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.490 -1.909 18018 74 1 1 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.074 0.713 18018 75 1 1 . 1 1 18 18 ASP H H 18 7.913 7.913 7.788 0.125 18018 76 1 1 . 1 1 19 19 ALA N N 19 126.983 126.983 121.510 5.473 18018 77 1 1 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.903 0.393 18018 78 1 1 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.644 -0.597 18018 79 1 1 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.409 0.450 18018 80 1 1 . 1 1 19 19 ALA H H 19 8.599 8.599 8.588 0.011 18018 81 1 1 . 1 1 20 20 GLU N N 20 119.997 119.997 120.193 -0.196 18018 82 1 1 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.178 0.151 18018 83 1 1 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.018 -0.640 18018 84 1 1 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.770 -0.893 18018 85 1 1 . 1 1 20 20 GLU H H 20 8.377 8.377 8.025 0.352 18018 86 1 1 . 1 1 21 21 LEU N N 21 122.484 122.484 119.310 3.174 18018 87 1 1 . 1 1 21 21 LEU HA H 21 4.163 4.163 3.998 0.165 18018 88 1 1 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.738 -0.613 18018 89 1 1 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.891 -0.861 18018 90 1 1 . 1 1 21 21 LEU H H 21 8.117 8.117 7.632 0.485 18018 91 1 1 . 1 1 22 22 ASN N N 22 117.879 117.879 117.702 0.177 18018 92 1 1 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.396 0.296 18018 93 1 1 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.919 -0.580 18018 94 1 1 . 1 1 22 22 ASN CB C 22 40.138 40.138 38.053 2.084 18018 95 1 1 . 1 1 22 22 ASN H H 22 8.507 8.507 7.646 0.861 18018 96 1 1 . 1 1 23 23 PHE N N 23 121.096 121.096 121.363 -0.267 18018 97 1 1 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.212 0.251 18018 98 1 1 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.704 -1.465 18018 99 1 1 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.226 -1.194 18018 100 1 1 . 1 1 23 23 PHE H H 23 8.465 8.465 7.844 0.621 18018 101 1 1 . 1 1 24 24 LYS N N 24 120.580 120.580 118.299 2.281 18018 102 1 1 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.950 0.221 18018 103 1 1 . 1 1 24 24 LYS C C 24 179.309 179.309 178.283 1.026 18018 104 1 1 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.157 -0.116 18018 105 1 1 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.157 0.230 18018 106 1 1 . 1 1 24 24 LYS H H 24 8.427 8.427 7.710 0.717 18018 107 1 1 . 1 1 25 25 ALA N N 25 123.682 123.682 120.824 2.858 18018 108 1 1 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.068 0.053 18018 109 1 1 . 1 1 25 25 ALA C C 25 178.243 178.243 179.015 -0.772 18018 110 1 1 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.584 -0.119 18018 111 1 1 . 1 1 25 25 ALA CB C 25 17.699 17.699 19.131 -1.432 18018 112 1 1 . 1 1 25 25 ALA H H 25 8.768 8.768 7.977 0.791 18018 113 1 1 . 1 1 26 26 GLU N N 26 122.051 122.051 119.554 2.497 18018 114 1 1 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.906 0.115 18018 115 1 1 . 1 1 26 26 GLU C C 26 177.265 177.265 178.235 -0.970 18018 116 1 1 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.444 -0.983 18018 117 1 1 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.639 -0.877 18018 118 1 1 . 1 1 26 26 GLU H H 26 8.532 8.532 8.301 0.231 18018 119 1 1 . 1 1 27 27 ALA N N 27 122.124 122.124 116.559 5.565 18018 120 1 1 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.165 0.160 18018 121 1 1 . 1 1 27 27 ALA C C 27 180.552 180.552 177.604 2.948 18018 122 1 1 . 1 1 27 27 ALA CA C 27 54.169 54.169 53.061 1.108 18018 123 1 1 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.265 -1.156 18018 124 1 1 . 1 1 27 27 ALA H H 27 8.048 8.048 7.621 0.427 18018 125 1 1 . 1 1 28 28 ARG N N 28 120.501 120.501 118.451 2.050 18018 126 1 1 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.454 -0.042 18018 127 1 1 . 1 1 28 28 ARG C C 28 176.309 176.309 177.942 -1.633 18018 128 1 1 . 1 1 28 28 ARG CA C 28 55.969 55.969 57.371 -1.402 18018 129 1 1 . 1 1 28 28 ARG CB C 28 26.915 26.915 31.247 -4.332 18018 130 1 1 . 1 1 28 28 ARG H H 28 8.046 8.046 7.804 0.242 18018 131 1 1 . 1 1 29 29 ARG N N 29 122.842 122.842 120.473 2.369 18018 132 1 1 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.909 -0.211 18018 133 1 1 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.642 -0.227 18018 134 1 1 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.145 -0.997 18018 135 1 1 . 1 1 29 29 ARG H H 29 8.908 8.908 8.671 0.237 18018 136 1 1 . 1 1 30 30 ASN N N 30 120.150 120.150 118.269 1.881 18018 137 1 1 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.470 0.164 18018 138 1 1 . 1 1 30 30 ASN C C 30 175.888 175.888 177.525 -1.637 18018 139 1 1 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.885 -0.478 18018 140 1 1 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.795 -1.860 18018 141 1 1 . 1 1 30 30 ASN H H 30 8.402 8.402 7.906 0.496 18018 142 1 1 . 1 1 31 31 ARG N N 31 123.400 123.400 121.360 2.040 18018 143 1 1 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.292 -0.010 18018 144 1 1 . 1 1 31 31 ARG C C 31 177.804 177.804 178.351 -0.547 18018 145 1 1 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.922 0.028 18018 146 1 1 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.722 -0.601 18018 147 1 1 . 1 1 31 31 ARG H H 31 7.996 7.996 7.688 0.308 18018 148 1 1 . 1 1 32 32 LEU N N 32 119.872 119.872 120.073 -0.201 18018 149 1 1 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.331 -0.040 18018 150 1 1 . 1 1 32 32 LEU C C 32 180.602 180.602 179.860 0.742 18018 151 1 1 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.184 -0.938 18018 152 1 1 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.607 -0.437 18018 153 1 1 . 1 1 32 32 LEU H H 32 8.742 8.742 7.999 0.743 18018 154 1 1 . 1 1 33 33 LEU N N 33 124.468 124.468 119.675 4.793 18018 155 1 1 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.249 0.052 18018 156 1 1 . 1 1 33 33 LEU C C 33 177.992 177.992 179.101 -1.109 18018 157 1 1 . 1 1 33 33 LEU CA C 33 57.015 57.015 58.884 -1.869 18018 158 1 1 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.886 0.353 18018 159 1 1 . 1 1 33 33 LEU H H 33 9.249 9.249 8.218 1.031 18018 160 1 1 . 1 1 34 34 GLY N N 34 109.045 109.045 107.351 1.694 18018 161 1 1 . 1 1 34 34 GLY C C 34 174.530 174.530 175.929 -1.399 18018 162 1 1 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.766 -0.319 18018 163 1 1 . 1 1 34 34 GLY H H 34 8.873 8.873 8.599 0.274 18018 164 1 1 . 1 1 35 35 GLU N N 35 123.414 123.414 122.181 1.233 18018 165 1 1 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.190 -0.013 18018 166 1 1 . 1 1 35 35 GLU C C 35 178.866 178.866 178.636 0.230 18018 167 1 1 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.446 0.585 18018 168 1 1 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.026 -0.063 18018 169 1 1 . 1 1 35 35 GLU H H 35 8.920 8.920 8.389 0.531 18018 170 1 1 . 1 1 36 36 TRP N N 36 124.774 124.774 123.232 1.542 18018 171 1 1 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.265 0.318 18018 172 1 1 . 1 1 36 36 TRP C C 36 177.618 177.618 178.446 -0.828 18018 173 1 1 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.617 -0.999 18018 174 1 1 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.329 -2.736 18018 175 1 1 . 1 1 36 36 TRP H H 36 8.510 8.510 7.623 0.887 18018 176 1 1 . 1 1 37 37 ALA N N 37 123.777 123.777 120.974 2.803 18018 177 1 1 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.105 0.272 18018 178 1 1 . 1 1 37 37 ALA C C 37 177.427 177.427 178.977 -1.550 18018 179 1 1 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.394 -0.545 18018 180 1 1 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.641 1.405 18018 181 1 1 . 1 1 37 37 ALA H H 37 9.122 9.122 8.414 0.708 18018 182 1 1 . 1 1 38 38 ALA N N 38 119.259 119.259 119.767 -0.508 18018 183 1 1 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.570 -0.076 18018 184 1 1 . 1 1 38 38 ALA C C 38 178.670 178.670 179.292 -0.622 18018 185 1 1 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.767 -0.324 18018 186 1 1 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.202 -0.513 18018 187 1 1 . 1 1 38 38 ALA H H 38 8.772 8.772 8.557 0.215 18018 188 1 1 . 1 1 39 39 GLY N N 39 104.027 104.027 103.670 0.357 18018 189 1 1 . 1 1 39 39 GLY C C 39 177.232 177.232 175.041 2.191 18018 190 1 1 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.689 0.733 18018 191 1 1 . 1 1 39 39 GLY H H 39 7.733 7.733 7.706 0.027 18018 192 1 1 . 1 1 40 40 LEU N N 40 125.448 125.448 119.822 5.626 18018 193 1 1 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.297 -0.212 18018 194 1 1 . 1 1 40 40 LEU C C 40 178.203 178.203 177.632 0.571 18018 195 1 1 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.321 1.397 18018 196 1 1 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.659 -1.320 18018 197 1 1 . 1 1 40 40 LEU H H 40 7.492 7.492 7.084 0.408 18018 198 1 1 . 1 1 41 41 LEU N N 41 117.234 117.234 117.259 -0.025 18018 199 1 1 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.891 0.216 18018 200 1 1 . 1 1 41 41 LEU C C 41 176.119 176.119 177.854 -1.735 18018 201 1 1 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.947 -3.066 18018 202 1 1 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.331 -0.678 18018 203 1 1 . 1 1 41 41 LEU H H 41 7.676 7.676 7.959 -0.283 18018 204 1 1 . 1 1 42 42 GLY N N 42 109.595 109.595 103.100 6.495 18018 205 1 1 . 1 1 42 42 GLY C C 42 173.775 173.775 174.846 -1.071 18018 206 1 1 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.458 0.790 18018 207 1 1 . 1 1 42 42 GLY H H 42 7.869 7.869 7.681 0.188 18018 208 1 1 . 1 1 43 43 LYS N N 43 119.965 119.965 121.211 -1.246 18018 209 1 1 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.498 0.214 18018 210 1 1 . 1 1 43 43 LYS C C 43 175.246 175.246 176.171 -0.925 18018 211 1 1 . 1 1 43 43 LYS CA C 43 54.770 54.770 56.254 -1.484 18018 212 1 1 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.287 0.484 18018 213 1 1 . 1 1 43 43 LYS H H 43 8.079 8.079 7.912 0.167 18018 214 1 1 . 1 1 44 44 THR N N 44 114.199 114.199 109.672 4.527 18018 215 1 1 . 1 1 44 44 THR HA H 44 4.749 4.749 4.498 0.251 18018 216 1 1 . 1 1 44 44 THR C C 44 174.392 174.392 174.364 0.028 18018 217 1 1 . 1 1 44 44 THR CA C 44 58.992 58.992 60.429 -1.437 18018 218 1 1 . 1 1 44 44 THR CB C 44 71.762 71.762 71.929 -0.167 18018 219 1 1 . 1 1 44 44 THR H H 44 8.934 8.934 7.979 0.955 18018 220 1 1 . 1 1 45 45 GLY N N 45 109.657 109.657 109.898 -0.241 18018 221 1 1 . 1 1 45 45 GLY C C 45 175.330 175.330 174.851 0.479 18018 222 1 1 . 1 1 45 45 GLY CA C 45 46.145 46.145 45.894 0.251 18018 223 1 1 . 1 1 45 45 GLY H H 45 8.862 8.862 8.434 0.428 18018 224 1 1 . 1 1 46 46 ASP N N 46 128.403 128.403 123.054 5.349 18018 225 1 1 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.722 -0.189 18018 226 1 1 . 1 1 46 46 ASP C C 46 177.343 177.343 177.589 -0.246 18018 227 1 1 . 1 1 46 46 ASP CA C 46 56.485 56.485 55.562 0.923 18018 228 1 1 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.032 -1.154 18018 229 1 1 . 1 1 46 46 ASP H H 46 9.283 9.283 8.531 0.752 18018 230 1 1 . 1 1 47 47 ASP N N 47 121.367 121.367 121.531 -0.164 18018 231 1 1 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.481 0.155 18018 232 1 1 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.546 -1.406 18018 233 1 1 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.684 -0.708 18018 234 1 1 . 1 1 47 47 ASP H H 47 8.488 8.488 8.002 0.486 18018 235 1 1 . 1 1 48 48 ALA N N 48 123.210 123.210 121.509 1.701 18018 236 1 1 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.966 -0.049 18018 237 1 1 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.305 -1.258 18018 238 1 1 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.694 -2.052 18018 239 1 1 . 1 1 48 48 ALA H H 48 7.235 7.235 7.572 -0.337 18018 240 1 1 . 1 1 49 49 ARG N N 49 120.088 120.088 119.461 0.627 18018 241 1 1 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.008 0.100 18018 242 1 1 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.009 -0.309 18018 243 1 1 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.138 -0.573 18018 244 1 1 . 1 1 49 49 ARG H H 49 7.777 7.777 7.913 -0.136 18018 245 1 1 . 1 1 50 50 ALA N N 50 120.988 120.988 121.623 -0.635 18018 246 1 1 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.101 0.090 18018 247 1 1 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.781 -0.698 18018 248 1 1 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.425 -1.146 18018 249 1 1 . 1 1 50 50 ALA H H 50 8.350 8.350 8.321 0.029 18018 250 1 1 . 1 1 51 51 TYR N N 51 119.264 119.264 118.822 0.442 18018 251 1 1 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.166 0.035 18018 252 1 1 . 1 1 51 51 TYR C C 51 178.335 178.335 176.615 1.720 18018 253 1 1 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.260 -0.173 18018 254 1 1 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.560 -0.720 18018 255 1 1 . 1 1 51 51 TYR H H 51 8.054 8.054 7.983 0.071 18018 256 1 1 . 1 1 52 52 ALA N N 52 124.002 124.002 119.667 4.335 18018 257 1 1 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.269 -0.402 18018 258 1 1 . 1 1 52 52 ALA C C 52 178.352 178.352 177.228 1.124 18018 259 1 1 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.684 1.386 18018 260 1 1 . 1 1 52 52 ALA CB C 52 16.835 16.835 19.145 -2.311 18018 261 1 1 . 1 1 52 52 ALA H H 52 8.611 8.611 7.605 1.006 18018 262 1 1 . 1 1 53 53 LEU N N 53 116.323 116.323 116.224 0.099 18018 263 1 1 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.588 -0.304 18018 264 1 1 . 1 1 53 53 LEU C C 53 177.452 177.452 176.206 1.246 18018 265 1 1 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.353 1.509 18018 266 1 1 . 1 1 53 53 LEU CB C 53 41.275 41.275 40.551 0.724 18018 267 1 1 . 1 1 53 53 LEU H H 53 7.591 7.591 7.534 0.057 18018 268 1 1 . 1 1 54 54 THR N N 54 110.782 110.782 114.821 -4.039 18018 269 1 1 . 1 1 54 54 THR HA H 54 4.392 4.392 4.350 0.042 18018 270 1 1 . 1 1 54 54 THR CA C 54 62.390 62.390 62.906 -0.516 18018 271 1 1 . 1 1 54 54 THR H H 54 7.947 7.947 7.514 0.433 18018 272 1 1 . 1 1 55 55 VAL N N 55 123.763 123.763 120.760 3.003 18018 273 1 1 . 1 1 55 55 VAL HA H 55 3.882 3.882 3.874 0.008 18018 274 1 1 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.656 -0.912 18018 275 1 1 . 1 1 55 55 VAL CB C 55 29.871 29.871 30.776 -0.905 18018 276 1 1 . 1 1 55 55 VAL H H 55 7.171 7.171 8.251 -1.080 18018 277 1 1 . 1 1 56 56 VAL N N 56 118.917 118.917 118.528 0.389 18018 278 1 1 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.273 0.117 18018 279 1 1 . 1 1 56 56 VAL CA C 56 60.780 60.780 60.598 0.182 18018 280 1 1 . 1 1 56 56 VAL CB C 56 33.490 33.490 33.564 -0.074 18018 281 1 1 . 1 1 56 56 VAL H H 56 7.409 7.409 7.557 -0.148 18018 282 1 1 . 1 1 57 57 THR N N 57 115.599 115.599 121.884 -6.285 18018 283 1 1 . 1 1 57 57 THR HA H 57 4.532 4.532 3.784 0.748 18018 284 1 1 . 1 1 57 57 THR CA C 57 60.614 60.614 64.608 -3.994 18018 285 1 1 . 1 1 57 57 THR CB C 57 68.892 68.892 68.525 0.367 18018 286 1 1 . 1 1 57 57 THR H H 57 7.916 7.916 8.791 -0.875 18018 287 1 1 . 1 1 58 58 SER N N 58 120.007 120.007 116.576 3.431 18018 288 1 1 . 1 1 58 58 SER HA H 58 4.547 4.547 4.153 0.394 18018 289 1 1 . 1 1 58 58 SER CA C 58 57.770 57.770 59.841 -2.071 18018 290 1 1 . 1 1 58 58 SER CB C 58 63.162 63.162 62.711 0.451 18018 291 1 1 . 1 1 58 58 SER H H 58 8.580 8.580 8.072 0.508 18018 292 1 1 . 1 1 59 59 ASP N N 59 122.731 122.731 120.402 2.329 18018 293 1 1 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.733 -0.043 18018 294 1 1 . 1 1 59 59 ASP CA C 59 53.456 53.456 53.352 0.104 18018 295 1 1 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.656 -0.908 18018 296 1 1 . 1 1 59 59 ASP H H 59 8.399 8.399 8.289 0.110 18018 297 1 1 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.473 -0.305 18018 298 1 1 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.522 1.532 18018 299 1 1 . 1 1 60 60 PHE CB C 60 35.813 35.813 38.854 -3.041 18018 300 1 1 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.700 -0.104 18018 301 1 1 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.225 0.723 18018 302 1 1 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.990 -1.463 18018 303 1 1 . 1 1 64 64 GLY N N 64 110.688 110.688 107.704 2.984 18018 304 1 1 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.953 -1.283 18018 305 1 1 . 1 1 64 64 GLY H H 64 8.725 8.725 8.393 0.332 18018 306 1 1 . 1 1 65 65 ASP N N 65 122.028 122.028 121.788 0.240 18018 307 1 1 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.234 0.429 18018 308 1 1 . 1 1 65 65 ASP CA C 65 55.765 55.765 57.050 -1.286 18018 309 1 1 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.003 0.459 18018 310 1 1 . 1 1 65 65 ASP H H 65 8.649 8.649 8.640 0.009 18018 311 1 1 . 1 1 67 67 ASP N N 67 120.095 120.095 121.772 -1.677 18018 312 1 1 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.510 0.071 18018 313 1 1 . 1 1 67 67 ASP CA C 67 56.553 56.553 57.460 -0.907 18018 314 1 1 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.891 -1.020 18018 315 1 1 . 1 1 67 67 ASP H H 67 8.181 8.181 7.858 0.323 18018 316 1 1 . 1 1 68 68 VAL N N 68 123.206 123.206 120.207 2.999 18018 317 1 1 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.673 0.144 18018 318 1 1 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.706 0.009 18018 319 1 1 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.980 -0.555 18018 320 1 1 . 1 1 68 68 VAL H H 68 8.014 8.014 7.781 0.233 18018 321 1 1 . 1 1 69 69 PHE N N 69 120.318 120.318 120.075 0.243 18018 322 1 1 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.236 -0.114 18018 323 1 1 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.149 -0.407 18018 324 1 1 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.836 -0.595 18018 325 1 1 . 1 1 69 69 PHE H H 69 8.501 8.501 7.902 0.599 18018 326 1 1 . 1 1 70 70 ARG N N 70 117.820 117.820 119.070 -1.250 18018 327 1 1 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.790 -0.078 18018 328 1 1 . 1 1 70 70 ARG C C 70 178.813 178.813 178.592 0.221 18018 329 1 1 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.689 -0.843 18018 330 1 1 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.429 0.353 18018 331 1 1 . 1 1 70 70 ARG H H 70 8.598 8.598 8.006 0.592 18018 332 1 1 . 1 1 71 71 LYS N N 71 121.726 121.726 120.166 1.560 18018 333 1 1 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.075 0.148 18018 334 1 1 . 1 1 71 71 LYS C C 71 177.020 177.020 178.491 -1.471 18018 335 1 1 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.875 -0.385 18018 336 1 1 . 1 1 71 71 LYS CB C 71 31.886 31.886 31.964 -0.078 18018 337 1 1 . 1 1 71 71 LYS H H 71 7.658 7.658 8.217 -0.559 18018 338 1 1 . 1 1 72 72 LEU N N 72 119.355 119.355 118.715 0.640 18018 339 1 1 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.254 -0.229 18018 340 1 1 . 1 1 72 72 LEU C C 72 177.378 177.378 178.918 -1.540 18018 341 1 1 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.743 -0.757 18018 342 1 1 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.820 0.026 18018 343 1 1 . 1 1 72 72 LEU H H 72 8.173 8.173 7.908 0.265 18018 344 1 1 . 1 1 73 73 ALA N N 73 121.169 121.169 122.874 -1.705 18018 345 1 1 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.836 -0.104 18018 346 1 1 . 1 1 73 73 ALA C C 73 179.644 179.644 179.153 0.491 18018 347 1 1 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.795 -0.971 18018 348 1 1 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.061 -1.525 18018 349 1 1 . 1 1 73 73 ALA H H 73 9.151 9.151 8.406 0.745 18018 350 1 1 . 1 1 74 74 ALA N N 74 119.383 119.383 117.086 2.297 18018 351 1 1 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.001 0.362 18018 352 1 1 . 1 1 74 74 ALA C C 74 179.752 179.752 178.064 1.688 18018 353 1 1 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.854 -0.330 18018 354 1 1 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.510 -0.866 18018 355 1 1 . 1 1 74 74 ALA H H 74 7.379 7.379 8.107 -0.728 18018 356 1 1 . 1 1 75 75 ASP N N 75 120.226 120.226 118.129 2.097 18018 357 1 1 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.773 -0.278 18018 358 1 1 . 1 1 75 75 ASP C C 75 177.704 177.704 177.601 0.103 18018 359 1 1 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.447 0.540 18018 360 1 1 . 1 1 75 75 ASP CB C 75 38.944 38.944 43.037 -4.093 18018 361 1 1 . 1 1 75 75 ASP H H 75 8.474 8.474 7.648 0.826 18018 362 1 1 . 1 1 76 76 LEU N N 76 115.468 115.468 119.170 -3.702 18018 363 1 1 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.356 0.036 18018 364 1 1 . 1 1 76 76 LEU C C 76 174.790 174.790 176.240 -1.450 18018 365 1 1 . 1 1 76 76 LEU CA C 76 52.624 52.624 54.247 -1.623 18018 366 1 1 . 1 1 76 76 LEU CB C 76 40.199 40.199 42.037 -1.838 18018 367 1 1 . 1 1 76 76 LEU H H 76 8.599 8.599 8.220 0.380 18018 368 1 1 . 1 1 77 77 GLU N N 77 124.833 124.833 121.179 3.654 18018 369 1 1 . 1 1 77 77 GLU HA H 77 4.340 4.340 3.854 0.486 18018 370 1 1 . 1 1 77 77 GLU C C 77 176.953 176.953 177.149 -0.196 18018 371 1 1 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.686 -0.375 18018 372 1 1 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.755 -1.140 18018 373 1 1 . 1 1 77 77 GLU H H 77 7.115 7.115 7.609 -0.494 18018 374 1 1 . 1 1 78 78 GLY N N 78 118.193 118.193 113.886 4.307 18018 375 1 1 . 1 1 78 78 GLY C C 78 173.075 173.075 174.547 -1.472 18018 376 1 1 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.856 -0.751 18018 377 1 1 . 1 1 78 78 GLY H H 78 9.371 9.371 8.947 0.424 18018 378 1 1 . 1 1 79 79 LYS N N 79 120.237 120.237 119.263 0.974 18018 379 1 1 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.477 0.154 18018 380 1 1 . 1 1 79 79 LYS C C 79 175.050 175.050 175.178 -0.128 18018 381 1 1 . 1 1 79 79 LYS CA C 79 55.225 55.225 55.948 -0.723 18018 382 1 1 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.759 -0.697 18018 383 1 1 . 1 1 79 79 LYS H H 79 8.799 8.799 8.251 0.548 18018 384 1 1 . 1 1 80 80 ALA N N 80 121.135 121.135 122.940 -1.805 18018 385 1 1 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.619 0.245 18018 386 1 1 . 1 1 80 80 ALA C C 80 174.051 174.051 175.025 -0.974 18018 387 1 1 . 1 1 80 80 ALA CA C 80 50.871 50.871 52.344 -1.473 18018 388 1 1 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.391 0.736 18018 389 1 1 . 1 1 80 80 ALA H H 80 8.126 8.126 7.850 0.276 18018 390 1 1 . 1 1 81 81 ASP N N 81 121.569 121.569 123.612 -2.043 18018 391 1 1 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.782 0.086 18018 392 1 1 . 1 1 81 81 ASP CA C 81 50.969 50.969 52.726 -1.757 18018 393 1 1 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.055 -0.769 18018 394 1 1 . 1 1 81 81 ASP H H 81 8.283 8.283 8.220 0.063 18018 395 1 1 . 1 1 82 82 GLU N N 82 120.044 120.044 121.392 -1.348 18018 396 1 1 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.240 -0.074 18018 397 1 1 . 1 1 82 82 GLU C C 82 177.350 177.350 178.629 -1.279 18018 398 1 1 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.432 -0.214 18018 399 1 1 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.756 -1.131 18018 400 1 1 . 1 1 82 82 GLU H H 82 8.891 8.891 8.837 0.054 18018 401 1 1 . 1 1 83 83 GLU N N 83 119.348 119.348 117.747 1.601 18018 402 1 1 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.119 0.028 18018 403 1 1 . 1 1 83 83 GLU C C 83 178.794 178.794 178.011 0.783 18018 404 1 1 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.955 0.127 18018 405 1 1 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.461 -1.086 18018 406 1 1 . 1 1 83 83 GLU H H 83 8.827 8.827 8.684 0.143 18018 407 1 1 . 1 1 84 84 THR N N 84 119.678 119.678 112.376 7.302 18018 408 1 1 . 1 1 84 84 THR HA H 84 4.131 4.131 4.446 -0.315 18018 409 1 1 . 1 1 84 84 THR C C 84 176.165 176.165 175.805 0.360 18018 410 1 1 . 1 1 84 84 THR CA C 84 66.422 66.422 64.097 2.325 18018 411 1 1 . 1 1 84 84 THR CB C 84 65.645 65.645 70.488 -4.843 18018 412 1 1 . 1 1 84 84 THR H H 84 8.552 8.552 7.923 0.629 18018 413 1 1 . 1 1 85 85 ILE N N 85 123.677 123.677 123.376 0.301 18018 414 1 1 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.751 0.068 18018 415 1 1 . 1 1 85 85 ILE C C 85 174.809 174.809 177.973 -3.164 18018 416 1 1 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.393 -0.810 18018 417 1 1 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.885 0.605 18018 418 1 1 . 1 1 85 85 ILE H H 85 8.571 8.571 8.324 0.247 18018 419 1 1 . 1 1 86 86 ARG N N 86 119.556 119.556 118.782 0.774 18018 420 1 1 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.114 0.057 18018 421 1 1 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.294 0.325 18018 422 1 1 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.956 -1.098 18018 423 1 1 . 1 1 86 86 ARG H H 86 9.093 9.093 7.943 1.150 18018 424 1 1 . 1 1 87 87 ALA N N 87 121.431 121.431 123.490 -2.059 18018 425 1 1 . 1 1 87 87 ALA HA H 87 4.288 4.288 3.995 0.293 18018 426 1 1 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.347 -1.192 18018 427 1 1 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.001 -0.929 18018 428 1 1 . 1 1 87 87 ALA H H 87 8.206 8.206 7.686 0.520 18018 429 1 1 . 1 1 88 88 LYS N N 88 122.850 122.850 118.220 4.630 18018 430 1 1 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.756 0.226 18018 431 1 1 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.540 -2.667 18018 432 1 1 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.411 -1.588 18018 433 1 1 . 1 1 88 88 LYS H H 88 8.145 8.145 8.223 -0.078 18018 434 1 1 . 1 1 89 89 MET N N 89 118.786 118.786 117.926 0.860 18018 435 1 1 . 1 1 89 89 MET HA H 89 3.810 3.810 4.125 -0.315 18018 436 1 1 . 1 1 89 89 MET CA C 89 60.096 60.096 58.344 1.752 18018 437 1 1 . 1 1 89 89 MET CB C 89 32.329 32.329 32.450 -0.121 18018 438 1 1 . 1 1 89 89 MET H H 89 8.468 8.468 7.686 0.782 18018 439 1 1 . 1 1 90 90 VAL N N 90 120.770 120.770 116.139 4.631 18018 440 1 1 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.866 -0.039 18018 441 1 1 . 1 1 90 90 VAL C C 90 178.017 178.017 178.556 -0.539 18018 442 1 1 . 1 1 90 90 VAL CA C 90 65.625 65.625 65.431 0.194 18018 443 1 1 . 1 1 90 90 VAL CB C 90 31.739 31.739 32.099 -0.360 18018 444 1 1 . 1 1 90 90 VAL H H 90 7.504 7.504 7.969 -0.465 18018 445 1 1 . 1 1 91 91 GLU N N 91 124.409 124.409 120.921 3.488 18018 446 1 1 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.067 -0.279 18018 447 1 1 . 1 1 91 91 GLU C C 91 177.612 177.612 177.831 -0.219 18018 448 1 1 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.708 -0.294 18018 449 1 1 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.257 2.187 18018 450 1 1 . 1 1 91 91 GLU H H 91 8.486 8.486 8.646 -0.160 18018 451 1 1 . 1 1 92 92 LEU N N 92 114.680 114.680 117.717 -3.037 18018 452 1 1 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.489 -0.099 18018 453 1 1 . 1 1 92 92 LEU C C 92 177.928 177.928 178.650 -0.722 18018 454 1 1 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.154 0.480 18018 455 1 1 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.918 -1.577 18018 456 1 1 . 1 1 92 92 LEU H H 92 8.823 8.823 7.787 1.036 18018 457 1 1 . 1 1 93 93 ARG N N 93 123.603 123.603 121.945 1.658 18018 458 1 1 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.101 -0.158 18018 459 1 1 . 1 1 93 93 ARG C C 93 176.350 176.350 178.093 -1.743 18018 460 1 1 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.975 0.606 18018 461 1 1 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.673 -0.770 18018 462 1 1 . 1 1 93 93 ARG H H 93 7.690 7.690 8.285 -0.595 18018 463 1 1 . 1 1 94 94 ALA N N 94 122.480 122.480 120.376 2.104 18018 464 1 1 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.218 0.043 18018 465 1 1 . 1 1 94 94 ALA C C 94 179.805 179.805 179.163 0.642 18018 466 1 1 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.370 -0.841 18018 467 1 1 . 1 1 94 94 ALA CB C 94 16.936 16.936 17.912 -0.976 18018 468 1 1 . 1 1 94 94 ALA H H 94 7.269 7.269 7.781 -0.512 18018 469 1 1 . 1 1 95 95 THR N N 95 116.936 116.936 115.365 1.571 18018 470 1 1 . 1 1 95 95 THR HA H 95 4.045 4.045 3.927 0.118 18018 471 1 1 . 1 1 95 95 THR C C 95 175.007 175.007 176.472 -1.465 18018 472 1 1 . 1 1 95 95 THR CA C 95 65.569 65.569 66.745 -1.176 18018 473 1 1 . 1 1 95 95 THR CB C 95 68.334 68.334 68.482 -0.148 18018 474 1 1 . 1 1 95 95 THR H H 95 8.282 8.282 7.882 0.400 18018 475 1 1 . 1 1 96 96 ALA N N 96 124.095 124.095 123.646 0.449 18018 476 1 1 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.950 -0.088 18018 477 1 1 . 1 1 96 96 ALA C C 96 178.184 178.184 179.558 -1.374 18018 478 1 1 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.934 -0.185 18018 479 1 1 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.262 0.508 18018 480 1 1 . 1 1 96 96 ALA H H 96 8.681 8.681 7.973 0.708 18018 481 1 1 . 1 1 97 97 ARG N N 97 117.328 117.328 118.401 -1.073 18018 482 1 1 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.895 -0.109 18018 483 1 1 . 1 1 97 97 ARG C C 97 176.770 176.770 179.274 -2.504 18018 484 1 1 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.406 0.156 18018 485 1 1 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.062 -0.446 18018 486 1 1 . 1 1 97 97 ARG H H 97 8.070 8.070 7.551 0.519 18018 487 1 1 . 1 1 98 98 GLU N N 98 118.245 118.245 119.358 -1.113 18018 488 1 1 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.115 0.000 18018 489 1 1 . 1 1 98 98 GLU C C 98 178.865 178.865 178.933 -0.068 18018 490 1 1 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.755 -0.266 18018 491 1 1 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.161 -0.649 18018 492 1 1 . 1 1 98 98 GLU H H 98 7.855 7.855 7.948 -0.093 18018 493 1 1 . 1 1 99 99 GLN N N 99 119.735 119.735 118.403 1.332 18018 494 1 1 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.030 0.141 18018 495 1 1 . 1 1 99 99 GLN C C 99 178.146 178.146 178.453 -0.307 18018 496 1 1 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.535 -0.290 18018 497 1 1 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.423 -1.329 18018 498 1 1 . 1 1 99 99 GLN H H 99 8.312 8.312 8.502 -0.190 18018 499 1 1 . 1 1 100 100 ILE N N 100 119.864 119.864 119.555 0.309 18018 500 1 1 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.713 0.237 18018 501 1 1 . 1 1 100 100 ILE C C 100 178.315 178.315 177.866 0.449 18018 502 1 1 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.979 -2.375 18018 503 1 1 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.949 -1.453 18018 504 1 1 . 1 1 100 100 ILE H H 100 8.445 8.445 7.545 0.900 18018 505 1 1 . 1 1 101 101 ILE N N 101 120.514 120.514 116.994 3.520 18018 506 1 1 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.869 0.143 18018 507 1 1 . 1 1 101 101 ILE C C 101 177.006 177.006 178.778 -1.772 18018 508 1 1 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.382 0.595 18018 509 1 1 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.477 -0.816 18018 510 1 1 . 1 1 101 101 ILE H H 101 8.329 8.329 7.567 0.762 18018 511 1 1 . 1 1 102 102 SER N N 102 116.172 116.172 115.854 0.318 18018 512 1 1 . 1 1 102 102 SER HA H 102 4.562 4.562 4.244 0.318 18018 513 1 1 . 1 1 102 102 SER C C 102 173.845 173.845 175.748 -1.903 18018 514 1 1 . 1 1 102 102 SER CA C 102 59.502 59.502 60.945 -1.443 18018 515 1 1 . 1 1 102 102 SER CB C 102 63.012 63.012 63.246 -0.234 18018 516 1 1 . 1 1 102 102 SER H H 102 7.882 7.882 8.203 -0.321 18018 517 1 1 . 1 1 103 103 GLU N N 103 122.642 122.642 119.327 3.315 18018 518 1 1 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.278 0.162 18018 519 1 1 . 1 1 103 103 GLU C C 103 175.095 175.095 177.159 -2.064 18018 520 1 1 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.747 -1.119 18018 521 1 1 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.094 -0.281 18018 522 1 1 . 1 1 103 103 GLU H H 103 7.735 7.735 7.877 -0.142 18018 523 1 2 . 1 1 4 4 PHE N N 4 122.548 122.548 119.736 2.812 18018 524 1 2 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.697 -0.014 18018 525 1 2 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.519 -0.912 18018 526 1 2 . 1 1 4 4 PHE CB C 4 38.895 38.895 41.122 -2.227 18018 527 1 2 . 1 1 4 4 PHE H H 4 8.328 8.328 8.345 -0.017 18018 528 1 2 . 1 1 7 7 ARG N N 7 121.962 121.962 117.625 4.337 18018 529 1 2 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.619 -0.363 18018 530 1 2 . 1 1 7 7 ARG C C 7 176.683 176.683 174.902 1.781 18018 531 1 2 . 1 1 7 7 ARG CA C 7 57.087 57.087 54.713 2.374 18018 532 1 2 . 1 1 7 7 ARG CB C 7 29.362 29.362 33.323 -3.961 18018 533 1 2 . 1 1 7 7 ARG H H 7 8.321 8.321 7.676 0.645 18018 534 1 2 . 1 1 8 8 GLU N N 8 121.095 121.095 120.423 0.672 18018 535 1 2 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.038 0.213 18018 536 1 2 . 1 1 8 8 GLU C C 8 176.964 176.964 176.136 0.828 18018 537 1 2 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.492 -0.559 18018 538 1 2 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.328 -0.473 18018 539 1 2 . 1 1 8 8 GLU H H 8 8.388 8.388 8.743 -0.355 18018 540 1 2 . 1 1 9 9 ARG N N 9 121.310 121.310 116.845 4.465 18018 541 1 2 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.893 0.447 18018 542 1 2 . 1 1 9 9 ARG C C 9 176.563 176.563 174.520 2.043 18018 543 1 2 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.950 -1.537 18018 544 1 2 . 1 1 9 9 ARG CB C 9 29.669 29.669 29.082 0.587 18018 545 1 2 . 1 1 9 9 ARG H H 9 8.268 8.268 8.742 -0.474 18018 546 1 2 . 1 1 10 10 ALA N N 10 124.224 124.224 117.875 6.349 18018 547 1 2 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.067 0.251 18018 548 1 2 . 1 1 10 10 ALA C C 10 178.129 178.129 176.622 1.507 18018 549 1 2 . 1 1 10 10 ALA CA C 10 52.947 52.947 51.900 1.047 18018 550 1 2 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.198 -2.442 18018 551 1 2 . 1 1 10 10 ALA H H 10 8.222 8.222 7.812 0.410 18018 552 1 2 . 1 1 11 11 HIS N N 11 118.081 118.081 116.345 1.736 18018 553 1 2 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.929 -0.230 18018 554 1 2 . 1 1 11 11 HIS C C 11 175.013 175.013 175.460 -0.447 18018 555 1 2 . 1 1 11 11 HIS CA C 11 56.255 56.255 55.612 0.643 18018 556 1 2 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.158 -3.391 18018 557 1 2 . 1 1 11 11 HIS H H 11 8.486 8.486 8.177 0.309 18018 558 1 2 . 1 1 12 12 GLU N N 12 121.492 121.492 119.588 1.904 18018 559 1 2 . 1 1 12 12 GLU HA H 12 4.278 4.278 3.988 0.290 18018 560 1 2 . 1 1 12 12 GLU C C 12 176.808 176.808 176.660 0.148 18018 561 1 2 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.980 -1.359 18018 562 1 2 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.501 -0.648 18018 563 1 2 . 1 1 12 12 GLU H H 12 8.370 8.370 9.307 -0.937 18018 564 1 2 . 1 1 13 13 ALA N N 13 123.583 123.583 120.838 2.745 18018 565 1 2 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.227 0.077 18018 566 1 2 . 1 1 13 13 ALA C C 13 178.197 178.197 178.767 -0.570 18018 567 1 2 . 1 1 13 13 ALA CA C 13 54.051 54.051 54.613 -0.562 18018 568 1 2 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.943 -1.155 18018 569 1 2 . 1 1 13 13 ALA H H 13 8.426 8.426 8.109 0.317 18018 570 1 2 . 1 1 14 14 LYS N N 14 119.772 119.772 119.285 0.487 18018 571 1 2 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.860 0.358 18018 572 1 2 . 1 1 14 14 LYS C C 14 176.757 176.757 177.769 -1.012 18018 573 1 2 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.641 -1.531 18018 574 1 2 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.812 -0.070 18018 575 1 2 . 1 1 14 14 LYS H H 14 8.073 8.073 8.562 -0.489 18018 576 1 2 . 1 1 15 15 PHE N N 15 118.073 118.073 114.439 3.634 18018 577 1 2 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.603 -0.159 18018 578 1 2 . 1 1 15 15 PHE C C 15 175.635 175.635 177.962 -2.327 18018 579 1 2 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.008 -1.006 18018 580 1 2 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.481 0.010 18018 581 1 2 . 1 1 15 15 PHE H H 15 7.926 7.926 7.929 -0.003 18018 582 1 2 . 1 1 16 16 ALA N N 16 122.453 122.453 123.757 -1.304 18018 583 1 2 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.065 0.241 18018 584 1 2 . 1 1 16 16 ALA C C 16 177.641 177.641 178.900 -1.259 18018 585 1 2 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.489 -1.437 18018 586 1 2 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.025 -0.004 18018 587 1 2 . 1 1 16 16 ALA H H 16 8.137 8.137 7.637 0.500 18018 588 1 2 . 1 1 17 17 HIS N N 17 115.587 115.587 115.435 0.152 18018 589 1 2 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.324 0.501 18018 590 1 2 . 1 1 17 17 HIS CA C 17 55.095 55.095 57.954 -2.859 18018 591 1 2 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.604 -0.646 18018 592 1 2 . 1 1 17 17 HIS H H 17 8.051 8.051 7.881 0.170 18018 593 1 2 . 1 1 18 18 ASP N N 18 121.432 121.432 118.281 3.151 18018 594 1 2 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.350 0.440 18018 595 1 2 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.678 -2.096 18018 596 1 2 . 1 1 18 18 ASP CB C 18 40.787 40.787 39.748 1.039 18018 597 1 2 . 1 1 18 18 ASP H H 18 7.913 7.913 7.989 -0.076 18018 598 1 2 . 1 1 19 19 ALA N N 19 126.983 126.983 123.039 3.944 18018 599 1 2 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.852 0.444 18018 600 1 2 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.728 -0.681 18018 601 1 2 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.513 0.346 18018 602 1 2 . 1 1 19 19 ALA H H 19 8.599 8.599 8.485 0.114 18018 603 1 2 . 1 1 20 20 GLU N N 20 119.997 119.997 120.343 -0.346 18018 604 1 2 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.228 0.101 18018 605 1 2 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.025 -0.647 18018 606 1 2 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.846 -0.969 18018 607 1 2 . 1 1 20 20 GLU H H 20 8.377 8.377 8.081 0.296 18018 608 1 2 . 1 1 21 21 LEU N N 21 122.484 122.484 121.101 1.383 18018 609 1 2 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.285 -0.122 18018 610 1 2 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.924 -1.799 18018 611 1 2 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.774 -0.744 18018 612 1 2 . 1 1 21 21 LEU H H 21 8.117 8.117 7.677 0.440 18018 613 1 2 . 1 1 22 22 ASN N N 22 117.879 117.879 118.072 -0.193 18018 614 1 2 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.422 0.270 18018 615 1 2 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.408 -0.070 18018 616 1 2 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.809 2.329 18018 617 1 2 . 1 1 22 22 ASN H H 22 8.507 8.507 8.283 0.224 18018 618 1 2 . 1 1 23 23 PHE N N 23 121.096 121.096 121.642 -0.546 18018 619 1 2 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.461 0.002 18018 620 1 2 . 1 1 23 23 PHE CA C 23 60.239 60.239 59.647 0.592 18018 621 1 2 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.203 -1.171 18018 622 1 2 . 1 1 23 23 PHE H H 23 8.465 8.465 8.476 -0.011 18018 623 1 2 . 1 1 24 24 LYS N N 24 120.580 120.580 120.198 0.382 18018 624 1 2 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.790 0.381 18018 625 1 2 . 1 1 24 24 LYS C C 24 179.309 179.309 178.928 0.381 18018 626 1 2 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.921 0.120 18018 627 1 2 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.921 0.466 18018 628 1 2 . 1 1 24 24 LYS H H 24 8.427 8.427 8.562 -0.135 18018 629 1 2 . 1 1 25 25 ALA N N 25 123.682 123.682 122.380 1.302 18018 630 1 2 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.037 0.084 18018 631 1 2 . 1 1 25 25 ALA C C 25 178.243 178.243 179.063 -0.820 18018 632 1 2 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.117 -0.652 18018 633 1 2 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.345 -0.646 18018 634 1 2 . 1 1 25 25 ALA H H 25 8.768 8.768 8.448 0.320 18018 635 1 2 . 1 1 26 26 GLU N N 26 122.051 122.051 119.579 2.472 18018 636 1 2 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.956 0.065 18018 637 1 2 . 1 1 26 26 GLU C C 26 177.265 177.265 178.477 -1.212 18018 638 1 2 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.475 -1.014 18018 639 1 2 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.559 -0.797 18018 640 1 2 . 1 1 26 26 GLU H H 26 8.532 8.532 7.748 0.784 18018 641 1 2 . 1 1 27 27 ALA N N 27 122.124 122.124 119.442 2.682 18018 642 1 2 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.157 0.168 18018 643 1 2 . 1 1 27 27 ALA C C 27 180.552 180.552 180.052 0.500 18018 644 1 2 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.437 -0.268 18018 645 1 2 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.264 -1.155 18018 646 1 2 . 1 1 27 27 ALA H H 27 8.048 8.048 7.531 0.517 18018 647 1 2 . 1 1 28 28 ARG N N 28 120.501 120.501 118.907 1.594 18018 648 1 2 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.061 0.351 18018 649 1 2 . 1 1 28 28 ARG C C 28 176.309 176.309 178.698 -2.389 18018 650 1 2 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.363 -2.394 18018 651 1 2 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.955 -3.040 18018 652 1 2 . 1 1 28 28 ARG H H 28 8.046 8.046 7.791 0.255 18018 653 1 2 . 1 1 29 29 ARG N N 29 122.842 122.842 118.424 4.418 18018 654 1 2 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.976 -0.278 18018 655 1 2 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.779 -0.363 18018 656 1 2 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.610 -1.462 18018 657 1 2 . 1 1 29 29 ARG H H 29 8.908 8.908 8.188 0.720 18018 658 1 2 . 1 1 30 30 ASN N N 30 120.150 120.150 117.221 2.929 18018 659 1 2 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.513 0.121 18018 660 1 2 . 1 1 30 30 ASN C C 30 175.888 175.888 177.502 -1.614 18018 661 1 2 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.987 -0.580 18018 662 1 2 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.189 -2.254 18018 663 1 2 . 1 1 30 30 ASN H H 30 8.402 8.402 7.806 0.596 18018 664 1 2 . 1 1 31 31 ARG N N 31 123.400 123.400 121.168 2.232 18018 665 1 2 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.251 0.031 18018 666 1 2 . 1 1 31 31 ARG C C 31 177.804 177.804 178.697 -0.893 18018 667 1 2 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.347 -0.397 18018 668 1 2 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.055 -0.934 18018 669 1 2 . 1 1 31 31 ARG H H 31 7.996 7.996 7.632 0.364 18018 670 1 2 . 1 1 32 32 LEU N N 32 119.872 119.872 119.645 0.227 18018 671 1 2 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.017 0.274 18018 672 1 2 . 1 1 32 32 LEU C C 32 180.602 180.602 179.490 1.112 18018 673 1 2 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.853 -0.607 18018 674 1 2 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.613 -0.443 18018 675 1 2 . 1 1 32 32 LEU H H 32 8.742 8.742 7.658 1.084 18018 676 1 2 . 1 1 33 33 LEU N N 33 124.468 124.468 118.870 5.598 18018 677 1 2 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.153 0.148 18018 678 1 2 . 1 1 33 33 LEU C C 33 177.992 177.992 179.339 -1.347 18018 679 1 2 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.760 -0.745 18018 680 1 2 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.662 0.577 18018 681 1 2 . 1 1 33 33 LEU H H 33 9.249 9.249 7.585 1.664 18018 682 1 2 . 1 1 34 34 GLY N N 34 109.045 109.045 107.724 1.321 18018 683 1 2 . 1 1 34 34 GLY C C 34 174.530 174.530 176.181 -1.651 18018 684 1 2 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.585 -0.138 18018 685 1 2 . 1 1 34 34 GLY H H 34 8.873 8.873 8.296 0.577 18018 686 1 2 . 1 1 35 35 GLU N N 35 123.414 123.414 121.704 1.710 18018 687 1 2 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.182 -0.005 18018 688 1 2 . 1 1 35 35 GLU C C 35 178.866 178.866 179.187 -0.321 18018 689 1 2 . 1 1 35 35 GLU CA C 35 59.031 59.031 59.374 -0.343 18018 690 1 2 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.350 -0.387 18018 691 1 2 . 1 1 35 35 GLU H H 35 8.920 8.920 8.598 0.322 18018 692 1 2 . 1 1 36 36 TRP N N 36 124.774 124.774 121.960 2.814 18018 693 1 2 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.323 0.260 18018 694 1 2 . 1 1 36 36 TRP C C 36 177.618 177.618 178.016 -0.398 18018 695 1 2 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.583 -0.965 18018 696 1 2 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.337 -2.743 18018 697 1 2 . 1 1 36 36 TRP H H 36 8.510 8.510 7.666 0.844 18018 698 1 2 . 1 1 37 37 ALA N N 37 123.777 123.777 121.222 2.555 18018 699 1 2 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.103 0.274 18018 700 1 2 . 1 1 37 37 ALA C C 37 177.427 177.427 178.909 -1.482 18018 701 1 2 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.347 -0.498 18018 702 1 2 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.582 1.464 18018 703 1 2 . 1 1 37 37 ALA H H 37 9.122 9.122 8.540 0.582 18018 704 1 2 . 1 1 38 38 ALA N N 38 119.259 119.259 120.823 -1.564 18018 705 1 2 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.293 0.201 18018 706 1 2 . 1 1 38 38 ALA C C 38 178.670 178.670 179.023 -0.353 18018 707 1 2 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.838 -0.395 18018 708 1 2 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.137 -0.449 18018 709 1 2 . 1 1 38 38 ALA H H 38 8.772 8.772 8.416 0.356 18018 710 1 2 . 1 1 39 39 GLY N N 39 104.027 104.027 103.587 0.440 18018 711 1 2 . 1 1 39 39 GLY C C 39 177.232 177.232 175.514 1.718 18018 712 1 2 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.887 0.535 18018 713 1 2 . 1 1 39 39 GLY H H 39 7.733 7.733 7.865 -0.132 18018 714 1 2 . 1 1 40 40 LEU N N 40 125.448 125.448 120.062 5.386 18018 715 1 2 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.243 -0.158 18018 716 1 2 . 1 1 40 40 LEU C C 40 178.203 178.203 177.136 1.067 18018 717 1 2 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.501 1.217 18018 718 1 2 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.419 -1.080 18018 719 1 2 . 1 1 40 40 LEU H H 40 7.492 7.492 7.320 0.172 18018 720 1 2 . 1 1 41 41 LEU N N 41 117.234 117.234 115.407 1.827 18018 721 1 2 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.020 0.087 18018 722 1 2 . 1 1 41 41 LEU C C 41 176.119 176.119 177.936 -1.817 18018 723 1 2 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.877 -1.995 18018 724 1 2 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.143 -0.490 18018 725 1 2 . 1 1 41 41 LEU H H 41 7.676 7.676 7.605 0.071 18018 726 1 2 . 1 1 42 42 GLY N N 42 109.595 109.595 105.814 3.781 18018 727 1 2 . 1 1 42 42 GLY C C 42 173.775 173.775 173.028 0.747 18018 728 1 2 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.585 0.663 18018 729 1 2 . 1 1 42 42 GLY H H 42 7.869 7.869 8.047 -0.178 18018 730 1 2 . 1 1 43 43 LYS N N 43 119.965 119.965 120.568 -0.603 18018 731 1 2 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.684 0.028 18018 732 1 2 . 1 1 43 43 LYS C C 43 175.246 175.246 174.436 0.810 18018 733 1 2 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.026 -0.256 18018 734 1 2 . 1 1 43 43 LYS CB C 43 33.771 33.771 34.745 -0.974 18018 735 1 2 . 1 1 43 43 LYS H H 43 8.079 8.079 7.996 0.083 18018 736 1 2 . 1 1 44 44 THR N N 44 114.199 114.199 110.779 3.420 18018 737 1 2 . 1 1 44 44 THR HA H 44 4.749 4.749 4.537 0.212 18018 738 1 2 . 1 1 44 44 THR C C 44 174.392 174.392 175.495 -1.103 18018 739 1 2 . 1 1 44 44 THR CA C 44 58.992 58.992 60.697 -1.706 18018 740 1 2 . 1 1 44 44 THR CB C 44 71.762 71.762 71.551 0.211 18018 741 1 2 . 1 1 44 44 THR H H 44 8.934 8.934 8.134 0.800 18018 742 1 2 . 1 1 45 45 GLY N N 45 109.657 109.657 110.049 -0.392 18018 743 1 2 . 1 1 45 45 GLY C C 45 175.330 175.330 174.528 0.802 18018 744 1 2 . 1 1 45 45 GLY CA C 45 46.145 46.145 47.162 -1.017 18018 745 1 2 . 1 1 45 45 GLY H H 45 8.862 8.862 8.637 0.225 18018 746 1 2 . 1 1 46 46 ASP N N 46 128.403 128.403 122.394 6.009 18018 747 1 2 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.718 -0.185 18018 748 1 2 . 1 1 46 46 ASP C C 46 177.343 177.343 177.583 -0.240 18018 749 1 2 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.706 1.779 18018 750 1 2 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.242 -2.364 18018 751 1 2 . 1 1 46 46 ASP H H 46 9.283 9.283 8.047 1.236 18018 752 1 2 . 1 1 47 47 ASP N N 47 121.367 121.367 121.756 -0.389 18018 753 1 2 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.389 0.247 18018 754 1 2 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.479 -1.339 18018 755 1 2 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.972 -0.996 18018 756 1 2 . 1 1 47 47 ASP H H 47 8.488 8.488 8.107 0.381 18018 757 1 2 . 1 1 48 48 ALA N N 48 123.210 123.210 121.300 1.910 18018 758 1 2 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.003 -0.086 18018 759 1 2 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.915 -0.868 18018 760 1 2 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.788 -2.147 18018 761 1 2 . 1 1 48 48 ALA H H 48 7.235 7.235 7.734 -0.499 18018 762 1 2 . 1 1 49 49 ARG N N 49 120.088 120.088 119.353 0.735 18018 763 1 2 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.000 0.108 18018 764 1 2 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.380 -0.680 18018 765 1 2 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.157 -0.592 18018 766 1 2 . 1 1 49 49 ARG H H 49 7.777 7.777 7.716 0.061 18018 767 1 2 . 1 1 50 50 ALA N N 50 120.988 120.988 122.201 -1.213 18018 768 1 2 . 1 1 50 50 ALA HA H 50 4.191 4.191 3.999 0.192 18018 769 1 2 . 1 1 50 50 ALA CA C 50 54.083 54.083 55.119 -1.036 18018 770 1 2 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.006 -0.727 18018 771 1 2 . 1 1 50 50 ALA H H 50 8.350 8.350 7.551 0.799 18018 772 1 2 . 1 1 51 51 TYR N N 51 119.264 119.264 120.518 -1.254 18018 773 1 2 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.134 0.067 18018 774 1 2 . 1 1 51 51 TYR C C 51 178.335 178.335 177.854 0.481 18018 775 1 2 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.553 -0.466 18018 776 1 2 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.326 -0.486 18018 777 1 2 . 1 1 51 51 TYR H H 51 8.054 8.054 7.571 0.483 18018 778 1 2 . 1 1 52 52 ALA N N 52 124.002 124.002 120.797 3.205 18018 779 1 2 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.118 -0.251 18018 780 1 2 . 1 1 52 52 ALA C C 52 178.352 178.352 179.338 -0.986 18018 781 1 2 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.814 0.256 18018 782 1 2 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.614 -1.780 18018 783 1 2 . 1 1 52 52 ALA H H 52 8.611 8.611 8.114 0.497 18018 784 1 2 . 1 1 53 53 LEU N N 53 116.323 116.323 115.702 0.621 18018 785 1 2 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.222 0.062 18018 786 1 2 . 1 1 53 53 LEU C C 53 177.452 177.452 179.311 -1.859 18018 787 1 2 . 1 1 53 53 LEU CA C 53 55.862 55.862 56.773 -0.911 18018 788 1 2 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.249 -0.974 18018 789 1 2 . 1 1 53 53 LEU H H 53 7.591 7.591 7.939 -0.348 18018 790 1 2 . 1 1 54 54 THR N N 54 110.782 110.782 112.411 -1.629 18018 791 1 2 . 1 1 54 54 THR HA H 54 4.392 4.392 4.036 0.356 18018 792 1 2 . 1 1 54 54 THR CA C 54 62.390 62.390 65.288 -2.898 18018 793 1 2 . 1 1 54 54 THR H H 54 7.947 7.947 7.852 0.095 18018 794 1 2 . 1 1 55 55 VAL N N 55 123.763 123.763 119.945 3.818 18018 795 1 2 . 1 1 55 55 VAL HA H 55 3.882 3.882 3.941 -0.059 18018 796 1 2 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.208 0.536 18018 797 1 2 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.866 -1.994 18018 798 1 2 . 1 1 55 55 VAL H H 55 7.171 7.171 7.190 -0.019 18018 799 1 2 . 1 1 56 56 VAL N N 56 118.917 118.917 120.225 -1.308 18018 800 1 2 . 1 1 56 56 VAL HA H 56 4.390 4.390 3.909 0.481 18018 801 1 2 . 1 1 56 56 VAL CA C 56 60.780 60.780 63.910 -3.130 18018 802 1 2 . 1 1 56 56 VAL CB C 56 33.490 33.490 31.910 1.580 18018 803 1 2 . 1 1 56 56 VAL H H 56 7.409 7.409 7.249 0.160 18018 804 1 2 . 1 1 57 57 THR N N 57 115.599 115.599 108.503 7.096 18018 805 1 2 . 1 1 57 57 THR HA H 57 4.532 4.532 4.031 0.501 18018 806 1 2 . 1 1 57 57 THR CA C 57 60.614 60.614 63.701 -3.087 18018 807 1 2 . 1 1 57 57 THR CB C 57 68.892 68.892 68.063 0.829 18018 808 1 2 . 1 1 57 57 THR H H 57 7.916 7.916 8.245 -0.329 18018 809 1 2 . 1 1 58 58 SER N N 58 120.007 120.007 115.511 4.496 18018 810 1 2 . 1 1 58 58 SER HA H 58 4.547 4.547 4.275 0.272 18018 811 1 2 . 1 1 58 58 SER CA C 58 57.770 57.770 60.069 -2.299 18018 812 1 2 . 1 1 58 58 SER CB C 58 63.162 63.162 63.355 -0.193 18018 813 1 2 . 1 1 58 58 SER H H 58 8.580 8.580 8.123 0.457 18018 814 1 2 . 1 1 59 59 ASP N N 59 122.731 122.731 116.978 5.753 18018 815 1 2 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.641 0.049 18018 816 1 2 . 1 1 59 59 ASP CA C 59 53.456 53.456 53.148 0.309 18018 817 1 2 . 1 1 59 59 ASP CB C 59 40.748 40.748 42.375 -1.627 18018 818 1 2 . 1 1 59 59 ASP H H 59 8.399 8.399 7.624 0.775 18018 819 1 2 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.915 -0.747 18018 820 1 2 . 1 1 60 60 PHE CA C 60 60.054 60.054 57.174 2.880 18018 821 1 2 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.782 -4.969 18018 822 1 2 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.359 0.237 18018 823 1 2 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.938 0.010 18018 824 1 2 . 1 1 63 63 PRO CB C 63 31.527 31.527 31.303 0.224 18018 825 1 2 . 1 1 64 64 GLY N N 64 110.688 110.688 111.715 -1.027 18018 826 1 2 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.133 0.537 18018 827 1 2 . 1 1 64 64 GLY H H 64 8.725 8.725 7.905 0.820 18018 828 1 2 . 1 1 65 65 ASP N N 65 122.028 122.028 121.308 0.720 18018 829 1 2 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.413 0.250 18018 830 1 2 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.649 0.116 18018 831 1 2 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.312 -0.850 18018 832 1 2 . 1 1 65 65 ASP H H 65 8.649 8.649 8.643 0.006 18018 833 1 2 . 1 1 67 67 ASP N N 67 120.095 120.095 121.908 -1.813 18018 834 1 2 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.789 -0.208 18018 835 1 2 . 1 1 67 67 ASP CA C 67 56.553 56.553 55.003 1.550 18018 836 1 2 . 1 1 67 67 ASP CB C 67 39.871 39.871 42.487 -2.616 18018 837 1 2 . 1 1 67 67 ASP H H 67 8.181 8.181 8.679 -0.498 18018 838 1 2 . 1 1 68 68 VAL N N 68 123.206 123.206 121.779 1.427 18018 839 1 2 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.755 0.062 18018 840 1 2 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.246 0.469 18018 841 1 2 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.672 -0.247 18018 842 1 2 . 1 1 68 68 VAL H H 68 8.014 8.014 8.347 -0.333 18018 843 1 2 . 1 1 69 69 PHE N N 69 120.318 120.318 121.042 -0.724 18018 844 1 2 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.139 -0.017 18018 845 1 2 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.978 -0.236 18018 846 1 2 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.746 -0.505 18018 847 1 2 . 1 1 69 69 PHE H H 69 8.501 8.501 8.350 0.151 18018 848 1 2 . 1 1 70 70 ARG N N 70 117.820 117.820 119.299 -1.479 18018 849 1 2 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.821 -0.109 18018 850 1 2 . 1 1 70 70 ARG C C 70 178.813 178.813 178.557 0.256 18018 851 1 2 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.260 -0.414 18018 852 1 2 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.427 0.355 18018 853 1 2 . 1 1 70 70 ARG H H 70 8.598 8.598 8.791 -0.193 18018 854 1 2 . 1 1 71 71 LYS N N 71 121.726 121.726 119.001 2.725 18018 855 1 2 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.085 0.138 18018 856 1 2 . 1 1 71 71 LYS C C 71 177.020 177.020 178.090 -1.070 18018 857 1 2 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.555 -0.065 18018 858 1 2 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.255 -0.369 18018 859 1 2 . 1 1 71 71 LYS H H 71 7.658 7.658 7.442 0.216 18018 860 1 2 . 1 1 72 72 LEU N N 72 119.355 119.355 119.225 0.130 18018 861 1 2 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.148 -0.123 18018 862 1 2 . 1 1 72 72 LEU C C 72 177.378 177.378 178.311 -0.933 18018 863 1 2 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.286 -0.300 18018 864 1 2 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.788 0.058 18018 865 1 2 . 1 1 72 72 LEU H H 72 8.173 8.173 7.463 0.710 18018 866 1 2 . 1 1 73 73 ALA N N 73 121.169 121.169 121.645 -0.476 18018 867 1 2 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.809 -0.077 18018 868 1 2 . 1 1 73 73 ALA C C 73 179.644 179.644 178.352 1.292 18018 869 1 2 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.516 -0.692 18018 870 1 2 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.157 -1.621 18018 871 1 2 . 1 1 73 73 ALA H H 73 9.151 9.151 8.153 0.998 18018 872 1 2 . 1 1 74 74 ALA N N 74 119.383 119.383 116.787 2.596 18018 873 1 2 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.235 0.128 18018 874 1 2 . 1 1 74 74 ALA C C 74 179.752 179.752 177.791 1.961 18018 875 1 2 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.165 0.359 18018 876 1 2 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.762 -1.117 18018 877 1 2 . 1 1 74 74 ALA H H 74 7.379 7.379 7.516 -0.137 18018 878 1 2 . 1 1 75 75 ASP N N 75 120.226 120.226 118.829 1.397 18018 879 1 2 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.702 -0.207 18018 880 1 2 . 1 1 75 75 ASP C C 75 177.704 177.704 177.997 -0.293 18018 881 1 2 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.874 0.113 18018 882 1 2 . 1 1 75 75 ASP CB C 75 38.944 38.944 42.567 -3.623 18018 883 1 2 . 1 1 75 75 ASP H H 75 8.474 8.474 7.732 0.742 18018 884 1 2 . 1 1 76 76 LEU N N 76 115.468 115.468 120.175 -4.707 18018 885 1 2 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.378 0.014 18018 886 1 2 . 1 1 76 76 LEU C C 76 174.790 174.790 175.621 -0.831 18018 887 1 2 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.528 0.096 18018 888 1 2 . 1 1 76 76 LEU CB C 76 40.199 40.199 38.701 1.498 18018 889 1 2 . 1 1 76 76 LEU H H 76 8.599 8.599 8.123 0.476 18018 890 1 2 . 1 1 77 77 GLU N N 77 124.833 124.833 122.167 2.666 18018 891 1 2 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.128 0.212 18018 892 1 2 . 1 1 77 77 GLU C C 77 176.953 176.953 177.296 -0.343 18018 893 1 2 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.270 1.041 18018 894 1 2 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.776 -0.161 18018 895 1 2 . 1 1 77 77 GLU H H 77 7.115 7.115 7.363 -0.248 18018 896 1 2 . 1 1 78 78 GLY N N 78 118.193 118.193 112.737 5.456 18018 897 1 2 . 1 1 78 78 GLY C C 78 173.075 173.075 174.571 -1.496 18018 898 1 2 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.822 -0.717 18018 899 1 2 . 1 1 78 78 GLY H H 78 9.371 9.371 8.411 0.960 18018 900 1 2 . 1 1 79 79 LYS N N 79 120.237 120.237 118.826 1.411 18018 901 1 2 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.468 0.163 18018 902 1 2 . 1 1 79 79 LYS C C 79 175.050 175.050 175.305 -0.255 18018 903 1 2 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.018 -0.793 18018 904 1 2 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.779 -0.717 18018 905 1 2 . 1 1 79 79 LYS H H 79 8.799 8.799 8.346 0.453 18018 906 1 2 . 1 1 80 80 ALA N N 80 121.135 121.135 121.373 -0.238 18018 907 1 2 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.643 0.221 18018 908 1 2 . 1 1 80 80 ALA C C 80 174.051 174.051 174.790 -0.739 18018 909 1 2 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.544 -0.673 18018 910 1 2 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.940 -0.813 18018 911 1 2 . 1 1 80 80 ALA H H 80 8.126 8.126 7.728 0.398 18018 912 1 2 . 1 1 81 81 ASP N N 81 121.569 121.569 122.271 -0.702 18018 913 1 2 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.919 -0.051 18018 914 1 2 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.150 -2.181 18018 915 1 2 . 1 1 81 81 ASP CB C 81 41.286 41.286 43.323 -2.037 18018 916 1 2 . 1 1 81 81 ASP H H 81 8.283 8.283 8.456 -0.173 18018 917 1 2 . 1 1 82 82 GLU N N 82 120.044 120.044 121.100 -1.056 18018 918 1 2 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.341 -0.175 18018 919 1 2 . 1 1 82 82 GLU C C 82 177.350 177.350 178.821 -1.471 18018 920 1 2 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.385 -0.167 18018 921 1 2 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.914 -1.289 18018 922 1 2 . 1 1 82 82 GLU H H 82 8.891 8.891 8.768 0.123 18018 923 1 2 . 1 1 83 83 GLU N N 83 119.348 119.348 115.624 3.724 18018 924 1 2 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.143 0.004 18018 925 1 2 . 1 1 83 83 GLU C C 83 178.794 178.794 177.472 1.322 18018 926 1 2 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.542 0.540 18018 927 1 2 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.489 -1.114 18018 928 1 2 . 1 1 83 83 GLU H H 83 8.827 8.827 8.844 -0.017 18018 929 1 2 . 1 1 84 84 THR N N 84 119.678 119.678 113.358 6.320 18018 930 1 2 . 1 1 84 84 THR HA H 84 4.131 4.131 4.508 -0.377 18018 931 1 2 . 1 1 84 84 THR C C 84 176.165 176.165 175.523 0.642 18018 932 1 2 . 1 1 84 84 THR CA C 84 66.422 66.422 64.379 2.043 18018 933 1 2 . 1 1 84 84 THR CB C 84 65.645 65.645 70.905 -5.260 18018 934 1 2 . 1 1 84 84 THR H H 84 8.552 8.552 7.709 0.843 18018 935 1 2 . 1 1 85 85 ILE N N 85 123.677 123.677 123.339 0.338 18018 936 1 2 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.747 0.072 18018 937 1 2 . 1 1 85 85 ILE C C 85 174.809 174.809 177.869 -3.060 18018 938 1 2 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.498 -0.915 18018 939 1 2 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.876 0.614 18018 940 1 2 . 1 1 85 85 ILE H H 85 8.571 8.571 9.064 -0.493 18018 941 1 2 . 1 1 86 86 ARG N N 86 119.556 119.556 119.205 0.351 18018 942 1 2 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.088 0.083 18018 943 1 2 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.689 -0.070 18018 944 1 2 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.759 -0.901 18018 945 1 2 . 1 1 86 86 ARG H H 86 9.093 9.093 8.123 0.970 18018 946 1 2 . 1 1 87 87 ALA N N 87 121.431 121.431 122.950 -1.519 18018 947 1 2 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.026 0.262 18018 948 1 2 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.201 -1.046 18018 949 1 2 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.071 -0.999 18018 950 1 2 . 1 1 87 87 ALA H H 87 8.206 8.206 7.835 0.371 18018 951 1 2 . 1 1 88 88 LYS N N 88 122.850 122.850 118.550 4.300 18018 952 1 2 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.822 0.160 18018 953 1 2 . 1 1 88 88 LYS CA C 88 55.873 55.873 59.096 -3.223 18018 954 1 2 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.866 -2.043 18018 955 1 2 . 1 1 88 88 LYS H H 88 8.145 8.145 7.880 0.265 18018 956 1 2 . 1 1 89 89 MET N N 89 118.786 118.786 120.009 -1.223 18018 957 1 2 . 1 1 89 89 MET HA H 89 3.810 3.810 4.042 -0.232 18018 958 1 2 . 1 1 89 89 MET CA C 89 60.096 60.096 59.040 1.056 18018 959 1 2 . 1 1 89 89 MET CB C 89 32.329 32.329 32.643 -0.314 18018 960 1 2 . 1 1 89 89 MET H H 89 8.468 8.468 8.119 0.349 18018 961 1 2 . 1 1 90 90 VAL N N 90 120.770 120.770 119.604 1.166 18018 962 1 2 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.644 0.183 18018 963 1 2 . 1 1 90 90 VAL C C 90 178.017 178.017 178.232 -0.215 18018 964 1 2 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.654 -1.029 18018 965 1 2 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.071 0.668 18018 966 1 2 . 1 1 90 90 VAL H H 90 7.504 7.504 8.080 -0.576 18018 967 1 2 . 1 1 91 91 GLU N N 91 124.409 124.409 119.095 5.314 18018 968 1 2 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.122 -0.334 18018 969 1 2 . 1 1 91 91 GLU C C 91 177.612 177.612 177.848 -0.236 18018 970 1 2 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.684 -0.271 18018 971 1 2 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.462 1.982 18018 972 1 2 . 1 1 91 91 GLU H H 91 8.486 8.486 8.269 0.217 18018 973 1 2 . 1 1 92 92 LEU N N 92 114.680 114.680 117.803 -3.123 18018 974 1 2 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.478 -0.088 18018 975 1 2 . 1 1 92 92 LEU C C 92 177.928 177.928 178.135 -0.207 18018 976 1 2 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.010 0.624 18018 977 1 2 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.697 -2.356 18018 978 1 2 . 1 1 92 92 LEU H H 92 8.823 8.823 7.589 1.234 18018 979 1 2 . 1 1 93 93 ARG N N 93 123.603 123.603 121.479 2.124 18018 980 1 2 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.026 -0.083 18018 981 1 2 . 1 1 93 93 ARG C C 93 176.350 176.350 177.911 -1.561 18018 982 1 2 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.750 0.831 18018 983 1 2 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.935 -1.032 18018 984 1 2 . 1 1 93 93 ARG H H 93 7.690 7.690 8.489 -0.799 18018 985 1 2 . 1 1 94 94 ALA N N 94 122.480 122.480 119.343 3.137 18018 986 1 2 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.124 0.137 18018 987 1 2 . 1 1 94 94 ALA C C 94 179.805 179.805 179.626 0.179 18018 988 1 2 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.962 -0.433 18018 989 1 2 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.019 -1.083 18018 990 1 2 . 1 1 94 94 ALA H H 94 7.269 7.269 7.643 -0.374 18018 991 1 2 . 1 1 95 95 THR N N 95 116.936 116.936 114.216 2.720 18018 992 1 2 . 1 1 95 95 THR HA H 95 4.045 4.045 4.043 0.002 18018 993 1 2 . 1 1 95 95 THR C C 95 175.007 175.007 176.057 -1.050 18018 994 1 2 . 1 1 95 95 THR CA C 95 65.569 65.569 66.143 -0.574 18018 995 1 2 . 1 1 95 95 THR CB C 95 68.334 68.334 68.588 -0.254 18018 996 1 2 . 1 1 95 95 THR H H 95 8.282 8.282 7.958 0.324 18018 997 1 2 . 1 1 96 96 ALA N N 96 124.095 124.095 122.594 1.501 18018 998 1 2 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.345 -0.483 18018 999 1 2 . 1 1 96 96 ALA C C 96 178.184 178.184 179.055 -0.871 18018 1000 1 2 . 1 1 96 96 ALA CA C 96 54.749 54.749 53.168 1.581 18018 1001 1 2 . 1 1 96 96 ALA CB C 96 18.770 18.770 17.916 0.854 18018 1002 1 2 . 1 1 96 96 ALA H H 96 8.681 8.681 7.990 0.691 18018 1003 1 2 . 1 1 97 97 ARG N N 97 117.328 117.328 119.721 -2.393 18018 1004 1 2 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.189 -0.403 18018 1005 1 2 . 1 1 97 97 ARG C C 97 176.770 176.770 178.187 -1.417 18018 1006 1 2 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.171 0.390 18018 1007 1 2 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.475 -0.859 18018 1008 1 2 . 1 1 97 97 ARG H H 97 8.070 8.070 7.541 0.529 18018 1009 1 2 . 1 1 98 98 GLU N N 98 118.245 118.245 120.451 -2.206 18018 1010 1 2 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.051 0.064 18018 1011 1 2 . 1 1 98 98 GLU C C 98 178.865 178.865 179.099 -0.234 18018 1012 1 2 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.295 -0.806 18018 1013 1 2 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.395 -0.883 18018 1014 1 2 . 1 1 98 98 GLU H H 98 7.855 7.855 7.827 0.028 18018 1015 1 2 . 1 1 99 99 GLN N N 99 119.735 119.735 117.468 2.267 18018 1016 1 2 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.047 0.124 18018 1017 1 2 . 1 1 99 99 GLN C C 99 178.146 178.146 177.958 0.188 18018 1018 1 2 . 1 1 99 99 GLN CA C 99 58.245 58.245 57.696 0.549 18018 1019 1 2 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.288 -1.194 18018 1020 1 2 . 1 1 99 99 GLN H H 99 8.312 8.312 8.234 0.078 18018 1021 1 2 . 1 1 100 100 ILE N N 100 119.864 119.864 119.226 0.638 18018 1022 1 2 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.743 0.207 18018 1023 1 2 . 1 1 100 100 ILE C C 100 178.315 178.315 178.433 -0.118 18018 1024 1 2 . 1 1 100 100 ILE CA C 100 61.604 61.604 62.882 -1.278 18018 1025 1 2 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.341 -1.845 18018 1026 1 2 . 1 1 100 100 ILE H H 100 8.445 8.445 7.720 0.725 18018 1027 1 2 . 1 1 101 101 ILE N N 101 120.514 120.514 119.668 0.846 18018 1028 1 2 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.768 0.244 18018 1029 1 2 . 1 1 101 101 ILE C C 101 177.006 177.006 178.686 -1.680 18018 1030 1 2 . 1 1 101 101 ILE CA C 101 62.977 62.977 63.474 -0.497 18018 1031 1 2 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.684 -0.023 18018 1032 1 2 . 1 1 101 101 ILE H H 101 8.329 8.329 7.878 0.451 18018 1033 1 2 . 1 1 102 102 SER N N 102 116.172 116.172 114.804 1.368 18018 1034 1 2 . 1 1 102 102 SER HA H 102 4.562 4.562 4.281 0.281 18018 1035 1 2 . 1 1 102 102 SER C C 102 173.845 173.845 175.386 -1.541 18018 1036 1 2 . 1 1 102 102 SER CA C 102 59.502 59.502 60.587 -1.085 18018 1037 1 2 . 1 1 102 102 SER CB C 102 63.012 63.012 63.149 -0.137 18018 1038 1 2 . 1 1 102 102 SER H H 102 7.882 7.882 7.846 0.036 18018 1039 1 2 . 1 1 103 103 GLU N N 103 122.642 122.642 119.858 2.784 18018 1040 1 2 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.277 0.163 18018 1041 1 2 . 1 1 103 103 GLU C C 103 175.095 175.095 176.657 -1.562 18018 1042 1 2 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.253 -0.625 18018 1043 1 2 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.361 -0.548 18018 1044 1 2 . 1 1 103 103 GLU H H 103 7.735 7.735 7.570 0.165 18018 1045 1 3 . 1 1 4 4 PHE N N 4 122.548 122.548 122.519 0.029 18018 1046 1 3 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.442 0.241 18018 1047 1 3 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.291 -0.684 18018 1048 1 3 . 1 1 4 4 PHE CB C 4 38.895 38.895 39.552 -0.657 18018 1049 1 3 . 1 1 4 4 PHE H H 4 8.328 8.328 7.690 0.638 18018 1050 1 3 . 1 1 7 7 ARG N N 7 121.962 121.962 118.017 3.945 18018 1051 1 3 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.403 -0.147 18018 1052 1 3 . 1 1 7 7 ARG C C 7 176.683 176.683 174.838 1.845 18018 1053 1 3 . 1 1 7 7 ARG CA C 7 57.087 57.087 54.809 2.278 18018 1054 1 3 . 1 1 7 7 ARG CB C 7 29.362 29.362 33.419 -4.056 18018 1055 1 3 . 1 1 7 7 ARG H H 7 8.321 8.321 7.510 0.811 18018 1056 1 3 . 1 1 8 8 GLU N N 8 121.095 121.095 120.047 1.048 18018 1057 1 3 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.040 0.211 18018 1058 1 3 . 1 1 8 8 GLU C C 8 176.964 176.964 175.706 1.258 18018 1059 1 3 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.020 -0.087 18018 1060 1 3 . 1 1 8 8 GLU CB C 8 28.855 28.855 30.151 -1.296 18018 1061 1 3 . 1 1 8 8 GLU H H 8 8.388 8.388 8.627 -0.239 18018 1062 1 3 . 1 1 9 9 ARG N N 9 121.310 121.310 117.042 4.268 18018 1063 1 3 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.894 0.446 18018 1064 1 3 . 1 1 9 9 ARG C C 9 176.563 176.563 175.713 0.850 18018 1065 1 3 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.516 -1.103 18018 1066 1 3 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.399 1.270 18018 1067 1 3 . 1 1 9 9 ARG H H 9 8.268 8.268 8.694 -0.426 18018 1068 1 3 . 1 1 10 10 ALA N N 10 124.224 124.224 117.947 6.277 18018 1069 1 3 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.135 0.183 18018 1070 1 3 . 1 1 10 10 ALA C C 10 178.129 178.129 177.642 0.487 18018 1071 1 3 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.674 0.273 18018 1072 1 3 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.673 -1.917 18018 1073 1 3 . 1 1 10 10 ALA H H 10 8.222 8.222 8.228 -0.006 18018 1074 1 3 . 1 1 11 11 HIS N N 11 118.081 118.081 116.005 2.076 18018 1075 1 3 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.039 -0.340 18018 1076 1 3 . 1 1 11 11 HIS C C 11 175.013 175.013 177.134 -2.121 18018 1077 1 3 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.298 -1.043 18018 1078 1 3 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.193 -2.426 18018 1079 1 3 . 1 1 11 11 HIS H H 11 8.486 8.486 8.101 0.385 18018 1080 1 3 . 1 1 12 12 GLU N N 12 121.492 121.492 121.761 -0.269 18018 1081 1 3 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.232 0.046 18018 1082 1 3 . 1 1 12 12 GLU C C 12 176.808 176.808 177.329 -0.521 18018 1083 1 3 . 1 1 12 12 GLU CA C 12 57.621 57.621 59.403 -1.782 18018 1084 1 3 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.977 -1.124 18018 1085 1 3 . 1 1 12 12 GLU H H 12 8.370 8.370 8.891 -0.521 18018 1086 1 3 . 1 1 13 13 ALA N N 13 123.583 123.583 119.890 3.693 18018 1087 1 3 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.605 -0.301 18018 1088 1 3 . 1 1 13 13 ALA C C 13 178.197 178.197 178.347 -0.150 18018 1089 1 3 . 1 1 13 13 ALA CA C 13 54.051 54.051 52.671 1.380 18018 1090 1 3 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.137 -1.349 18018 1091 1 3 . 1 1 13 13 ALA H H 13 8.426 8.426 7.886 0.540 18018 1092 1 3 . 1 1 14 14 LYS N N 14 119.772 119.772 119.619 0.153 18018 1093 1 3 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.780 0.438 18018 1094 1 3 . 1 1 14 14 LYS C C 14 176.757 176.757 176.547 0.210 18018 1095 1 3 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.391 -1.281 18018 1096 1 3 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.559 0.184 18018 1097 1 3 . 1 1 14 14 LYS H H 14 8.073 8.073 8.296 -0.223 18018 1098 1 3 . 1 1 15 15 PHE N N 15 118.073 118.073 114.423 3.650 18018 1099 1 3 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.675 -0.231 18018 1100 1 3 . 1 1 15 15 PHE C C 15 175.635 175.635 177.893 -2.258 18018 1101 1 3 . 1 1 15 15 PHE CA C 15 59.001 59.001 58.513 0.488 18018 1102 1 3 . 1 1 15 15 PHE CB C 15 38.491 38.491 39.354 -0.863 18018 1103 1 3 . 1 1 15 15 PHE H H 15 7.926 7.926 7.622 0.304 18018 1104 1 3 . 1 1 16 16 ALA N N 16 122.453 122.453 124.596 -2.143 18018 1105 1 3 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.009 0.297 18018 1106 1 3 . 1 1 16 16 ALA C C 16 177.641 177.641 178.840 -1.199 18018 1107 1 3 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.362 -1.310 18018 1108 1 3 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.139 -0.118 18018 1109 1 3 . 1 1 16 16 ALA H H 16 8.137 8.137 8.024 0.113 18018 1110 1 3 . 1 1 17 17 HIS N N 17 115.587 115.587 116.585 -0.998 18018 1111 1 3 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.546 0.279 18018 1112 1 3 . 1 1 17 17 HIS CA C 17 55.095 55.095 57.313 -2.218 18018 1113 1 3 . 1 1 17 17 HIS CB C 17 28.958 28.958 28.683 0.275 18018 1114 1 3 . 1 1 17 17 HIS H H 17 8.051 8.051 7.938 0.113 18018 1115 1 3 . 1 1 18 18 ASP N N 18 121.432 121.432 118.080 3.352 18018 1116 1 3 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.317 0.473 18018 1117 1 3 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.523 -1.940 18018 1118 1 3 . 1 1 18 18 ASP CB C 18 40.787 40.787 39.843 0.944 18018 1119 1 3 . 1 1 18 18 ASP H H 18 7.913 7.913 7.725 0.188 18018 1120 1 3 . 1 1 19 19 ALA N N 19 126.983 126.983 124.249 2.734 18018 1121 1 3 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.853 0.443 18018 1122 1 3 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.718 -0.671 18018 1123 1 3 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.360 0.498 18018 1124 1 3 . 1 1 19 19 ALA H H 19 8.599 8.599 8.490 0.109 18018 1125 1 3 . 1 1 20 20 GLU N N 20 119.997 119.997 119.889 0.108 18018 1126 1 3 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.218 0.111 18018 1127 1 3 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.601 -0.223 18018 1128 1 3 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.740 -0.863 18018 1129 1 3 . 1 1 20 20 GLU H H 20 8.377 8.377 8.139 0.238 18018 1130 1 3 . 1 1 21 21 LEU N N 21 122.484 122.484 121.160 1.324 18018 1131 1 3 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.232 -0.069 18018 1132 1 3 . 1 1 21 21 LEU CA C 21 57.125 57.125 59.078 -1.953 18018 1133 1 3 . 1 1 21 21 LEU CB C 21 41.030 41.030 42.256 -1.226 18018 1134 1 3 . 1 1 21 21 LEU H H 21 8.117 8.117 7.540 0.577 18018 1135 1 3 . 1 1 22 22 ASN N N 22 117.879 117.879 114.812 3.067 18018 1136 1 3 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.599 0.093 18018 1137 1 3 . 1 1 22 22 ASN CA C 22 56.338 56.338 54.578 1.760 18018 1138 1 3 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.456 2.682 18018 1139 1 3 . 1 1 22 22 ASN H H 22 8.507 8.507 8.688 -0.181 18018 1140 1 3 . 1 1 23 23 PHE N N 23 121.096 121.096 117.307 3.789 18018 1141 1 3 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.719 -0.256 18018 1142 1 3 . 1 1 23 23 PHE CA C 23 60.239 60.239 57.773 2.466 18018 1143 1 3 . 1 1 23 23 PHE CB C 23 38.032 38.032 40.873 -2.841 18018 1144 1 3 . 1 1 23 23 PHE H H 23 8.465 8.465 7.662 0.803 18018 1145 1 3 . 1 1 24 24 LYS N N 24 120.580 120.580 119.916 0.664 18018 1146 1 3 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.511 -0.340 18018 1147 1 3 . 1 1 24 24 LYS C C 24 179.309 179.309 177.128 2.181 18018 1148 1 3 . 1 1 24 24 LYS CA C 24 59.041 59.041 57.149 1.892 18018 1149 1 3 . 1 1 24 24 LYS CB C 24 32.387 32.387 33.845 -1.458 18018 1150 1 3 . 1 1 24 24 LYS H H 24 8.427 8.427 8.075 0.352 18018 1151 1 3 . 1 1 25 25 ALA N N 25 123.682 123.682 122.668 1.014 18018 1152 1 3 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.020 0.101 18018 1153 1 3 . 1 1 25 25 ALA C C 25 178.243 178.243 179.211 -0.968 18018 1154 1 3 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.427 -0.962 18018 1155 1 3 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.359 -0.660 18018 1156 1 3 . 1 1 25 25 ALA H H 25 8.768 8.768 8.120 0.648 18018 1157 1 3 . 1 1 26 26 GLU N N 26 122.051 122.051 118.224 3.827 18018 1158 1 3 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.951 0.070 18018 1159 1 3 . 1 1 26 26 GLU C C 26 177.265 177.265 178.033 -0.768 18018 1160 1 3 . 1 1 26 26 GLU CA C 26 58.461 58.461 58.962 -0.501 18018 1161 1 3 . 1 1 26 26 GLU CB C 26 28.762 28.762 28.388 0.374 18018 1162 1 3 . 1 1 26 26 GLU H H 26 8.532 8.532 8.420 0.112 18018 1163 1 3 . 1 1 27 27 ALA N N 27 122.124 122.124 122.399 -0.275 18018 1164 1 3 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.167 0.158 18018 1165 1 3 . 1 1 27 27 ALA C C 27 180.552 180.552 179.877 0.675 18018 1166 1 3 . 1 1 27 27 ALA CA C 27 54.169 54.169 53.874 0.295 18018 1167 1 3 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.722 -1.613 18018 1168 1 3 . 1 1 27 27 ALA H H 27 8.048 8.048 7.320 0.728 18018 1169 1 3 . 1 1 28 28 ARG N N 28 120.501 120.501 119.540 0.961 18018 1170 1 3 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.010 0.403 18018 1171 1 3 . 1 1 28 28 ARG C C 28 176.309 176.309 179.340 -3.031 18018 1172 1 3 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.718 -2.749 18018 1173 1 3 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.961 -3.046 18018 1174 1 3 . 1 1 28 28 ARG H H 28 8.046 8.046 8.226 -0.180 18018 1175 1 3 . 1 1 29 29 ARG N N 29 122.842 122.842 118.282 4.560 18018 1176 1 3 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.965 -0.267 18018 1177 1 3 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.518 -0.102 18018 1178 1 3 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.273 -1.125 18018 1179 1 3 . 1 1 29 29 ARG H H 29 8.908 8.908 8.566 0.342 18018 1180 1 3 . 1 1 30 30 ASN N N 30 120.150 120.150 117.370 2.780 18018 1181 1 3 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.615 0.019 18018 1182 1 3 . 1 1 30 30 ASN C C 30 175.888 175.888 177.138 -1.250 18018 1183 1 3 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.189 0.218 18018 1184 1 3 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.126 -2.191 18018 1185 1 3 . 1 1 30 30 ASN H H 30 8.402 8.402 8.053 0.349 18018 1186 1 3 . 1 1 31 31 ARG N N 31 123.400 123.400 119.413 3.987 18018 1187 1 3 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.254 0.028 18018 1188 1 3 . 1 1 31 31 ARG C C 31 177.804 177.804 176.555 1.249 18018 1189 1 3 . 1 1 31 31 ARG CA C 31 58.950 58.950 57.477 1.473 18018 1190 1 3 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.920 -0.799 18018 1191 1 3 . 1 1 31 31 ARG H H 31 7.996 7.996 7.880 0.116 18018 1192 1 3 . 1 1 32 32 LEU N N 32 119.872 119.872 117.403 2.469 18018 1193 1 3 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.477 -0.186 18018 1194 1 3 . 1 1 32 32 LEU C C 32 180.602 180.602 178.241 2.361 18018 1195 1 3 . 1 1 32 32 LEU CA C 32 57.246 57.246 55.512 1.734 18018 1196 1 3 . 1 1 32 32 LEU CB C 32 41.170 41.170 42.952 -1.782 18018 1197 1 3 . 1 1 32 32 LEU H H 32 8.742 8.742 7.607 1.135 18018 1198 1 3 . 1 1 33 33 LEU N N 33 124.468 124.468 121.057 3.411 18018 1199 1 3 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.238 0.063 18018 1200 1 3 . 1 1 33 33 LEU C C 33 177.992 177.992 178.932 -0.940 18018 1201 1 3 . 1 1 33 33 LEU CA C 33 57.015 57.015 59.184 -2.168 18018 1202 1 3 . 1 1 33 33 LEU CB C 33 42.239 42.239 42.096 0.143 18018 1203 1 3 . 1 1 33 33 LEU H H 33 9.249 9.249 7.936 1.313 18018 1204 1 3 . 1 1 34 34 GLY N N 34 109.045 109.045 105.321 3.724 18018 1205 1 3 . 1 1 34 34 GLY C C 34 174.530 174.530 175.784 -1.254 18018 1206 1 3 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.218 0.229 18018 1207 1 3 . 1 1 34 34 GLY H H 34 8.873 8.873 8.217 0.656 18018 1208 1 3 . 1 1 35 35 GLU N N 35 123.414 123.414 122.092 1.322 18018 1209 1 3 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.142 0.035 18018 1210 1 3 . 1 1 35 35 GLU C C 35 178.866 178.866 178.339 0.527 18018 1211 1 3 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.967 0.064 18018 1212 1 3 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.122 -0.159 18018 1213 1 3 . 1 1 35 35 GLU H H 35 8.920 8.920 8.436 0.484 18018 1214 1 3 . 1 1 36 36 TRP N N 36 124.774 124.774 122.407 2.367 18018 1215 1 3 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.336 0.247 18018 1216 1 3 . 1 1 36 36 TRP C C 36 177.618 177.618 177.989 -0.371 18018 1217 1 3 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.637 -1.019 18018 1218 1 3 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.376 -2.782 18018 1219 1 3 . 1 1 36 36 TRP H H 36 8.510 8.510 7.805 0.705 18018 1220 1 3 . 1 1 37 37 ALA N N 37 123.777 123.777 121.152 2.625 18018 1221 1 3 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.110 0.267 18018 1222 1 3 . 1 1 37 37 ALA C C 37 177.427 177.427 178.969 -1.542 18018 1223 1 3 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.550 -0.701 18018 1224 1 3 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.580 1.466 18018 1225 1 3 . 1 1 37 37 ALA H H 37 9.122 9.122 8.404 0.718 18018 1226 1 3 . 1 1 38 38 ALA N N 38 119.259 119.259 120.058 -0.799 18018 1227 1 3 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.574 -0.080 18018 1228 1 3 . 1 1 38 38 ALA C C 38 178.670 178.670 179.480 -0.810 18018 1229 1 3 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.984 -0.541 18018 1230 1 3 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.120 -0.431 18018 1231 1 3 . 1 1 38 38 ALA H H 38 8.772 8.772 8.444 0.328 18018 1232 1 3 . 1 1 39 39 GLY N N 39 104.027 104.027 104.935 -0.908 18018 1233 1 3 . 1 1 39 39 GLY C C 39 177.232 177.232 176.132 1.100 18018 1234 1 3 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.446 -0.024 18018 1235 1 3 . 1 1 39 39 GLY H H 39 7.733 7.733 7.889 -0.156 18018 1236 1 3 . 1 1 40 40 LEU N N 40 125.448 125.448 121.247 4.201 18018 1237 1 3 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.017 0.068 18018 1238 1 3 . 1 1 40 40 LEU C C 40 178.203 178.203 177.793 0.410 18018 1239 1 3 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.057 0.661 18018 1240 1 3 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.043 -0.704 18018 1241 1 3 . 1 1 40 40 LEU H H 40 7.492 7.492 7.104 0.388 18018 1242 1 3 . 1 1 41 41 LEU N N 41 117.234 117.234 114.873 2.361 18018 1243 1 3 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.905 0.202 18018 1244 1 3 . 1 1 41 41 LEU C C 41 176.119 176.119 177.820 -1.701 18018 1245 1 3 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.459 -2.576 18018 1246 1 3 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.131 -0.478 18018 1247 1 3 . 1 1 41 41 LEU H H 41 7.676 7.676 7.778 -0.102 18018 1248 1 3 . 1 1 42 42 GLY N N 42 109.595 109.595 104.902 4.693 18018 1249 1 3 . 1 1 42 42 GLY C C 42 173.775 173.775 174.614 -0.839 18018 1250 1 3 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.914 0.334 18018 1251 1 3 . 1 1 42 42 GLY H H 42 7.869 7.869 7.633 0.236 18018 1252 1 3 . 1 1 43 43 LYS N N 43 119.965 119.965 121.925 -1.960 18018 1253 1 3 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.447 0.265 18018 1254 1 3 . 1 1 43 43 LYS C C 43 175.246 175.246 175.950 -0.704 18018 1255 1 3 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.726 -0.956 18018 1256 1 3 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.248 0.522 18018 1257 1 3 . 1 1 43 43 LYS H H 43 8.079 8.079 8.367 -0.288 18018 1258 1 3 . 1 1 44 44 THR N N 44 114.199 114.199 110.964 3.235 18018 1259 1 3 . 1 1 44 44 THR HA H 44 4.749 4.749 4.360 0.389 18018 1260 1 3 . 1 1 44 44 THR C C 44 174.392 174.392 175.022 -0.630 18018 1261 1 3 . 1 1 44 44 THR CA C 44 58.992 58.992 61.320 -2.328 18018 1262 1 3 . 1 1 44 44 THR CB C 44 71.762 71.762 71.731 0.031 18018 1263 1 3 . 1 1 44 44 THR H H 44 8.934 8.934 7.962 0.972 18018 1264 1 3 . 1 1 45 45 GLY N N 45 109.657 109.657 114.912 -5.255 18018 1265 1 3 . 1 1 45 45 GLY C C 45 175.330 175.330 175.176 0.154 18018 1266 1 3 . 1 1 45 45 GLY CA C 45 46.145 46.145 45.508 0.637 18018 1267 1 3 . 1 1 45 45 GLY H H 45 8.862 8.862 8.430 0.432 18018 1268 1 3 . 1 1 46 46 ASP N N 46 128.403 128.403 123.823 4.580 18018 1269 1 3 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.579 -0.046 18018 1270 1 3 . 1 1 46 46 ASP C C 46 177.343 177.343 177.256 0.087 18018 1271 1 3 . 1 1 46 46 ASP CA C 46 56.485 56.485 55.836 0.650 18018 1272 1 3 . 1 1 46 46 ASP CB C 46 39.878 39.878 40.824 -0.946 18018 1273 1 3 . 1 1 46 46 ASP H H 46 9.283 9.283 8.691 0.592 18018 1274 1 3 . 1 1 47 47 ASP N N 47 121.367 121.367 120.355 1.012 18018 1275 1 3 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.340 0.296 18018 1276 1 3 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.603 -1.463 18018 1277 1 3 . 1 1 47 47 ASP CB C 47 39.976 39.976 41.065 -1.089 18018 1278 1 3 . 1 1 47 47 ASP H H 47 8.488 8.488 7.754 0.734 18018 1279 1 3 . 1 1 48 48 ALA N N 48 123.210 123.210 121.870 1.340 18018 1280 1 3 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.975 -0.058 18018 1281 1 3 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.151 -1.104 18018 1282 1 3 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.667 -2.025 18018 1283 1 3 . 1 1 48 48 ALA H H 48 7.235 7.235 7.802 -0.567 18018 1284 1 3 . 1 1 49 49 ARG N N 49 120.088 120.088 119.558 0.530 18018 1285 1 3 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.947 0.161 18018 1286 1 3 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.502 -0.802 18018 1287 1 3 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.128 -0.563 18018 1288 1 3 . 1 1 49 49 ARG H H 49 7.777 7.777 7.539 0.238 18018 1289 1 3 . 1 1 50 50 ALA N N 50 120.988 120.988 121.357 -0.369 18018 1290 1 3 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.009 0.182 18018 1291 1 3 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.894 -0.811 18018 1292 1 3 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.523 -1.244 18018 1293 1 3 . 1 1 50 50 ALA H H 50 8.350 8.350 8.012 0.338 18018 1294 1 3 . 1 1 51 51 TYR N N 51 119.264 119.264 118.345 0.919 18018 1295 1 3 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.124 0.077 18018 1296 1 3 . 1 1 51 51 TYR C C 51 178.335 178.335 178.140 0.195 18018 1297 1 3 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.161 -0.074 18018 1298 1 3 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.758 -0.918 18018 1299 1 3 . 1 1 51 51 TYR H H 51 8.054 8.054 7.846 0.208 18018 1300 1 3 . 1 1 52 52 ALA N N 52 124.002 124.002 120.997 3.005 18018 1301 1 3 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.186 -0.319 18018 1302 1 3 . 1 1 52 52 ALA C C 52 178.352 178.352 177.881 0.471 18018 1303 1 3 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.717 0.353 18018 1304 1 3 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.966 -2.131 18018 1305 1 3 . 1 1 52 52 ALA H H 52 8.611 8.611 8.408 0.203 18018 1306 1 3 . 1 1 53 53 LEU N N 53 116.323 116.323 114.101 2.222 18018 1307 1 3 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.525 -0.241 18018 1308 1 3 . 1 1 53 53 LEU C C 53 177.452 177.452 177.290 0.162 18018 1309 1 3 . 1 1 53 53 LEU CA C 53 55.862 55.862 55.186 0.676 18018 1310 1 3 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.092 -0.817 18018 1311 1 3 . 1 1 53 53 LEU H H 53 7.591 7.591 7.831 -0.240 18018 1312 1 3 . 1 1 54 54 THR N N 54 110.782 110.782 115.334 -4.552 18018 1313 1 3 . 1 1 54 54 THR HA H 54 4.392 4.392 4.380 0.012 18018 1314 1 3 . 1 1 54 54 THR CA C 54 62.390 62.390 63.389 -0.999 18018 1315 1 3 . 1 1 54 54 THR H H 54 7.947 7.947 7.611 0.336 18018 1316 1 3 . 1 1 55 55 VAL N N 55 123.763 123.763 118.321 5.442 18018 1317 1 3 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.188 -0.306 18018 1318 1 3 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.276 -0.532 18018 1319 1 3 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.553 -1.682 18018 1320 1 3 . 1 1 55 55 VAL H H 55 7.171 7.171 7.524 -0.353 18018 1321 1 3 . 1 1 56 56 VAL N N 56 118.917 118.917 119.068 -0.151 18018 1322 1 3 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.137 0.253 18018 1323 1 3 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.678 -1.898 18018 1324 1 3 . 1 1 56 56 VAL CB C 56 33.490 33.490 28.932 4.558 18018 1325 1 3 . 1 1 56 56 VAL H H 56 7.409 7.409 7.883 -0.474 18018 1326 1 3 . 1 1 57 57 THR N N 57 115.599 115.599 114.591 1.008 18018 1327 1 3 . 1 1 57 57 THR HA H 57 4.532 4.532 4.375 0.157 18018 1328 1 3 . 1 1 57 57 THR CA C 57 60.614 60.614 63.048 -2.434 18018 1329 1 3 . 1 1 57 57 THR CB C 57 68.892 68.892 69.295 -0.403 18018 1330 1 3 . 1 1 57 57 THR H H 57 7.916 7.916 8.159 -0.243 18018 1331 1 3 . 1 1 58 58 SER N N 58 120.007 120.007 118.220 1.787 18018 1332 1 3 . 1 1 58 58 SER HA H 58 4.547 4.547 4.213 0.334 18018 1333 1 3 . 1 1 58 58 SER CA C 58 57.770 57.770 61.445 -3.675 18018 1334 1 3 . 1 1 58 58 SER CB C 58 63.162 63.162 63.741 -0.579 18018 1335 1 3 . 1 1 58 58 SER H H 58 8.580 8.580 8.390 0.190 18018 1336 1 3 . 1 1 59 59 ASP N N 59 122.731 122.731 119.471 3.260 18018 1337 1 3 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.787 -0.097 18018 1338 1 3 . 1 1 59 59 ASP CA C 59 53.456 53.456 53.928 -0.472 18018 1339 1 3 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.313 -0.565 18018 1340 1 3 . 1 1 59 59 ASP H H 59 8.399 8.399 7.504 0.895 18018 1341 1 3 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.735 -0.567 18018 1342 1 3 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.284 1.770 18018 1343 1 3 . 1 1 60 60 PHE CB C 60 35.813 35.813 41.785 -5.972 18018 1344 1 3 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.546 0.050 18018 1345 1 3 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.802 0.146 18018 1346 1 3 . 1 1 63 63 PRO CB C 63 31.527 31.527 31.122 0.405 18018 1347 1 3 . 1 1 64 64 GLY N N 64 110.688 110.688 114.885 -4.197 18018 1348 1 3 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.588 0.082 18018 1349 1 3 . 1 1 64 64 GLY H H 64 8.725 8.725 7.751 0.974 18018 1350 1 3 . 1 1 65 65 ASP N N 65 122.028 122.028 121.483 0.545 18018 1351 1 3 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.588 0.075 18018 1352 1 3 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.711 0.054 18018 1353 1 3 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.222 -0.760 18018 1354 1 3 . 1 1 65 65 ASP H H 65 8.649 8.649 8.569 0.080 18018 1355 1 3 . 1 1 67 67 ASP N N 67 120.095 120.095 121.236 -1.141 18018 1356 1 3 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.724 -0.143 18018 1357 1 3 . 1 1 67 67 ASP CA C 67 56.553 56.553 54.906 1.647 18018 1358 1 3 . 1 1 67 67 ASP CB C 67 39.871 39.871 42.062 -2.191 18018 1359 1 3 . 1 1 67 67 ASP H H 67 8.181 8.181 8.510 -0.329 18018 1360 1 3 . 1 1 68 68 VAL N N 68 123.206 123.206 121.488 1.718 18018 1361 1 3 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.800 0.017 18018 1362 1 3 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.543 0.172 18018 1363 1 3 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.745 -0.320 18018 1364 1 3 . 1 1 68 68 VAL H H 68 8.014 8.014 7.894 0.120 18018 1365 1 3 . 1 1 69 69 PHE N N 69 120.318 120.318 120.670 -0.352 18018 1366 1 3 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.072 0.050 18018 1367 1 3 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.030 -0.288 18018 1368 1 3 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.648 -0.407 18018 1369 1 3 . 1 1 69 69 PHE H H 69 8.501 8.501 7.845 0.656 18018 1370 1 3 . 1 1 70 70 ARG N N 70 117.820 117.820 119.131 -1.311 18018 1371 1 3 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.582 0.130 18018 1372 1 3 . 1 1 70 70 ARG C C 70 178.813 178.813 178.150 0.663 18018 1373 1 3 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.112 -0.266 18018 1374 1 3 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.822 -0.040 18018 1375 1 3 . 1 1 70 70 ARG H H 70 8.598 8.598 8.349 0.249 18018 1376 1 3 . 1 1 71 71 LYS N N 71 121.726 121.726 120.485 1.241 18018 1377 1 3 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.037 0.186 18018 1378 1 3 . 1 1 71 71 LYS C C 71 177.020 177.020 178.374 -1.354 18018 1379 1 3 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.183 -0.693 18018 1380 1 3 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.134 -0.248 18018 1381 1 3 . 1 1 71 71 LYS H H 71 7.658 7.658 8.037 -0.379 18018 1382 1 3 . 1 1 72 72 LEU N N 72 119.355 119.355 118.508 0.847 18018 1383 1 3 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.281 -0.256 18018 1384 1 3 . 1 1 72 72 LEU C C 72 177.378 177.378 178.899 -1.521 18018 1385 1 3 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.275 -0.289 18018 1386 1 3 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.912 -0.066 18018 1387 1 3 . 1 1 72 72 LEU H H 72 8.173 8.173 7.570 0.603 18018 1388 1 3 . 1 1 73 73 ALA N N 73 121.169 121.169 122.318 -1.149 18018 1389 1 3 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.893 -0.161 18018 1390 1 3 . 1 1 73 73 ALA C C 73 179.644 179.644 178.243 1.401 18018 1391 1 3 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.535 -0.711 18018 1392 1 3 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.187 -1.651 18018 1393 1 3 . 1 1 73 73 ALA H H 73 9.151 9.151 8.355 0.795 18018 1394 1 3 . 1 1 74 74 ALA N N 74 119.383 119.383 116.473 2.910 18018 1395 1 3 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.247 0.116 18018 1396 1 3 . 1 1 74 74 ALA C C 74 179.752 179.752 177.206 2.546 18018 1397 1 3 . 1 1 74 74 ALA CA C 74 53.524 53.524 52.895 0.629 18018 1398 1 3 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.590 -0.947 18018 1399 1 3 . 1 1 74 74 ALA H H 74 7.379 7.379 7.519 -0.140 18018 1400 1 3 . 1 1 75 75 ASP N N 75 120.226 120.226 117.809 2.417 18018 1401 1 3 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.777 -0.282 18018 1402 1 3 . 1 1 75 75 ASP C C 75 177.704 177.704 177.112 0.592 18018 1403 1 3 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.108 0.878 18018 1404 1 3 . 1 1 75 75 ASP CB C 75 38.944 38.944 43.864 -4.920 18018 1405 1 3 . 1 1 75 75 ASP H H 75 8.474 8.474 7.770 0.704 18018 1406 1 3 . 1 1 76 76 LEU N N 76 115.468 115.468 120.860 -5.392 18018 1407 1 3 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.266 0.126 18018 1408 1 3 . 1 1 76 76 LEU C C 76 174.790 174.790 176.706 -1.916 18018 1409 1 3 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.126 -0.502 18018 1410 1 3 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.979 0.220 18018 1411 1 3 . 1 1 76 76 LEU H H 76 8.599 8.599 8.091 0.508 18018 1412 1 3 . 1 1 77 77 GLU N N 77 124.833 124.833 121.429 3.404 18018 1413 1 3 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.022 0.318 18018 1414 1 3 . 1 1 77 77 GLU C C 77 176.953 176.953 177.432 -0.479 18018 1415 1 3 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.681 0.630 18018 1416 1 3 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.079 -0.464 18018 1417 1 3 . 1 1 77 77 GLU H H 77 7.115 7.115 7.770 -0.655 18018 1418 1 3 . 1 1 78 78 GLY N N 78 118.193 118.193 112.789 5.404 18018 1419 1 3 . 1 1 78 78 GLY C C 78 173.075 173.075 174.608 -1.533 18018 1420 1 3 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.849 -0.744 18018 1421 1 3 . 1 1 78 78 GLY H H 78 9.371 9.371 8.546 0.825 18018 1422 1 3 . 1 1 79 79 LYS N N 79 120.237 120.237 118.657 1.580 18018 1423 1 3 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.400 0.231 18018 1424 1 3 . 1 1 79 79 LYS C C 79 175.050 175.050 175.309 -0.259 18018 1425 1 3 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.296 -1.071 18018 1426 1 3 . 1 1 79 79 LYS CB C 79 34.062 34.062 35.393 -1.331 18018 1427 1 3 . 1 1 79 79 LYS H H 79 8.799 8.799 8.332 0.467 18018 1428 1 3 . 1 1 80 80 ALA N N 80 121.135 121.135 124.133 -2.998 18018 1429 1 3 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.717 0.147 18018 1430 1 3 . 1 1 80 80 ALA C C 80 174.051 174.051 174.749 -0.698 18018 1431 1 3 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.641 -0.770 18018 1432 1 3 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.968 0.159 18018 1433 1 3 . 1 1 80 80 ALA H H 80 8.126 8.126 7.983 0.143 18018 1434 1 3 . 1 1 81 81 ASP N N 81 121.569 121.569 123.636 -2.067 18018 1435 1 3 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.761 0.107 18018 1436 1 3 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.812 -2.842 18018 1437 1 3 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.233 -0.947 18018 1438 1 3 . 1 1 81 81 ASP H H 81 8.283 8.283 8.502 -0.219 18018 1439 1 3 . 1 1 82 82 GLU N N 82 120.044 120.044 121.157 -1.113 18018 1440 1 3 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.306 -0.140 18018 1441 1 3 . 1 1 82 82 GLU C C 82 177.350 177.350 178.812 -1.462 18018 1442 1 3 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.558 -0.340 18018 1443 1 3 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.711 -1.086 18018 1444 1 3 . 1 1 82 82 GLU H H 82 8.891 8.891 8.887 0.004 18018 1445 1 3 . 1 1 83 83 GLU N N 83 119.348 119.348 117.319 2.029 18018 1446 1 3 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.140 0.007 18018 1447 1 3 . 1 1 83 83 GLU C C 83 178.794 178.794 177.414 1.380 18018 1448 1 3 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.493 0.589 18018 1449 1 3 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.590 -1.216 18018 1450 1 3 . 1 1 83 83 GLU H H 83 8.827 8.827 8.652 0.175 18018 1451 1 3 . 1 1 84 84 THR N N 84 119.678 119.678 112.154 7.524 18018 1452 1 3 . 1 1 84 84 THR HA H 84 4.131 4.131 4.435 -0.304 18018 1453 1 3 . 1 1 84 84 THR C C 84 176.165 176.165 175.398 0.767 18018 1454 1 3 . 1 1 84 84 THR CA C 84 66.422 66.422 63.659 2.763 18018 1455 1 3 . 1 1 84 84 THR CB C 84 65.645 65.645 70.142 -4.497 18018 1456 1 3 . 1 1 84 84 THR H H 84 8.552 8.552 7.898 0.654 18018 1457 1 3 . 1 1 85 85 ILE N N 85 123.677 123.677 124.330 -0.653 18018 1458 1 3 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.720 0.099 18018 1459 1 3 . 1 1 85 85 ILE C C 85 174.809 174.809 177.514 -2.705 18018 1460 1 3 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.755 -1.172 18018 1461 1 3 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.996 0.494 18018 1462 1 3 . 1 1 85 85 ILE H H 85 8.571 8.571 8.779 -0.208 18018 1463 1 3 . 1 1 86 86 ARG N N 86 119.556 119.556 119.067 0.489 18018 1464 1 3 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.038 0.133 18018 1465 1 3 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.170 0.449 18018 1466 1 3 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.650 -0.792 18018 1467 1 3 . 1 1 86 86 ARG H H 86 9.093 9.093 7.993 1.100 18018 1468 1 3 . 1 1 87 87 ALA N N 87 121.431 121.431 122.361 -0.930 18018 1469 1 3 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.020 0.268 18018 1470 1 3 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.191 -1.036 18018 1471 1 3 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.996 -0.924 18018 1472 1 3 . 1 1 87 87 ALA H H 87 8.206 8.206 7.691 0.515 18018 1473 1 3 . 1 1 88 88 LYS N N 88 122.850 122.850 118.209 4.641 18018 1474 1 3 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.720 0.262 18018 1475 1 3 . 1 1 88 88 LYS CA C 88 55.873 55.873 59.046 -3.173 18018 1476 1 3 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.664 -1.841 18018 1477 1 3 . 1 1 88 88 LYS H H 88 8.145 8.145 8.240 -0.095 18018 1478 1 3 . 1 1 89 89 MET N N 89 118.786 118.786 118.502 0.284 18018 1479 1 3 . 1 1 89 89 MET HA H 89 3.810 3.810 4.110 -0.300 18018 1480 1 3 . 1 1 89 89 MET CA C 89 60.096 60.096 58.740 1.356 18018 1481 1 3 . 1 1 89 89 MET CB C 89 32.329 32.329 32.480 -0.151 18018 1482 1 3 . 1 1 89 89 MET H H 89 8.468 8.468 8.248 0.220 18018 1483 1 3 . 1 1 90 90 VAL N N 90 120.770 120.770 119.858 0.912 18018 1484 1 3 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.637 0.190 18018 1485 1 3 . 1 1 90 90 VAL C C 90 178.017 178.017 177.973 0.044 18018 1486 1 3 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.702 -1.077 18018 1487 1 3 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.495 0.244 18018 1488 1 3 . 1 1 90 90 VAL H H 90 7.504 7.504 7.497 0.007 18018 1489 1 3 . 1 1 91 91 GLU N N 91 124.409 124.409 120.975 3.434 18018 1490 1 3 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.964 -0.176 18018 1491 1 3 . 1 1 91 91 GLU C C 91 177.612 177.612 179.231 -1.619 18018 1492 1 3 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.695 -1.281 18018 1493 1 3 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.587 1.857 18018 1494 1 3 . 1 1 91 91 GLU H H 91 8.486 8.486 8.315 0.171 18018 1495 1 3 . 1 1 92 92 LEU N N 92 114.680 114.680 118.530 -3.850 18018 1496 1 3 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.137 0.253 18018 1497 1 3 . 1 1 92 92 LEU C C 92 177.928 177.928 179.118 -1.190 18018 1498 1 3 . 1 1 92 92 LEU CA C 92 55.634 55.634 56.831 -1.197 18018 1499 1 3 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.803 -1.462 18018 1500 1 3 . 1 1 92 92 LEU H H 92 8.823 8.823 7.964 0.859 18018 1501 1 3 . 1 1 93 93 ARG N N 93 123.603 123.603 120.343 3.260 18018 1502 1 3 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.014 -0.071 18018 1503 1 3 . 1 1 93 93 ARG C C 93 176.350 176.350 178.392 -2.042 18018 1504 1 3 . 1 1 93 93 ARG CA C 93 59.581 59.581 59.201 0.380 18018 1505 1 3 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.840 -0.937 18018 1506 1 3 . 1 1 93 93 ARG H H 93 7.690 7.690 8.044 -0.354 18018 1507 1 3 . 1 1 94 94 ALA N N 94 122.480 122.480 121.009 1.471 18018 1508 1 3 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.137 0.124 18018 1509 1 3 . 1 1 94 94 ALA C C 94 179.805 179.805 179.727 0.078 18018 1510 1 3 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.986 -0.457 18018 1511 1 3 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.335 -1.399 18018 1512 1 3 . 1 1 94 94 ALA H H 94 7.269 7.269 7.664 -0.395 18018 1513 1 3 . 1 1 95 95 THR N N 95 116.936 116.936 114.756 2.180 18018 1514 1 3 . 1 1 95 95 THR HA H 95 4.045 4.045 4.045 -0.000 18018 1515 1 3 . 1 1 95 95 THR C C 95 175.007 175.007 176.270 -1.263 18018 1516 1 3 . 1 1 95 95 THR CA C 95 65.569 65.569 66.575 -1.006 18018 1517 1 3 . 1 1 95 95 THR CB C 95 68.334 68.334 68.743 -0.409 18018 1518 1 3 . 1 1 95 95 THR H H 95 8.282 8.282 7.949 0.333 18018 1519 1 3 . 1 1 96 96 ALA N N 96 124.095 124.095 124.197 -0.102 18018 1520 1 3 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.966 -0.104 18018 1521 1 3 . 1 1 96 96 ALA C C 96 178.184 178.184 178.769 -0.585 18018 1522 1 3 . 1 1 96 96 ALA CA C 96 54.749 54.749 55.131 -0.382 18018 1523 1 3 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.100 0.670 18018 1524 1 3 . 1 1 96 96 ALA H H 96 8.681 8.681 8.139 0.542 18018 1525 1 3 . 1 1 97 97 ARG N N 97 117.328 117.328 118.367 -1.039 18018 1526 1 3 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.878 -0.092 18018 1527 1 3 . 1 1 97 97 ARG C C 97 176.770 176.770 178.357 -1.587 18018 1528 1 3 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.693 -0.132 18018 1529 1 3 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.800 -0.184 18018 1530 1 3 . 1 1 97 97 ARG H H 97 8.070 8.070 7.788 0.282 18018 1531 1 3 . 1 1 98 98 GLU N N 98 118.245 118.245 118.785 -0.540 18018 1532 1 3 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.029 0.086 18018 1533 1 3 . 1 1 98 98 GLU C C 98 178.865 178.865 179.230 -0.365 18018 1534 1 3 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.365 -0.876 18018 1535 1 3 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.425 -0.913 18018 1536 1 3 . 1 1 98 98 GLU H H 98 7.855 7.855 7.774 0.081 18018 1537 1 3 . 1 1 99 99 GLN N N 99 119.735 119.735 119.192 0.543 18018 1538 1 3 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.971 0.200 18018 1539 1 3 . 1 1 99 99 GLN C C 99 178.146 178.146 178.753 -0.607 18018 1540 1 3 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.833 -0.588 18018 1541 1 3 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.610 -1.516 18018 1542 1 3 . 1 1 99 99 GLN H H 99 8.312 8.312 8.185 0.127 18018 1543 1 3 . 1 1 100 100 ILE N N 100 119.864 119.864 119.066 0.798 18018 1544 1 3 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.739 0.211 18018 1545 1 3 . 1 1 100 100 ILE C C 100 178.315 178.315 178.299 0.016 18018 1546 1 3 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.100 -2.496 18018 1547 1 3 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.908 -1.412 18018 1548 1 3 . 1 1 100 100 ILE H H 100 8.445 8.445 8.027 0.418 18018 1549 1 3 . 1 1 101 101 ILE N N 101 120.514 120.514 117.490 3.024 18018 1550 1 3 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.903 0.109 18018 1551 1 3 . 1 1 101 101 ILE C C 101 177.006 177.006 179.121 -2.115 18018 1552 1 3 . 1 1 101 101 ILE CA C 101 62.977 62.977 61.782 1.195 18018 1553 1 3 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.868 -0.207 18018 1554 1 3 . 1 1 101 101 ILE H H 101 8.329 8.329 7.579 0.750 18018 1555 1 3 . 1 1 102 102 SER N N 102 116.172 116.172 115.819 0.353 18018 1556 1 3 . 1 1 102 102 SER HA H 102 4.562 4.562 4.301 0.261 18018 1557 1 3 . 1 1 102 102 SER C C 102 173.845 173.845 175.938 -2.093 18018 1558 1 3 . 1 1 102 102 SER CA C 102 59.502 59.502 60.752 -1.250 18018 1559 1 3 . 1 1 102 102 SER CB C 102 63.012 63.012 63.264 -0.251 18018 1560 1 3 . 1 1 102 102 SER H H 102 7.882 7.882 8.083 -0.201 18018 1561 1 3 . 1 1 103 103 GLU N N 103 122.642 122.642 119.885 2.757 18018 1562 1 3 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.266 0.174 18018 1563 1 3 . 1 1 103 103 GLU C C 103 175.095 175.095 176.576 -1.481 18018 1564 1 3 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.346 -0.718 18018 1565 1 3 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.142 -0.329 18018 1566 1 3 . 1 1 103 103 GLU H H 103 7.735 7.735 7.723 0.012 18018 1567 1 4 . 1 1 4 4 PHE N N 4 122.548 122.548 119.433 3.115 18018 1568 1 4 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.730 -0.047 18018 1569 1 4 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.231 -0.624 18018 1570 1 4 . 1 1 4 4 PHE CB C 4 38.895 38.895 40.762 -1.867 18018 1571 1 4 . 1 1 4 4 PHE H H 4 8.328 8.328 8.086 0.242 18018 1572 1 4 . 1 1 7 7 ARG N N 7 121.962 121.962 118.394 3.568 18018 1573 1 4 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.191 0.065 18018 1574 1 4 . 1 1 7 7 ARG C C 7 176.683 176.683 177.414 -0.731 18018 1575 1 4 . 1 1 7 7 ARG CA C 7 57.087 57.087 58.060 -0.973 18018 1576 1 4 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.164 -0.802 18018 1577 1 4 . 1 1 7 7 ARG H H 7 8.321 8.321 8.522 -0.201 18018 1578 1 4 . 1 1 8 8 GLU N N 8 121.095 121.095 120.029 1.066 18018 1579 1 4 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.286 -0.035 18018 1580 1 4 . 1 1 8 8 GLU C C 8 176.964 176.964 178.105 -1.141 18018 1581 1 4 . 1 1 8 8 GLU CA C 8 56.933 56.933 58.788 -1.855 18018 1582 1 4 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.922 -1.067 18018 1583 1 4 . 1 1 8 8 GLU H H 8 8.388 8.388 8.150 0.238 18018 1584 1 4 . 1 1 9 9 ARG N N 9 121.310 121.310 117.867 3.443 18018 1585 1 4 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.285 0.055 18018 1586 1 4 . 1 1 9 9 ARG C C 9 176.563 176.563 176.596 -0.033 18018 1587 1 4 . 1 1 9 9 ARG CA C 9 56.413 56.413 56.616 -0.203 18018 1588 1 4 . 1 1 9 9 ARG CB C 9 29.669 29.669 29.576 0.093 18018 1589 1 4 . 1 1 9 9 ARG H H 9 8.268 8.268 8.185 0.083 18018 1590 1 4 . 1 1 10 10 ALA N N 10 124.224 124.224 119.863 4.361 18018 1591 1 4 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.327 -0.009 18018 1592 1 4 . 1 1 10 10 ALA C C 10 178.129 178.129 177.186 0.943 18018 1593 1 4 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.724 0.223 18018 1594 1 4 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.098 -2.342 18018 1595 1 4 . 1 1 10 10 ALA H H 10 8.222 8.222 7.391 0.831 18018 1596 1 4 . 1 1 11 11 HIS N N 11 118.081 118.081 114.040 4.041 18018 1597 1 4 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.013 -0.314 18018 1598 1 4 . 1 1 11 11 HIS C C 11 175.013 175.013 176.107 -1.094 18018 1599 1 4 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.029 -0.774 18018 1600 1 4 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.435 -3.668 18018 1601 1 4 . 1 1 11 11 HIS H H 11 8.486 8.486 7.722 0.764 18018 1602 1 4 . 1 1 12 12 GLU N N 12 121.492 121.492 119.449 2.043 18018 1603 1 4 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.536 -0.258 18018 1604 1 4 . 1 1 12 12 GLU C C 12 176.808 176.808 176.769 0.039 18018 1605 1 4 . 1 1 12 12 GLU CA C 12 57.621 57.621 57.508 0.113 18018 1606 1 4 . 1 1 12 12 GLU CB C 12 28.853 28.853 31.654 -2.801 18018 1607 1 4 . 1 1 12 12 GLU H H 12 8.370 8.370 8.378 -0.008 18018 1608 1 4 . 1 1 13 13 ALA N N 13 123.583 123.583 121.731 1.852 18018 1609 1 4 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.298 0.006 18018 1610 1 4 . 1 1 13 13 ALA C C 13 178.197 178.197 178.216 -0.019 18018 1611 1 4 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.743 0.308 18018 1612 1 4 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.674 -1.886 18018 1613 1 4 . 1 1 13 13 ALA H H 13 8.426 8.426 8.403 0.023 18018 1614 1 4 . 1 1 14 14 LYS N N 14 119.772 119.772 119.248 0.524 18018 1615 1 4 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.873 0.345 18018 1616 1 4 . 1 1 14 14 LYS C C 14 176.757 176.757 177.818 -1.061 18018 1617 1 4 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.323 -2.213 18018 1618 1 4 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.069 -0.326 18018 1619 1 4 . 1 1 14 14 LYS H H 14 8.073 8.073 8.265 -0.192 18018 1620 1 4 . 1 1 15 15 PHE N N 15 118.073 118.073 115.483 2.590 18018 1621 1 4 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.377 0.067 18018 1622 1 4 . 1 1 15 15 PHE C C 15 175.635 175.635 178.181 -2.546 18018 1623 1 4 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.451 -1.450 18018 1624 1 4 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.422 0.069 18018 1625 1 4 . 1 1 15 15 PHE H H 15 7.926 7.926 7.962 -0.036 18018 1626 1 4 . 1 1 16 16 ALA N N 16 122.453 122.453 121.642 0.811 18018 1627 1 4 . 1 1 16 16 ALA HA H 16 4.306 4.306 3.992 0.314 18018 1628 1 4 . 1 1 16 16 ALA C C 16 177.641 177.641 178.653 -1.012 18018 1629 1 4 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.402 -1.350 18018 1630 1 4 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.286 -0.265 18018 1631 1 4 . 1 1 16 16 ALA H H 16 8.137 8.137 8.191 -0.054 18018 1632 1 4 . 1 1 17 17 HIS N N 17 115.587 115.587 115.356 0.231 18018 1633 1 4 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.687 0.138 18018 1634 1 4 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.029 -0.934 18018 1635 1 4 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.235 -0.277 18018 1636 1 4 . 1 1 17 17 HIS H H 17 8.051 8.051 7.848 0.203 18018 1637 1 4 . 1 1 18 18 ASP N N 18 121.432 121.432 118.526 2.906 18018 1638 1 4 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.316 0.474 18018 1639 1 4 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.827 -2.244 18018 1640 1 4 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.462 0.325 18018 1641 1 4 . 1 1 18 18 ASP H H 18 7.913 7.913 7.871 0.042 18018 1642 1 4 . 1 1 19 19 ALA N N 19 126.983 126.983 121.185 5.798 18018 1643 1 4 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.895 0.401 18018 1644 1 4 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.691 -0.644 18018 1645 1 4 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.344 0.515 18018 1646 1 4 . 1 1 19 19 ALA H H 19 8.599 8.599 8.616 -0.017 18018 1647 1 4 . 1 1 20 20 GLU N N 20 119.997 119.997 119.428 0.569 18018 1648 1 4 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.162 0.167 18018 1649 1 4 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.464 -1.086 18018 1650 1 4 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.558 -0.681 18018 1651 1 4 . 1 1 20 20 GLU H H 20 8.377 8.377 8.048 0.329 18018 1652 1 4 . 1 1 21 21 LEU N N 21 122.484 122.484 117.448 5.036 18018 1653 1 4 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.397 -0.234 18018 1654 1 4 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.106 0.019 18018 1655 1 4 . 1 1 21 21 LEU CB C 21 41.030 41.030 42.158 -1.128 18018 1656 1 4 . 1 1 21 21 LEU H H 21 8.117 8.117 8.053 0.064 18018 1657 1 4 . 1 1 22 22 ASN N N 22 117.879 117.879 118.599 -0.720 18018 1658 1 4 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.458 0.234 18018 1659 1 4 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.775 -0.437 18018 1660 1 4 . 1 1 22 22 ASN CB C 22 40.138 40.138 38.593 1.544 18018 1661 1 4 . 1 1 22 22 ASN H H 22 8.507 8.507 8.123 0.384 18018 1662 1 4 . 1 1 23 23 PHE N N 23 121.096 121.096 121.403 -0.307 18018 1663 1 4 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.226 0.237 18018 1664 1 4 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.802 -1.563 18018 1665 1 4 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.125 -1.093 18018 1666 1 4 . 1 1 23 23 PHE H H 23 8.465 8.465 7.923 0.542 18018 1667 1 4 . 1 1 24 24 LYS N N 24 120.580 120.580 118.258 2.322 18018 1668 1 4 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.012 0.159 18018 1669 1 4 . 1 1 24 24 LYS C C 24 179.309 179.309 178.501 0.808 18018 1670 1 4 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.342 -0.301 18018 1671 1 4 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.381 0.006 18018 1672 1 4 . 1 1 24 24 LYS H H 24 8.427 8.427 7.775 0.652 18018 1673 1 4 . 1 1 25 25 ALA N N 25 123.682 123.682 119.860 3.822 18018 1674 1 4 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.154 -0.033 18018 1675 1 4 . 1 1 25 25 ALA C C 25 178.243 178.243 179.039 -0.796 18018 1676 1 4 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.568 -0.103 18018 1677 1 4 . 1 1 25 25 ALA CB C 25 17.699 17.699 19.030 -1.331 18018 1678 1 4 . 1 1 25 25 ALA H H 25 8.768 8.768 8.122 0.646 18018 1679 1 4 . 1 1 26 26 GLU N N 26 122.051 122.051 119.569 2.482 18018 1680 1 4 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.026 -0.005 18018 1681 1 4 . 1 1 26 26 GLU C C 26 177.265 177.265 178.632 -1.367 18018 1682 1 4 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.413 -0.952 18018 1683 1 4 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.714 -0.952 18018 1684 1 4 . 1 1 26 26 GLU H H 26 8.532 8.532 7.969 0.563 18018 1685 1 4 . 1 1 27 27 ALA N N 27 122.124 122.124 117.330 4.794 18018 1686 1 4 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.266 0.059 18018 1687 1 4 . 1 1 27 27 ALA C C 27 180.552 180.552 177.575 2.977 18018 1688 1 4 . 1 1 27 27 ALA CA C 27 54.169 54.169 53.325 0.844 18018 1689 1 4 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.557 -1.448 18018 1690 1 4 . 1 1 27 27 ALA H H 27 8.048 8.048 7.808 0.240 18018 1691 1 4 . 1 1 28 28 ARG N N 28 120.501 120.501 118.184 2.317 18018 1692 1 4 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.556 -0.144 18018 1693 1 4 . 1 1 28 28 ARG C C 28 176.309 176.309 177.703 -1.394 18018 1694 1 4 . 1 1 28 28 ARG CA C 28 55.969 55.969 57.023 -1.054 18018 1695 1 4 . 1 1 28 28 ARG CB C 28 26.915 26.915 31.143 -4.228 18018 1696 1 4 . 1 1 28 28 ARG H H 28 8.046 8.046 7.445 0.601 18018 1697 1 4 . 1 1 29 29 ARG N N 29 122.842 122.842 121.400 1.442 18018 1698 1 4 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.937 -0.239 18018 1699 1 4 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.365 0.051 18018 1700 1 4 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.288 -1.140 18018 1701 1 4 . 1 1 29 29 ARG H H 29 8.908 8.908 8.676 0.232 18018 1702 1 4 . 1 1 30 30 ASN N N 30 120.150 120.150 118.832 1.318 18018 1703 1 4 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.362 0.272 18018 1704 1 4 . 1 1 30 30 ASN C C 30 175.888 175.888 177.349 -1.461 18018 1705 1 4 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.984 -0.577 18018 1706 1 4 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.332 -1.397 18018 1707 1 4 . 1 1 30 30 ASN H H 30 8.402 8.402 8.234 0.168 18018 1708 1 4 . 1 1 31 31 ARG N N 31 123.400 123.400 121.585 1.815 18018 1709 1 4 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.291 -0.009 18018 1710 1 4 . 1 1 31 31 ARG C C 31 177.804 177.804 178.687 -0.883 18018 1711 1 4 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.978 -0.028 18018 1712 1 4 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.177 -1.056 18018 1713 1 4 . 1 1 31 31 ARG H H 31 7.996 7.996 7.553 0.443 18018 1714 1 4 . 1 1 32 32 LEU N N 32 119.872 119.872 118.337 1.535 18018 1715 1 4 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.147 0.144 18018 1716 1 4 . 1 1 32 32 LEU C C 32 180.602 180.602 179.376 1.226 18018 1717 1 4 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.621 -0.375 18018 1718 1 4 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.567 -0.397 18018 1719 1 4 . 1 1 32 32 LEU H H 32 8.742 8.742 7.837 0.905 18018 1720 1 4 . 1 1 33 33 LEU N N 33 124.468 124.468 119.315 5.153 18018 1721 1 4 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.622 -0.321 18018 1722 1 4 . 1 1 33 33 LEU C C 33 177.992 177.992 178.069 -0.077 18018 1723 1 4 . 1 1 33 33 LEU CA C 33 57.015 57.015 55.926 1.089 18018 1724 1 4 . 1 1 33 33 LEU CB C 33 42.239 42.239 42.570 -0.331 18018 1725 1 4 . 1 1 33 33 LEU H H 33 9.249 9.249 7.668 1.581 18018 1726 1 4 . 1 1 34 34 GLY N N 34 109.045 109.045 108.429 0.616 18018 1727 1 4 . 1 1 34 34 GLY C C 34 174.530 174.530 175.773 -1.243 18018 1728 1 4 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.805 -0.358 18018 1729 1 4 . 1 1 34 34 GLY H H 34 8.873 8.873 8.317 0.556 18018 1730 1 4 . 1 1 35 35 GLU N N 35 123.414 123.414 122.329 1.085 18018 1731 1 4 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.108 0.069 18018 1732 1 4 . 1 1 35 35 GLU C C 35 178.866 178.866 178.348 0.518 18018 1733 1 4 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.876 0.155 18018 1734 1 4 . 1 1 35 35 GLU CB C 35 28.963 28.963 28.912 0.051 18018 1735 1 4 . 1 1 35 35 GLU H H 35 8.920 8.920 8.287 0.633 18018 1736 1 4 . 1 1 36 36 TRP N N 36 124.774 124.774 122.957 1.817 18018 1737 1 4 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.189 0.394 18018 1738 1 4 . 1 1 36 36 TRP C C 36 177.618 177.618 177.964 -0.346 18018 1739 1 4 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.511 -0.893 18018 1740 1 4 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.284 -2.690 18018 1741 1 4 . 1 1 36 36 TRP H H 36 8.510 8.510 7.651 0.859 18018 1742 1 4 . 1 1 37 37 ALA N N 37 123.777 123.777 119.116 4.661 18018 1743 1 4 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.092 0.285 18018 1744 1 4 . 1 1 37 37 ALA C C 37 177.427 177.427 179.108 -1.681 18018 1745 1 4 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.197 -0.348 18018 1746 1 4 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.712 1.334 18018 1747 1 4 . 1 1 37 37 ALA H H 37 9.122 9.122 8.230 0.892 18018 1748 1 4 . 1 1 38 38 ALA N N 38 119.259 119.259 120.701 -1.442 18018 1749 1 4 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.480 0.014 18018 1750 1 4 . 1 1 38 38 ALA C C 38 178.670 178.670 179.128 -0.458 18018 1751 1 4 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.681 -0.238 18018 1752 1 4 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.262 -0.574 18018 1753 1 4 . 1 1 38 38 ALA H H 38 8.772 8.772 8.361 0.411 18018 1754 1 4 . 1 1 39 39 GLY N N 39 104.027 104.027 104.304 -0.277 18018 1755 1 4 . 1 1 39 39 GLY C C 39 177.232 177.232 175.223 2.009 18018 1756 1 4 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.138 0.284 18018 1757 1 4 . 1 1 39 39 GLY H H 39 7.733 7.733 7.651 0.082 18018 1758 1 4 . 1 1 40 40 LEU N N 40 125.448 125.448 118.995 6.453 18018 1759 1 4 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.233 -0.148 18018 1760 1 4 . 1 1 40 40 LEU C C 40 178.203 178.203 177.501 0.702 18018 1761 1 4 . 1 1 40 40 LEU CA C 40 56.718 56.718 54.830 1.888 18018 1762 1 4 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.775 -1.436 18018 1763 1 4 . 1 1 40 40 LEU H H 40 7.492 7.492 7.233 0.259 18018 1764 1 4 . 1 1 41 41 LEU N N 41 117.234 117.234 116.582 0.652 18018 1765 1 4 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.907 0.200 18018 1766 1 4 . 1 1 41 41 LEU C C 41 176.119 176.119 177.860 -1.741 18018 1767 1 4 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.416 -2.534 18018 1768 1 4 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.783 -0.130 18018 1769 1 4 . 1 1 41 41 LEU H H 41 7.676 7.676 7.954 -0.278 18018 1770 1 4 . 1 1 42 42 GLY N N 42 109.595 109.595 104.100 5.495 18018 1771 1 4 . 1 1 42 42 GLY C C 42 173.775 173.775 174.682 -0.907 18018 1772 1 4 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.568 0.680 18018 1773 1 4 . 1 1 42 42 GLY H H 42 7.869 7.869 7.411 0.458 18018 1774 1 4 . 1 1 43 43 LYS N N 43 119.965 119.965 120.841 -0.876 18018 1775 1 4 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.507 0.205 18018 1776 1 4 . 1 1 43 43 LYS C C 43 175.246 175.246 175.597 -0.351 18018 1777 1 4 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.190 -0.420 18018 1778 1 4 . 1 1 43 43 LYS CB C 43 33.771 33.771 32.917 0.854 18018 1779 1 4 . 1 1 43 43 LYS H H 43 8.079 8.079 7.544 0.535 18018 1780 1 4 . 1 1 44 44 THR N N 44 114.199 114.199 110.088 4.111 18018 1781 1 4 . 1 1 44 44 THR HA H 44 4.749 4.749 4.366 0.383 18018 1782 1 4 . 1 1 44 44 THR C C 44 174.392 174.392 174.500 -0.108 18018 1783 1 4 . 1 1 44 44 THR CA C 44 58.992 58.992 61.078 -2.086 18018 1784 1 4 . 1 1 44 44 THR CB C 44 71.762 71.762 71.903 -0.141 18018 1785 1 4 . 1 1 44 44 THR H H 44 8.934 8.934 8.103 0.831 18018 1786 1 4 . 1 1 45 45 GLY N N 45 109.657 109.657 111.614 -1.957 18018 1787 1 4 . 1 1 45 45 GLY C C 45 175.330 175.330 175.354 -0.024 18018 1788 1 4 . 1 1 45 45 GLY CA C 45 46.145 46.145 45.619 0.526 18018 1789 1 4 . 1 1 45 45 GLY H H 45 8.862 8.862 8.330 0.532 18018 1790 1 4 . 1 1 46 46 ASP N N 46 128.403 128.403 123.237 5.166 18018 1791 1 4 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.511 0.022 18018 1792 1 4 . 1 1 46 46 ASP C C 46 177.343 177.343 177.846 -0.503 18018 1793 1 4 . 1 1 46 46 ASP CA C 46 56.485 56.485 57.138 -0.653 18018 1794 1 4 . 1 1 46 46 ASP CB C 46 39.878 39.878 40.765 -0.887 18018 1795 1 4 . 1 1 46 46 ASP H H 46 9.283 9.283 8.572 0.711 18018 1796 1 4 . 1 1 47 47 ASP N N 47 121.367 121.367 120.385 0.982 18018 1797 1 4 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.426 0.210 18018 1798 1 4 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.522 -1.382 18018 1799 1 4 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.595 -0.619 18018 1800 1 4 . 1 1 47 47 ASP H H 47 8.488 8.488 7.944 0.544 18018 1801 1 4 . 1 1 48 48 ALA N N 48 123.210 123.210 120.548 2.662 18018 1802 1 4 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.108 -0.191 18018 1803 1 4 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.859 -0.812 18018 1804 1 4 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.808 -2.166 18018 1805 1 4 . 1 1 48 48 ALA H H 48 7.235 7.235 7.796 -0.561 18018 1806 1 4 . 1 1 49 49 ARG N N 49 120.088 120.088 119.718 0.370 18018 1807 1 4 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.108 -0.000 18018 1808 1 4 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.834 -0.134 18018 1809 1 4 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.200 -0.635 18018 1810 1 4 . 1 1 49 49 ARG H H 49 7.777 7.777 7.322 0.455 18018 1811 1 4 . 1 1 50 50 ALA N N 50 120.988 120.988 121.525 -0.537 18018 1812 1 4 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.066 0.125 18018 1813 1 4 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.872 -0.789 18018 1814 1 4 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.368 -1.089 18018 1815 1 4 . 1 1 50 50 ALA H H 50 8.350 8.350 8.318 0.032 18018 1816 1 4 . 1 1 51 51 TYR N N 51 119.264 119.264 120.134 -0.870 18018 1817 1 4 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.102 0.099 18018 1818 1 4 . 1 1 51 51 TYR C C 51 178.335 178.335 177.488 0.847 18018 1819 1 4 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.388 -0.300 18018 1820 1 4 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.291 -0.451 18018 1821 1 4 . 1 1 51 51 TYR H H 51 8.054 8.054 8.154 -0.100 18018 1822 1 4 . 1 1 52 52 ALA N N 52 124.002 124.002 118.658 5.344 18018 1823 1 4 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.168 -0.301 18018 1824 1 4 . 1 1 52 52 ALA C C 52 178.352 178.352 177.054 1.298 18018 1825 1 4 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.042 1.028 18018 1826 1 4 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.395 -1.560 18018 1827 1 4 . 1 1 52 52 ALA H H 52 8.611 8.611 8.082 0.529 18018 1828 1 4 . 1 1 53 53 LEU N N 53 116.323 116.323 113.337 2.986 18018 1829 1 4 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.518 -0.234 18018 1830 1 4 . 1 1 53 53 LEU C C 53 177.452 177.452 176.970 0.482 18018 1831 1 4 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.315 1.547 18018 1832 1 4 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.075 -0.800 18018 1833 1 4 . 1 1 53 53 LEU H H 53 7.591 7.591 7.172 0.419 18018 1834 1 4 . 1 1 54 54 THR N N 54 110.782 110.782 114.172 -3.390 18018 1835 1 4 . 1 1 54 54 THR HA H 54 4.392 4.392 4.431 -0.039 18018 1836 1 4 . 1 1 54 54 THR CA C 54 62.390 62.390 62.750 -0.360 18018 1837 1 4 . 1 1 54 54 THR H H 54 7.947 7.947 7.430 0.517 18018 1838 1 4 . 1 1 55 55 VAL N N 55 123.763 123.763 121.180 2.583 18018 1839 1 4 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.114 -0.232 18018 1840 1 4 . 1 1 55 55 VAL CA C 55 62.744 62.744 61.526 1.218 18018 1841 1 4 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.728 -1.857 18018 1842 1 4 . 1 1 55 55 VAL H H 55 7.171 7.171 7.787 -0.616 18018 1843 1 4 . 1 1 56 56 VAL N N 56 118.917 118.917 117.233 1.684 18018 1844 1 4 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.275 0.115 18018 1845 1 4 . 1 1 56 56 VAL CA C 56 60.780 60.780 61.117 -0.338 18018 1846 1 4 . 1 1 56 56 VAL CB C 56 33.490 33.490 34.069 -0.579 18018 1847 1 4 . 1 1 56 56 VAL H H 56 7.409 7.409 7.528 -0.119 18018 1848 1 4 . 1 1 57 57 THR N N 57 115.599 115.599 120.240 -4.641 18018 1849 1 4 . 1 1 57 57 THR HA H 57 4.532 4.532 3.940 0.592 18018 1850 1 4 . 1 1 57 57 THR CA C 57 60.614 60.614 64.888 -4.274 18018 1851 1 4 . 1 1 57 57 THR CB C 57 68.892 68.892 68.677 0.215 18018 1852 1 4 . 1 1 57 57 THR H H 57 7.916 7.916 8.977 -1.061 18018 1853 1 4 . 1 1 58 58 SER N N 58 120.007 120.007 117.210 2.797 18018 1854 1 4 . 1 1 58 58 SER HA H 58 4.547 4.547 4.130 0.417 18018 1855 1 4 . 1 1 58 58 SER CA C 58 57.770 57.770 60.887 -3.117 18018 1856 1 4 . 1 1 58 58 SER CB C 58 63.162 63.162 62.391 0.771 18018 1857 1 4 . 1 1 58 58 SER H H 58 8.580 8.580 8.401 0.179 18018 1858 1 4 . 1 1 59 59 ASP N N 59 122.731 122.731 121.865 0.866 18018 1859 1 4 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.388 0.302 18018 1860 1 4 . 1 1 59 59 ASP CA C 59 53.456 53.456 55.584 -2.127 18018 1861 1 4 . 1 1 59 59 ASP CB C 59 40.748 40.748 39.896 0.852 18018 1862 1 4 . 1 1 59 59 ASP H H 59 8.399 8.399 8.515 -0.116 18018 1863 1 4 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.769 -0.601 18018 1864 1 4 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.372 1.682 18018 1865 1 4 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.208 -4.395 18018 1866 1 4 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.547 0.049 18018 1867 1 4 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.657 0.291 18018 1868 1 4 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.491 -0.964 18018 1869 1 4 . 1 1 64 64 GLY N N 64 110.688 110.688 110.700 -0.012 18018 1870 1 4 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.157 0.513 18018 1871 1 4 . 1 1 64 64 GLY H H 64 8.725 8.725 8.246 0.479 18018 1872 1 4 . 1 1 65 65 ASP N N 65 122.028 122.028 118.378 3.650 18018 1873 1 4 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.354 0.309 18018 1874 1 4 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.789 -0.025 18018 1875 1 4 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.910 -0.448 18018 1876 1 4 . 1 1 65 65 ASP H H 65 8.649 8.649 8.676 -0.027 18018 1877 1 4 . 1 1 67 67 ASP N N 67 120.095 120.095 122.088 -1.993 18018 1878 1 4 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.519 0.062 18018 1879 1 4 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.611 -0.058 18018 1880 1 4 . 1 1 67 67 ASP CB C 67 39.871 39.871 41.061 -1.190 18018 1881 1 4 . 1 1 67 67 ASP H H 67 8.181 8.181 7.764 0.417 18018 1882 1 4 . 1 1 68 68 VAL N N 68 123.206 123.206 120.257 2.949 18018 1883 1 4 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.722 0.095 18018 1884 1 4 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.724 -0.009 18018 1885 1 4 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.596 -0.171 18018 1886 1 4 . 1 1 68 68 VAL H H 68 8.014 8.014 7.740 0.274 18018 1887 1 4 . 1 1 69 69 PHE N N 69 120.318 120.318 119.947 0.371 18018 1888 1 4 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.186 -0.064 18018 1889 1 4 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.284 -0.542 18018 1890 1 4 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.838 -0.597 18018 1891 1 4 . 1 1 69 69 PHE H H 69 8.501 8.501 7.687 0.814 18018 1892 1 4 . 1 1 70 70 ARG N N 70 117.820 117.820 119.316 -1.496 18018 1893 1 4 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.978 -0.266 18018 1894 1 4 . 1 1 70 70 ARG C C 70 178.813 178.813 178.871 -0.058 18018 1895 1 4 . 1 1 70 70 ARG CA C 70 58.846 58.846 60.024 -1.178 18018 1896 1 4 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.959 -0.177 18018 1897 1 4 . 1 1 70 70 ARG H H 70 8.598 8.598 7.911 0.687 18018 1898 1 4 . 1 1 71 71 LYS N N 71 121.726 121.726 120.487 1.239 18018 1899 1 4 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.063 0.160 18018 1900 1 4 . 1 1 71 71 LYS C C 71 177.020 177.020 179.262 -2.242 18018 1901 1 4 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.567 -1.077 18018 1902 1 4 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.456 -0.570 18018 1903 1 4 . 1 1 71 71 LYS H H 71 7.658 7.658 8.195 -0.537 18018 1904 1 4 . 1 1 72 72 LEU N N 72 119.355 119.355 120.204 -0.849 18018 1905 1 4 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.131 -0.106 18018 1906 1 4 . 1 1 72 72 LEU C C 72 177.378 177.378 179.218 -1.840 18018 1907 1 4 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.731 -0.745 18018 1908 1 4 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.285 0.561 18018 1909 1 4 . 1 1 72 72 LEU H H 72 8.173 8.173 8.247 -0.074 18018 1910 1 4 . 1 1 73 73 ALA N N 73 121.169 121.169 121.868 -0.699 18018 1911 1 4 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.789 -0.057 18018 1912 1 4 . 1 1 73 73 ALA C C 73 179.644 179.644 179.078 0.566 18018 1913 1 4 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.819 -0.995 18018 1914 1 4 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.105 -1.569 18018 1915 1 4 . 1 1 73 73 ALA H H 73 9.151 9.151 8.383 0.768 18018 1916 1 4 . 1 1 74 74 ALA N N 74 119.383 119.383 118.413 0.970 18018 1917 1 4 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.097 0.266 18018 1918 1 4 . 1 1 74 74 ALA C C 74 179.752 179.752 178.298 1.454 18018 1919 1 4 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.408 -0.884 18018 1920 1 4 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.478 -0.834 18018 1921 1 4 . 1 1 74 74 ALA H H 74 7.379 7.379 7.901 -0.522 18018 1922 1 4 . 1 1 75 75 ASP N N 75 120.226 120.226 117.360 2.866 18018 1923 1 4 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.779 -0.284 18018 1924 1 4 . 1 1 75 75 ASP C C 75 177.704 177.704 176.630 1.074 18018 1925 1 4 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.608 0.378 18018 1926 1 4 . 1 1 75 75 ASP CB C 75 38.944 38.944 42.573 -3.629 18018 1927 1 4 . 1 1 75 75 ASP H H 75 8.474 8.474 7.667 0.807 18018 1928 1 4 . 1 1 76 76 LEU N N 76 115.468 115.468 117.554 -2.086 18018 1929 1 4 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.427 -0.035 18018 1930 1 4 . 1 1 76 76 LEU C C 76 174.790 174.790 175.857 -1.067 18018 1931 1 4 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.693 -1.069 18018 1932 1 4 . 1 1 76 76 LEU CB C 76 40.199 40.199 42.649 -2.450 18018 1933 1 4 . 1 1 76 76 LEU H H 76 8.599 8.599 7.842 0.757 18018 1934 1 4 . 1 1 77 77 GLU N N 77 124.833 124.833 122.114 2.719 18018 1935 1 4 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.038 0.302 18018 1936 1 4 . 1 1 77 77 GLU C C 77 176.953 176.953 177.214 -0.261 18018 1937 1 4 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.177 0.134 18018 1938 1 4 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.424 -0.809 18018 1939 1 4 . 1 1 77 77 GLU H H 77 7.115 7.115 7.775 -0.660 18018 1940 1 4 . 1 1 78 78 GLY N N 78 118.193 118.193 113.774 4.419 18018 1941 1 4 . 1 1 78 78 GLY C C 78 173.075 173.075 174.957 -1.882 18018 1942 1 4 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.900 -0.795 18018 1943 1 4 . 1 1 78 78 GLY H H 78 9.371 9.371 8.547 0.824 18018 1944 1 4 . 1 1 79 79 LYS N N 79 120.237 120.237 120.311 -0.074 18018 1945 1 4 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.277 0.354 18018 1946 1 4 . 1 1 79 79 LYS C C 79 175.050 175.050 175.456 -0.406 18018 1947 1 4 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.146 -0.921 18018 1948 1 4 . 1 1 79 79 LYS CB C 79 34.062 34.062 33.916 0.146 18018 1949 1 4 . 1 1 79 79 LYS H H 79 8.799 8.799 8.177 0.622 18018 1950 1 4 . 1 1 80 80 ALA N N 80 121.135 121.135 122.111 -0.976 18018 1951 1 4 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.582 0.282 18018 1952 1 4 . 1 1 80 80 ALA C C 80 174.051 174.051 175.415 -1.364 18018 1953 1 4 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.855 -0.984 18018 1954 1 4 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.616 0.512 18018 1955 1 4 . 1 1 80 80 ALA H H 80 8.126 8.126 7.769 0.357 18018 1956 1 4 . 1 1 81 81 ASP N N 81 121.569 121.569 122.777 -1.208 18018 1957 1 4 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.765 0.103 18018 1958 1 4 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.425 -2.455 18018 1959 1 4 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.191 -0.905 18018 1960 1 4 . 1 1 81 81 ASP H H 81 8.283 8.283 8.548 -0.265 18018 1961 1 4 . 1 1 82 82 GLU N N 82 120.044 120.044 121.160 -1.116 18018 1962 1 4 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.287 -0.121 18018 1963 1 4 . 1 1 82 82 GLU C C 82 177.350 177.350 178.654 -1.304 18018 1964 1 4 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.065 0.153 18018 1965 1 4 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.908 -1.283 18018 1966 1 4 . 1 1 82 82 GLU H H 82 8.891 8.891 8.891 -0.000 18018 1967 1 4 . 1 1 83 83 GLU N N 83 119.348 119.348 117.670 1.678 18018 1968 1 4 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.140 0.007 18018 1969 1 4 . 1 1 83 83 GLU C C 83 178.794 178.794 177.574 1.220 18018 1970 1 4 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.658 0.424 18018 1971 1 4 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.564 -1.189 18018 1972 1 4 . 1 1 83 83 GLU H H 83 8.827 8.827 8.718 0.109 18018 1973 1 4 . 1 1 84 84 THR N N 84 119.678 119.678 112.041 7.637 18018 1974 1 4 . 1 1 84 84 THR HA H 84 4.131 4.131 4.304 -0.173 18018 1975 1 4 . 1 1 84 84 THR C C 84 176.165 176.165 175.441 0.724 18018 1976 1 4 . 1 1 84 84 THR CA C 84 66.422 66.422 64.051 2.371 18018 1977 1 4 . 1 1 84 84 THR CB C 84 65.645 65.645 69.763 -4.119 18018 1978 1 4 . 1 1 84 84 THR H H 84 8.552 8.552 7.857 0.695 18018 1979 1 4 . 1 1 85 85 ILE N N 85 123.677 123.677 124.315 -0.638 18018 1980 1 4 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.602 0.217 18018 1981 1 4 . 1 1 85 85 ILE C C 85 174.809 174.809 177.325 -2.516 18018 1982 1 4 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.593 -1.010 18018 1983 1 4 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.929 0.561 18018 1984 1 4 . 1 1 85 85 ILE H H 85 8.571 8.571 8.655 -0.084 18018 1985 1 4 . 1 1 86 86 ARG N N 86 119.556 119.556 118.909 0.647 18018 1986 1 4 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.062 0.109 18018 1987 1 4 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.281 0.338 18018 1988 1 4 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.799 -0.941 18018 1989 1 4 . 1 1 86 86 ARG H H 86 9.093 9.093 8.040 1.053 18018 1990 1 4 . 1 1 87 87 ALA N N 87 121.431 121.431 122.487 -1.056 18018 1991 1 4 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.006 0.282 18018 1992 1 4 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.269 -1.114 18018 1993 1 4 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.936 -0.864 18018 1994 1 4 . 1 1 87 87 ALA H H 87 8.206 8.206 7.677 0.529 18018 1995 1 4 . 1 1 88 88 LYS N N 88 122.850 122.850 118.445 4.405 18018 1996 1 4 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.750 0.232 18018 1997 1 4 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.826 -2.953 18018 1998 1 4 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.581 -1.758 18018 1999 1 4 . 1 1 88 88 LYS H H 88 8.145 8.145 7.936 0.209 18018 2000 1 4 . 1 1 89 89 MET N N 89 118.786 118.786 118.922 -0.136 18018 2001 1 4 . 1 1 89 89 MET HA H 89 3.810 3.810 4.051 -0.241 18018 2002 1 4 . 1 1 89 89 MET CA C 89 60.096 60.096 58.880 1.216 18018 2003 1 4 . 1 1 89 89 MET CB C 89 32.329 32.329 32.652 -0.323 18018 2004 1 4 . 1 1 89 89 MET H H 89 8.468 8.468 7.710 0.758 18018 2005 1 4 . 1 1 90 90 VAL N N 90 120.770 120.770 119.762 1.008 18018 2006 1 4 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.675 0.152 18018 2007 1 4 . 1 1 90 90 VAL C C 90 178.017 178.017 178.350 -0.333 18018 2008 1 4 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.394 -0.769 18018 2009 1 4 . 1 1 90 90 VAL CB C 90 31.739 31.739 30.954 0.785 18018 2010 1 4 . 1 1 90 90 VAL H H 90 7.504 7.504 8.147 -0.643 18018 2011 1 4 . 1 1 91 91 GLU N N 91 124.409 124.409 118.464 5.945 18018 2012 1 4 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.114 -0.326 18018 2013 1 4 . 1 1 91 91 GLU C C 91 177.612 177.612 177.134 0.478 18018 2014 1 4 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.704 -0.290 18018 2015 1 4 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.340 2.104 18018 2016 1 4 . 1 1 91 91 GLU H H 91 8.486 8.486 8.252 0.234 18018 2017 1 4 . 1 1 92 92 LEU N N 92 114.680 114.680 116.993 -2.313 18018 2018 1 4 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.523 -0.133 18018 2019 1 4 . 1 1 92 92 LEU C C 92 177.928 177.928 177.807 0.121 18018 2020 1 4 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.536 1.098 18018 2021 1 4 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.865 -2.524 18018 2022 1 4 . 1 1 92 92 LEU H H 92 8.823 8.823 7.283 1.540 18018 2023 1 4 . 1 1 93 93 ARG N N 93 123.603 123.603 121.775 1.828 18018 2024 1 4 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.155 -0.212 18018 2025 1 4 . 1 1 93 93 ARG C C 93 176.350 176.350 177.790 -1.440 18018 2026 1 4 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.813 0.768 18018 2027 1 4 . 1 1 93 93 ARG CB C 93 28.903 28.903 30.164 -1.261 18018 2028 1 4 . 1 1 93 93 ARG H H 93 7.690 7.690 8.429 -0.739 18018 2029 1 4 . 1 1 94 94 ALA N N 94 122.480 122.480 120.834 1.646 18018 2030 1 4 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.327 -0.066 18018 2031 1 4 . 1 1 94 94 ALA C C 94 179.805 179.805 179.330 0.475 18018 2032 1 4 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.240 -0.711 18018 2033 1 4 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.145 -1.209 18018 2034 1 4 . 1 1 94 94 ALA H H 94 7.269 7.269 7.607 -0.338 18018 2035 1 4 . 1 1 95 95 THR N N 95 116.936 116.936 114.363 2.573 18018 2036 1 4 . 1 1 95 95 THR HA H 95 4.045 4.045 3.943 0.102 18018 2037 1 4 . 1 1 95 95 THR C C 95 175.007 175.007 176.204 -1.197 18018 2038 1 4 . 1 1 95 95 THR CA C 95 65.569 65.569 66.638 -1.069 18018 2039 1 4 . 1 1 95 95 THR CB C 95 68.334 68.334 68.350 -0.016 18018 2040 1 4 . 1 1 95 95 THR H H 95 8.282 8.282 8.294 -0.012 18018 2041 1 4 . 1 1 96 96 ALA N N 96 124.095 124.095 123.721 0.374 18018 2042 1 4 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.006 -0.144 18018 2043 1 4 . 1 1 96 96 ALA C C 96 178.184 178.184 179.466 -1.282 18018 2044 1 4 . 1 1 96 96 ALA CA C 96 54.749 54.749 55.096 -0.347 18018 2045 1 4 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.225 0.545 18018 2046 1 4 . 1 1 96 96 ALA H H 96 8.681 8.681 7.875 0.806 18018 2047 1 4 . 1 1 97 97 ARG N N 97 117.328 117.328 117.879 -0.551 18018 2048 1 4 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.984 -0.198 18018 2049 1 4 . 1 1 97 97 ARG C C 97 176.770 176.770 178.883 -2.113 18018 2050 1 4 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.549 0.012 18018 2051 1 4 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.111 -0.495 18018 2052 1 4 . 1 1 97 97 ARG H H 97 8.070 8.070 7.511 0.559 18018 2053 1 4 . 1 1 98 98 GLU N N 98 118.245 118.245 118.809 -0.564 18018 2054 1 4 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.052 0.063 18018 2055 1 4 . 1 1 98 98 GLU C C 98 178.865 178.865 178.983 -0.118 18018 2056 1 4 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.979 -0.490 18018 2057 1 4 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.562 -1.050 18018 2058 1 4 . 1 1 98 98 GLU H H 98 7.855 7.855 7.804 0.051 18018 2059 1 4 . 1 1 99 99 GLN N N 99 119.735 119.735 118.734 1.001 18018 2060 1 4 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.940 0.231 18018 2061 1 4 . 1 1 99 99 GLN C C 99 178.146 178.146 178.870 -0.724 18018 2062 1 4 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.802 -0.557 18018 2063 1 4 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.545 -1.451 18018 2064 1 4 . 1 1 99 99 GLN H H 99 8.312 8.312 8.403 -0.091 18018 2065 1 4 . 1 1 100 100 ILE N N 100 119.864 119.864 119.793 0.071 18018 2066 1 4 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.659 0.291 18018 2067 1 4 . 1 1 100 100 ILE C C 100 178.315 178.315 178.150 0.165 18018 2068 1 4 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.924 -2.320 18018 2069 1 4 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.309 -0.813 18018 2070 1 4 . 1 1 100 100 ILE H H 100 8.445 8.445 7.588 0.857 18018 2071 1 4 . 1 1 101 101 ILE N N 101 120.514 120.514 118.459 2.055 18018 2072 1 4 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.742 0.270 18018 2073 1 4 . 1 1 101 101 ILE C C 101 177.006 177.006 178.538 -1.532 18018 2074 1 4 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.278 0.699 18018 2075 1 4 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.001 0.660 18018 2076 1 4 . 1 1 101 101 ILE H H 101 8.329 8.329 7.874 0.455 18018 2077 1 4 . 1 1 102 102 SER N N 102 116.172 116.172 115.073 1.099 18018 2078 1 4 . 1 1 102 102 SER HA H 102 4.562 4.562 4.324 0.238 18018 2079 1 4 . 1 1 102 102 SER C C 102 173.845 173.845 175.212 -1.367 18018 2080 1 4 . 1 1 102 102 SER CA C 102 59.502 59.502 60.471 -0.969 18018 2081 1 4 . 1 1 102 102 SER CB C 102 63.012 63.012 63.299 -0.287 18018 2082 1 4 . 1 1 102 102 SER H H 102 7.882 7.882 7.917 -0.035 18018 2083 1 4 . 1 1 103 103 GLU N N 103 122.642 122.642 118.922 3.720 18018 2084 1 4 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.388 0.052 18018 2085 1 4 . 1 1 103 103 GLU C C 103 175.095 175.095 176.524 -1.429 18018 2086 1 4 . 1 1 103 103 GLU CA C 103 55.628 55.628 55.668 -0.040 18018 2087 1 4 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.116 -0.303 18018 2088 1 4 . 1 1 103 103 GLU H H 103 7.735 7.735 7.780 -0.045 18018 2089 1 5 . 1 1 4 4 PHE N N 4 122.548 122.548 120.655 1.893 18018 2090 1 5 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.318 0.365 18018 2091 1 5 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.048 -0.441 18018 2092 1 5 . 1 1 4 4 PHE CB C 4 38.895 38.895 40.013 -1.118 18018 2093 1 5 . 1 1 4 4 PHE H H 4 8.328 8.328 8.904 -0.576 18018 2094 1 5 . 1 1 7 7 ARG N N 7 121.962 121.962 117.792 4.170 18018 2095 1 5 . 1 1 7 7 ARG HA H 7 4.256 4.256 3.946 0.310 18018 2096 1 5 . 1 1 7 7 ARG C C 7 176.683 176.683 175.128 1.555 18018 2097 1 5 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.259 -0.172 18018 2098 1 5 . 1 1 7 7 ARG CB C 7 29.362 29.362 28.604 0.758 18018 2099 1 5 . 1 1 7 7 ARG H H 7 8.321 8.321 8.322 -0.001 18018 2100 1 5 . 1 1 8 8 GLU N N 8 121.095 121.095 120.532 0.563 18018 2101 1 5 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.413 -0.162 18018 2102 1 5 . 1 1 8 8 GLU C C 8 176.964 176.964 176.589 0.375 18018 2103 1 5 . 1 1 8 8 GLU CA C 8 56.933 56.933 56.147 0.786 18018 2104 1 5 . 1 1 8 8 GLU CB C 8 28.855 28.855 30.017 -1.163 18018 2105 1 5 . 1 1 8 8 GLU H H 8 8.388 8.388 7.791 0.597 18018 2106 1 5 . 1 1 9 9 ARG N N 9 121.310 121.310 121.508 -0.198 18018 2107 1 5 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.870 0.470 18018 2108 1 5 . 1 1 9 9 ARG C C 9 176.563 176.563 174.867 1.696 18018 2109 1 5 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.099 -0.687 18018 2110 1 5 . 1 1 9 9 ARG CB C 9 29.669 29.669 27.385 2.284 18018 2111 1 5 . 1 1 9 9 ARG H H 9 8.268 8.268 8.705 -0.437 18018 2112 1 5 . 1 1 10 10 ALA N N 10 124.224 124.224 119.971 4.253 18018 2113 1 5 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.187 0.131 18018 2114 1 5 . 1 1 10 10 ALA C C 10 178.129 178.129 176.105 2.024 18018 2115 1 5 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.362 0.585 18018 2116 1 5 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.922 -2.166 18018 2117 1 5 . 1 1 10 10 ALA H H 10 8.222 8.222 7.667 0.555 18018 2118 1 5 . 1 1 11 11 HIS N N 11 118.081 118.081 116.950 1.131 18018 2119 1 5 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.849 -0.150 18018 2120 1 5 . 1 1 11 11 HIS C C 11 175.013 175.013 175.973 -0.960 18018 2121 1 5 . 1 1 11 11 HIS CA C 11 56.255 56.255 55.703 0.553 18018 2122 1 5 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.817 -3.050 18018 2123 1 5 . 1 1 11 11 HIS H H 11 8.486 8.486 7.983 0.503 18018 2124 1 5 . 1 1 12 12 GLU N N 12 121.492 121.492 121.166 0.326 18018 2125 1 5 . 1 1 12 12 GLU HA H 12 4.278 4.278 3.996 0.282 18018 2126 1 5 . 1 1 12 12 GLU C C 12 176.808 176.808 177.732 -0.924 18018 2127 1 5 . 1 1 12 12 GLU CA C 12 57.621 57.621 59.376 -1.754 18018 2128 1 5 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.198 -0.345 18018 2129 1 5 . 1 1 12 12 GLU H H 12 8.370 8.370 9.268 -0.898 18018 2130 1 5 . 1 1 13 13 ALA N N 13 123.583 123.583 121.714 1.869 18018 2131 1 5 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.037 0.267 18018 2132 1 5 . 1 1 13 13 ALA C C 13 178.197 178.197 178.982 -0.785 18018 2133 1 5 . 1 1 13 13 ALA CA C 13 54.051 54.051 55.616 -1.565 18018 2134 1 5 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.643 -0.855 18018 2135 1 5 . 1 1 13 13 ALA H H 13 8.426 8.426 8.065 0.361 18018 2136 1 5 . 1 1 14 14 LYS N N 14 119.772 119.772 117.674 2.098 18018 2137 1 5 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.837 0.381 18018 2138 1 5 . 1 1 14 14 LYS C C 14 176.757 176.757 178.586 -1.829 18018 2139 1 5 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.958 -1.848 18018 2140 1 5 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.769 -0.026 18018 2141 1 5 . 1 1 14 14 LYS H H 14 8.073 8.073 8.240 -0.167 18018 2142 1 5 . 1 1 15 15 PHE N N 15 118.073 118.073 117.624 0.449 18018 2143 1 5 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.458 -0.014 18018 2144 1 5 . 1 1 15 15 PHE C C 15 175.635 175.635 178.037 -2.402 18018 2145 1 5 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.482 -1.481 18018 2146 1 5 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.777 -0.286 18018 2147 1 5 . 1 1 15 15 PHE H H 15 7.926 7.926 7.382 0.544 18018 2148 1 5 . 1 1 16 16 ALA N N 16 122.453 122.453 121.621 0.832 18018 2149 1 5 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.086 0.220 18018 2150 1 5 . 1 1 16 16 ALA C C 16 177.641 177.641 178.822 -1.181 18018 2151 1 5 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.663 -1.611 18018 2152 1 5 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.546 -0.525 18018 2153 1 5 . 1 1 16 16 ALA H H 16 8.137 8.137 8.859 -0.722 18018 2154 1 5 . 1 1 17 17 HIS N N 17 115.587 115.587 115.324 0.263 18018 2155 1 5 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.595 0.230 18018 2156 1 5 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.194 -1.099 18018 2157 1 5 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.731 -0.773 18018 2158 1 5 . 1 1 17 17 HIS H H 17 8.051 8.051 8.155 -0.104 18018 2159 1 5 . 1 1 18 18 ASP N N 18 121.432 121.432 117.775 3.657 18018 2160 1 5 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.328 0.462 18018 2161 1 5 . 1 1 18 18 ASP CA C 18 53.582 53.582 56.124 -2.542 18018 2162 1 5 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.133 0.654 18018 2163 1 5 . 1 1 18 18 ASP H H 18 7.913 7.913 8.022 -0.109 18018 2164 1 5 . 1 1 19 19 ALA N N 19 126.983 126.983 121.384 5.599 18018 2165 1 5 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.865 0.431 18018 2166 1 5 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.500 -0.453 18018 2167 1 5 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.305 0.554 18018 2168 1 5 . 1 1 19 19 ALA H H 19 8.599 8.599 8.459 0.140 18018 2169 1 5 . 1 1 20 20 GLU N N 20 119.997 119.997 120.158 -0.161 18018 2170 1 5 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.008 0.321 18018 2171 1 5 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.337 -0.959 18018 2172 1 5 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.327 -0.450 18018 2173 1 5 . 1 1 20 20 GLU H H 20 8.377 8.377 7.914 0.463 18018 2174 1 5 . 1 1 21 21 LEU N N 21 122.484 122.484 120.081 2.403 18018 2175 1 5 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.329 -0.166 18018 2176 1 5 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.765 -1.640 18018 2177 1 5 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.748 -0.718 18018 2178 1 5 . 1 1 21 21 LEU H H 21 8.117 8.117 8.527 -0.410 18018 2179 1 5 . 1 1 22 22 ASN N N 22 117.879 117.879 117.891 -0.012 18018 2180 1 5 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.426 0.266 18018 2181 1 5 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.572 -0.234 18018 2182 1 5 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.949 2.189 18018 2183 1 5 . 1 1 22 22 ASN H H 22 8.507 8.507 8.388 0.119 18018 2184 1 5 . 1 1 23 23 PHE N N 23 121.096 121.096 120.411 0.685 18018 2185 1 5 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.277 0.186 18018 2186 1 5 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.464 -1.225 18018 2187 1 5 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.995 -0.962 18018 2188 1 5 . 1 1 23 23 PHE H H 23 8.465 8.465 8.260 0.205 18018 2189 1 5 . 1 1 24 24 LYS N N 24 120.580 120.580 119.219 1.361 18018 2190 1 5 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.018 0.153 18018 2191 1 5 . 1 1 24 24 LYS C C 24 179.309 179.309 179.059 0.250 18018 2192 1 5 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.751 -0.710 18018 2193 1 5 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.390 -0.003 18018 2194 1 5 . 1 1 24 24 LYS H H 24 8.427 8.427 8.394 0.033 18018 2195 1 5 . 1 1 25 25 ALA N N 25 123.682 123.682 120.639 3.043 18018 2196 1 5 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.157 -0.036 18018 2197 1 5 . 1 1 25 25 ALA C C 25 178.243 178.243 179.529 -1.286 18018 2198 1 5 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.109 -0.644 18018 2199 1 5 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.351 -0.652 18018 2200 1 5 . 1 1 25 25 ALA H H 25 8.768 8.768 8.547 0.221 18018 2201 1 5 . 1 1 26 26 GLU N N 26 122.051 122.051 118.943 3.108 18018 2202 1 5 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.050 -0.029 18018 2203 1 5 . 1 1 26 26 GLU C C 26 177.265 177.265 178.768 -1.503 18018 2204 1 5 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.423 -0.962 18018 2205 1 5 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.446 -0.684 18018 2206 1 5 . 1 1 26 26 GLU H H 26 8.532 8.532 7.762 0.770 18018 2207 1 5 . 1 1 27 27 ALA N N 27 122.124 122.124 122.260 -0.136 18018 2208 1 5 . 1 1 27 27 ALA HA H 27 4.325 4.325 3.994 0.331 18018 2209 1 5 . 1 1 27 27 ALA C C 27 180.552 180.552 179.741 0.811 18018 2210 1 5 . 1 1 27 27 ALA CA C 27 54.169 54.169 55.045 -0.876 18018 2211 1 5 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.372 -1.262 18018 2212 1 5 . 1 1 27 27 ALA H H 27 8.048 8.048 7.517 0.531 18018 2213 1 5 . 1 1 28 28 ARG N N 28 120.501 120.501 118.964 1.537 18018 2214 1 5 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.029 0.383 18018 2215 1 5 . 1 1 28 28 ARG C C 28 176.309 176.309 178.720 -2.411 18018 2216 1 5 . 1 1 28 28 ARG CA C 28 55.969 55.969 59.073 -3.104 18018 2217 1 5 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.071 -3.156 18018 2218 1 5 . 1 1 28 28 ARG H H 28 8.046 8.046 8.160 -0.114 18018 2219 1 5 . 1 1 29 29 ARG N N 29 122.842 122.842 118.422 4.420 18018 2220 1 5 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.021 -0.323 18018 2221 1 5 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.096 0.320 18018 2222 1 5 . 1 1 29 29 ARG CB C 29 28.148 28.148 28.879 -0.731 18018 2223 1 5 . 1 1 29 29 ARG H H 29 8.908 8.908 8.261 0.647 18018 2224 1 5 . 1 1 30 30 ASN N N 30 120.150 120.150 117.897 2.253 18018 2225 1 5 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.554 0.080 18018 2226 1 5 . 1 1 30 30 ASN C C 30 175.888 175.888 177.708 -1.820 18018 2227 1 5 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.589 -0.182 18018 2228 1 5 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.083 -2.148 18018 2229 1 5 . 1 1 30 30 ASN H H 30 8.402 8.402 7.969 0.433 18018 2230 1 5 . 1 1 31 31 ARG N N 31 123.400 123.400 121.957 1.443 18018 2231 1 5 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.099 0.183 18018 2232 1 5 . 1 1 31 31 ARG C C 31 177.804 177.804 178.284 -0.480 18018 2233 1 5 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.550 -0.600 18018 2234 1 5 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.206 -1.085 18018 2235 1 5 . 1 1 31 31 ARG H H 31 7.996 7.996 7.714 0.282 18018 2236 1 5 . 1 1 32 32 LEU N N 32 119.872 119.872 119.774 0.098 18018 2237 1 5 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.046 0.245 18018 2238 1 5 . 1 1 32 32 LEU C C 32 180.602 180.602 179.455 1.147 18018 2239 1 5 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.971 -0.725 18018 2240 1 5 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.608 -0.439 18018 2241 1 5 . 1 1 32 32 LEU H H 32 8.742 8.742 7.698 1.044 18018 2242 1 5 . 1 1 33 33 LEU N N 33 124.468 124.468 118.991 5.477 18018 2243 1 5 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.261 0.040 18018 2244 1 5 . 1 1 33 33 LEU C C 33 177.992 177.992 179.335 -1.343 18018 2245 1 5 . 1 1 33 33 LEU CA C 33 57.015 57.015 58.195 -1.180 18018 2246 1 5 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.682 0.557 18018 2247 1 5 . 1 1 33 33 LEU H H 33 9.249 9.249 7.981 1.268 18018 2248 1 5 . 1 1 34 34 GLY N N 34 109.045 109.045 107.159 1.886 18018 2249 1 5 . 1 1 34 34 GLY C C 34 174.530 174.530 176.149 -1.619 18018 2250 1 5 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.210 0.237 18018 2251 1 5 . 1 1 34 34 GLY H H 34 8.873 8.873 7.944 0.929 18018 2252 1 5 . 1 1 35 35 GLU N N 35 123.414 123.414 122.623 0.791 18018 2253 1 5 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.151 0.026 18018 2254 1 5 . 1 1 35 35 GLU C C 35 178.866 178.866 178.958 -0.092 18018 2255 1 5 . 1 1 35 35 GLU CA C 35 59.031 59.031 59.449 -0.418 18018 2256 1 5 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.392 -0.429 18018 2257 1 5 . 1 1 35 35 GLU H H 35 8.920 8.920 8.680 0.240 18018 2258 1 5 . 1 1 36 36 TRP N N 36 124.774 124.774 122.082 2.692 18018 2259 1 5 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.189 0.394 18018 2260 1 5 . 1 1 36 36 TRP C C 36 177.618 177.618 177.873 -0.255 18018 2261 1 5 . 1 1 36 36 TRP CA C 36 59.618 59.618 61.152 -1.534 18018 2262 1 5 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.012 -2.418 18018 2263 1 5 . 1 1 36 36 TRP H H 36 8.510 8.510 8.503 0.007 18018 2264 1 5 . 1 1 37 37 ALA N N 37 123.777 123.777 119.546 4.231 18018 2265 1 5 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.210 0.167 18018 2266 1 5 . 1 1 37 37 ALA C C 37 177.427 177.427 179.105 -1.678 18018 2267 1 5 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.382 -0.533 18018 2268 1 5 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.602 1.444 18018 2269 1 5 . 1 1 37 37 ALA H H 37 9.122 9.122 7.821 1.301 18018 2270 1 5 . 1 1 38 38 ALA N N 38 119.259 119.259 119.600 -0.341 18018 2271 1 5 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.584 -0.090 18018 2272 1 5 . 1 1 38 38 ALA C C 38 178.670 178.670 179.337 -0.667 18018 2273 1 5 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.991 -0.548 18018 2274 1 5 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.056 -0.367 18018 2275 1 5 . 1 1 38 38 ALA H H 38 8.772 8.772 8.259 0.513 18018 2276 1 5 . 1 1 39 39 GLY N N 39 104.027 104.027 105.412 -1.385 18018 2277 1 5 . 1 1 39 39 GLY C C 39 177.232 177.232 176.129 1.103 18018 2278 1 5 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.629 -0.207 18018 2279 1 5 . 1 1 39 39 GLY H H 39 7.733 7.733 7.761 -0.028 18018 2280 1 5 . 1 1 40 40 LEU N N 40 125.448 125.448 120.933 4.515 18018 2281 1 5 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.953 0.132 18018 2282 1 5 . 1 1 40 40 LEU C C 40 178.203 178.203 178.391 -0.188 18018 2283 1 5 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.106 0.612 18018 2284 1 5 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.905 -0.566 18018 2285 1 5 . 1 1 40 40 LEU H H 40 7.492 7.492 7.056 0.436 18018 2286 1 5 . 1 1 41 41 LEU N N 41 117.234 117.234 115.244 1.990 18018 2287 1 5 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.966 0.141 18018 2288 1 5 . 1 1 41 41 LEU C C 41 176.119 176.119 177.776 -1.657 18018 2289 1 5 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.065 -2.183 18018 2290 1 5 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.899 -0.246 18018 2291 1 5 . 1 1 41 41 LEU H H 41 7.676 7.676 7.823 -0.147 18018 2292 1 5 . 1 1 42 42 GLY N N 42 109.595 109.595 105.145 4.450 18018 2293 1 5 . 1 1 42 42 GLY C C 42 173.775 173.775 175.057 -1.282 18018 2294 1 5 . 1 1 42 42 GLY CA C 42 45.248 45.248 45.266 -0.018 18018 2295 1 5 . 1 1 42 42 GLY H H 42 7.869 7.869 7.322 0.547 18018 2296 1 5 . 1 1 43 43 LYS N N 43 119.965 119.965 120.914 -0.949 18018 2297 1 5 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.374 0.338 18018 2298 1 5 . 1 1 43 43 LYS C C 43 175.246 175.246 176.074 -0.828 18018 2299 1 5 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.828 -1.058 18018 2300 1 5 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.361 0.410 18018 2301 1 5 . 1 1 43 43 LYS H H 43 8.079 8.079 8.127 -0.048 18018 2302 1 5 . 1 1 44 44 THR N N 44 114.199 114.199 109.484 4.715 18018 2303 1 5 . 1 1 44 44 THR HA H 44 4.749 4.749 4.425 0.324 18018 2304 1 5 . 1 1 44 44 THR C C 44 174.392 174.392 174.141 0.251 18018 2305 1 5 . 1 1 44 44 THR CA C 44 58.992 58.992 60.601 -1.609 18018 2306 1 5 . 1 1 44 44 THR CB C 44 71.762 71.762 71.751 0.011 18018 2307 1 5 . 1 1 44 44 THR H H 44 8.934 8.934 7.976 0.958 18018 2308 1 5 . 1 1 45 45 GLY N N 45 109.657 109.657 111.407 -1.750 18018 2309 1 5 . 1 1 45 45 GLY C C 45 175.330 175.330 175.107 0.223 18018 2310 1 5 . 1 1 45 45 GLY CA C 45 46.145 46.145 45.659 0.486 18018 2311 1 5 . 1 1 45 45 GLY H H 45 8.862 8.862 8.496 0.366 18018 2312 1 5 . 1 1 46 46 ASP N N 46 128.403 128.403 124.645 3.758 18018 2313 1 5 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.609 -0.076 18018 2314 1 5 . 1 1 46 46 ASP C C 46 177.343 177.343 177.721 -0.378 18018 2315 1 5 . 1 1 46 46 ASP CA C 46 56.485 56.485 56.299 0.186 18018 2316 1 5 . 1 1 46 46 ASP CB C 46 39.878 39.878 40.572 -0.694 18018 2317 1 5 . 1 1 46 46 ASP H H 46 9.283 9.283 8.653 0.630 18018 2318 1 5 . 1 1 47 47 ASP N N 47 121.367 121.367 120.794 0.573 18018 2319 1 5 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.354 0.282 18018 2320 1 5 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.669 -1.530 18018 2321 1 5 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.638 -0.662 18018 2322 1 5 . 1 1 47 47 ASP H H 47 8.488 8.488 7.867 0.621 18018 2323 1 5 . 1 1 48 48 ALA N N 48 123.210 123.210 122.534 0.676 18018 2324 1 5 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.996 -0.079 18018 2325 1 5 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.000 -0.953 18018 2326 1 5 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.671 -2.029 18018 2327 1 5 . 1 1 48 48 ALA H H 48 7.235 7.235 7.676 -0.441 18018 2328 1 5 . 1 1 49 49 ARG N N 49 120.088 120.088 119.354 0.734 18018 2329 1 5 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.965 0.143 18018 2330 1 5 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.664 -0.964 18018 2331 1 5 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.221 -0.656 18018 2332 1 5 . 1 1 49 49 ARG H H 49 7.777 7.777 7.708 0.069 18018 2333 1 5 . 1 1 50 50 ALA N N 50 120.988 120.988 122.200 -1.212 18018 2334 1 5 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.047 0.144 18018 2335 1 5 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.993 -0.910 18018 2336 1 5 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.141 -0.862 18018 2337 1 5 . 1 1 50 50 ALA H H 50 8.350 8.350 8.157 0.193 18018 2338 1 5 . 1 1 51 51 TYR N N 51 119.264 119.264 119.885 -0.621 18018 2339 1 5 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.023 0.178 18018 2340 1 5 . 1 1 51 51 TYR C C 51 178.335 178.335 178.285 0.050 18018 2341 1 5 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.395 -0.308 18018 2342 1 5 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.404 -0.564 18018 2343 1 5 . 1 1 51 51 TYR H H 51 8.054 8.054 8.046 0.008 18018 2344 1 5 . 1 1 52 52 ALA N N 52 124.002 124.002 121.971 2.031 18018 2345 1 5 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.107 -0.240 18018 2346 1 5 . 1 1 52 52 ALA C C 52 178.352 178.352 179.877 -1.525 18018 2347 1 5 . 1 1 52 52 ALA CA C 52 55.070 55.070 55.070 0.000 18018 2348 1 5 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.694 -1.859 18018 2349 1 5 . 1 1 52 52 ALA H H 52 8.611 8.611 8.435 0.176 18018 2350 1 5 . 1 1 53 53 LEU N N 53 116.323 116.323 115.004 1.319 18018 2351 1 5 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.260 0.024 18018 2352 1 5 . 1 1 53 53 LEU C C 53 177.452 177.452 178.449 -0.997 18018 2353 1 5 . 1 1 53 53 LEU CA C 53 55.862 55.862 55.835 0.027 18018 2354 1 5 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.448 -0.173 18018 2355 1 5 . 1 1 53 53 LEU H H 53 7.591 7.591 8.600 -1.009 18018 2356 1 5 . 1 1 54 54 THR N N 54 110.782 110.782 115.512 -4.730 18018 2357 1 5 . 1 1 54 54 THR HA H 54 4.392 4.392 4.106 0.286 18018 2358 1 5 . 1 1 54 54 THR CA C 54 62.390 62.390 65.156 -2.766 18018 2359 1 5 . 1 1 54 54 THR H H 54 7.947 7.947 7.687 0.260 18018 2360 1 5 . 1 1 55 55 VAL N N 55 123.763 123.763 118.077 5.686 18018 2361 1 5 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.013 -0.131 18018 2362 1 5 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.839 -0.095 18018 2363 1 5 . 1 1 55 55 VAL CB C 55 29.871 29.871 32.008 -2.137 18018 2364 1 5 . 1 1 55 55 VAL H H 55 7.171 7.171 7.981 -0.810 18018 2365 1 5 . 1 1 56 56 VAL N N 56 118.917 118.917 121.442 -2.525 18018 2366 1 5 . 1 1 56 56 VAL HA H 56 4.390 4.390 3.949 0.441 18018 2367 1 5 . 1 1 56 56 VAL CA C 56 60.780 60.780 63.045 -2.265 18018 2368 1 5 . 1 1 56 56 VAL CB C 56 33.490 33.490 29.877 3.613 18018 2369 1 5 . 1 1 56 56 VAL H H 56 7.409 7.409 7.456 -0.047 18018 2370 1 5 . 1 1 57 57 THR N N 57 115.599 115.599 117.330 -1.731 18018 2371 1 5 . 1 1 57 57 THR HA H 57 4.532 4.532 4.356 0.176 18018 2372 1 5 . 1 1 57 57 THR CA C 57 60.614 60.614 63.040 -2.426 18018 2373 1 5 . 1 1 57 57 THR CB C 57 68.892 68.892 69.450 -0.558 18018 2374 1 5 . 1 1 57 57 THR H H 57 7.916 7.916 8.552 -0.636 18018 2375 1 5 . 1 1 58 58 SER N N 58 120.007 120.007 118.548 1.459 18018 2376 1 5 . 1 1 58 58 SER HA H 58 4.547 4.547 4.084 0.463 18018 2377 1 5 . 1 1 58 58 SER CA C 58 57.770 57.770 60.905 -3.135 18018 2378 1 5 . 1 1 58 58 SER CB C 58 63.162 63.162 63.642 -0.481 18018 2379 1 5 . 1 1 58 58 SER H H 58 8.580 8.580 7.812 0.768 18018 2380 1 5 . 1 1 59 59 ASP N N 59 122.731 122.731 119.209 3.522 18018 2381 1 5 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.279 0.411 18018 2382 1 5 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.822 -1.366 18018 2383 1 5 . 1 1 59 59 ASP CB C 59 40.748 40.748 39.928 0.820 18018 2384 1 5 . 1 1 59 59 ASP H H 59 8.399 8.399 8.535 -0.136 18018 2385 1 5 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.233 -0.065 18018 2386 1 5 . 1 1 60 60 PHE CA C 60 60.054 60.054 60.617 -0.563 18018 2387 1 5 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.489 -3.676 18018 2388 1 5 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.250 0.346 18018 2389 1 5 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.257 -0.309 18018 2390 1 5 . 1 1 63 63 PRO CB C 63 31.527 31.527 30.773 0.754 18018 2391 1 5 . 1 1 64 64 GLY N N 64 110.688 110.688 113.881 -3.193 18018 2392 1 5 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.526 -0.856 18018 2393 1 5 . 1 1 64 64 GLY H H 64 8.725 8.725 8.271 0.454 18018 2394 1 5 . 1 1 65 65 ASP N N 65 122.028 122.028 121.978 0.050 18018 2395 1 5 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.364 0.299 18018 2396 1 5 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.183 1.582 18018 2397 1 5 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.569 -0.107 18018 2398 1 5 . 1 1 65 65 ASP H H 65 8.649 8.649 8.270 0.379 18018 2399 1 5 . 1 1 67 67 ASP N N 67 120.095 120.095 117.882 2.213 18018 2400 1 5 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.525 0.056 18018 2401 1 5 . 1 1 67 67 ASP CA C 67 56.553 56.553 55.891 0.662 18018 2402 1 5 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.421 -0.550 18018 2403 1 5 . 1 1 67 67 ASP H H 67 8.181 8.181 8.497 -0.316 18018 2404 1 5 . 1 1 68 68 VAL N N 68 123.206 123.206 119.392 3.814 18018 2405 1 5 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.736 0.081 18018 2406 1 5 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.105 0.610 18018 2407 1 5 . 1 1 68 68 VAL CB C 68 31.425 31.425 30.768 0.657 18018 2408 1 5 . 1 1 68 68 VAL H H 68 8.014 8.014 7.954 0.060 18018 2409 1 5 . 1 1 69 69 PHE N N 69 120.318 120.318 121.221 -0.903 18018 2410 1 5 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.056 0.066 18018 2411 1 5 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.100 -0.358 18018 2412 1 5 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.114 -0.873 18018 2413 1 5 . 1 1 69 69 PHE H H 69 8.501 8.501 7.499 1.002 18018 2414 1 5 . 1 1 70 70 ARG N N 70 117.820 117.820 118.199 -0.379 18018 2415 1 5 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.984 -0.272 18018 2416 1 5 . 1 1 70 70 ARG C C 70 178.813 178.813 178.458 0.355 18018 2417 1 5 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.417 -0.571 18018 2418 1 5 . 1 1 70 70 ARG CB C 70 29.782 29.782 30.105 -0.323 18018 2419 1 5 . 1 1 70 70 ARG H H 70 8.598 8.598 8.176 0.422 18018 2420 1 5 . 1 1 71 71 LYS N N 71 121.726 121.726 119.854 1.872 18018 2421 1 5 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.154 0.069 18018 2422 1 5 . 1 1 71 71 LYS C C 71 177.020 177.020 178.531 -1.511 18018 2423 1 5 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.044 -0.554 18018 2424 1 5 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.295 -0.409 18018 2425 1 5 . 1 1 71 71 LYS H H 71 7.658 7.658 7.434 0.224 18018 2426 1 5 . 1 1 72 72 LEU N N 72 119.355 119.355 121.435 -2.080 18018 2427 1 5 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.119 -0.094 18018 2428 1 5 . 1 1 72 72 LEU C C 72 177.378 177.378 179.025 -1.647 18018 2429 1 5 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.806 -0.820 18018 2430 1 5 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.838 0.008 18018 2431 1 5 . 1 1 72 72 LEU H H 72 8.173 8.173 8.072 0.101 18018 2432 1 5 . 1 1 73 73 ALA N N 73 121.169 121.169 119.851 1.318 18018 2433 1 5 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.790 -0.058 18018 2434 1 5 . 1 1 73 73 ALA C C 73 179.644 179.644 178.181 1.463 18018 2435 1 5 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.278 -0.454 18018 2436 1 5 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.223 -1.687 18018 2437 1 5 . 1 1 73 73 ALA H H 73 9.151 9.151 8.435 0.716 18018 2438 1 5 . 1 1 74 74 ALA N N 74 119.383 119.383 119.586 -0.203 18018 2439 1 5 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.127 0.236 18018 2440 1 5 . 1 1 74 74 ALA C C 74 179.752 179.752 180.100 -0.348 18018 2441 1 5 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.762 -0.238 18018 2442 1 5 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.622 -0.978 18018 2443 1 5 . 1 1 74 74 ALA H H 74 7.379 7.379 7.317 0.062 18018 2444 1 5 . 1 1 75 75 ASP N N 75 120.226 120.226 121.470 -1.244 18018 2445 1 5 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.464 0.031 18018 2446 1 5 . 1 1 75 75 ASP C C 75 177.704 177.704 177.761 -0.057 18018 2447 1 5 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.828 -0.841 18018 2448 1 5 . 1 1 75 75 ASP CB C 75 38.944 38.944 40.980 -2.036 18018 2449 1 5 . 1 1 75 75 ASP H H 75 8.474 8.474 7.617 0.857 18018 2450 1 5 . 1 1 76 76 LEU N N 76 115.468 115.468 117.091 -1.623 18018 2451 1 5 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.343 0.049 18018 2452 1 5 . 1 1 76 76 LEU C C 76 174.790 174.790 176.169 -1.379 18018 2453 1 5 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.580 0.044 18018 2454 1 5 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.701 0.498 18018 2455 1 5 . 1 1 76 76 LEU H H 76 8.599 8.599 8.094 0.505 18018 2456 1 5 . 1 1 77 77 GLU N N 77 124.833 124.833 122.141 2.692 18018 2457 1 5 . 1 1 77 77 GLU HA H 77 4.340 4.340 3.994 0.346 18018 2458 1 5 . 1 1 77 77 GLU C C 77 176.953 176.953 177.306 -0.353 18018 2459 1 5 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.883 0.429 18018 2460 1 5 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.899 -0.284 18018 2461 1 5 . 1 1 77 77 GLU H H 77 7.115 7.115 7.147 -0.032 18018 2462 1 5 . 1 1 78 78 GLY N N 78 118.193 118.193 112.668 5.525 18018 2463 1 5 . 1 1 78 78 GLY C C 78 173.075 173.075 174.718 -1.643 18018 2464 1 5 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.754 -0.649 18018 2465 1 5 . 1 1 78 78 GLY H H 78 9.371 9.371 8.429 0.942 18018 2466 1 5 . 1 1 79 79 LYS N N 79 120.237 120.237 119.832 0.405 18018 2467 1 5 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.339 0.292 18018 2468 1 5 . 1 1 79 79 LYS C C 79 175.050 175.050 175.578 -0.528 18018 2469 1 5 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.051 -0.826 18018 2470 1 5 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.535 -0.473 18018 2471 1 5 . 1 1 79 79 LYS H H 79 8.799 8.799 8.194 0.605 18018 2472 1 5 . 1 1 80 80 ALA N N 80 121.135 121.135 121.764 -0.629 18018 2473 1 5 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.615 0.249 18018 2474 1 5 . 1 1 80 80 ALA C C 80 174.051 174.051 175.261 -1.210 18018 2475 1 5 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.437 -0.566 18018 2476 1 5 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.345 -0.218 18018 2477 1 5 . 1 1 80 80 ALA H H 80 8.126 8.126 7.585 0.541 18018 2478 1 5 . 1 1 81 81 ASP N N 81 121.569 121.569 124.116 -2.547 18018 2479 1 5 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.613 0.255 18018 2480 1 5 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.463 -2.494 18018 2481 1 5 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.220 -0.934 18018 2482 1 5 . 1 1 81 81 ASP H H 81 8.283 8.283 8.321 -0.038 18018 2483 1 5 . 1 1 82 82 GLU N N 82 120.044 120.044 122.132 -2.088 18018 2484 1 5 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.066 0.100 18018 2485 1 5 . 1 1 82 82 GLU C C 82 177.350 177.350 178.588 -1.238 18018 2486 1 5 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.577 -0.359 18018 2487 1 5 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.839 -1.214 18018 2488 1 5 . 1 1 82 82 GLU H H 82 8.891 8.891 8.797 0.094 18018 2489 1 5 . 1 1 83 83 GLU N N 83 119.348 119.348 117.161 2.187 18018 2490 1 5 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.169 -0.022 18018 2491 1 5 . 1 1 83 83 GLU C C 83 178.794 178.794 177.740 1.054 18018 2492 1 5 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.698 0.384 18018 2493 1 5 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.556 -1.181 18018 2494 1 5 . 1 1 83 83 GLU H H 83 8.827 8.827 8.886 -0.059 18018 2495 1 5 . 1 1 84 84 THR N N 84 119.678 119.678 113.649 6.029 18018 2496 1 5 . 1 1 84 84 THR HA H 84 4.131 4.131 4.354 -0.223 18018 2497 1 5 . 1 1 84 84 THR C C 84 176.165 176.165 175.825 0.340 18018 2498 1 5 . 1 1 84 84 THR CA C 84 66.422 66.422 65.752 0.669 18018 2499 1 5 . 1 1 84 84 THR CB C 84 65.645 65.645 70.481 -4.836 18018 2500 1 5 . 1 1 84 84 THR H H 84 8.552 8.552 7.878 0.674 18018 2501 1 5 . 1 1 85 85 ILE N N 85 123.677 123.677 123.691 -0.014 18018 2502 1 5 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.921 -0.102 18018 2503 1 5 . 1 1 85 85 ILE C C 85 174.809 174.809 177.678 -2.869 18018 2504 1 5 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.313 -0.730 18018 2505 1 5 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.862 0.628 18018 2506 1 5 . 1 1 85 85 ILE H H 85 8.571 8.571 8.539 0.032 18018 2507 1 5 . 1 1 86 86 ARG N N 86 119.556 119.556 119.567 -0.011 18018 2508 1 5 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.157 0.014 18018 2509 1 5 . 1 1 86 86 ARG CA C 86 59.619 59.619 58.925 0.694 18018 2510 1 5 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.841 -0.983 18018 2511 1 5 . 1 1 86 86 ARG H H 86 9.093 9.093 8.241 0.852 18018 2512 1 5 . 1 1 87 87 ALA N N 87 121.431 121.431 121.865 -0.434 18018 2513 1 5 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.048 0.240 18018 2514 1 5 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.194 -1.039 18018 2515 1 5 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.114 -1.042 18018 2516 1 5 . 1 1 87 87 ALA H H 87 8.206 8.206 7.773 0.433 18018 2517 1 5 . 1 1 88 88 LYS N N 88 122.850 122.850 119.012 3.838 18018 2518 1 5 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.794 0.188 18018 2519 1 5 . 1 1 88 88 LYS CA C 88 55.873 55.873 59.509 -3.636 18018 2520 1 5 . 1 1 88 88 LYS CB C 88 29.823 29.823 32.006 -2.183 18018 2521 1 5 . 1 1 88 88 LYS H H 88 8.145 8.145 8.006 0.139 18018 2522 1 5 . 1 1 89 89 MET N N 89 118.786 118.786 118.705 0.081 18018 2523 1 5 . 1 1 89 89 MET HA H 89 3.810 3.810 4.138 -0.328 18018 2524 1 5 . 1 1 89 89 MET CA C 89 60.096 60.096 58.531 1.565 18018 2525 1 5 . 1 1 89 89 MET CB C 89 32.329 32.329 32.776 -0.447 18018 2526 1 5 . 1 1 89 89 MET H H 89 8.468 8.468 8.093 0.375 18018 2527 1 5 . 1 1 90 90 VAL N N 90 120.770 120.770 117.851 2.919 18018 2528 1 5 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.876 -0.049 18018 2529 1 5 . 1 1 90 90 VAL C C 90 178.017 178.017 177.815 0.202 18018 2530 1 5 . 1 1 90 90 VAL CA C 90 65.625 65.625 64.909 0.716 18018 2531 1 5 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.930 -0.191 18018 2532 1 5 . 1 1 90 90 VAL H H 90 7.504 7.504 7.804 -0.300 18018 2533 1 5 . 1 1 91 91 GLU N N 91 124.409 124.409 121.722 2.687 18018 2534 1 5 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.941 -0.153 18018 2535 1 5 . 1 1 91 91 GLU C C 91 177.612 177.612 178.986 -1.374 18018 2536 1 5 . 1 1 91 91 GLU CA C 91 58.414 58.414 60.001 -1.587 18018 2537 1 5 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.879 1.565 18018 2538 1 5 . 1 1 91 91 GLU H H 91 8.486 8.486 8.482 0.004 18018 2539 1 5 . 1 1 92 92 LEU N N 92 114.680 114.680 117.770 -3.090 18018 2540 1 5 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.183 0.207 18018 2541 1 5 . 1 1 92 92 LEU C C 92 177.928 177.928 179.467 -1.539 18018 2542 1 5 . 1 1 92 92 LEU CA C 92 55.634 55.634 56.792 -1.159 18018 2543 1 5 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.059 -0.718 18018 2544 1 5 . 1 1 92 92 LEU H H 92 8.823 8.823 8.163 0.660 18018 2545 1 5 . 1 1 93 93 ARG N N 93 123.603 123.603 118.593 5.010 18018 2546 1 5 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.122 -0.179 18018 2547 1 5 . 1 1 93 93 ARG C C 93 176.350 176.350 176.889 -0.539 18018 2548 1 5 . 1 1 93 93 ARG CA C 93 59.581 59.581 57.819 1.762 18018 2549 1 5 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.851 -0.948 18018 2550 1 5 . 1 1 93 93 ARG H H 93 7.690 7.690 7.475 0.215 18018 2551 1 5 . 1 1 94 94 ALA N N 94 122.480 122.480 119.493 2.987 18018 2552 1 5 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.574 -0.313 18018 2553 1 5 . 1 1 94 94 ALA C C 94 179.805 179.805 179.528 0.277 18018 2554 1 5 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.312 0.216 18018 2555 1 5 . 1 1 94 94 ALA CB C 94 16.936 16.936 19.309 -2.373 18018 2556 1 5 . 1 1 94 94 ALA H H 94 7.269 7.269 7.672 -0.403 18018 2557 1 5 . 1 1 95 95 THR N N 95 116.936 116.936 117.026 -0.090 18018 2558 1 5 . 1 1 95 95 THR HA H 95 4.045 4.045 4.063 -0.018 18018 2559 1 5 . 1 1 95 95 THR C C 95 175.007 175.007 176.132 -1.125 18018 2560 1 5 . 1 1 95 95 THR CA C 95 65.569 65.569 67.074 -1.505 18018 2561 1 5 . 1 1 95 95 THR CB C 95 68.334 68.334 68.729 -0.395 18018 2562 1 5 . 1 1 95 95 THR H H 95 8.282 8.282 8.504 -0.222 18018 2563 1 5 . 1 1 96 96 ALA N N 96 124.095 124.095 123.043 1.052 18018 2564 1 5 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.915 -0.053 18018 2565 1 5 . 1 1 96 96 ALA C C 96 178.184 178.184 179.041 -0.857 18018 2566 1 5 . 1 1 96 96 ALA CA C 96 54.749 54.749 55.191 -0.443 18018 2567 1 5 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.637 0.133 18018 2568 1 5 . 1 1 96 96 ALA H H 96 8.681 8.681 7.998 0.683 18018 2569 1 5 . 1 1 97 97 ARG N N 97 117.328 117.328 118.137 -0.809 18018 2570 1 5 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.949 -0.163 18018 2571 1 5 . 1 1 97 97 ARG C C 97 176.770 176.770 179.094 -2.324 18018 2572 1 5 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.986 -0.425 18018 2573 1 5 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.701 -0.085 18018 2574 1 5 . 1 1 97 97 ARG H H 97 8.070 8.070 8.146 -0.076 18018 2575 1 5 . 1 1 98 98 GLU N N 98 118.245 118.245 119.714 -1.469 18018 2576 1 5 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.057 0.058 18018 2577 1 5 . 1 1 98 98 GLU C C 98 178.865 178.865 179.177 -0.312 18018 2578 1 5 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.366 -0.877 18018 2579 1 5 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.158 -0.646 18018 2580 1 5 . 1 1 98 98 GLU H H 98 7.855 7.855 8.104 -0.249 18018 2581 1 5 . 1 1 99 99 GLN N N 99 119.735 119.735 118.123 1.612 18018 2582 1 5 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.025 0.146 18018 2583 1 5 . 1 1 99 99 GLN C C 99 178.146 178.146 178.274 -0.128 18018 2584 1 5 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.204 0.041 18018 2585 1 5 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.516 -1.422 18018 2586 1 5 . 1 1 99 99 GLN H H 99 8.312 8.312 8.360 -0.048 18018 2587 1 5 . 1 1 100 100 ILE N N 100 119.864 119.864 119.877 -0.013 18018 2588 1 5 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.661 0.289 18018 2589 1 5 . 1 1 100 100 ILE C C 100 178.315 178.315 178.370 -0.055 18018 2590 1 5 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.112 -2.508 18018 2591 1 5 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.943 -1.447 18018 2592 1 5 . 1 1 100 100 ILE H H 100 8.445 8.445 7.448 0.997 18018 2593 1 5 . 1 1 101 101 ILE N N 101 120.514 120.514 118.632 1.882 18018 2594 1 5 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.688 0.324 18018 2595 1 5 . 1 1 101 101 ILE C C 101 177.006 177.006 177.677 -0.671 18018 2596 1 5 . 1 1 101 101 ILE CA C 101 62.977 62.977 64.065 -1.088 18018 2597 1 5 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.517 -0.855 18018 2598 1 5 . 1 1 101 101 ILE H H 101 8.329 8.329 7.801 0.528 18018 2599 1 5 . 1 1 102 102 SER N N 102 116.172 116.172 114.809 1.363 18018 2600 1 5 . 1 1 102 102 SER HA H 102 4.562 4.562 4.238 0.324 18018 2601 1 5 . 1 1 102 102 SER C C 102 173.845 173.845 175.495 -1.650 18018 2602 1 5 . 1 1 102 102 SER CA C 102 59.502 59.502 60.452 -0.950 18018 2603 1 5 . 1 1 102 102 SER CB C 102 63.012 63.012 63.375 -0.363 18018 2604 1 5 . 1 1 102 102 SER H H 102 7.882 7.882 7.801 0.081 18018 2605 1 5 . 1 1 103 103 GLU N N 103 122.642 122.642 119.841 2.801 18018 2606 1 5 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.387 0.053 18018 2607 1 5 . 1 1 103 103 GLU C C 103 175.095 175.095 176.870 -1.775 18018 2608 1 5 . 1 1 103 103 GLU CA C 103 55.628 55.628 55.788 -0.160 18018 2609 1 5 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.999 -1.186 18018 2610 1 5 . 1 1 103 103 GLU H H 103 7.735 7.735 7.635 0.100 18018 2611 1 6 . 1 1 4 4 PHE N N 4 122.548 122.548 123.248 -0.700 18018 2612 1 6 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.762 -0.079 18018 2613 1 6 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.175 -0.568 18018 2614 1 6 . 1 1 4 4 PHE CB C 4 38.895 38.895 42.166 -3.271 18018 2615 1 6 . 1 1 4 4 PHE H H 4 8.328 8.328 7.798 0.530 18018 2616 1 6 . 1 1 7 7 ARG N N 7 121.962 121.962 118.893 3.069 18018 2617 1 6 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.071 0.185 18018 2618 1 6 . 1 1 7 7 ARG C C 7 176.683 176.683 175.736 0.947 18018 2619 1 6 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.239 -0.152 18018 2620 1 6 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.055 0.307 18018 2621 1 6 . 1 1 7 7 ARG H H 7 8.321 8.321 8.575 -0.254 18018 2622 1 6 . 1 1 8 8 GLU N N 8 121.095 121.095 118.808 2.287 18018 2623 1 6 . 1 1 8 8 GLU HA H 8 4.251 4.251 3.979 0.272 18018 2624 1 6 . 1 1 8 8 GLU C C 8 176.964 176.964 177.463 -0.499 18018 2625 1 6 . 1 1 8 8 GLU CA C 8 56.933 56.933 59.168 -2.235 18018 2626 1 6 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.553 -0.698 18018 2627 1 6 . 1 1 8 8 GLU H H 8 8.388 8.388 8.485 -0.097 18018 2628 1 6 . 1 1 9 9 ARG N N 9 121.310 121.310 115.414 5.896 18018 2629 1 6 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.361 -0.021 18018 2630 1 6 . 1 1 9 9 ARG C C 9 176.563 176.563 174.529 2.034 18018 2631 1 6 . 1 1 9 9 ARG CA C 9 56.413 56.413 56.043 0.370 18018 2632 1 6 . 1 1 9 9 ARG CB C 9 29.669 29.669 31.430 -1.762 18018 2633 1 6 . 1 1 9 9 ARG H H 9 8.268 8.268 8.273 -0.005 18018 2634 1 6 . 1 1 10 10 ALA N N 10 124.224 124.224 120.489 3.735 18018 2635 1 6 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.242 0.076 18018 2636 1 6 . 1 1 10 10 ALA C C 10 178.129 178.129 176.192 1.937 18018 2637 1 6 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.356 0.591 18018 2638 1 6 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.949 -2.193 18018 2639 1 6 . 1 1 10 10 ALA H H 10 8.222 8.222 7.711 0.511 18018 2640 1 6 . 1 1 11 11 HIS N N 11 118.081 118.081 117.212 0.869 18018 2641 1 6 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.925 -0.226 18018 2642 1 6 . 1 1 11 11 HIS C C 11 175.013 175.013 175.975 -0.962 18018 2643 1 6 . 1 1 11 11 HIS CA C 11 56.255 56.255 55.127 1.128 18018 2644 1 6 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.285 -2.518 18018 2645 1 6 . 1 1 11 11 HIS H H 11 8.486 8.486 8.058 0.428 18018 2646 1 6 . 1 1 12 12 GLU N N 12 121.492 121.492 119.686 1.806 18018 2647 1 6 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.044 0.234 18018 2648 1 6 . 1 1 12 12 GLU C C 12 176.808 176.808 175.397 1.411 18018 2649 1 6 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.543 -0.922 18018 2650 1 6 . 1 1 12 12 GLU CB C 12 28.853 28.853 28.841 0.012 18018 2651 1 6 . 1 1 12 12 GLU H H 12 8.370 8.370 9.250 -0.880 18018 2652 1 6 . 1 1 13 13 ALA N N 13 123.583 123.583 118.422 5.161 18018 2653 1 6 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.495 -0.191 18018 2654 1 6 . 1 1 13 13 ALA C C 13 178.197 178.197 178.282 -0.085 18018 2655 1 6 . 1 1 13 13 ALA CA C 13 54.051 54.051 52.829 1.222 18018 2656 1 6 . 1 1 13 13 ALA CB C 13 17.788 17.788 20.043 -2.255 18018 2657 1 6 . 1 1 13 13 ALA H H 13 8.426 8.426 8.096 0.330 18018 2658 1 6 . 1 1 14 14 LYS N N 14 119.772 119.772 119.886 -0.114 18018 2659 1 6 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.936 0.282 18018 2660 1 6 . 1 1 14 14 LYS C C 14 176.757 176.757 178.230 -1.473 18018 2661 1 6 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.207 -2.097 18018 2662 1 6 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.899 -0.156 18018 2663 1 6 . 1 1 14 14 LYS H H 14 8.073 8.073 8.210 -0.137 18018 2664 1 6 . 1 1 15 15 PHE N N 15 118.073 118.073 116.821 1.252 18018 2665 1 6 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.450 -0.006 18018 2666 1 6 . 1 1 15 15 PHE C C 15 175.635 175.635 178.184 -2.549 18018 2667 1 6 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.650 -1.649 18018 2668 1 6 . 1 1 15 15 PHE CB C 15 38.491 38.491 37.914 0.577 18018 2669 1 6 . 1 1 15 15 PHE H H 15 7.926 7.926 8.143 -0.217 18018 2670 1 6 . 1 1 16 16 ALA N N 16 122.453 122.453 120.831 1.622 18018 2671 1 6 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.098 0.208 18018 2672 1 6 . 1 1 16 16 ALA C C 16 177.641 177.641 178.253 -0.612 18018 2673 1 6 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.219 -1.167 18018 2674 1 6 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.009 0.011 18018 2675 1 6 . 1 1 16 16 ALA H H 16 8.137 8.137 8.545 -0.408 18018 2676 1 6 . 1 1 17 17 HIS N N 17 115.587 115.587 116.584 -0.997 18018 2677 1 6 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.588 0.237 18018 2678 1 6 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.562 -1.467 18018 2679 1 6 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.023 -0.065 18018 2680 1 6 . 1 1 17 17 HIS H H 17 8.051 8.051 7.937 0.114 18018 2681 1 6 . 1 1 18 18 ASP N N 18 121.432 121.432 118.247 3.185 18018 2682 1 6 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.299 0.491 18018 2683 1 6 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.862 -2.280 18018 2684 1 6 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.057 0.730 18018 2685 1 6 . 1 1 18 18 ASP H H 18 7.913 7.913 7.921 -0.008 18018 2686 1 6 . 1 1 19 19 ALA N N 19 126.983 126.983 121.750 5.233 18018 2687 1 6 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.938 0.358 18018 2688 1 6 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.611 -0.564 18018 2689 1 6 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.290 0.569 18018 2690 1 6 . 1 1 19 19 ALA H H 19 8.599 8.599 8.615 -0.016 18018 2691 1 6 . 1 1 20 20 GLU N N 20 119.997 119.997 120.828 -0.831 18018 2692 1 6 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.244 0.085 18018 2693 1 6 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.897 -0.519 18018 2694 1 6 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.686 -0.809 18018 2695 1 6 . 1 1 20 20 GLU H H 20 8.377 8.377 8.117 0.260 18018 2696 1 6 . 1 1 21 21 LEU N N 21 122.484 122.484 119.205 3.279 18018 2697 1 6 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.510 -0.347 18018 2698 1 6 . 1 1 21 21 LEU CA C 21 57.125 57.125 56.965 0.160 18018 2699 1 6 . 1 1 21 21 LEU CB C 21 41.030 41.030 42.194 -1.164 18018 2700 1 6 . 1 1 21 21 LEU H H 21 8.117 8.117 7.621 0.496 18018 2701 1 6 . 1 1 22 22 ASN N N 22 117.879 117.879 119.096 -1.217 18018 2702 1 6 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.434 0.258 18018 2703 1 6 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.505 -0.167 18018 2704 1 6 . 1 1 22 22 ASN CB C 22 40.138 40.138 38.099 2.039 18018 2705 1 6 . 1 1 22 22 ASN H H 22 8.507 8.507 7.756 0.751 18018 2706 1 6 . 1 1 23 23 PHE N N 23 121.096 121.096 120.029 1.067 18018 2707 1 6 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.130 0.333 18018 2708 1 6 . 1 1 23 23 PHE CA C 23 60.239 60.239 62.658 -2.419 18018 2709 1 6 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.946 -0.914 18018 2710 1 6 . 1 1 23 23 PHE H H 23 8.465 8.465 7.685 0.780 18018 2711 1 6 . 1 1 24 24 LYS N N 24 120.580 120.580 118.614 1.966 18018 2712 1 6 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.045 0.126 18018 2713 1 6 . 1 1 24 24 LYS C C 24 179.309 179.309 179.062 0.247 18018 2714 1 6 . 1 1 24 24 LYS CA C 24 59.041 59.041 60.066 -1.026 18018 2715 1 6 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.317 0.070 18018 2716 1 6 . 1 1 24 24 LYS H H 24 8.427 8.427 7.875 0.552 18018 2717 1 6 . 1 1 25 25 ALA N N 25 123.682 123.682 121.872 1.810 18018 2718 1 6 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.355 -0.234 18018 2719 1 6 . 1 1 25 25 ALA C C 25 178.243 178.243 179.923 -1.680 18018 2720 1 6 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.706 -0.241 18018 2721 1 6 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.393 -0.694 18018 2722 1 6 . 1 1 25 25 ALA H H 25 8.768 8.768 8.434 0.334 18018 2723 1 6 . 1 1 26 26 GLU N N 26 122.051 122.051 119.384 2.667 18018 2724 1 6 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.965 0.056 18018 2725 1 6 . 1 1 26 26 GLU C C 26 177.265 177.265 178.694 -1.429 18018 2726 1 6 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.424 -0.963 18018 2727 1 6 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.665 -0.903 18018 2728 1 6 . 1 1 26 26 GLU H H 26 8.532 8.532 8.057 0.475 18018 2729 1 6 . 1 1 27 27 ALA N N 27 122.124 122.124 121.987 0.137 18018 2730 1 6 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.446 -0.121 18018 2731 1 6 . 1 1 27 27 ALA C C 27 180.552 180.552 180.135 0.417 18018 2732 1 6 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.679 -0.510 18018 2733 1 6 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.769 -1.660 18018 2734 1 6 . 1 1 27 27 ALA H H 27 8.048 8.048 7.871 0.177 18018 2735 1 6 . 1 1 28 28 ARG N N 28 120.501 120.501 119.451 1.050 18018 2736 1 6 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.077 0.335 18018 2737 1 6 . 1 1 28 28 ARG C C 28 176.309 176.309 178.453 -2.144 18018 2738 1 6 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.483 -2.514 18018 2739 1 6 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.056 -3.141 18018 2740 1 6 . 1 1 28 28 ARG H H 28 8.046 8.046 8.269 -0.223 18018 2741 1 6 . 1 1 29 29 ARG N N 29 122.842 122.842 118.199 4.643 18018 2742 1 6 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.988 -0.290 18018 2743 1 6 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.343 0.073 18018 2744 1 6 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.040 -0.892 18018 2745 1 6 . 1 1 29 29 ARG H H 29 8.908 8.908 8.036 0.872 18018 2746 1 6 . 1 1 30 30 ASN N N 30 120.150 120.150 119.012 1.138 18018 2747 1 6 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.485 0.149 18018 2748 1 6 . 1 1 30 30 ASN C C 30 175.888 175.888 177.626 -1.738 18018 2749 1 6 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.087 -0.680 18018 2750 1 6 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.711 -1.776 18018 2751 1 6 . 1 1 30 30 ASN H H 30 8.402 8.402 8.116 0.286 18018 2752 1 6 . 1 1 31 31 ARG N N 31 123.400 123.400 120.998 2.402 18018 2753 1 6 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.317 -0.035 18018 2754 1 6 . 1 1 31 31 ARG C C 31 177.804 177.804 178.641 -0.837 18018 2755 1 6 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.980 -0.030 18018 2756 1 6 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.014 -0.893 18018 2757 1 6 . 1 1 31 31 ARG H H 31 7.996 7.996 7.363 0.633 18018 2758 1 6 . 1 1 32 32 LEU N N 32 119.872 119.872 119.562 0.310 18018 2759 1 6 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.077 0.214 18018 2760 1 6 . 1 1 32 32 LEU C C 32 180.602 180.602 179.603 0.999 18018 2761 1 6 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.722 -0.476 18018 2762 1 6 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.688 -0.518 18018 2763 1 6 . 1 1 32 32 LEU H H 32 8.742 8.742 7.787 0.955 18018 2764 1 6 . 1 1 33 33 LEU N N 33 124.468 124.468 119.012 5.456 18018 2765 1 6 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.155 0.146 18018 2766 1 6 . 1 1 33 33 LEU C C 33 177.992 177.992 178.832 -0.840 18018 2767 1 6 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.355 -0.340 18018 2768 1 6 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.461 0.778 18018 2769 1 6 . 1 1 33 33 LEU H H 33 9.249 9.249 8.502 0.747 18018 2770 1 6 . 1 1 34 34 GLY N N 34 109.045 109.045 107.275 1.770 18018 2771 1 6 . 1 1 34 34 GLY C C 34 174.530 174.530 175.819 -1.289 18018 2772 1 6 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.730 -0.283 18018 2773 1 6 . 1 1 34 34 GLY H H 34 8.873 8.873 8.360 0.513 18018 2774 1 6 . 1 1 35 35 GLU N N 35 123.414 123.414 122.584 0.830 18018 2775 1 6 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.219 -0.042 18018 2776 1 6 . 1 1 35 35 GLU C C 35 178.866 178.866 178.498 0.368 18018 2777 1 6 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.321 0.710 18018 2778 1 6 . 1 1 35 35 GLU CB C 35 28.963 28.963 28.927 0.036 18018 2779 1 6 . 1 1 35 35 GLU H H 35 8.920 8.920 7.979 0.941 18018 2780 1 6 . 1 1 36 36 TRP N N 36 124.774 124.774 122.872 1.902 18018 2781 1 6 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.240 0.343 18018 2782 1 6 . 1 1 36 36 TRP C C 36 177.618 177.618 178.123 -0.505 18018 2783 1 6 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.819 -1.201 18018 2784 1 6 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.503 -2.909 18018 2785 1 6 . 1 1 36 36 TRP H H 36 8.510 8.510 7.546 0.964 18018 2786 1 6 . 1 1 37 37 ALA N N 37 123.777 123.777 120.973 2.804 18018 2787 1 6 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.138 0.239 18018 2788 1 6 . 1 1 37 37 ALA C C 37 177.427 177.427 178.959 -1.532 18018 2789 1 6 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.568 -0.719 18018 2790 1 6 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.747 1.298 18018 2791 1 6 . 1 1 37 37 ALA H H 37 9.122 9.122 8.532 0.590 18018 2792 1 6 . 1 1 38 38 ALA N N 38 119.259 119.259 120.616 -1.357 18018 2793 1 6 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.397 0.097 18018 2794 1 6 . 1 1 38 38 ALA C C 38 178.670 178.670 179.097 -0.427 18018 2795 1 6 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.948 -0.505 18018 2796 1 6 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.281 -0.592 18018 2797 1 6 . 1 1 38 38 ALA H H 38 8.772 8.772 8.470 0.302 18018 2798 1 6 . 1 1 39 39 GLY N N 39 104.027 104.027 103.401 0.626 18018 2799 1 6 . 1 1 39 39 GLY C C 39 177.232 177.232 175.535 1.697 18018 2800 1 6 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.737 0.685 18018 2801 1 6 . 1 1 39 39 GLY H H 39 7.733 7.733 7.837 -0.104 18018 2802 1 6 . 1 1 40 40 LEU N N 40 125.448 125.448 120.503 4.945 18018 2803 1 6 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.158 -0.073 18018 2804 1 6 . 1 1 40 40 LEU C C 40 178.203 178.203 177.456 0.747 18018 2805 1 6 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.961 0.757 18018 2806 1 6 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.157 -0.818 18018 2807 1 6 . 1 1 40 40 LEU H H 40 7.492 7.492 7.431 0.061 18018 2808 1 6 . 1 1 41 41 LEU N N 41 117.234 117.234 119.167 -1.933 18018 2809 1 6 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.029 0.078 18018 2810 1 6 . 1 1 41 41 LEU C C 41 176.119 176.119 178.210 -2.091 18018 2811 1 6 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.337 -2.454 18018 2812 1 6 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.676 -0.023 18018 2813 1 6 . 1 1 41 41 LEU H H 41 7.676 7.676 7.787 -0.111 18018 2814 1 6 . 1 1 42 42 GLY N N 42 109.595 109.595 104.758 4.837 18018 2815 1 6 . 1 1 42 42 GLY C C 42 173.775 173.775 174.628 -0.853 18018 2816 1 6 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.696 0.552 18018 2817 1 6 . 1 1 42 42 GLY H H 42 7.869 7.869 7.726 0.143 18018 2818 1 6 . 1 1 43 43 LYS N N 43 119.965 119.965 120.723 -0.758 18018 2819 1 6 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.338 0.374 18018 2820 1 6 . 1 1 43 43 LYS C C 43 175.246 175.246 176.217 -0.971 18018 2821 1 6 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.503 -0.733 18018 2822 1 6 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.129 0.642 18018 2823 1 6 . 1 1 43 43 LYS H H 43 8.079 8.079 8.080 -0.001 18018 2824 1 6 . 1 1 44 44 THR N N 44 114.199 114.199 108.201 5.998 18018 2825 1 6 . 1 1 44 44 THR HA H 44 4.749 4.749 4.401 0.348 18018 2826 1 6 . 1 1 44 44 THR C C 44 174.392 174.392 174.247 0.145 18018 2827 1 6 . 1 1 44 44 THR CA C 44 58.992 58.992 60.590 -1.598 18018 2828 1 6 . 1 1 44 44 THR CB C 44 71.762 71.762 72.146 -0.384 18018 2829 1 6 . 1 1 44 44 THR H H 44 8.934 8.934 7.961 0.973 18018 2830 1 6 . 1 1 45 45 GLY N N 45 109.657 109.657 112.360 -2.703 18018 2831 1 6 . 1 1 45 45 GLY C C 45 175.330 175.330 175.269 0.061 18018 2832 1 6 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.719 -0.574 18018 2833 1 6 . 1 1 45 45 GLY H H 45 8.862 8.862 8.475 0.387 18018 2834 1 6 . 1 1 46 46 ASP N N 46 128.403 128.403 124.282 4.121 18018 2835 1 6 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.789 -0.256 18018 2836 1 6 . 1 1 46 46 ASP C C 46 177.343 177.343 177.701 -0.358 18018 2837 1 6 . 1 1 46 46 ASP CA C 46 56.485 56.485 55.575 0.910 18018 2838 1 6 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.192 -1.314 18018 2839 1 6 . 1 1 46 46 ASP H H 46 9.283 9.283 8.432 0.851 18018 2840 1 6 . 1 1 47 47 ASP N N 47 121.367 121.367 120.373 0.994 18018 2841 1 6 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.505 0.131 18018 2842 1 6 . 1 1 47 47 ASP CA C 47 56.140 56.140 56.984 -0.844 18018 2843 1 6 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.536 -0.560 18018 2844 1 6 . 1 1 47 47 ASP H H 47 8.488 8.488 8.254 0.234 18018 2845 1 6 . 1 1 48 48 ALA N N 48 123.210 123.210 121.881 1.329 18018 2846 1 6 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.121 -0.204 18018 2847 1 6 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.003 -0.956 18018 2848 1 6 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.808 -2.166 18018 2849 1 6 . 1 1 48 48 ALA H H 48 7.235 7.235 7.555 -0.320 18018 2850 1 6 . 1 1 49 49 ARG N N 49 120.088 120.088 119.780 0.308 18018 2851 1 6 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.033 0.075 18018 2852 1 6 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.094 -0.394 18018 2853 1 6 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.201 -0.636 18018 2854 1 6 . 1 1 49 49 ARG H H 49 7.777 7.777 7.869 -0.092 18018 2855 1 6 . 1 1 50 50 ALA N N 50 120.988 120.988 121.574 -0.586 18018 2856 1 6 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.036 0.155 18018 2857 1 6 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.980 -0.897 18018 2858 1 6 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.160 -0.881 18018 2859 1 6 . 1 1 50 50 ALA H H 50 8.350 8.350 8.441 -0.091 18018 2860 1 6 . 1 1 51 51 TYR N N 51 119.264 119.264 119.529 -0.265 18018 2861 1 6 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.042 0.159 18018 2862 1 6 . 1 1 51 51 TYR C C 51 178.335 178.335 177.273 1.062 18018 2863 1 6 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.567 -0.480 18018 2864 1 6 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.405 -0.565 18018 2865 1 6 . 1 1 51 51 TYR H H 51 8.054 8.054 7.799 0.255 18018 2866 1 6 . 1 1 52 52 ALA N N 52 124.002 124.002 118.589 5.413 18018 2867 1 6 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.138 -0.271 18018 2868 1 6 . 1 1 52 52 ALA C C 52 178.352 178.352 177.714 0.638 18018 2869 1 6 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.159 0.911 18018 2870 1 6 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.838 -2.003 18018 2871 1 6 . 1 1 52 52 ALA H H 52 8.611 8.611 7.899 0.712 18018 2872 1 6 . 1 1 53 53 LEU N N 53 116.323 116.323 114.730 1.593 18018 2873 1 6 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.433 -0.149 18018 2874 1 6 . 1 1 53 53 LEU C C 53 177.452 177.452 178.477 -1.025 18018 2875 1 6 . 1 1 53 53 LEU CA C 53 55.862 55.862 55.130 0.732 18018 2876 1 6 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.484 -1.209 18018 2877 1 6 . 1 1 53 53 LEU H H 53 7.591 7.591 7.572 0.019 18018 2878 1 6 . 1 1 54 54 THR N N 54 110.782 110.782 115.811 -5.029 18018 2879 1 6 . 1 1 54 54 THR HA H 54 4.392 4.392 4.153 0.239 18018 2880 1 6 . 1 1 54 54 THR CA C 54 62.390 62.390 65.256 -2.866 18018 2881 1 6 . 1 1 54 54 THR H H 54 7.947 7.947 7.565 0.382 18018 2882 1 6 . 1 1 55 55 VAL N N 55 123.763 123.763 122.827 0.936 18018 2883 1 6 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.207 -0.325 18018 2884 1 6 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.326 0.418 18018 2885 1 6 . 1 1 55 55 VAL CB C 55 29.871 29.871 30.776 -0.905 18018 2886 1 6 . 1 1 55 55 VAL H H 55 7.171 7.171 8.203 -1.032 18018 2887 1 6 . 1 1 56 56 VAL N N 56 118.917 118.917 119.188 -0.271 18018 2888 1 6 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.283 0.107 18018 2889 1 6 . 1 1 56 56 VAL CA C 56 60.780 60.780 60.284 0.496 18018 2890 1 6 . 1 1 56 56 VAL CB C 56 33.490 33.490 35.075 -1.585 18018 2891 1 6 . 1 1 56 56 VAL H H 56 7.409 7.409 7.396 0.013 18018 2892 1 6 . 1 1 57 57 THR N N 57 115.599 115.599 119.370 -3.771 18018 2893 1 6 . 1 1 57 57 THR HA H 57 4.532 4.532 4.525 0.007 18018 2894 1 6 . 1 1 57 57 THR CA C 57 60.614 60.614 61.574 -0.960 18018 2895 1 6 . 1 1 57 57 THR CB C 57 68.892 68.892 68.963 -0.071 18018 2896 1 6 . 1 1 57 57 THR H H 57 7.916 7.916 8.290 -0.374 18018 2897 1 6 . 1 1 58 58 SER N N 58 120.007 120.007 113.119 6.888 18018 2898 1 6 . 1 1 58 58 SER HA H 58 4.547 4.547 4.019 0.528 18018 2899 1 6 . 1 1 58 58 SER CA C 58 57.770 57.770 60.086 -2.316 18018 2900 1 6 . 1 1 58 58 SER CB C 58 63.162 63.162 61.624 1.538 18018 2901 1 6 . 1 1 58 58 SER H H 58 8.580 8.580 8.417 0.163 18018 2902 1 6 . 1 1 59 59 ASP N N 59 122.731 122.731 121.457 1.274 18018 2903 1 6 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.648 0.042 18018 2904 1 6 . 1 1 59 59 ASP CA C 59 53.456 53.456 52.509 0.947 18018 2905 1 6 . 1 1 59 59 ASP CB C 59 40.748 40.748 42.442 -1.694 18018 2906 1 6 . 1 1 59 59 ASP H H 59 8.399 8.399 7.758 0.641 18018 2907 1 6 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.410 -0.242 18018 2908 1 6 . 1 1 60 60 PHE CA C 60 60.054 60.054 57.973 2.081 18018 2909 1 6 . 1 1 60 60 PHE CB C 60 35.813 35.813 38.494 -2.681 18018 2910 1 6 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.385 0.211 18018 2911 1 6 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.577 0.372 18018 2912 1 6 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.643 -1.116 18018 2913 1 6 . 1 1 64 64 GLY N N 64 110.688 110.688 107.460 3.228 18018 2914 1 6 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.340 -0.670 18018 2915 1 6 . 1 1 64 64 GLY H H 64 8.725 8.725 8.679 0.046 18018 2916 1 6 . 1 1 65 65 ASP N N 65 122.028 122.028 122.541 -0.513 18018 2917 1 6 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.365 0.298 18018 2918 1 6 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.976 -0.211 18018 2919 1 6 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.670 -1.208 18018 2920 1 6 . 1 1 65 65 ASP H H 65 8.649 8.649 8.243 0.406 18018 2921 1 6 . 1 1 67 67 ASP N N 67 120.095 120.095 122.554 -2.459 18018 2922 1 6 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.566 0.015 18018 2923 1 6 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.630 -0.077 18018 2924 1 6 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.997 -1.126 18018 2925 1 6 . 1 1 67 67 ASP H H 67 8.181 8.181 8.618 -0.437 18018 2926 1 6 . 1 1 68 68 VAL N N 68 123.206 123.206 121.050 2.156 18018 2927 1 6 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.750 0.067 18018 2928 1 6 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.039 0.676 18018 2929 1 6 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.316 0.109 18018 2930 1 6 . 1 1 68 68 VAL H H 68 8.014 8.014 7.911 0.103 18018 2931 1 6 . 1 1 69 69 PHE N N 69 120.318 120.318 121.102 -0.784 18018 2932 1 6 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.042 0.080 18018 2933 1 6 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.615 -0.873 18018 2934 1 6 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.972 -0.731 18018 2935 1 6 . 1 1 69 69 PHE H H 69 8.501 8.501 8.640 -0.139 18018 2936 1 6 . 1 1 70 70 ARG N N 70 117.820 117.820 119.223 -1.403 18018 2937 1 6 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.815 -0.103 18018 2938 1 6 . 1 1 70 70 ARG C C 70 178.813 178.813 178.461 0.352 18018 2939 1 6 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.377 -0.531 18018 2940 1 6 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.974 -0.192 18018 2941 1 6 . 1 1 70 70 ARG H H 70 8.598 8.598 8.711 -0.113 18018 2942 1 6 . 1 1 71 71 LYS N N 71 121.726 121.726 119.976 1.750 18018 2943 1 6 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.096 0.128 18018 2944 1 6 . 1 1 71 71 LYS C C 71 177.020 177.020 178.993 -1.973 18018 2945 1 6 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.392 -0.902 18018 2946 1 6 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.458 -0.572 18018 2947 1 6 . 1 1 71 71 LYS H H 71 7.658 7.658 7.766 -0.108 18018 2948 1 6 . 1 1 72 72 LEU N N 72 119.355 119.355 119.149 0.206 18018 2949 1 6 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.191 -0.166 18018 2950 1 6 . 1 1 72 72 LEU C C 72 177.378 177.378 179.291 -1.913 18018 2951 1 6 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.657 -0.671 18018 2952 1 6 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.344 0.502 18018 2953 1 6 . 1 1 72 72 LEU H H 72 8.173 8.173 8.141 0.032 18018 2954 1 6 . 1 1 73 73 ALA N N 73 121.169 121.169 121.110 0.059 18018 2955 1 6 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.843 -0.111 18018 2956 1 6 . 1 1 73 73 ALA C C 73 179.644 179.644 178.505 1.139 18018 2957 1 6 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.583 -0.759 18018 2958 1 6 . 1 1 73 73 ALA CB C 73 16.536 16.536 17.983 -1.448 18018 2959 1 6 . 1 1 73 73 ALA H H 73 9.151 9.151 8.416 0.735 18018 2960 1 6 . 1 1 74 74 ALA N N 74 119.383 119.383 120.728 -1.345 18018 2961 1 6 . 1 1 74 74 ALA HA H 74 4.363 4.363 3.936 0.427 18018 2962 1 6 . 1 1 74 74 ALA C C 74 179.752 179.752 180.108 -0.356 18018 2963 1 6 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.766 -1.242 18018 2964 1 6 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.162 -0.518 18018 2965 1 6 . 1 1 74 74 ALA H H 74 7.379 7.379 7.418 -0.039 18018 2966 1 6 . 1 1 75 75 ASP N N 75 120.226 120.226 118.559 1.667 18018 2967 1 6 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.478 0.017 18018 2968 1 6 . 1 1 75 75 ASP C C 75 177.704 177.704 177.175 0.529 18018 2969 1 6 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.871 -0.884 18018 2970 1 6 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.120 -2.176 18018 2971 1 6 . 1 1 75 75 ASP H H 75 8.474 8.474 7.777 0.697 18018 2972 1 6 . 1 1 76 76 LEU N N 76 115.468 115.468 116.586 -1.118 18018 2973 1 6 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.498 -0.106 18018 2974 1 6 . 1 1 76 76 LEU C C 76 174.790 174.790 175.452 -0.662 18018 2975 1 6 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.030 -0.406 18018 2976 1 6 . 1 1 76 76 LEU CB C 76 40.199 40.199 41.967 -1.768 18018 2977 1 6 . 1 1 76 76 LEU H H 76 8.599 8.599 7.334 1.265 18018 2978 1 6 . 1 1 77 77 GLU N N 77 124.833 124.833 122.511 2.322 18018 2979 1 6 . 1 1 77 77 GLU HA H 77 4.340 4.340 3.989 0.351 18018 2980 1 6 . 1 1 77 77 GLU C C 77 176.953 176.953 177.195 -0.242 18018 2981 1 6 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.189 0.122 18018 2982 1 6 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.401 -0.786 18018 2983 1 6 . 1 1 77 77 GLU H H 77 7.115 7.115 7.388 -0.273 18018 2984 1 6 . 1 1 78 78 GLY N N 78 118.193 118.193 113.451 4.742 18018 2985 1 6 . 1 1 78 78 GLY C C 78 173.075 173.075 174.682 -1.607 18018 2986 1 6 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.753 -0.648 18018 2987 1 6 . 1 1 78 78 GLY H H 78 9.371 9.371 8.697 0.674 18018 2988 1 6 . 1 1 79 79 LYS N N 79 120.237 120.237 119.221 1.016 18018 2989 1 6 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.465 0.166 18018 2990 1 6 . 1 1 79 79 LYS C C 79 175.050 175.050 175.172 -0.122 18018 2991 1 6 . 1 1 79 79 LYS CA C 79 55.225 55.225 55.893 -0.668 18018 2992 1 6 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.695 -0.633 18018 2993 1 6 . 1 1 79 79 LYS H H 79 8.799 8.799 8.305 0.494 18018 2994 1 6 . 1 1 80 80 ALA N N 80 121.135 121.135 121.422 -0.287 18018 2995 1 6 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.588 0.276 18018 2996 1 6 . 1 1 80 80 ALA C C 80 174.051 174.051 175.412 -1.361 18018 2997 1 6 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.796 -0.925 18018 2998 1 6 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.004 0.123 18018 2999 1 6 . 1 1 80 80 ALA H H 80 8.126 8.126 7.840 0.286 18018 3000 1 6 . 1 1 81 81 ASP N N 81 121.569 121.569 124.727 -3.158 18018 3001 1 6 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.817 0.051 18018 3002 1 6 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.516 -2.547 18018 3003 1 6 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.219 -0.934 18018 3004 1 6 . 1 1 81 81 ASP H H 81 8.283 8.283 8.726 -0.443 18018 3005 1 6 . 1 1 82 82 GLU N N 82 120.044 120.044 121.506 -1.462 18018 3006 1 6 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.255 -0.089 18018 3007 1 6 . 1 1 82 82 GLU C C 82 177.350 177.350 178.542 -1.192 18018 3008 1 6 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.711 -0.493 18018 3009 1 6 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.915 -1.290 18018 3010 1 6 . 1 1 82 82 GLU H H 82 8.891 8.891 8.838 0.053 18018 3011 1 6 . 1 1 83 83 GLU N N 83 119.348 119.348 117.326 2.022 18018 3012 1 6 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.147 0.000 18018 3013 1 6 . 1 1 83 83 GLU C C 83 178.794 178.794 177.697 1.097 18018 3014 1 6 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.913 0.169 18018 3015 1 6 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.488 -1.113 18018 3016 1 6 . 1 1 83 83 GLU H H 83 8.827 8.827 8.930 -0.103 18018 3017 1 6 . 1 1 84 84 THR N N 84 119.678 119.678 113.468 6.210 18018 3018 1 6 . 1 1 84 84 THR HA H 84 4.131 4.131 4.296 -0.165 18018 3019 1 6 . 1 1 84 84 THR C C 84 176.165 176.165 175.919 0.246 18018 3020 1 6 . 1 1 84 84 THR CA C 84 66.422 66.422 65.684 0.738 18018 3021 1 6 . 1 1 84 84 THR CB C 84 65.645 65.645 70.642 -4.998 18018 3022 1 6 . 1 1 84 84 THR H H 84 8.552 8.552 7.736 0.816 18018 3023 1 6 . 1 1 85 85 ILE N N 85 123.677 123.677 124.112 -0.435 18018 3024 1 6 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.579 0.240 18018 3025 1 6 . 1 1 85 85 ILE C C 85 174.809 174.809 177.496 -2.687 18018 3026 1 6 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.387 -0.804 18018 3027 1 6 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.868 0.622 18018 3028 1 6 . 1 1 85 85 ILE H H 85 8.571 8.571 8.730 -0.159 18018 3029 1 6 . 1 1 86 86 ARG N N 86 119.556 119.556 118.923 0.633 18018 3030 1 6 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.081 0.090 18018 3031 1 6 . 1 1 86 86 ARG CA C 86 59.619 59.619 58.834 0.785 18018 3032 1 6 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.521 -0.663 18018 3033 1 6 . 1 1 86 86 ARG H H 86 9.093 9.093 8.624 0.469 18018 3034 1 6 . 1 1 87 87 ALA N N 87 121.431 121.431 123.052 -1.621 18018 3035 1 6 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.097 0.191 18018 3036 1 6 . 1 1 87 87 ALA CA C 87 54.155 54.155 54.995 -0.841 18018 3037 1 6 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.177 -1.105 18018 3038 1 6 . 1 1 87 87 ALA H H 87 8.206 8.206 7.739 0.467 18018 3039 1 6 . 1 1 88 88 LYS N N 88 122.850 122.850 119.027 3.823 18018 3040 1 6 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.858 0.124 18018 3041 1 6 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.960 -3.087 18018 3042 1 6 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.928 -2.105 18018 3043 1 6 . 1 1 88 88 LYS H H 88 8.145 8.145 7.779 0.366 18018 3044 1 6 . 1 1 89 89 MET N N 89 118.786 118.786 116.543 2.243 18018 3045 1 6 . 1 1 89 89 MET HA H 89 3.810 3.810 4.168 -0.358 18018 3046 1 6 . 1 1 89 89 MET CA C 89 60.096 60.096 58.617 1.480 18018 3047 1 6 . 1 1 89 89 MET CB C 89 32.329 32.329 32.474 -0.145 18018 3048 1 6 . 1 1 89 89 MET H H 89 8.468 8.468 8.357 0.111 18018 3049 1 6 . 1 1 90 90 VAL N N 90 120.770 120.770 119.995 0.775 18018 3050 1 6 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.592 0.235 18018 3051 1 6 . 1 1 90 90 VAL C C 90 178.017 178.017 178.213 -0.196 18018 3052 1 6 . 1 1 90 90 VAL CA C 90 65.625 65.625 65.456 0.169 18018 3053 1 6 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.817 -0.078 18018 3054 1 6 . 1 1 90 90 VAL H H 90 7.504 7.504 7.551 -0.047 18018 3055 1 6 . 1 1 91 91 GLU N N 91 124.409 124.409 121.266 3.143 18018 3056 1 6 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.933 -0.145 18018 3057 1 6 . 1 1 91 91 GLU C C 91 177.612 177.612 178.825 -1.213 18018 3058 1 6 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.514 -1.100 18018 3059 1 6 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.733 1.712 18018 3060 1 6 . 1 1 91 91 GLU H H 91 8.486 8.486 8.192 0.294 18018 3061 1 6 . 1 1 92 92 LEU N N 92 114.680 114.680 117.488 -2.808 18018 3062 1 6 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.220 0.170 18018 3063 1 6 . 1 1 92 92 LEU C C 92 177.928 177.928 178.735 -0.807 18018 3064 1 6 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.823 -0.189 18018 3065 1 6 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.590 -1.249 18018 3066 1 6 . 1 1 92 92 LEU H H 92 8.823 8.823 8.033 0.790 18018 3067 1 6 . 1 1 93 93 ARG N N 93 123.603 123.603 121.299 2.304 18018 3068 1 6 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.123 -0.180 18018 3069 1 6 . 1 1 93 93 ARG C C 93 176.350 176.350 178.093 -1.743 18018 3070 1 6 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.652 0.929 18018 3071 1 6 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.889 -0.986 18018 3072 1 6 . 1 1 93 93 ARG H H 93 7.690 7.690 8.091 -0.401 18018 3073 1 6 . 1 1 94 94 ALA N N 94 122.480 122.480 120.067 2.413 18018 3074 1 6 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.056 0.205 18018 3075 1 6 . 1 1 94 94 ALA C C 94 179.805 179.805 179.605 0.200 18018 3076 1 6 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.032 -0.503 18018 3077 1 6 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.164 -1.228 18018 3078 1 6 . 1 1 94 94 ALA H H 94 7.269 7.269 7.675 -0.406 18018 3079 1 6 . 1 1 95 95 THR N N 95 116.936 116.936 113.946 2.990 18018 3080 1 6 . 1 1 95 95 THR HA H 95 4.045 4.045 4.109 -0.064 18018 3081 1 6 . 1 1 95 95 THR C C 95 175.007 175.007 176.279 -1.272 18018 3082 1 6 . 1 1 95 95 THR CA C 95 65.569 65.569 65.773 -0.204 18018 3083 1 6 . 1 1 95 95 THR CB C 95 68.334 68.334 68.966 -0.632 18018 3084 1 6 . 1 1 95 95 THR H H 95 8.282 8.282 7.574 0.708 18018 3085 1 6 . 1 1 96 96 ALA N N 96 124.095 124.095 123.788 0.307 18018 3086 1 6 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.983 -0.121 18018 3087 1 6 . 1 1 96 96 ALA C C 96 178.184 178.184 179.115 -0.931 18018 3088 1 6 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.489 0.260 18018 3089 1 6 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.213 0.557 18018 3090 1 6 . 1 1 96 96 ALA H H 96 8.681 8.681 8.435 0.246 18018 3091 1 6 . 1 1 97 97 ARG N N 97 117.328 117.328 118.538 -1.210 18018 3092 1 6 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.018 -0.232 18018 3093 1 6 . 1 1 97 97 ARG C C 97 176.770 176.770 178.937 -2.167 18018 3094 1 6 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.459 0.102 18018 3095 1 6 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.134 -0.517 18018 3096 1 6 . 1 1 97 97 ARG H H 97 8.070 8.070 7.652 0.418 18018 3097 1 6 . 1 1 98 98 GLU N N 98 118.245 118.245 120.233 -1.988 18018 3098 1 6 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.070 0.045 18018 3099 1 6 . 1 1 98 98 GLU C C 98 178.865 178.865 178.881 -0.016 18018 3100 1 6 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.948 -0.459 18018 3101 1 6 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.246 -0.734 18018 3102 1 6 . 1 1 98 98 GLU H H 98 7.855 7.855 7.904 -0.049 18018 3103 1 6 . 1 1 99 99 GLN N N 99 119.735 119.735 118.058 1.677 18018 3104 1 6 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.050 0.121 18018 3105 1 6 . 1 1 99 99 GLN C C 99 178.146 178.146 177.846 0.300 18018 3106 1 6 . 1 1 99 99 GLN CA C 99 58.245 58.245 57.656 0.589 18018 3107 1 6 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.129 -1.035 18018 3108 1 6 . 1 1 99 99 GLN H H 99 8.312 8.312 8.343 -0.031 18018 3109 1 6 . 1 1 100 100 ILE N N 100 119.864 119.864 120.952 -1.088 18018 3110 1 6 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.753 0.197 18018 3111 1 6 . 1 1 100 100 ILE C C 100 178.315 178.315 178.126 0.189 18018 3112 1 6 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.114 -1.510 18018 3113 1 6 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.818 -1.322 18018 3114 1 6 . 1 1 100 100 ILE H H 100 8.445 8.445 7.576 0.869 18018 3115 1 6 . 1 1 101 101 ILE N N 101 120.514 120.514 120.453 0.061 18018 3116 1 6 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.756 0.256 18018 3117 1 6 . 1 1 101 101 ILE C C 101 177.006 177.006 178.934 -1.928 18018 3118 1 6 . 1 1 101 101 ILE CA C 101 62.977 62.977 63.908 -0.931 18018 3119 1 6 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.797 -0.137 18018 3120 1 6 . 1 1 101 101 ILE H H 101 8.329 8.329 7.813 0.516 18018 3121 1 6 . 1 1 102 102 SER N N 102 116.172 116.172 114.292 1.880 18018 3122 1 6 . 1 1 102 102 SER HA H 102 4.562 4.562 4.319 0.243 18018 3123 1 6 . 1 1 102 102 SER C C 102 173.845 173.845 175.006 -1.161 18018 3124 1 6 . 1 1 102 102 SER CA C 102 59.502 59.502 59.848 -0.346 18018 3125 1 6 . 1 1 102 102 SER CB C 102 63.012 63.012 62.786 0.226 18018 3126 1 6 . 1 1 102 102 SER H H 102 7.882 7.882 8.363 -0.481 18018 3127 1 6 . 1 1 103 103 GLU N N 103 122.642 122.642 119.876 2.766 18018 3128 1 6 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.342 0.098 18018 3129 1 6 . 1 1 103 103 GLU C C 103 175.095 175.095 176.561 -1.466 18018 3130 1 6 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.224 -0.596 18018 3131 1 6 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.467 -0.654 18018 3132 1 6 . 1 1 103 103 GLU H H 103 7.735 7.735 7.758 -0.023 18018 3133 1 7 . 1 1 4 4 PHE N N 4 122.548 122.548 122.025 0.523 18018 3134 1 7 . 1 1 4 4 PHE HA H 4 4.683 4.683 5.026 -0.343 18018 3135 1 7 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.153 -0.546 18018 3136 1 7 . 1 1 4 4 PHE CB C 4 38.895 38.895 40.981 -2.086 18018 3137 1 7 . 1 1 4 4 PHE H H 4 8.328 8.328 8.036 0.292 18018 3138 1 7 . 1 1 7 7 ARG N N 7 121.962 121.962 118.393 3.569 18018 3139 1 7 . 1 1 7 7 ARG HA H 7 4.256 4.256 3.993 0.263 18018 3140 1 7 . 1 1 7 7 ARG C C 7 176.683 176.683 175.772 0.911 18018 3141 1 7 . 1 1 7 7 ARG CA C 7 57.087 57.087 58.043 -0.956 18018 3142 1 7 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.005 -0.643 18018 3143 1 7 . 1 1 7 7 ARG H H 7 8.321 8.321 8.329 -0.008 18018 3144 1 7 . 1 1 8 8 GLU N N 8 121.095 121.095 120.335 0.760 18018 3145 1 7 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.147 0.104 18018 3146 1 7 . 1 1 8 8 GLU C C 8 176.964 176.964 176.594 0.370 18018 3147 1 7 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.347 -0.414 18018 3148 1 7 . 1 1 8 8 GLU CB C 8 28.855 28.855 28.445 0.410 18018 3149 1 7 . 1 1 8 8 GLU H H 8 8.388 8.388 8.197 0.191 18018 3150 1 7 . 1 1 9 9 ARG N N 9 121.310 121.310 119.997 1.313 18018 3151 1 7 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.902 0.438 18018 3152 1 7 . 1 1 9 9 ARG C C 9 176.563 176.563 175.466 1.097 18018 3153 1 7 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.357 -0.944 18018 3154 1 7 . 1 1 9 9 ARG CB C 9 29.669 29.669 26.971 2.698 18018 3155 1 7 . 1 1 9 9 ARG H H 9 8.268 8.268 9.179 -0.911 18018 3156 1 7 . 1 1 10 10 ALA N N 10 124.224 124.224 119.744 4.480 18018 3157 1 7 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.160 0.158 18018 3158 1 7 . 1 1 10 10 ALA C C 10 178.129 178.129 177.796 0.333 18018 3159 1 7 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.926 0.021 18018 3160 1 7 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.827 -2.071 18018 3161 1 7 . 1 1 10 10 ALA H H 10 8.222 8.222 7.856 0.366 18018 3162 1 7 . 1 1 11 11 HIS N N 11 118.081 118.081 116.363 1.718 18018 3163 1 7 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.853 -0.154 18018 3164 1 7 . 1 1 11 11 HIS C C 11 175.013 175.013 177.251 -2.238 18018 3165 1 7 . 1 1 11 11 HIS CA C 11 56.255 56.255 58.553 -2.298 18018 3166 1 7 . 1 1 11 11 HIS CB C 11 28.767 28.767 30.682 -1.915 18018 3167 1 7 . 1 1 11 11 HIS H H 11 8.486 8.486 7.668 0.818 18018 3168 1 7 . 1 1 12 12 GLU N N 12 121.492 121.492 119.393 2.099 18018 3169 1 7 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.412 -0.134 18018 3170 1 7 . 1 1 12 12 GLU C C 12 176.808 176.808 176.834 -0.026 18018 3171 1 7 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.471 -0.850 18018 3172 1 7 . 1 1 12 12 GLU CB C 12 28.853 28.853 30.713 -1.861 18018 3173 1 7 . 1 1 12 12 GLU H H 12 8.370 8.370 7.727 0.643 18018 3174 1 7 . 1 1 13 13 ALA N N 13 123.583 123.583 119.205 4.378 18018 3175 1 7 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.680 -0.376 18018 3176 1 7 . 1 1 13 13 ALA C C 13 178.197 178.197 176.644 1.553 18018 3177 1 7 . 1 1 13 13 ALA CA C 13 54.051 54.051 51.705 2.346 18018 3178 1 7 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.230 -1.442 18018 3179 1 7 . 1 1 13 13 ALA H H 13 8.426 8.426 8.284 0.142 18018 3180 1 7 . 1 1 14 14 LYS N N 14 119.772 119.772 119.202 0.570 18018 3181 1 7 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.980 0.238 18018 3182 1 7 . 1 1 14 14 LYS C C 14 176.757 176.757 176.556 0.201 18018 3183 1 7 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.249 -1.139 18018 3184 1 7 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.572 -0.829 18018 3185 1 7 . 1 1 14 14 LYS H H 14 8.073 8.073 7.972 0.101 18018 3186 1 7 . 1 1 15 15 PHE N N 15 118.073 118.073 113.928 4.145 18018 3187 1 7 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.602 -0.158 18018 3188 1 7 . 1 1 15 15 PHE C C 15 175.635 175.635 176.974 -1.339 18018 3189 1 7 . 1 1 15 15 PHE CA C 15 59.001 59.001 59.353 -0.352 18018 3190 1 7 . 1 1 15 15 PHE CB C 15 38.491 38.491 39.455 -0.964 18018 3191 1 7 . 1 1 15 15 PHE H H 15 7.926 7.926 7.994 -0.068 18018 3192 1 7 . 1 1 16 16 ALA N N 16 122.453 122.453 121.731 0.722 18018 3193 1 7 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.144 0.162 18018 3194 1 7 . 1 1 16 16 ALA C C 16 177.641 177.641 177.737 -0.096 18018 3195 1 7 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.411 -1.359 18018 3196 1 7 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.720 -0.699 18018 3197 1 7 . 1 1 16 16 ALA H H 16 8.137 8.137 7.864 0.273 18018 3198 1 7 . 1 1 17 17 HIS N N 17 115.587 115.587 119.140 -3.553 18018 3199 1 7 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.462 0.363 18018 3200 1 7 . 1 1 17 17 HIS CA C 17 55.095 55.095 55.546 -0.451 18018 3201 1 7 . 1 1 17 17 HIS CB C 17 28.958 28.958 28.754 0.204 18018 3202 1 7 . 1 1 17 17 HIS H H 17 8.051 8.051 8.357 -0.306 18018 3203 1 7 . 1 1 18 18 ASP N N 18 121.432 121.432 121.965 -0.533 18018 3204 1 7 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.640 0.150 18018 3205 1 7 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.953 -2.371 18018 3206 1 7 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.323 0.464 18018 3207 1 7 . 1 1 18 18 ASP H H 18 7.913 7.913 8.195 -0.282 18018 3208 1 7 . 1 1 19 19 ALA N N 19 126.983 126.983 119.658 7.325 18018 3209 1 7 . 1 1 19 19 ALA HA H 19 4.296 4.296 4.475 -0.179 18018 3210 1 7 . 1 1 19 19 ALA CA C 19 54.047 54.047 53.062 0.985 18018 3211 1 7 . 1 1 19 19 ALA CB C 19 17.859 17.859 18.350 -0.491 18018 3212 1 7 . 1 1 19 19 ALA H H 19 8.599 8.599 7.420 1.179 18018 3213 1 7 . 1 1 20 20 GLU N N 20 119.997 119.997 116.763 3.234 18018 3214 1 7 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.356 -0.027 18018 3215 1 7 . 1 1 20 20 GLU CA C 20 58.378 58.378 56.800 1.578 18018 3216 1 7 . 1 1 20 20 GLU CB C 20 28.877 28.877 30.765 -1.888 18018 3217 1 7 . 1 1 20 20 GLU H H 20 8.377 8.377 8.162 0.215 18018 3218 1 7 . 1 1 21 21 LEU N N 21 122.484 122.484 122.867 -0.383 18018 3219 1 7 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.526 -0.363 18018 3220 1 7 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.623 -0.498 18018 3221 1 7 . 1 1 21 21 LEU CB C 21 41.030 41.030 42.166 -1.136 18018 3222 1 7 . 1 1 21 21 LEU H H 21 8.117 8.117 8.132 -0.015 18018 3223 1 7 . 1 1 22 22 ASN N N 22 117.879 117.879 118.259 -0.380 18018 3224 1 7 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.339 0.353 18018 3225 1 7 . 1 1 22 22 ASN CA C 22 56.338 56.338 57.023 -0.685 18018 3226 1 7 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.945 2.193 18018 3227 1 7 . 1 1 22 22 ASN H H 22 8.507 8.507 7.956 0.551 18018 3228 1 7 . 1 1 23 23 PHE N N 23 121.096 121.096 119.429 1.667 18018 3229 1 7 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.296 0.167 18018 3230 1 7 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.380 -1.141 18018 3231 1 7 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.352 -1.320 18018 3232 1 7 . 1 1 23 23 PHE H H 23 8.465 8.465 8.736 -0.271 18018 3233 1 7 . 1 1 24 24 LYS N N 24 120.580 120.580 118.761 1.819 18018 3234 1 7 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.187 -0.016 18018 3235 1 7 . 1 1 24 24 LYS C C 24 179.309 179.309 178.759 0.550 18018 3236 1 7 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.670 0.371 18018 3237 1 7 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.465 -0.078 18018 3238 1 7 . 1 1 24 24 LYS H H 24 8.427 8.427 7.768 0.659 18018 3239 1 7 . 1 1 25 25 ALA N N 25 123.682 123.682 122.662 1.020 18018 3240 1 7 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.118 0.003 18018 3241 1 7 . 1 1 25 25 ALA C C 25 178.243 178.243 179.474 -1.231 18018 3242 1 7 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.136 -0.672 18018 3243 1 7 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.485 -0.786 18018 3244 1 7 . 1 1 25 25 ALA H H 25 8.768 8.768 8.757 0.011 18018 3245 1 7 . 1 1 26 26 GLU N N 26 122.051 122.051 118.194 3.857 18018 3246 1 7 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.937 0.084 18018 3247 1 7 . 1 1 26 26 GLU C C 26 177.265 177.265 178.284 -1.019 18018 3248 1 7 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.308 -0.847 18018 3249 1 7 . 1 1 26 26 GLU CB C 26 28.762 28.762 28.865 -0.103 18018 3250 1 7 . 1 1 26 26 GLU H H 26 8.532 8.532 8.625 -0.093 18018 3251 1 7 . 1 1 27 27 ALA N N 27 122.124 122.124 122.217 -0.093 18018 3252 1 7 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.056 0.269 18018 3253 1 7 . 1 1 27 27 ALA C C 27 180.552 180.552 179.339 1.213 18018 3254 1 7 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.507 -0.338 18018 3255 1 7 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.439 -1.331 18018 3256 1 7 . 1 1 27 27 ALA H H 27 8.048 8.048 7.256 0.792 18018 3257 1 7 . 1 1 28 28 ARG N N 28 120.501 120.501 119.620 0.881 18018 3258 1 7 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.047 0.365 18018 3259 1 7 . 1 1 28 28 ARG C C 28 176.309 176.309 178.700 -2.391 18018 3260 1 7 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.880 -2.912 18018 3261 1 7 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.255 -3.340 18018 3262 1 7 . 1 1 28 28 ARG H H 28 8.046 8.046 7.904 0.142 18018 3263 1 7 . 1 1 29 29 ARG N N 29 122.842 122.842 117.009 5.833 18018 3264 1 7 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.993 -0.295 18018 3265 1 7 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.496 -0.080 18018 3266 1 7 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.175 -1.027 18018 3267 1 7 . 1 1 29 29 ARG H H 29 8.908 8.908 8.657 0.251 18018 3268 1 7 . 1 1 30 30 ASN N N 30 120.150 120.150 119.123 1.027 18018 3269 1 7 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.499 0.135 18018 3270 1 7 . 1 1 30 30 ASN C C 30 175.888 175.888 177.482 -1.594 18018 3271 1 7 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.122 -0.715 18018 3272 1 7 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.798 -1.863 18018 3273 1 7 . 1 1 30 30 ASN H H 30 8.402 8.402 8.008 0.394 18018 3274 1 7 . 1 1 31 31 ARG N N 31 123.400 123.400 121.053 2.347 18018 3275 1 7 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.315 -0.033 18018 3276 1 7 . 1 1 31 31 ARG C C 31 177.804 177.804 179.016 -1.212 18018 3277 1 7 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.249 -0.299 18018 3278 1 7 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.112 -0.991 18018 3279 1 7 . 1 1 31 31 ARG H H 31 7.996 7.996 7.647 0.349 18018 3280 1 7 . 1 1 32 32 LEU N N 32 119.872 119.872 119.147 0.725 18018 3281 1 7 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.088 0.203 18018 3282 1 7 . 1 1 32 32 LEU C C 32 180.602 180.602 179.575 1.027 18018 3283 1 7 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.637 -0.391 18018 3284 1 7 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.753 -0.583 18018 3285 1 7 . 1 1 32 32 LEU H H 32 8.742 8.742 7.491 1.251 18018 3286 1 7 . 1 1 33 33 LEU N N 33 124.468 124.468 120.548 3.920 18018 3287 1 7 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.166 0.135 18018 3288 1 7 . 1 1 33 33 LEU C C 33 177.992 177.992 179.059 -1.067 18018 3289 1 7 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.422 -0.407 18018 3290 1 7 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.607 0.632 18018 3291 1 7 . 1 1 33 33 LEU H H 33 9.249 9.249 8.505 0.744 18018 3292 1 7 . 1 1 34 34 GLY N N 34 109.045 109.045 106.560 2.485 18018 3293 1 7 . 1 1 34 34 GLY C C 34 174.530 174.530 175.864 -1.334 18018 3294 1 7 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.545 -0.099 18018 3295 1 7 . 1 1 34 34 GLY H H 34 8.873 8.873 8.966 -0.093 18018 3296 1 7 . 1 1 35 35 GLU N N 35 123.414 123.414 120.873 2.541 18018 3297 1 7 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.301 -0.124 18018 3298 1 7 . 1 1 35 35 GLU C C 35 178.866 178.866 178.036 0.830 18018 3299 1 7 . 1 1 35 35 GLU CA C 35 59.031 59.031 57.737 1.294 18018 3300 1 7 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.713 -0.750 18018 3301 1 7 . 1 1 35 35 GLU H H 35 8.920 8.920 8.093 0.827 18018 3302 1 7 . 1 1 36 36 TRP N N 36 124.774 124.774 122.000 2.774 18018 3303 1 7 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.445 0.138 18018 3304 1 7 . 1 1 36 36 TRP C C 36 177.618 177.618 177.586 0.032 18018 3305 1 7 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.255 -0.637 18018 3306 1 7 . 1 1 36 36 TRP CB C 36 26.594 26.594 30.048 -3.454 18018 3307 1 7 . 1 1 36 36 TRP H H 36 8.510 8.510 7.580 0.930 18018 3308 1 7 . 1 1 37 37 ALA N N 37 123.777 123.777 121.590 2.187 18018 3309 1 7 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.188 0.189 18018 3310 1 7 . 1 1 37 37 ALA C C 37 177.427 177.427 179.003 -1.576 18018 3311 1 7 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.619 -0.770 18018 3312 1 7 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.896 1.149 18018 3313 1 7 . 1 1 37 37 ALA H H 37 9.122 9.122 8.618 0.504 18018 3314 1 7 . 1 1 38 38 ALA N N 38 119.259 119.259 120.434 -1.175 18018 3315 1 7 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.083 0.411 18018 3316 1 7 . 1 1 38 38 ALA C C 38 178.670 178.670 179.092 -0.422 18018 3317 1 7 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.892 -0.449 18018 3318 1 7 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.121 -0.432 18018 3319 1 7 . 1 1 38 38 ALA H H 38 8.772 8.772 8.386 0.386 18018 3320 1 7 . 1 1 39 39 GLY N N 39 104.027 104.027 104.966 -0.939 18018 3321 1 7 . 1 1 39 39 GLY C C 39 177.232 177.232 176.065 1.167 18018 3322 1 7 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.418 0.004 18018 3323 1 7 . 1 1 39 39 GLY H H 39 7.733 7.733 7.761 -0.028 18018 3324 1 7 . 1 1 40 40 LEU N N 40 125.448 125.448 120.751 4.697 18018 3325 1 7 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.024 0.061 18018 3326 1 7 . 1 1 40 40 LEU C C 40 178.203 178.203 177.772 0.431 18018 3327 1 7 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.481 0.237 18018 3328 1 7 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.767 -0.429 18018 3329 1 7 . 1 1 40 40 LEU H H 40 7.492 7.492 7.373 0.119 18018 3330 1 7 . 1 1 41 41 LEU N N 41 117.234 117.234 116.522 0.712 18018 3331 1 7 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.007 0.100 18018 3332 1 7 . 1 1 41 41 LEU C C 41 176.119 176.119 178.113 -1.994 18018 3333 1 7 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.189 -2.307 18018 3334 1 7 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.750 -0.097 18018 3335 1 7 . 1 1 41 41 LEU H H 41 7.676 7.676 7.622 0.054 18018 3336 1 7 . 1 1 42 42 GLY N N 42 109.595 109.595 103.795 5.800 18018 3337 1 7 . 1 1 42 42 GLY C C 42 173.775 173.775 174.878 -1.103 18018 3338 1 7 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.770 0.478 18018 3339 1 7 . 1 1 42 42 GLY H H 42 7.869 7.869 7.617 0.252 18018 3340 1 7 . 1 1 43 43 LYS N N 43 119.965 119.965 120.389 -0.424 18018 3341 1 7 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.319 0.393 18018 3342 1 7 . 1 1 43 43 LYS C C 43 175.246 175.246 176.249 -1.003 18018 3343 1 7 . 1 1 43 43 LYS CA C 43 54.770 54.770 56.514 -1.744 18018 3344 1 7 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.128 0.643 18018 3345 1 7 . 1 1 43 43 LYS H H 43 8.079 8.079 7.924 0.155 18018 3346 1 7 . 1 1 44 44 THR N N 44 114.199 114.199 109.945 4.254 18018 3347 1 7 . 1 1 44 44 THR HA H 44 4.749 4.749 4.449 0.300 18018 3348 1 7 . 1 1 44 44 THR C C 44 174.392 174.392 174.902 -0.510 18018 3349 1 7 . 1 1 44 44 THR CA C 44 58.992 58.992 60.364 -1.372 18018 3350 1 7 . 1 1 44 44 THR CB C 44 71.762 71.762 72.612 -0.850 18018 3351 1 7 . 1 1 44 44 THR H H 44 8.934 8.934 8.058 0.876 18018 3352 1 7 . 1 1 45 45 GLY N N 45 109.657 109.657 113.262 -3.605 18018 3353 1 7 . 1 1 45 45 GLY C C 45 175.330 175.330 174.149 1.181 18018 3354 1 7 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.683 -0.538 18018 3355 1 7 . 1 1 45 45 GLY H H 45 8.862 8.862 8.627 0.235 18018 3356 1 7 . 1 1 46 46 ASP N N 46 128.403 128.403 122.686 5.717 18018 3357 1 7 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.856 -0.323 18018 3358 1 7 . 1 1 46 46 ASP C C 46 177.343 177.343 177.390 -0.047 18018 3359 1 7 . 1 1 46 46 ASP CA C 46 56.485 56.485 53.962 2.523 18018 3360 1 7 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.086 -2.208 18018 3361 1 7 . 1 1 46 46 ASP H H 46 9.283 9.283 8.074 1.209 18018 3362 1 7 . 1 1 47 47 ASP N N 47 121.367 121.367 122.093 -0.726 18018 3363 1 7 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.411 0.225 18018 3364 1 7 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.297 -1.157 18018 3365 1 7 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.645 -0.669 18018 3366 1 7 . 1 1 47 47 ASP H H 47 8.488 8.488 8.008 0.480 18018 3367 1 7 . 1 1 48 48 ALA N N 48 123.210 123.210 121.386 1.824 18018 3368 1 7 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.027 -0.110 18018 3369 1 7 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.227 -1.179 18018 3370 1 7 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.541 -1.899 18018 3371 1 7 . 1 1 48 48 ALA H H 48 7.235 7.235 8.401 -1.166 18018 3372 1 7 . 1 1 49 49 ARG N N 49 120.088 120.088 118.740 1.348 18018 3373 1 7 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.918 0.190 18018 3374 1 7 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.527 -0.827 18018 3375 1 7 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.051 -0.486 18018 3376 1 7 . 1 1 49 49 ARG H H 49 7.777 7.777 8.299 -0.522 18018 3377 1 7 . 1 1 50 50 ALA N N 50 120.988 120.988 121.662 -0.674 18018 3378 1 7 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.064 0.127 18018 3379 1 7 . 1 1 50 50 ALA CA C 50 54.083 54.083 55.038 -0.955 18018 3380 1 7 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.120 -0.841 18018 3381 1 7 . 1 1 50 50 ALA H H 50 8.350 8.350 8.018 0.332 18018 3382 1 7 . 1 1 51 51 TYR N N 51 119.264 119.264 120.243 -0.979 18018 3383 1 7 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.012 0.189 18018 3384 1 7 . 1 1 51 51 TYR C C 51 178.335 178.335 177.346 0.989 18018 3385 1 7 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.695 -0.608 18018 3386 1 7 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.346 -0.506 18018 3387 1 7 . 1 1 51 51 TYR H H 51 8.054 8.054 8.186 -0.132 18018 3388 1 7 . 1 1 52 52 ALA N N 52 124.002 124.002 119.430 4.572 18018 3389 1 7 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.157 -0.290 18018 3390 1 7 . 1 1 52 52 ALA C C 52 178.352 178.352 178.466 -0.114 18018 3391 1 7 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.677 0.393 18018 3392 1 7 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.546 -1.711 18018 3393 1 7 . 1 1 52 52 ALA H H 52 8.611 8.611 8.457 0.154 18018 3394 1 7 . 1 1 53 53 LEU N N 53 116.323 116.323 116.747 -0.424 18018 3395 1 7 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.308 -0.024 18018 3396 1 7 . 1 1 53 53 LEU C C 53 177.452 177.452 179.208 -1.756 18018 3397 1 7 . 1 1 53 53 LEU CA C 53 55.862 55.862 56.758 -0.896 18018 3398 1 7 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.352 -1.077 18018 3399 1 7 . 1 1 53 53 LEU H H 53 7.591 7.591 7.641 -0.050 18018 3400 1 7 . 1 1 54 54 THR N N 54 110.782 110.782 116.056 -5.274 18018 3401 1 7 . 1 1 54 54 THR HA H 54 4.392 4.392 3.920 0.472 18018 3402 1 7 . 1 1 54 54 THR CA C 54 62.390 62.390 65.933 -3.543 18018 3403 1 7 . 1 1 54 54 THR H H 54 7.947 7.947 8.133 -0.186 18018 3404 1 7 . 1 1 55 55 VAL N N 55 123.763 123.763 119.020 4.743 18018 3405 1 7 . 1 1 55 55 VAL HA H 55 3.882 3.882 3.937 -0.055 18018 3406 1 7 . 1 1 55 55 VAL CA C 55 62.744 62.744 64.475 -1.731 18018 3407 1 7 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.980 -2.108 18018 3408 1 7 . 1 1 55 55 VAL H H 55 7.171 7.171 7.618 -0.447 18018 3409 1 7 . 1 1 56 56 VAL N N 56 118.917 118.917 117.931 0.986 18018 3410 1 7 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.275 0.115 18018 3411 1 7 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.347 -1.567 18018 3412 1 7 . 1 1 56 56 VAL CB C 56 33.490 33.490 28.963 4.527 18018 3413 1 7 . 1 1 56 56 VAL H H 56 7.409 7.409 7.767 -0.358 18018 3414 1 7 . 1 1 57 57 THR N N 57 115.599 115.599 119.143 -3.544 18018 3415 1 7 . 1 1 57 57 THR HA H 57 4.532 4.532 4.404 0.128 18018 3416 1 7 . 1 1 57 57 THR CA C 57 60.614 60.614 61.663 -1.049 18018 3417 1 7 . 1 1 57 57 THR CB C 57 68.892 68.892 69.770 -0.878 18018 3418 1 7 . 1 1 57 57 THR H H 57 7.916 7.916 7.889 0.027 18018 3419 1 7 . 1 1 58 58 SER N N 58 120.007 120.007 116.124 3.883 18018 3420 1 7 . 1 1 58 58 SER HA H 58 4.547 4.547 4.236 0.311 18018 3421 1 7 . 1 1 58 58 SER CA C 58 57.770 57.770 59.974 -2.204 18018 3422 1 7 . 1 1 58 58 SER CB C 58 63.162 63.162 63.018 0.144 18018 3423 1 7 . 1 1 58 58 SER H H 58 8.580 8.580 8.187 0.393 18018 3424 1 7 . 1 1 59 59 ASP N N 59 122.731 122.731 119.245 3.486 18018 3425 1 7 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.805 -0.115 18018 3426 1 7 . 1 1 59 59 ASP CA C 59 53.456 53.456 53.451 0.005 18018 3427 1 7 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.749 -1.002 18018 3428 1 7 . 1 1 59 59 ASP H H 59 8.399 8.399 8.011 0.388 18018 3429 1 7 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.248 -0.080 18018 3430 1 7 . 1 1 60 60 PHE CA C 60 60.054 60.054 60.606 -0.552 18018 3431 1 7 . 1 1 60 60 PHE CB C 60 35.813 35.813 38.895 -3.082 18018 3432 1 7 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.523 0.073 18018 3433 1 7 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.749 0.199 18018 3434 1 7 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.322 -0.795 18018 3435 1 7 . 1 1 64 64 GLY N N 64 110.688 110.688 108.050 2.638 18018 3436 1 7 . 1 1 64 64 GLY CA C 64 44.670 44.670 43.912 0.758 18018 3437 1 7 . 1 1 64 64 GLY H H 64 8.725 8.725 8.137 0.588 18018 3438 1 7 . 1 1 65 65 ASP N N 65 122.028 122.028 118.724 3.304 18018 3439 1 7 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.383 0.280 18018 3440 1 7 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.762 -0.997 18018 3441 1 7 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.175 -0.713 18018 3442 1 7 . 1 1 65 65 ASP H H 65 8.649 8.649 8.493 0.156 18018 3443 1 7 . 1 1 67 67 ASP N N 67 120.095 120.095 121.863 -1.768 18018 3444 1 7 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.605 -0.024 18018 3445 1 7 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.550 0.004 18018 3446 1 7 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.512 -0.641 18018 3447 1 7 . 1 1 67 67 ASP H H 67 8.181 8.181 8.697 -0.516 18018 3448 1 7 . 1 1 68 68 VAL N N 68 123.206 123.206 119.330 3.876 18018 3449 1 7 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.752 0.065 18018 3450 1 7 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.098 0.617 18018 3451 1 7 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.716 -0.291 18018 3452 1 7 . 1 1 68 68 VAL H H 68 8.014 8.014 7.825 0.189 18018 3453 1 7 . 1 1 69 69 PHE N N 69 120.318 120.318 121.567 -1.249 18018 3454 1 7 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.098 0.024 18018 3455 1 7 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.365 -0.623 18018 3456 1 7 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.186 -0.945 18018 3457 1 7 . 1 1 69 69 PHE H H 69 8.501 8.501 8.100 0.401 18018 3458 1 7 . 1 1 70 70 ARG N N 70 117.820 117.820 119.400 -1.580 18018 3459 1 7 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.832 -0.120 18018 3460 1 7 . 1 1 70 70 ARG C C 70 178.813 178.813 178.473 0.340 18018 3461 1 7 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.547 -0.701 18018 3462 1 7 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.849 -0.067 18018 3463 1 7 . 1 1 70 70 ARG H H 70 8.598 8.598 8.223 0.375 18018 3464 1 7 . 1 1 71 71 LYS N N 71 121.726 121.726 119.515 2.211 18018 3465 1 7 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.032 0.191 18018 3466 1 7 . 1 1 71 71 LYS C C 71 177.020 177.020 178.965 -1.945 18018 3467 1 7 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.565 -1.075 18018 3468 1 7 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.264 -0.378 18018 3469 1 7 . 1 1 71 71 LYS H H 71 7.658 7.658 7.805 -0.147 18018 3470 1 7 . 1 1 72 72 LEU N N 72 119.355 119.355 119.616 -0.261 18018 3471 1 7 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.225 -0.200 18018 3472 1 7 . 1 1 72 72 LEU C C 72 177.378 177.378 178.895 -1.517 18018 3473 1 7 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.505 -0.519 18018 3474 1 7 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.396 0.450 18018 3475 1 7 . 1 1 72 72 LEU H H 72 8.173 8.173 7.542 0.631 18018 3476 1 7 . 1 1 73 73 ALA N N 73 121.169 121.169 121.951 -0.782 18018 3477 1 7 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.883 -0.151 18018 3478 1 7 . 1 1 73 73 ALA C C 73 179.644 179.644 178.554 1.090 18018 3479 1 7 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.445 -0.621 18018 3480 1 7 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.222 -1.686 18018 3481 1 7 . 1 1 73 73 ALA H H 73 9.151 9.151 8.189 0.962 18018 3482 1 7 . 1 1 74 74 ALA N N 74 119.383 119.383 119.118 0.265 18018 3483 1 7 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.055 0.308 18018 3484 1 7 . 1 1 74 74 ALA C C 74 179.752 179.752 180.186 -0.434 18018 3485 1 7 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.759 -1.235 18018 3486 1 7 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.501 -0.857 18018 3487 1 7 . 1 1 74 74 ALA H H 74 7.379 7.379 7.991 -0.612 18018 3488 1 7 . 1 1 75 75 ASP N N 75 120.226 120.226 120.473 -0.247 18018 3489 1 7 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.547 -0.052 18018 3490 1 7 . 1 1 75 75 ASP C C 75 177.704 177.704 177.767 -0.063 18018 3491 1 7 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.545 -0.559 18018 3492 1 7 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.071 -2.127 18018 3493 1 7 . 1 1 75 75 ASP H H 75 8.474 8.474 7.444 1.030 18018 3494 1 7 . 1 1 76 76 LEU N N 76 115.468 115.468 119.259 -3.791 18018 3495 1 7 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.341 0.051 18018 3496 1 7 . 1 1 76 76 LEU C C 76 174.790 174.790 175.845 -1.055 18018 3497 1 7 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.147 -0.523 18018 3498 1 7 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.499 0.700 18018 3499 1 7 . 1 1 76 76 LEU H H 76 8.599 8.599 7.714 0.885 18018 3500 1 7 . 1 1 77 77 GLU N N 77 124.833 124.833 121.688 3.145 18018 3501 1 7 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.044 0.296 18018 3502 1 7 . 1 1 77 77 GLU C C 77 176.953 176.953 177.599 -0.646 18018 3503 1 7 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.917 0.394 18018 3504 1 7 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.819 -1.204 18018 3505 1 7 . 1 1 77 77 GLU H H 77 7.115 7.115 7.294 -0.179 18018 3506 1 7 . 1 1 78 78 GLY N N 78 118.193 118.193 114.094 4.099 18018 3507 1 7 . 1 1 78 78 GLY C C 78 173.075 173.075 174.797 -1.722 18018 3508 1 7 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.927 -0.822 18018 3509 1 7 . 1 1 78 78 GLY H H 78 9.371 9.371 8.757 0.614 18018 3510 1 7 . 1 1 79 79 LYS N N 79 120.237 120.237 119.824 0.413 18018 3511 1 7 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.413 0.218 18018 3512 1 7 . 1 1 79 79 LYS C C 79 175.050 175.050 175.646 -0.596 18018 3513 1 7 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.609 -1.384 18018 3514 1 7 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.808 -0.746 18018 3515 1 7 . 1 1 79 79 LYS H H 79 8.799 8.799 8.262 0.537 18018 3516 1 7 . 1 1 80 80 ALA N N 80 121.135 121.135 123.739 -2.604 18018 3517 1 7 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.681 0.183 18018 3518 1 7 . 1 1 80 80 ALA C C 80 174.051 174.051 174.931 -0.880 18018 3519 1 7 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.409 -0.538 18018 3520 1 7 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.316 -0.189 18018 3521 1 7 . 1 1 80 80 ALA H H 80 8.126 8.126 7.976 0.150 18018 3522 1 7 . 1 1 81 81 ASP N N 81 121.569 121.569 125.487 -3.918 18018 3523 1 7 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.616 0.252 18018 3524 1 7 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.894 -2.925 18018 3525 1 7 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.195 -0.909 18018 3526 1 7 . 1 1 81 81 ASP H H 81 8.283 8.283 8.741 -0.458 18018 3527 1 7 . 1 1 82 82 GLU N N 82 120.044 120.044 121.807 -1.763 18018 3528 1 7 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.103 0.063 18018 3529 1 7 . 1 1 82 82 GLU C C 82 177.350 177.350 178.555 -1.205 18018 3530 1 7 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.682 -0.465 18018 3531 1 7 . 1 1 82 82 GLU CB C 82 28.625 28.625 30.003 -1.379 18018 3532 1 7 . 1 1 82 82 GLU H H 82 8.891 8.891 8.797 0.094 18018 3533 1 7 . 1 1 83 83 GLU N N 83 119.348 119.348 117.505 1.843 18018 3534 1 7 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.136 0.011 18018 3535 1 7 . 1 1 83 83 GLU C C 83 178.794 178.794 177.931 0.863 18018 3536 1 7 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.171 -0.089 18018 3537 1 7 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.426 -1.051 18018 3538 1 7 . 1 1 83 83 GLU H H 83 8.827 8.827 8.875 -0.048 18018 3539 1 7 . 1 1 84 84 THR N N 84 119.678 119.678 114.392 5.286 18018 3540 1 7 . 1 1 84 84 THR HA H 84 4.131 4.131 4.264 -0.133 18018 3541 1 7 . 1 1 84 84 THR C C 84 176.165 176.165 176.343 -0.178 18018 3542 1 7 . 1 1 84 84 THR CA C 84 66.422 66.422 65.026 1.396 18018 3543 1 7 . 1 1 84 84 THR CB C 84 65.645 65.645 69.669 -4.024 18018 3544 1 7 . 1 1 84 84 THR H H 84 8.552 8.552 7.795 0.757 18018 3545 1 7 . 1 1 85 85 ILE N N 85 123.677 123.677 123.795 -0.118 18018 3546 1 7 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.492 0.327 18018 3547 1 7 . 1 1 85 85 ILE C C 85 174.809 174.809 177.666 -2.857 18018 3548 1 7 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.074 -0.491 18018 3549 1 7 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.681 0.809 18018 3550 1 7 . 1 1 85 85 ILE H H 85 8.571 8.571 8.475 0.096 18018 3551 1 7 . 1 1 86 86 ARG N N 86 119.556 119.556 118.498 1.058 18018 3552 1 7 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.076 0.095 18018 3553 1 7 . 1 1 86 86 ARG CA C 86 59.619 59.619 58.533 1.086 18018 3554 1 7 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.365 -0.507 18018 3555 1 7 . 1 1 86 86 ARG H H 86 9.093 9.093 8.613 0.480 18018 3556 1 7 . 1 1 87 87 ALA N N 87 121.431 121.431 123.218 -1.787 18018 3557 1 7 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.146 0.142 18018 3558 1 7 . 1 1 87 87 ALA CA C 87 54.155 54.155 54.821 -0.666 18018 3559 1 7 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.302 -1.230 18018 3560 1 7 . 1 1 87 87 ALA H H 87 8.206 8.206 7.774 0.432 18018 3561 1 7 . 1 1 88 88 LYS N N 88 122.850 122.850 118.857 3.993 18018 3562 1 7 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.816 0.166 18018 3563 1 7 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.415 -2.542 18018 3564 1 7 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.624 -1.801 18018 3565 1 7 . 1 1 88 88 LYS H H 88 8.145 8.145 7.772 0.373 18018 3566 1 7 . 1 1 89 89 MET N N 89 118.786 118.786 117.370 1.416 18018 3567 1 7 . 1 1 89 89 MET HA H 89 3.810 3.810 4.058 -0.248 18018 3568 1 7 . 1 1 89 89 MET CA C 89 60.096 60.096 58.974 1.122 18018 3569 1 7 . 1 1 89 89 MET CB C 89 32.329 32.329 32.231 0.098 18018 3570 1 7 . 1 1 89 89 MET H H 89 8.468 8.468 8.272 0.196 18018 3571 1 7 . 1 1 90 90 VAL N N 90 120.770 120.770 120.921 -0.151 18018 3572 1 7 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.655 0.172 18018 3573 1 7 . 1 1 90 90 VAL C C 90 178.017 178.017 178.232 -0.215 18018 3574 1 7 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.349 -0.724 18018 3575 1 7 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.312 0.427 18018 3576 1 7 . 1 1 90 90 VAL H H 90 7.504 7.504 7.626 -0.122 18018 3577 1 7 . 1 1 91 91 GLU N N 91 124.409 124.409 119.566 4.843 18018 3578 1 7 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.061 -0.273 18018 3579 1 7 . 1 1 91 91 GLU C C 91 177.612 177.612 177.062 0.550 18018 3580 1 7 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.630 -0.216 18018 3581 1 7 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.491 1.953 18018 3582 1 7 . 1 1 91 91 GLU H H 91 8.486 8.486 8.134 0.352 18018 3583 1 7 . 1 1 92 92 LEU N N 92 114.680 114.680 117.298 -2.618 18018 3584 1 7 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.478 -0.088 18018 3585 1 7 . 1 1 92 92 LEU C C 92 177.928 177.928 178.408 -0.480 18018 3586 1 7 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.757 0.877 18018 3587 1 7 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.311 -1.970 18018 3588 1 7 . 1 1 92 92 LEU H H 92 8.823 8.823 7.301 1.522 18018 3589 1 7 . 1 1 93 93 ARG N N 93 123.603 123.603 121.924 1.679 18018 3590 1 7 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.008 -0.065 18018 3591 1 7 . 1 1 93 93 ARG C C 93 176.350 176.350 178.043 -1.693 18018 3592 1 7 . 1 1 93 93 ARG CA C 93 59.581 59.581 59.421 0.160 18018 3593 1 7 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.785 -0.882 18018 3594 1 7 . 1 1 93 93 ARG H H 93 7.690 7.690 8.269 -0.579 18018 3595 1 7 . 1 1 94 94 ALA N N 94 122.480 122.480 120.403 2.077 18018 3596 1 7 . 1 1 94 94 ALA HA H 94 4.261 4.261 3.955 0.306 18018 3597 1 7 . 1 1 94 94 ALA C C 94 179.805 179.805 179.147 0.658 18018 3598 1 7 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.439 -0.910 18018 3599 1 7 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.067 -1.131 18018 3600 1 7 . 1 1 94 94 ALA H H 94 7.269 7.269 7.615 -0.346 18018 3601 1 7 . 1 1 95 95 THR N N 95 116.936 116.936 114.258 2.678 18018 3602 1 7 . 1 1 95 95 THR HA H 95 4.045 4.045 3.941 0.104 18018 3603 1 7 . 1 1 95 95 THR C C 95 175.007 175.007 176.329 -1.322 18018 3604 1 7 . 1 1 95 95 THR CA C 95 65.569 65.569 66.494 -0.925 18018 3605 1 7 . 1 1 95 95 THR CB C 95 68.334 68.334 68.471 -0.137 18018 3606 1 7 . 1 1 95 95 THR H H 95 8.282 8.282 8.003 0.279 18018 3607 1 7 . 1 1 96 96 ALA N N 96 124.095 124.095 124.485 -0.390 18018 3608 1 7 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.252 -0.390 18018 3609 1 7 . 1 1 96 96 ALA C C 96 178.184 178.184 179.557 -1.373 18018 3610 1 7 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.788 -0.039 18018 3611 1 7 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.257 0.513 18018 3612 1 7 . 1 1 96 96 ALA H H 96 8.681 8.681 7.963 0.718 18018 3613 1 7 . 1 1 97 97 ARG N N 97 117.328 117.328 118.576 -1.248 18018 3614 1 7 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.978 -0.192 18018 3615 1 7 . 1 1 97 97 ARG C C 97 176.770 176.770 178.008 -1.238 18018 3616 1 7 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.128 0.433 18018 3617 1 7 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.257 -0.641 18018 3618 1 7 . 1 1 97 97 ARG H H 97 8.070 8.070 7.594 0.476 18018 3619 1 7 . 1 1 98 98 GLU N N 98 118.245 118.245 118.338 -0.093 18018 3620 1 7 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.065 0.050 18018 3621 1 7 . 1 1 98 98 GLU C C 98 178.865 178.865 179.109 -0.244 18018 3622 1 7 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.595 -0.106 18018 3623 1 7 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.273 -0.761 18018 3624 1 7 . 1 1 98 98 GLU H H 98 7.855 7.855 7.618 0.237 18018 3625 1 7 . 1 1 99 99 GLN N N 99 119.735 119.735 119.011 0.724 18018 3626 1 7 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.957 0.214 18018 3627 1 7 . 1 1 99 99 GLN C C 99 178.146 178.146 178.836 -0.690 18018 3628 1 7 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.680 -0.435 18018 3629 1 7 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.491 -1.397 18018 3630 1 7 . 1 1 99 99 GLN H H 99 8.312 8.312 8.382 -0.070 18018 3631 1 7 . 1 1 100 100 ILE N N 100 119.864 119.864 120.314 -0.450 18018 3632 1 7 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.680 0.270 18018 3633 1 7 . 1 1 100 100 ILE C C 100 178.315 178.315 178.104 0.211 18018 3634 1 7 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.421 -2.817 18018 3635 1 7 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.010 -1.514 18018 3636 1 7 . 1 1 100 100 ILE H H 100 8.445 8.445 7.422 1.023 18018 3637 1 7 . 1 1 101 101 ILE N N 101 120.514 120.514 116.983 3.531 18018 3638 1 7 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.668 0.344 18018 3639 1 7 . 1 1 101 101 ILE C C 101 177.006 177.006 178.628 -1.622 18018 3640 1 7 . 1 1 101 101 ILE CA C 101 62.977 62.977 63.861 -0.884 18018 3641 1 7 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.772 -0.111 18018 3642 1 7 . 1 1 101 101 ILE H H 101 8.329 8.329 7.691 0.638 18018 3643 1 7 . 1 1 102 102 SER N N 102 116.172 116.172 115.668 0.504 18018 3644 1 7 . 1 1 102 102 SER HA H 102 4.562 4.562 4.299 0.263 18018 3645 1 7 . 1 1 102 102 SER C C 102 173.845 173.845 175.944 -2.099 18018 3646 1 7 . 1 1 102 102 SER CA C 102 59.502 59.502 60.854 -1.352 18018 3647 1 7 . 1 1 102 102 SER CB C 102 63.012 63.012 63.084 -0.072 18018 3648 1 7 . 1 1 102 102 SER H H 102 7.882 7.882 7.999 -0.117 18018 3649 1 7 . 1 1 103 103 GLU N N 103 122.642 122.642 119.319 3.323 18018 3650 1 7 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.243 0.197 18018 3651 1 7 . 1 1 103 103 GLU C C 103 175.095 175.095 176.897 -1.802 18018 3652 1 7 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.638 -1.010 18018 3653 1 7 . 1 1 103 103 GLU CB C 103 29.813 29.813 29.703 0.111 18018 3654 1 7 . 1 1 103 103 GLU H H 103 7.735 7.735 7.707 0.028 18018 3655 1 8 . 1 1 4 4 PHE N N 4 122.548 122.548 119.587 2.961 18018 3656 1 8 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.799 -0.116 18018 3657 1 8 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.350 0.257 18018 3658 1 8 . 1 1 4 4 PHE CB C 4 38.895 38.895 41.604 -2.709 18018 3659 1 8 . 1 1 4 4 PHE H H 4 8.328 8.328 8.658 -0.330 18018 3660 1 8 . 1 1 7 7 ARG N N 7 121.962 121.962 118.164 3.798 18018 3661 1 8 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.578 -0.322 18018 3662 1 8 . 1 1 7 7 ARG C C 7 176.683 176.683 177.648 -0.965 18018 3663 1 8 . 1 1 7 7 ARG CA C 7 57.087 57.087 56.138 0.949 18018 3664 1 8 . 1 1 7 7 ARG CB C 7 29.362 29.362 31.537 -2.175 18018 3665 1 8 . 1 1 7 7 ARG H H 7 8.321 8.321 8.402 -0.081 18018 3666 1 8 . 1 1 8 8 GLU N N 8 121.095 121.095 121.069 0.026 18018 3667 1 8 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.109 0.142 18018 3668 1 8 . 1 1 8 8 GLU C C 8 176.964 176.964 176.246 0.718 18018 3669 1 8 . 1 1 8 8 GLU CA C 8 56.933 56.933 58.907 -1.974 18018 3670 1 8 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.472 -0.617 18018 3671 1 8 . 1 1 8 8 GLU H H 8 8.388 8.388 8.550 -0.162 18018 3672 1 8 . 1 1 9 9 ARG N N 9 121.310 121.310 113.601 7.709 18018 3673 1 8 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.495 -0.155 18018 3674 1 8 . 1 1 9 9 ARG C C 9 176.563 176.563 174.111 2.452 18018 3675 1 8 . 1 1 9 9 ARG CA C 9 56.413 56.413 55.333 1.080 18018 3676 1 8 . 1 1 9 9 ARG CB C 9 29.669 29.669 29.133 0.536 18018 3677 1 8 . 1 1 9 9 ARG H H 9 8.268 8.268 7.865 0.403 18018 3678 1 8 . 1 1 10 10 ALA N N 10 124.224 124.224 121.457 2.767 18018 3679 1 8 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.544 -0.226 18018 3680 1 8 . 1 1 10 10 ALA C C 10 178.129 178.129 177.076 1.053 18018 3681 1 8 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.982 -0.035 18018 3682 1 8 . 1 1 10 10 ALA CB C 10 17.756 17.756 21.044 -3.288 18018 3683 1 8 . 1 1 10 10 ALA H H 10 8.222 8.222 8.394 -0.172 18018 3684 1 8 . 1 1 11 11 HIS N N 11 118.081 118.081 114.875 3.206 18018 3685 1 8 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.117 -0.418 18018 3686 1 8 . 1 1 11 11 HIS C C 11 175.013 175.013 175.736 -0.723 18018 3687 1 8 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.821 -0.566 18018 3688 1 8 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.507 -3.740 18018 3689 1 8 . 1 1 11 11 HIS H H 11 8.486 8.486 8.077 0.409 18018 3690 1 8 . 1 1 12 12 GLU N N 12 121.492 121.492 119.391 2.101 18018 3691 1 8 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.646 -0.368 18018 3692 1 8 . 1 1 12 12 GLU C C 12 176.808 176.808 177.908 -1.100 18018 3693 1 8 . 1 1 12 12 GLU CA C 12 57.621 57.621 57.994 -0.373 18018 3694 1 8 . 1 1 12 12 GLU CB C 12 28.853 28.853 30.814 -1.962 18018 3695 1 8 . 1 1 12 12 GLU H H 12 8.370 8.370 7.578 0.792 18018 3696 1 8 . 1 1 13 13 ALA N N 13 123.583 123.583 122.911 0.672 18018 3697 1 8 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.167 0.137 18018 3698 1 8 . 1 1 13 13 ALA C C 13 178.197 178.197 179.323 -1.126 18018 3699 1 8 . 1 1 13 13 ALA CA C 13 54.051 54.051 55.646 -1.595 18018 3700 1 8 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.429 -0.641 18018 3701 1 8 . 1 1 13 13 ALA H H 13 8.426 8.426 8.481 -0.055 18018 3702 1 8 . 1 1 14 14 LYS N N 14 119.772 119.772 118.129 1.643 18018 3703 1 8 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.837 0.381 18018 3704 1 8 . 1 1 14 14 LYS C C 14 176.757 176.757 177.982 -1.225 18018 3705 1 8 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.917 -1.807 18018 3706 1 8 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.620 0.123 18018 3707 1 8 . 1 1 14 14 LYS H H 14 8.073 8.073 8.301 -0.228 18018 3708 1 8 . 1 1 15 15 PHE N N 15 118.073 118.073 117.262 0.811 18018 3709 1 8 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.413 0.031 18018 3710 1 8 . 1 1 15 15 PHE C C 15 175.635 175.635 178.112 -2.477 18018 3711 1 8 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.594 -1.593 18018 3712 1 8 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.461 0.030 18018 3713 1 8 . 1 1 15 15 PHE H H 15 7.926 7.926 7.288 0.638 18018 3714 1 8 . 1 1 16 16 ALA N N 16 122.453 122.453 122.371 0.082 18018 3715 1 8 . 1 1 16 16 ALA HA H 16 4.306 4.306 3.986 0.320 18018 3716 1 8 . 1 1 16 16 ALA C C 16 177.641 177.641 178.610 -0.969 18018 3717 1 8 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.763 -1.711 18018 3718 1 8 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.435 -0.414 18018 3719 1 8 . 1 1 16 16 ALA H H 16 8.137 8.137 7.793 0.344 18018 3720 1 8 . 1 1 17 17 HIS N N 17 115.587 115.587 115.256 0.331 18018 3721 1 8 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.498 0.327 18018 3722 1 8 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.809 -1.714 18018 3723 1 8 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.459 -0.501 18018 3724 1 8 . 1 1 17 17 HIS H H 17 8.051 8.051 8.315 -0.264 18018 3725 1 8 . 1 1 18 18 ASP N N 18 121.432 121.432 119.232 2.200 18018 3726 1 8 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.250 0.540 18018 3727 1 8 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.733 -2.151 18018 3728 1 8 . 1 1 18 18 ASP CB C 18 40.787 40.787 39.942 0.845 18018 3729 1 8 . 1 1 18 18 ASP H H 18 7.913 7.913 7.843 0.070 18018 3730 1 8 . 1 1 19 19 ALA N N 19 126.983 126.983 122.193 4.790 18018 3731 1 8 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.478 0.818 18018 3732 1 8 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.138 -0.091 18018 3733 1 8 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.442 0.417 18018 3734 1 8 . 1 1 19 19 ALA H H 19 8.599 8.599 8.291 0.308 18018 3735 1 8 . 1 1 20 20 GLU N N 20 119.997 119.997 120.008 -0.011 18018 3736 1 8 . 1 1 20 20 GLU HA H 20 4.329 4.329 3.981 0.348 18018 3737 1 8 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.913 -0.535 18018 3738 1 8 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.423 -0.546 18018 3739 1 8 . 1 1 20 20 GLU H H 20 8.377 8.377 7.744 0.633 18018 3740 1 8 . 1 1 21 21 LEU N N 21 122.484 122.484 118.781 3.703 18018 3741 1 8 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.300 -0.137 18018 3742 1 8 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.056 -0.931 18018 3743 1 8 . 1 1 21 21 LEU CB C 21 41.030 41.030 42.003 -0.973 18018 3744 1 8 . 1 1 21 21 LEU H H 21 8.117 8.117 8.238 -0.121 18018 3745 1 8 . 1 1 22 22 ASN N N 22 117.879 117.879 117.171 0.708 18018 3746 1 8 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.470 0.222 18018 3747 1 8 . 1 1 22 22 ASN CA C 22 56.338 56.338 55.756 0.582 18018 3748 1 8 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.813 2.325 18018 3749 1 8 . 1 1 22 22 ASN H H 22 8.507 8.507 7.803 0.704 18018 3750 1 8 . 1 1 23 23 PHE N N 23 121.096 121.096 119.798 1.298 18018 3751 1 8 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.400 0.063 18018 3752 1 8 . 1 1 23 23 PHE CA C 23 60.239 60.239 59.791 0.448 18018 3753 1 8 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.575 -0.543 18018 3754 1 8 . 1 1 23 23 PHE H H 23 8.465 8.465 7.285 1.180 18018 3755 1 8 . 1 1 24 24 LYS N N 24 120.580 120.580 118.943 1.637 18018 3756 1 8 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.120 0.051 18018 3757 1 8 . 1 1 24 24 LYS C C 24 179.309 179.309 179.179 0.130 18018 3758 1 8 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.126 0.915 18018 3759 1 8 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.148 0.239 18018 3760 1 8 . 1 1 24 24 LYS H H 24 8.427 8.427 7.747 0.680 18018 3761 1 8 . 1 1 25 25 ALA N N 25 123.682 123.682 121.185 2.497 18018 3762 1 8 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.277 -0.156 18018 3763 1 8 . 1 1 25 25 ALA C C 25 178.243 178.243 179.201 -0.958 18018 3764 1 8 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.771 -0.306 18018 3765 1 8 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.511 -0.812 18018 3766 1 8 . 1 1 25 25 ALA H H 25 8.768 8.768 8.489 0.279 18018 3767 1 8 . 1 1 26 26 GLU N N 26 122.051 122.051 119.890 2.161 18018 3768 1 8 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.025 -0.004 18018 3769 1 8 . 1 1 26 26 GLU C C 26 177.265 177.265 177.858 -0.593 18018 3770 1 8 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.121 -0.660 18018 3771 1 8 . 1 1 26 26 GLU CB C 26 28.762 28.762 28.580 0.182 18018 3772 1 8 . 1 1 26 26 GLU H H 26 8.532 8.532 8.075 0.457 18018 3773 1 8 . 1 1 27 27 ALA N N 27 122.124 122.124 119.491 2.633 18018 3774 1 8 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.284 0.041 18018 3775 1 8 . 1 1 27 27 ALA C C 27 180.552 180.552 178.015 2.537 18018 3776 1 8 . 1 1 27 27 ALA CA C 27 54.169 54.169 53.061 1.108 18018 3777 1 8 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.562 -1.453 18018 3778 1 8 . 1 1 27 27 ALA H H 27 8.048 8.048 7.781 0.267 18018 3779 1 8 . 1 1 28 28 ARG N N 28 120.501 120.501 118.288 2.213 18018 3780 1 8 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.485 -0.073 18018 3781 1 8 . 1 1 28 28 ARG C C 28 176.309 176.309 177.769 -1.460 18018 3782 1 8 . 1 1 28 28 ARG CA C 28 55.969 55.969 57.162 -1.193 18018 3783 1 8 . 1 1 28 28 ARG CB C 28 26.915 26.915 31.078 -4.163 18018 3784 1 8 . 1 1 28 28 ARG H H 28 8.046 8.046 7.655 0.391 18018 3785 1 8 . 1 1 29 29 ARG N N 29 122.842 122.842 121.185 1.657 18018 3786 1 8 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.122 -0.424 18018 3787 1 8 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.435 -0.019 18018 3788 1 8 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.570 -1.422 18018 3789 1 8 . 1 1 29 29 ARG H H 29 8.908 8.908 8.679 0.229 18018 3790 1 8 . 1 1 30 30 ASN N N 30 120.150 120.150 117.849 2.301 18018 3791 1 8 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.675 -0.041 18018 3792 1 8 . 1 1 30 30 ASN C C 30 175.888 175.888 177.423 -1.535 18018 3793 1 8 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.494 -0.087 18018 3794 1 8 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.887 -1.952 18018 3795 1 8 . 1 1 30 30 ASN H H 30 8.402 8.402 8.175 0.227 18018 3796 1 8 . 1 1 31 31 ARG N N 31 123.400 123.400 122.186 1.214 18018 3797 1 8 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.119 0.164 18018 3798 1 8 . 1 1 31 31 ARG C C 31 177.804 177.804 178.073 -0.269 18018 3799 1 8 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.911 0.039 18018 3800 1 8 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.734 -0.613 18018 3801 1 8 . 1 1 31 31 ARG H H 31 7.996 7.996 7.833 0.163 18018 3802 1 8 . 1 1 32 32 LEU N N 32 119.872 119.872 118.797 1.075 18018 3803 1 8 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.145 0.146 18018 3804 1 8 . 1 1 32 32 LEU C C 32 180.602 180.602 179.510 1.092 18018 3805 1 8 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.337 -1.091 18018 3806 1 8 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.498 -0.328 18018 3807 1 8 . 1 1 32 32 LEU H H 32 8.742 8.742 8.615 0.127 18018 3808 1 8 . 1 1 33 33 LEU N N 33 124.468 124.468 119.737 4.731 18018 3809 1 8 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.232 0.069 18018 3810 1 8 . 1 1 33 33 LEU C C 33 177.992 177.992 178.901 -0.909 18018 3811 1 8 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.633 -0.618 18018 3812 1 8 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.777 0.462 18018 3813 1 8 . 1 1 33 33 LEU H H 33 9.249 9.249 7.394 1.855 18018 3814 1 8 . 1 1 34 34 GLY N N 34 109.045 109.045 107.512 1.533 18018 3815 1 8 . 1 1 34 34 GLY C C 34 174.530 174.530 176.150 -1.620 18018 3816 1 8 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.442 0.005 18018 3817 1 8 . 1 1 34 34 GLY H H 34 8.873 8.873 8.518 0.355 18018 3818 1 8 . 1 1 35 35 GLU N N 35 123.414 123.414 122.090 1.324 18018 3819 1 8 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.206 -0.029 18018 3820 1 8 . 1 1 35 35 GLU C C 35 178.866 178.866 178.734 0.132 18018 3821 1 8 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.309 0.723 18018 3822 1 8 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.697 -0.734 18018 3823 1 8 . 1 1 35 35 GLU H H 35 8.920 8.920 8.267 0.653 18018 3824 1 8 . 1 1 36 36 TRP N N 36 124.774 124.774 121.964 2.810 18018 3825 1 8 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.233 0.350 18018 3826 1 8 . 1 1 36 36 TRP C C 36 177.618 177.618 178.240 -0.622 18018 3827 1 8 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.891 -1.273 18018 3828 1 8 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.230 -2.636 18018 3829 1 8 . 1 1 36 36 TRP H H 36 8.510 8.510 7.610 0.900 18018 3830 1 8 . 1 1 37 37 ALA N N 37 123.777 123.777 120.981 2.796 18018 3831 1 8 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.092 0.285 18018 3832 1 8 . 1 1 37 37 ALA C C 37 177.427 177.427 178.891 -1.464 18018 3833 1 8 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.471 -0.622 18018 3834 1 8 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.564 1.482 18018 3835 1 8 . 1 1 37 37 ALA H H 37 9.122 9.122 7.895 1.227 18018 3836 1 8 . 1 1 38 38 ALA N N 38 119.259 119.259 119.390 -0.131 18018 3837 1 8 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.502 -0.008 18018 3838 1 8 . 1 1 38 38 ALA C C 38 178.670 178.670 179.351 -0.681 18018 3839 1 8 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.767 -0.325 18018 3840 1 8 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.090 -0.402 18018 3841 1 8 . 1 1 38 38 ALA H H 38 8.772 8.772 7.942 0.830 18018 3842 1 8 . 1 1 39 39 GLY N N 39 104.027 104.027 104.593 -0.566 18018 3843 1 8 . 1 1 39 39 GLY C C 39 177.232 177.232 175.403 1.829 18018 3844 1 8 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.210 0.212 18018 3845 1 8 . 1 1 39 39 GLY H H 39 7.733 7.733 7.725 0.008 18018 3846 1 8 . 1 1 40 40 LEU N N 40 125.448 125.448 119.589 5.859 18018 3847 1 8 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.145 -0.060 18018 3848 1 8 . 1 1 40 40 LEU C C 40 178.203 178.203 177.308 0.895 18018 3849 1 8 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.331 1.387 18018 3850 1 8 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.337 -0.998 18018 3851 1 8 . 1 1 40 40 LEU H H 40 7.492 7.492 7.110 0.382 18018 3852 1 8 . 1 1 41 41 LEU N N 41 117.234 117.234 114.986 2.248 18018 3853 1 8 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.087 0.020 18018 3854 1 8 . 1 1 41 41 LEU C C 41 176.119 176.119 177.165 -1.046 18018 3855 1 8 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.408 -1.526 18018 3856 1 8 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.256 -0.603 18018 3857 1 8 . 1 1 41 41 LEU H H 41 7.676 7.676 7.423 0.253 18018 3858 1 8 . 1 1 42 42 GLY N N 42 109.595 109.595 106.685 2.910 18018 3859 1 8 . 1 1 42 42 GLY C C 42 173.775 173.775 174.794 -1.019 18018 3860 1 8 . 1 1 42 42 GLY CA C 42 45.248 45.248 45.488 -0.240 18018 3861 1 8 . 1 1 42 42 GLY H H 42 7.869 7.869 7.479 0.390 18018 3862 1 8 . 1 1 43 43 LYS N N 43 119.965 119.965 120.561 -0.596 18018 3863 1 8 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.497 0.215 18018 3864 1 8 . 1 1 43 43 LYS C C 43 175.246 175.246 175.634 -0.388 18018 3865 1 8 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.217 -0.446 18018 3866 1 8 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.615 0.156 18018 3867 1 8 . 1 1 43 43 LYS H H 43 8.079 8.079 7.993 0.086 18018 3868 1 8 . 1 1 44 44 THR N N 44 114.199 114.199 108.320 5.879 18018 3869 1 8 . 1 1 44 44 THR HA H 44 4.749 4.749 4.466 0.283 18018 3870 1 8 . 1 1 44 44 THR C C 44 174.392 174.392 174.820 -0.428 18018 3871 1 8 . 1 1 44 44 THR CA C 44 58.992 58.992 60.319 -1.327 18018 3872 1 8 . 1 1 44 44 THR CB C 44 71.762 71.762 72.223 -0.461 18018 3873 1 8 . 1 1 44 44 THR H H 44 8.934 8.934 7.835 1.099 18018 3874 1 8 . 1 1 45 45 GLY N N 45 109.657 109.657 110.377 -0.720 18018 3875 1 8 . 1 1 45 45 GLY C C 45 175.330 175.330 174.273 1.057 18018 3876 1 8 . 1 1 45 45 GLY CA C 45 46.145 46.145 47.222 -1.077 18018 3877 1 8 . 1 1 45 45 GLY H H 45 8.862 8.862 8.607 0.255 18018 3878 1 8 . 1 1 46 46 ASP N N 46 128.403 128.403 121.801 6.602 18018 3879 1 8 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.865 -0.332 18018 3880 1 8 . 1 1 46 46 ASP C C 46 177.343 177.343 177.310 0.033 18018 3881 1 8 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.890 1.595 18018 3882 1 8 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.233 -2.355 18018 3883 1 8 . 1 1 46 46 ASP H H 46 9.283 9.283 8.272 1.011 18018 3884 1 8 . 1 1 47 47 ASP N N 47 121.367 121.367 122.526 -1.159 18018 3885 1 8 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.375 0.261 18018 3886 1 8 . 1 1 47 47 ASP CA C 47 56.140 56.140 58.209 -2.069 18018 3887 1 8 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.590 -0.614 18018 3888 1 8 . 1 1 47 47 ASP H H 47 8.488 8.488 8.205 0.283 18018 3889 1 8 . 1 1 48 48 ALA N N 48 123.210 123.210 120.749 2.461 18018 3890 1 8 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.042 -0.125 18018 3891 1 8 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.266 -1.218 18018 3892 1 8 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.834 -2.192 18018 3893 1 8 . 1 1 48 48 ALA H H 48 7.235 7.235 7.760 -0.525 18018 3894 1 8 . 1 1 49 49 ARG N N 49 120.088 120.088 118.802 1.286 18018 3895 1 8 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.038 0.070 18018 3896 1 8 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.257 -0.557 18018 3897 1 8 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.146 -0.581 18018 3898 1 8 . 1 1 49 49 ARG H H 49 7.777 7.777 7.368 0.409 18018 3899 1 8 . 1 1 50 50 ALA N N 50 120.988 120.988 121.740 -0.752 18018 3900 1 8 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.087 0.104 18018 3901 1 8 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.679 -0.596 18018 3902 1 8 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.449 -1.170 18018 3903 1 8 . 1 1 50 50 ALA H H 50 8.350 8.350 8.139 0.211 18018 3904 1 8 . 1 1 51 51 TYR N N 51 119.264 119.264 119.150 0.114 18018 3905 1 8 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.131 0.070 18018 3906 1 8 . 1 1 51 51 TYR C C 51 178.335 178.335 177.047 1.288 18018 3907 1 8 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.451 -0.364 18018 3908 1 8 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.570 -0.730 18018 3909 1 8 . 1 1 51 51 TYR H H 51 8.054 8.054 8.466 -0.412 18018 3910 1 8 . 1 1 52 52 ALA N N 52 124.002 124.002 120.211 3.791 18018 3911 1 8 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.204 -0.337 18018 3912 1 8 . 1 1 52 52 ALA C C 52 178.352 178.352 179.030 -0.678 18018 3913 1 8 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.149 0.921 18018 3914 1 8 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.687 -1.852 18018 3915 1 8 . 1 1 52 52 ALA H H 52 8.611 8.611 7.712 0.899 18018 3916 1 8 . 1 1 53 53 LEU N N 53 116.323 116.323 118.659 -2.336 18018 3917 1 8 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.320 -0.036 18018 3918 1 8 . 1 1 53 53 LEU C C 53 177.452 177.452 176.539 0.913 18018 3919 1 8 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.786 1.076 18018 3920 1 8 . 1 1 53 53 LEU CB C 53 41.275 41.275 40.233 1.042 18018 3921 1 8 . 1 1 53 53 LEU H H 53 7.591 7.591 7.643 -0.052 18018 3922 1 8 . 1 1 54 54 THR N N 54 110.782 110.782 112.601 -1.819 18018 3923 1 8 . 1 1 54 54 THR HA H 54 4.392 4.392 4.412 -0.020 18018 3924 1 8 . 1 1 54 54 THR CA C 54 62.390 62.390 61.490 0.899 18018 3925 1 8 . 1 1 54 54 THR H H 54 7.947 7.947 7.971 -0.024 18018 3926 1 8 . 1 1 55 55 VAL N N 55 123.763 123.763 122.492 1.271 18018 3927 1 8 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.277 -0.395 18018 3928 1 8 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.050 0.694 18018 3929 1 8 . 1 1 55 55 VAL CB C 55 29.871 29.871 32.366 -2.495 18018 3930 1 8 . 1 1 55 55 VAL H H 55 7.171 7.171 7.300 -0.129 18018 3931 1 8 . 1 1 56 56 VAL N N 56 118.917 118.917 118.612 0.305 18018 3932 1 8 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.373 0.017 18018 3933 1 8 . 1 1 56 56 VAL CA C 56 60.780 60.780 60.455 0.326 18018 3934 1 8 . 1 1 56 56 VAL CB C 56 33.490 33.490 34.737 -1.247 18018 3935 1 8 . 1 1 56 56 VAL H H 56 7.409 7.409 7.680 -0.271 18018 3936 1 8 . 1 1 57 57 THR N N 57 115.599 115.599 114.544 1.055 18018 3937 1 8 . 1 1 57 57 THR HA H 57 4.532 4.532 3.956 0.576 18018 3938 1 8 . 1 1 57 57 THR CA C 57 60.614 60.614 64.228 -3.614 18018 3939 1 8 . 1 1 57 57 THR CB C 57 68.892 68.892 68.355 0.537 18018 3940 1 8 . 1 1 57 57 THR H H 57 7.916 7.916 9.679 -1.763 18018 3941 1 8 . 1 1 58 58 SER N N 58 120.007 120.007 117.675 2.332 18018 3942 1 8 . 1 1 58 58 SER HA H 58 4.547 4.547 4.223 0.324 18018 3943 1 8 . 1 1 58 58 SER CA C 58 57.770 57.770 59.396 -1.626 18018 3944 1 8 . 1 1 58 58 SER CB C 58 63.162 63.162 62.889 0.273 18018 3945 1 8 . 1 1 58 58 SER H H 58 8.580 8.580 8.332 0.248 18018 3946 1 8 . 1 1 59 59 ASP N N 59 122.731 122.731 120.821 1.910 18018 3947 1 8 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.733 -0.043 18018 3948 1 8 . 1 1 59 59 ASP CA C 59 53.456 53.456 55.000 -1.544 18018 3949 1 8 . 1 1 59 59 ASP CB C 59 40.748 40.748 40.215 0.533 18018 3950 1 8 . 1 1 59 59 ASP H H 59 8.399 8.399 9.090 -0.691 18018 3951 1 8 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.637 -0.469 18018 3952 1 8 . 1 1 60 60 PHE CA C 60 60.054 60.054 55.897 4.157 18018 3953 1 8 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.700 -3.887 18018 3954 1 8 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.475 0.121 18018 3955 1 8 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.018 -0.070 18018 3956 1 8 . 1 1 63 63 PRO CB C 63 31.527 31.527 31.007 0.520 18018 3957 1 8 . 1 1 64 64 GLY N N 64 110.688 110.688 112.750 -2.062 18018 3958 1 8 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.591 0.079 18018 3959 1 8 . 1 1 64 64 GLY H H 64 8.725 8.725 8.469 0.256 18018 3960 1 8 . 1 1 65 65 ASP N N 65 122.028 122.028 119.100 2.928 18018 3961 1 8 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.146 0.517 18018 3962 1 8 . 1 1 65 65 ASP CA C 65 55.765 55.765 57.209 -1.444 18018 3963 1 8 . 1 1 65 65 ASP CB C 65 40.462 40.462 39.469 0.993 18018 3964 1 8 . 1 1 65 65 ASP H H 65 8.649 8.649 8.372 0.277 18018 3965 1 8 . 1 1 67 67 ASP N N 67 120.095 120.095 118.889 1.206 18018 3966 1 8 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.525 0.056 18018 3967 1 8 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.596 -0.043 18018 3968 1 8 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.476 -0.605 18018 3969 1 8 . 1 1 67 67 ASP H H 67 8.181 8.181 8.339 -0.158 18018 3970 1 8 . 1 1 68 68 VAL N N 68 123.206 123.206 119.750 3.456 18018 3971 1 8 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.698 0.119 18018 3972 1 8 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.725 -0.010 18018 3973 1 8 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.986 -0.561 18018 3974 1 8 . 1 1 68 68 VAL H H 68 8.014 8.014 7.439 0.575 18018 3975 1 8 . 1 1 69 69 PHE N N 69 120.318 120.318 120.059 0.259 18018 3976 1 8 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.221 -0.099 18018 3977 1 8 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.064 -0.322 18018 3978 1 8 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.957 -0.716 18018 3979 1 8 . 1 1 69 69 PHE H H 69 8.501 8.501 7.596 0.905 18018 3980 1 8 . 1 1 70 70 ARG N N 70 117.820 117.820 119.570 -1.750 18018 3981 1 8 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.893 -0.181 18018 3982 1 8 . 1 1 70 70 ARG C C 70 178.813 178.813 178.567 0.246 18018 3983 1 8 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.026 -0.180 18018 3984 1 8 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.447 0.335 18018 3985 1 8 . 1 1 70 70 ARG H H 70 8.598 8.598 7.990 0.608 18018 3986 1 8 . 1 1 71 71 LYS N N 71 121.726 121.726 119.834 1.892 18018 3987 1 8 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.075 0.148 18018 3988 1 8 . 1 1 71 71 LYS C C 71 177.020 177.020 179.462 -2.442 18018 3989 1 8 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.158 -0.668 18018 3990 1 8 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.241 -0.355 18018 3991 1 8 . 1 1 71 71 LYS H H 71 7.658 7.658 7.410 0.248 18018 3992 1 8 . 1 1 72 72 LEU N N 72 119.355 119.355 121.139 -1.784 18018 3993 1 8 . 1 1 72 72 LEU HA H 72 4.025 4.025 3.925 0.100 18018 3994 1 8 . 1 1 72 72 LEU C C 72 177.378 177.378 178.729 -1.351 18018 3995 1 8 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.393 -1.407 18018 3996 1 8 . 1 1 72 72 LEU CB C 72 41.846 41.846 42.023 -0.177 18018 3997 1 8 . 1 1 72 72 LEU H H 72 8.173 8.173 8.068 0.105 18018 3998 1 8 . 1 1 73 73 ALA N N 73 121.169 121.169 119.651 1.518 18018 3999 1 8 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.881 -0.149 18018 4000 1 8 . 1 1 73 73 ALA C C 73 179.644 179.644 178.055 1.589 18018 4001 1 8 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.316 -0.492 18018 4002 1 8 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.378 -1.842 18018 4003 1 8 . 1 1 73 73 ALA H H 73 9.151 9.151 8.152 0.999 18018 4004 1 8 . 1 1 74 74 ALA N N 74 119.383 119.383 115.505 3.878 18018 4005 1 8 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.217 0.146 18018 4006 1 8 . 1 1 74 74 ALA C C 74 179.752 179.752 177.557 2.195 18018 4007 1 8 . 1 1 74 74 ALA CA C 74 53.524 53.524 52.732 0.792 18018 4008 1 8 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.628 -0.985 18018 4009 1 8 . 1 1 74 74 ALA H H 74 7.379 7.379 7.407 -0.028 18018 4010 1 8 . 1 1 75 75 ASP N N 75 120.226 120.226 119.816 0.410 18018 4011 1 8 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.743 -0.248 18018 4012 1 8 . 1 1 75 75 ASP C C 75 177.704 177.704 177.485 0.219 18018 4013 1 8 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.347 0.640 18018 4014 1 8 . 1 1 75 75 ASP CB C 75 38.944 38.944 43.410 -4.466 18018 4015 1 8 . 1 1 75 75 ASP H H 75 8.474 8.474 7.867 0.607 18018 4016 1 8 . 1 1 76 76 LEU N N 76 115.468 115.468 121.160 -5.692 18018 4017 1 8 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.269 0.123 18018 4018 1 8 . 1 1 76 76 LEU C C 76 174.790 174.790 176.356 -1.566 18018 4019 1 8 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.524 -0.900 18018 4020 1 8 . 1 1 76 76 LEU CB C 76 40.199 40.199 40.329 -0.130 18018 4021 1 8 . 1 1 76 76 LEU H H 76 8.599 8.599 7.989 0.610 18018 4022 1 8 . 1 1 77 77 GLU N N 77 124.833 124.833 120.976 3.857 18018 4023 1 8 . 1 1 77 77 GLU HA H 77 4.340 4.340 3.986 0.354 18018 4024 1 8 . 1 1 77 77 GLU C C 77 176.953 176.953 177.232 -0.279 18018 4025 1 8 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.315 -0.004 18018 4026 1 8 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.109 -0.494 18018 4027 1 8 . 1 1 77 77 GLU H H 77 7.115 7.115 8.074 -0.959 18018 4028 1 8 . 1 1 78 78 GLY N N 78 118.193 118.193 113.709 4.484 18018 4029 1 8 . 1 1 78 78 GLY C C 78 173.075 173.075 174.752 -1.677 18018 4030 1 8 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.527 -0.422 18018 4031 1 8 . 1 1 78 78 GLY H H 78 9.371 9.371 8.495 0.876 18018 4032 1 8 . 1 1 79 79 LYS N N 79 120.237 120.237 119.456 0.781 18018 4033 1 8 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.399 0.232 18018 4034 1 8 . 1 1 79 79 LYS C C 79 175.050 175.050 175.565 -0.515 18018 4035 1 8 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.469 -1.244 18018 4036 1 8 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.542 -0.480 18018 4037 1 8 . 1 1 79 79 LYS H H 79 8.799 8.799 8.260 0.539 18018 4038 1 8 . 1 1 80 80 ALA N N 80 121.135 121.135 124.732 -3.597 18018 4039 1 8 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.712 0.152 18018 4040 1 8 . 1 1 80 80 ALA C C 80 174.051 174.051 175.061 -1.010 18018 4041 1 8 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.330 -0.459 18018 4042 1 8 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.156 -0.029 18018 4043 1 8 . 1 1 80 80 ALA H H 80 8.126 8.126 7.854 0.272 18018 4044 1 8 . 1 1 81 81 ASP N N 81 121.569 121.569 124.744 -3.175 18018 4045 1 8 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.655 0.213 18018 4046 1 8 . 1 1 81 81 ASP CA C 81 50.969 50.969 52.950 -1.981 18018 4047 1 8 . 1 1 81 81 ASP CB C 81 41.286 41.286 41.984 -0.698 18018 4048 1 8 . 1 1 81 81 ASP H H 81 8.283 8.283 8.627 -0.344 18018 4049 1 8 . 1 1 82 82 GLU N N 82 120.044 120.044 121.950 -1.906 18018 4050 1 8 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.168 -0.002 18018 4051 1 8 . 1 1 82 82 GLU C C 82 177.350 177.350 178.542 -1.192 18018 4052 1 8 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.338 -0.120 18018 4053 1 8 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.941 -1.316 18018 4054 1 8 . 1 1 82 82 GLU H H 82 8.891 8.891 8.845 0.046 18018 4055 1 8 . 1 1 83 83 GLU N N 83 119.348 119.348 117.522 1.826 18018 4056 1 8 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.162 -0.015 18018 4057 1 8 . 1 1 83 83 GLU C C 83 178.794 178.794 177.761 1.033 18018 4058 1 8 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.672 0.410 18018 4059 1 8 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.606 -1.231 18018 4060 1 8 . 1 1 83 83 GLU H H 83 8.827 8.827 8.658 0.169 18018 4061 1 8 . 1 1 84 84 THR N N 84 119.678 119.678 113.097 6.581 18018 4062 1 8 . 1 1 84 84 THR HA H 84 4.131 4.131 4.451 -0.320 18018 4063 1 8 . 1 1 84 84 THR C C 84 176.165 176.165 175.590 0.575 18018 4064 1 8 . 1 1 84 84 THR CA C 84 66.422 66.422 63.634 2.788 18018 4065 1 8 . 1 1 84 84 THR CB C 84 65.645 65.645 70.000 -4.355 18018 4066 1 8 . 1 1 84 84 THR H H 84 8.552 8.552 8.020 0.532 18018 4067 1 8 . 1 1 85 85 ILE N N 85 123.677 123.677 124.222 -0.545 18018 4068 1 8 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.679 0.140 18018 4069 1 8 . 1 1 85 85 ILE C C 85 174.809 174.809 177.592 -2.783 18018 4070 1 8 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.537 -0.954 18018 4071 1 8 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.900 0.590 18018 4072 1 8 . 1 1 85 85 ILE H H 85 8.571 8.571 8.644 -0.073 18018 4073 1 8 . 1 1 86 86 ARG N N 86 119.556 119.556 118.973 0.583 18018 4074 1 8 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.062 0.109 18018 4075 1 8 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.218 0.402 18018 4076 1 8 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.602 -0.744 18018 4077 1 8 . 1 1 86 86 ARG H H 86 9.093 9.093 8.247 0.846 18018 4078 1 8 . 1 1 87 87 ALA N N 87 121.431 121.431 122.388 -0.957 18018 4079 1 8 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.045 0.243 18018 4080 1 8 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.214 -1.059 18018 4081 1 8 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.051 -0.979 18018 4082 1 8 . 1 1 87 87 ALA H H 87 8.206 8.206 7.914 0.292 18018 4083 1 8 . 1 1 88 88 LYS N N 88 122.850 122.850 118.708 4.142 18018 4084 1 8 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.769 0.213 18018 4085 1 8 . 1 1 88 88 LYS CA C 88 55.873 55.873 59.420 -3.547 18018 4086 1 8 . 1 1 88 88 LYS CB C 88 29.823 29.823 32.014 -2.191 18018 4087 1 8 . 1 1 88 88 LYS H H 88 8.145 8.145 8.206 -0.061 18018 4088 1 8 . 1 1 89 89 MET N N 89 118.786 118.786 120.297 -1.511 18018 4089 1 8 . 1 1 89 89 MET HA H 89 3.810 3.810 3.978 -0.168 18018 4090 1 8 . 1 1 89 89 MET CA C 89 60.096 60.096 59.308 0.788 18018 4091 1 8 . 1 1 89 89 MET CB C 89 32.329 32.329 32.625 -0.296 18018 4092 1 8 . 1 1 89 89 MET H H 89 8.468 8.468 8.089 0.379 18018 4093 1 8 . 1 1 90 90 VAL N N 90 120.770 120.770 119.411 1.359 18018 4094 1 8 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.466 0.361 18018 4095 1 8 . 1 1 90 90 VAL C C 90 178.017 178.017 178.137 -0.120 18018 4096 1 8 . 1 1 90 90 VAL CA C 90 65.625 65.625 67.074 -1.449 18018 4097 1 8 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.194 0.545 18018 4098 1 8 . 1 1 90 90 VAL H H 90 7.504 7.504 8.127 -0.623 18018 4099 1 8 . 1 1 91 91 GLU N N 91 124.409 124.409 118.955 5.454 18018 4100 1 8 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.953 -0.165 18018 4101 1 8 . 1 1 91 91 GLU C C 91 177.612 177.612 179.331 -1.719 18018 4102 1 8 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.872 -1.458 18018 4103 1 8 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.629 1.815 18018 4104 1 8 . 1 1 91 91 GLU H H 91 8.486 8.486 8.093 0.393 18018 4105 1 8 . 1 1 92 92 LEU N N 92 114.680 114.680 118.680 -4.000 18018 4106 1 8 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.152 0.238 18018 4107 1 8 . 1 1 92 92 LEU C C 92 177.928 177.928 179.509 -1.581 18018 4108 1 8 . 1 1 92 92 LEU CA C 92 55.634 55.634 57.057 -1.423 18018 4109 1 8 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.498 -1.157 18018 4110 1 8 . 1 1 92 92 LEU H H 92 8.823 8.823 8.137 0.686 18018 4111 1 8 . 1 1 93 93 ARG N N 93 123.603 123.603 119.990 3.613 18018 4112 1 8 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.056 -0.113 18018 4113 1 8 . 1 1 93 93 ARG C C 93 176.350 176.350 178.514 -2.164 18018 4114 1 8 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.519 1.062 18018 4115 1 8 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.201 -0.298 18018 4116 1 8 . 1 1 93 93 ARG H H 93 7.690 7.690 7.836 -0.146 18018 4117 1 8 . 1 1 94 94 ALA N N 94 122.480 122.480 121.646 0.834 18018 4118 1 8 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.422 -0.161 18018 4119 1 8 . 1 1 94 94 ALA C C 94 179.805 179.805 179.637 0.168 18018 4120 1 8 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.066 -0.537 18018 4121 1 8 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.335 -1.399 18018 4122 1 8 . 1 1 94 94 ALA H H 94 7.269 7.269 7.842 -0.573 18018 4123 1 8 . 1 1 95 95 THR N N 95 116.936 116.936 116.289 0.647 18018 4124 1 8 . 1 1 95 95 THR HA H 95 4.045 4.045 3.975 0.070 18018 4125 1 8 . 1 1 95 95 THR C C 95 175.007 175.007 176.058 -1.051 18018 4126 1 8 . 1 1 95 95 THR CA C 95 65.569 65.569 66.925 -1.356 18018 4127 1 8 . 1 1 95 95 THR CB C 95 68.334 68.334 68.783 -0.449 18018 4128 1 8 . 1 1 95 95 THR H H 95 8.282 8.282 8.383 -0.101 18018 4129 1 8 . 1 1 96 96 ALA N N 96 124.095 124.095 121.691 2.404 18018 4130 1 8 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.121 -0.259 18018 4131 1 8 . 1 1 96 96 ALA C C 96 178.184 178.184 178.711 -0.527 18018 4132 1 8 . 1 1 96 96 ALA CA C 96 54.749 54.749 53.796 0.953 18018 4133 1 8 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.194 0.576 18018 4134 1 8 . 1 1 96 96 ALA H H 96 8.681 8.681 7.694 0.987 18018 4135 1 8 . 1 1 97 97 ARG N N 97 117.328 117.328 118.522 -1.194 18018 4136 1 8 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.067 -0.281 18018 4137 1 8 . 1 1 97 97 ARG C C 97 176.770 176.770 178.894 -2.124 18018 4138 1 8 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.240 0.321 18018 4139 1 8 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.136 -0.520 18018 4140 1 8 . 1 1 97 97 ARG H H 97 8.070 8.070 7.528 0.542 18018 4141 1 8 . 1 1 98 98 GLU N N 98 118.245 118.245 120.737 -2.492 18018 4142 1 8 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.005 0.110 18018 4143 1 8 . 1 1 98 98 GLU C C 98 178.865 178.865 178.727 0.138 18018 4144 1 8 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.280 -0.791 18018 4145 1 8 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.207 -0.695 18018 4146 1 8 . 1 1 98 98 GLU H H 98 7.855 7.855 7.978 -0.123 18018 4147 1 8 . 1 1 99 99 GLN N N 99 119.735 119.735 118.108 1.627 18018 4148 1 8 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.999 0.172 18018 4149 1 8 . 1 1 99 99 GLN C C 99 178.146 178.146 178.367 -0.221 18018 4150 1 8 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.433 -0.188 18018 4151 1 8 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.464 -1.370 18018 4152 1 8 . 1 1 99 99 GLN H H 99 8.312 8.312 8.001 0.311 18018 4153 1 8 . 1 1 100 100 ILE N N 100 119.864 119.864 119.055 0.809 18018 4154 1 8 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.659 0.291 18018 4155 1 8 . 1 1 100 100 ILE C C 100 178.315 178.315 178.672 -0.357 18018 4156 1 8 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.616 -2.012 18018 4157 1 8 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.770 -1.274 18018 4158 1 8 . 1 1 100 100 ILE H H 100 8.445 8.445 7.359 1.086 18018 4159 1 8 . 1 1 101 101 ILE N N 101 120.514 120.514 118.108 2.406 18018 4160 1 8 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.780 0.232 18018 4161 1 8 . 1 1 101 101 ILE C C 101 177.006 177.006 178.083 -1.077 18018 4162 1 8 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.966 0.011 18018 4163 1 8 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.522 0.139 18018 4164 1 8 . 1 1 101 101 ILE H H 101 8.329 8.329 7.818 0.511 18018 4165 1 8 . 1 1 102 102 SER N N 102 116.172 116.172 113.852 2.320 18018 4166 1 8 . 1 1 102 102 SER HA H 102 4.562 4.562 4.329 0.233 18018 4167 1 8 . 1 1 102 102 SER C C 102 173.845 173.845 175.031 -1.186 18018 4168 1 8 . 1 1 102 102 SER CA C 102 59.502 59.502 60.346 -0.844 18018 4169 1 8 . 1 1 102 102 SER CB C 102 63.012 63.012 63.301 -0.289 18018 4170 1 8 . 1 1 102 102 SER H H 102 7.882 7.882 7.728 0.154 18018 4171 1 8 . 1 1 103 103 GLU N N 103 122.642 122.642 119.437 3.205 18018 4172 1 8 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.292 0.148 18018 4173 1 8 . 1 1 103 103 GLU C C 103 175.095 175.095 176.718 -1.623 18018 4174 1 8 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.491 -0.863 18018 4175 1 8 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.469 -0.656 18018 4176 1 8 . 1 1 103 103 GLU H H 103 7.735 7.735 7.693 0.042 18018 4177 1 9 . 1 1 4 4 PHE N N 4 122.548 122.548 125.240 -2.692 18018 4178 1 9 . 1 1 4 4 PHE HA H 4 4.683 4.683 3.974 0.709 18018 4179 1 9 . 1 1 4 4 PHE CA C 4 57.607 57.607 60.656 -3.049 18018 4180 1 9 . 1 1 4 4 PHE CB C 4 38.895 38.895 38.344 0.551 18018 4181 1 9 . 1 1 4 4 PHE H H 4 8.328 8.328 8.923 -0.595 18018 4182 1 9 . 1 1 7 7 ARG N N 7 121.962 121.962 119.331 2.631 18018 4183 1 9 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.459 -0.203 18018 4184 1 9 . 1 1 7 7 ARG C C 7 176.683 176.683 176.410 0.273 18018 4185 1 9 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.209 -0.122 18018 4186 1 9 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.270 -0.908 18018 4187 1 9 . 1 1 7 7 ARG H H 7 8.321 8.321 8.749 -0.428 18018 4188 1 9 . 1 1 8 8 GLU N N 8 121.095 121.095 119.806 1.289 18018 4189 1 9 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.345 -0.094 18018 4190 1 9 . 1 1 8 8 GLU C C 8 176.964 176.964 176.790 0.174 18018 4191 1 9 . 1 1 8 8 GLU CA C 8 56.933 56.933 58.096 -1.163 18018 4192 1 9 . 1 1 8 8 GLU CB C 8 28.855 28.855 30.670 -1.815 18018 4193 1 9 . 1 1 8 8 GLU H H 8 8.388 8.388 8.181 0.207 18018 4194 1 9 . 1 1 9 9 ARG N N 9 121.310 121.310 117.075 4.235 18018 4195 1 9 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.526 -0.186 18018 4196 1 9 . 1 1 9 9 ARG C C 9 176.563 176.563 175.952 0.611 18018 4197 1 9 . 1 1 9 9 ARG CA C 9 56.413 56.413 54.860 1.553 18018 4198 1 9 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.613 1.056 18018 4199 1 9 . 1 1 9 9 ARG H H 9 8.268 8.268 8.649 -0.381 18018 4200 1 9 . 1 1 10 10 ALA N N 10 124.224 124.224 119.194 5.030 18018 4201 1 9 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.375 -0.057 18018 4202 1 9 . 1 1 10 10 ALA C C 10 178.129 178.129 177.247 0.882 18018 4203 1 9 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.953 -0.006 18018 4204 1 9 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.286 -2.530 18018 4205 1 9 . 1 1 10 10 ALA H H 10 8.222 8.222 7.808 0.414 18018 4206 1 9 . 1 1 11 11 HIS N N 11 118.081 118.081 114.891 3.190 18018 4207 1 9 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.028 -0.329 18018 4208 1 9 . 1 1 11 11 HIS C C 11 175.013 175.013 175.154 -0.141 18018 4209 1 9 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.251 0.004 18018 4210 1 9 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.766 -3.999 18018 4211 1 9 . 1 1 11 11 HIS H H 11 8.486 8.486 8.016 0.470 18018 4212 1 9 . 1 1 12 12 GLU N N 12 121.492 121.492 120.036 1.456 18018 4213 1 9 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.552 -0.274 18018 4214 1 9 . 1 1 12 12 GLU C C 12 176.808 176.808 177.252 -0.444 18018 4215 1 9 . 1 1 12 12 GLU CA C 12 57.621 57.621 57.120 0.501 18018 4216 1 9 . 1 1 12 12 GLU CB C 12 28.853 28.853 31.939 -3.087 18018 4217 1 9 . 1 1 12 12 GLU H H 12 8.370 8.370 7.827 0.543 18018 4218 1 9 . 1 1 13 13 ALA N N 13 123.583 123.583 123.304 0.279 18018 4219 1 9 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.158 0.146 18018 4220 1 9 . 1 1 13 13 ALA C C 13 178.197 178.197 179.123 -0.926 18018 4221 1 9 . 1 1 13 13 ALA CA C 13 54.051 54.051 54.979 -0.928 18018 4222 1 9 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.684 -0.896 18018 4223 1 9 . 1 1 13 13 ALA H H 13 8.426 8.426 8.450 -0.024 18018 4224 1 9 . 1 1 14 14 LYS N N 14 119.772 119.772 119.708 0.064 18018 4225 1 9 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.880 0.338 18018 4226 1 9 . 1 1 14 14 LYS C C 14 176.757 176.757 178.334 -1.577 18018 4227 1 9 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.215 -2.105 18018 4228 1 9 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.067 -0.324 18018 4229 1 9 . 1 1 14 14 LYS H H 14 8.073 8.073 8.479 -0.406 18018 4230 1 9 . 1 1 15 15 PHE N N 15 118.073 118.073 114.891 3.182 18018 4231 1 9 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.450 -0.006 18018 4232 1 9 . 1 1 15 15 PHE C C 15 175.635 175.635 177.482 -1.847 18018 4233 1 9 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.439 -1.438 18018 4234 1 9 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.318 0.173 18018 4235 1 9 . 1 1 15 15 PHE H H 15 7.926 7.926 7.766 0.160 18018 4236 1 9 . 1 1 16 16 ALA N N 16 122.453 122.453 120.431 2.022 18018 4237 1 9 . 1 1 16 16 ALA HA H 16 4.306 4.306 3.923 0.383 18018 4238 1 9 . 1 1 16 16 ALA C C 16 177.641 177.641 179.064 -1.423 18018 4239 1 9 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.146 -1.094 18018 4240 1 9 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.533 -0.512 18018 4241 1 9 . 1 1 16 16 ALA H H 16 8.137 8.137 7.983 0.154 18018 4242 1 9 . 1 1 17 17 HIS N N 17 115.587 115.587 117.596 -2.009 18018 4243 1 9 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.389 0.436 18018 4244 1 9 . 1 1 17 17 HIS CA C 17 55.095 55.095 58.602 -3.507 18018 4245 1 9 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.643 -1.685 18018 4246 1 9 . 1 1 17 17 HIS H H 17 8.051 8.051 7.898 0.153 18018 4247 1 9 . 1 1 18 18 ASP N N 18 121.432 121.432 114.410 7.022 18018 4248 1 9 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.709 0.081 18018 4249 1 9 . 1 1 18 18 ASP CA C 18 53.582 53.582 53.901 -0.319 18018 4250 1 9 . 1 1 18 18 ASP CB C 18 40.787 40.787 42.341 -1.554 18018 4251 1 9 . 1 1 18 18 ASP H H 18 7.913 7.913 7.735 0.178 18018 4252 1 9 . 1 1 19 19 ALA N N 19 126.983 126.983 122.031 4.952 18018 4253 1 9 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.849 0.447 18018 4254 1 9 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.591 -0.544 18018 4255 1 9 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.429 0.430 18018 4256 1 9 . 1 1 19 19 ALA H H 19 8.599 8.599 8.690 -0.091 18018 4257 1 9 . 1 1 20 20 GLU N N 20 119.997 119.997 118.824 1.173 18018 4258 1 9 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.259 0.070 18018 4259 1 9 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.140 -0.762 18018 4260 1 9 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.616 -0.739 18018 4261 1 9 . 1 1 20 20 GLU H H 20 8.377 8.377 8.330 0.047 18018 4262 1 9 . 1 1 21 21 LEU N N 21 122.484 122.484 118.978 3.506 18018 4263 1 9 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.300 -0.137 18018 4264 1 9 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.889 -0.764 18018 4265 1 9 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.776 -0.746 18018 4266 1 9 . 1 1 21 21 LEU H H 21 8.117 8.117 7.613 0.504 18018 4267 1 9 . 1 1 22 22 ASN N N 22 117.879 117.879 118.235 -0.356 18018 4268 1 9 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.350 0.342 18018 4269 1 9 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.123 0.215 18018 4270 1 9 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.342 2.796 18018 4271 1 9 . 1 1 22 22 ASN H H 22 8.507 8.507 8.023 0.484 18018 4272 1 9 . 1 1 23 23 PHE N N 23 121.096 121.096 119.328 1.768 18018 4273 1 9 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.129 0.334 18018 4274 1 9 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.591 -1.352 18018 4275 1 9 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.814 -0.782 18018 4276 1 9 . 1 1 23 23 PHE H H 23 8.465 8.465 8.143 0.322 18018 4277 1 9 . 1 1 24 24 LYS N N 24 120.580 120.580 118.756 1.824 18018 4278 1 9 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.059 0.112 18018 4279 1 9 . 1 1 24 24 LYS C C 24 179.309 179.309 178.696 0.613 18018 4280 1 9 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.745 0.296 18018 4281 1 9 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.564 -0.177 18018 4282 1 9 . 1 1 24 24 LYS H H 24 8.427 8.427 7.658 0.769 18018 4283 1 9 . 1 1 25 25 ALA N N 25 123.682 123.682 122.612 1.070 18018 4284 1 9 . 1 1 25 25 ALA HA H 25 4.121 4.121 3.997 0.124 18018 4285 1 9 . 1 1 25 25 ALA C C 25 178.243 178.243 179.690 -1.447 18018 4286 1 9 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.261 -0.796 18018 4287 1 9 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.331 -0.632 18018 4288 1 9 . 1 1 25 25 ALA H H 25 8.768 8.768 8.510 0.258 18018 4289 1 9 . 1 1 26 26 GLU N N 26 122.051 122.051 116.713 5.338 18018 4290 1 9 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.107 -0.086 18018 4291 1 9 . 1 1 26 26 GLU C C 26 177.265 177.265 178.277 -1.012 18018 4292 1 9 . 1 1 26 26 GLU CA C 26 58.461 58.461 58.310 0.151 18018 4293 1 9 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.220 -0.458 18018 4294 1 9 . 1 1 26 26 GLU H H 26 8.532 8.532 8.181 0.351 18018 4295 1 9 . 1 1 27 27 ALA N N 27 122.124 122.124 119.334 2.790 18018 4296 1 9 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.334 -0.009 18018 4297 1 9 . 1 1 27 27 ALA C C 27 180.552 180.552 178.483 2.069 18018 4298 1 9 . 1 1 27 27 ALA CA C 27 54.169 54.169 53.203 0.966 18018 4299 1 9 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.805 -1.696 18018 4300 1 9 . 1 1 27 27 ALA H H 27 8.048 8.048 7.301 0.747 18018 4301 1 9 . 1 1 28 28 ARG N N 28 120.501 120.501 117.893 2.608 18018 4302 1 9 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.584 -0.172 18018 4303 1 9 . 1 1 28 28 ARG C C 28 176.309 176.309 178.247 -1.938 18018 4304 1 9 . 1 1 28 28 ARG CA C 28 55.969 55.969 57.117 -1.148 18018 4305 1 9 . 1 1 28 28 ARG CB C 28 26.915 26.915 31.217 -4.302 18018 4306 1 9 . 1 1 28 28 ARG H H 28 8.046 8.046 7.973 0.073 18018 4307 1 9 . 1 1 29 29 ARG N N 29 122.842 122.842 119.419 3.423 18018 4308 1 9 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.012 -0.314 18018 4309 1 9 . 1 1 29 29 ARG CA C 29 59.416 59.416 60.012 -0.596 18018 4310 1 9 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.725 -1.577 18018 4311 1 9 . 1 1 29 29 ARG H H 29 8.908 8.908 8.393 0.515 18018 4312 1 9 . 1 1 30 30 ASN N N 30 120.150 120.150 117.499 2.651 18018 4313 1 9 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.350 0.284 18018 4314 1 9 . 1 1 30 30 ASN C C 30 175.888 175.888 177.146 -1.258 18018 4315 1 9 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.565 -1.158 18018 4316 1 9 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.939 -2.004 18018 4317 1 9 . 1 1 30 30 ASN H H 30 8.402 8.402 8.097 0.305 18018 4318 1 9 . 1 1 31 31 ARG N N 31 123.400 123.400 120.040 3.360 18018 4319 1 9 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.063 0.219 18018 4320 1 9 . 1 1 31 31 ARG C C 31 177.804 177.804 178.423 -0.619 18018 4321 1 9 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.490 -0.541 18018 4322 1 9 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.038 -0.917 18018 4323 1 9 . 1 1 31 31 ARG H H 31 7.996 7.996 8.530 -0.534 18018 4324 1 9 . 1 1 32 32 LEU N N 32 119.872 119.872 118.861 1.011 18018 4325 1 9 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.117 0.174 18018 4326 1 9 . 1 1 32 32 LEU C C 32 180.602 180.602 179.727 0.875 18018 4327 1 9 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.665 -0.419 18018 4328 1 9 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.738 -0.568 18018 4329 1 9 . 1 1 32 32 LEU H H 32 8.742 8.742 7.694 1.048 18018 4330 1 9 . 1 1 33 33 LEU N N 33 124.468 124.468 119.699 4.769 18018 4331 1 9 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.299 0.002 18018 4332 1 9 . 1 1 33 33 LEU C C 33 177.992 177.992 179.143 -1.151 18018 4333 1 9 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.419 -0.404 18018 4334 1 9 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.820 0.419 18018 4335 1 9 . 1 1 33 33 LEU H H 33 9.249 9.249 7.634 1.615 18018 4336 1 9 . 1 1 34 34 GLY N N 34 109.045 109.045 107.982 1.063 18018 4337 1 9 . 1 1 34 34 GLY C C 34 174.530 174.530 175.933 -1.403 18018 4338 1 9 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.612 -0.166 18018 4339 1 9 . 1 1 34 34 GLY H H 34 8.873 8.873 8.971 -0.098 18018 4340 1 9 . 1 1 35 35 GLU N N 35 123.414 123.414 122.367 1.047 18018 4341 1 9 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.209 -0.032 18018 4342 1 9 . 1 1 35 35 GLU C C 35 178.866 178.866 178.906 -0.040 18018 4343 1 9 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.325 0.706 18018 4344 1 9 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.665 -0.702 18018 4345 1 9 . 1 1 35 35 GLU H H 35 8.920 8.920 8.318 0.602 18018 4346 1 9 . 1 1 36 36 TRP N N 36 124.774 124.774 121.904 2.870 18018 4347 1 9 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.311 0.272 18018 4348 1 9 . 1 1 36 36 TRP C C 36 177.618 177.618 177.904 -0.286 18018 4349 1 9 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.777 -1.159 18018 4350 1 9 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.472 -2.878 18018 4351 1 9 . 1 1 36 36 TRP H H 36 8.510 8.510 7.664 0.846 18018 4352 1 9 . 1 1 37 37 ALA N N 37 123.777 123.777 121.343 2.434 18018 4353 1 9 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.139 0.238 18018 4354 1 9 . 1 1 37 37 ALA C C 37 177.427 177.427 178.983 -1.556 18018 4355 1 9 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.548 -0.699 18018 4356 1 9 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.597 1.449 18018 4357 1 9 . 1 1 37 37 ALA H H 37 9.122 9.122 8.427 0.695 18018 4358 1 9 . 1 1 38 38 ALA N N 38 119.259 119.259 120.418 -1.159 18018 4359 1 9 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.453 0.041 18018 4360 1 9 . 1 1 38 38 ALA C C 38 178.670 178.670 179.274 -0.604 18018 4361 1 9 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.950 -0.507 18018 4362 1 9 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.114 -0.425 18018 4363 1 9 . 1 1 38 38 ALA H H 38 8.772 8.772 8.193 0.579 18018 4364 1 9 . 1 1 39 39 GLY N N 39 104.027 104.027 104.921 -0.894 18018 4365 1 9 . 1 1 39 39 GLY C C 39 177.232 177.232 176.244 0.988 18018 4366 1 9 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.532 -0.110 18018 4367 1 9 . 1 1 39 39 GLY H H 39 7.733 7.733 7.911 -0.178 18018 4368 1 9 . 1 1 40 40 LEU N N 40 125.448 125.448 122.084 3.364 18018 4369 1 9 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.955 0.130 18018 4370 1 9 . 1 1 40 40 LEU C C 40 178.203 178.203 178.165 0.038 18018 4371 1 9 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.551 0.167 18018 4372 1 9 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.770 -0.431 18018 4373 1 9 . 1 1 40 40 LEU H H 40 7.492 7.492 7.197 0.295 18018 4374 1 9 . 1 1 41 41 LEU N N 41 117.234 117.234 116.420 0.814 18018 4375 1 9 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.866 0.241 18018 4376 1 9 . 1 1 41 41 LEU C C 41 176.119 176.119 177.441 -1.322 18018 4377 1 9 . 1 1 41 41 LEU CA C 41 53.882 53.882 57.031 -3.149 18018 4378 1 9 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.217 -0.564 18018 4379 1 9 . 1 1 41 41 LEU H H 41 7.676 7.676 7.886 -0.210 18018 4380 1 9 . 1 1 42 42 GLY N N 42 109.595 109.595 104.277 5.318 18018 4381 1 9 . 1 1 42 42 GLY C C 42 173.775 173.775 174.129 -0.354 18018 4382 1 9 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.538 0.710 18018 4383 1 9 . 1 1 42 42 GLY H H 42 7.869 7.869 7.891 -0.022 18018 4384 1 9 . 1 1 43 43 LYS N N 43 119.965 119.965 119.973 -0.008 18018 4385 1 9 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.804 -0.092 18018 4386 1 9 . 1 1 43 43 LYS C C 43 175.246 175.246 175.163 0.083 18018 4387 1 9 . 1 1 43 43 LYS CA C 43 54.770 54.770 54.296 0.474 18018 4388 1 9 . 1 1 43 43 LYS CB C 43 33.771 33.771 35.242 -1.471 18018 4389 1 9 . 1 1 43 43 LYS H H 43 8.079 8.079 8.258 -0.179 18018 4390 1 9 . 1 1 44 44 THR N N 44 114.199 114.199 109.210 4.989 18018 4391 1 9 . 1 1 44 44 THR HA H 44 4.749 4.749 4.467 0.282 18018 4392 1 9 . 1 1 44 44 THR C C 44 174.392 174.392 174.668 -0.276 18018 4393 1 9 . 1 1 44 44 THR CA C 44 58.992 58.992 60.596 -1.604 18018 4394 1 9 . 1 1 44 44 THR CB C 44 71.762 71.762 71.683 0.079 18018 4395 1 9 . 1 1 44 44 THR H H 44 8.934 8.934 8.005 0.929 18018 4396 1 9 . 1 1 45 45 GLY N N 45 109.657 109.657 109.564 0.093 18018 4397 1 9 . 1 1 45 45 GLY C C 45 175.330 175.330 174.269 1.061 18018 4398 1 9 . 1 1 45 45 GLY CA C 45 46.145 46.145 47.104 -0.959 18018 4399 1 9 . 1 1 45 45 GLY H H 45 8.862 8.862 8.526 0.336 18018 4400 1 9 . 1 1 46 46 ASP N N 46 128.403 128.403 123.605 4.798 18018 4401 1 9 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.969 -0.436 18018 4402 1 9 . 1 1 46 46 ASP C C 46 177.343 177.343 177.146 0.197 18018 4403 1 9 . 1 1 46 46 ASP CA C 46 56.485 56.485 53.887 2.598 18018 4404 1 9 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.037 -2.159 18018 4405 1 9 . 1 1 46 46 ASP H H 46 9.283 9.283 8.243 1.040 18018 4406 1 9 . 1 1 47 47 ASP N N 47 121.367 121.367 122.024 -0.657 18018 4407 1 9 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.418 0.218 18018 4408 1 9 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.571 -1.431 18018 4409 1 9 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.938 -0.962 18018 4410 1 9 . 1 1 47 47 ASP H H 47 8.488 8.488 8.232 0.256 18018 4411 1 9 . 1 1 48 48 ALA N N 48 123.210 123.210 121.385 1.825 18018 4412 1 9 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.959 -0.042 18018 4413 1 9 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.195 -1.148 18018 4414 1 9 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.669 -2.027 18018 4415 1 9 . 1 1 48 48 ALA H H 48 7.235 7.235 7.836 -0.601 18018 4416 1 9 . 1 1 49 49 ARG N N 49 120.088 120.088 118.708 1.380 18018 4417 1 9 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.968 0.140 18018 4418 1 9 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.365 -0.665 18018 4419 1 9 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.057 -0.492 18018 4420 1 9 . 1 1 49 49 ARG H H 49 7.777 7.777 8.121 -0.344 18018 4421 1 9 . 1 1 50 50 ALA N N 50 120.988 120.988 121.831 -0.843 18018 4422 1 9 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.029 0.162 18018 4423 1 9 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.906 -0.823 18018 4424 1 9 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.441 -1.162 18018 4425 1 9 . 1 1 50 50 ALA H H 50 8.350 8.350 8.213 0.137 18018 4426 1 9 . 1 1 51 51 TYR N N 51 119.264 119.264 118.217 1.047 18018 4427 1 9 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.105 0.096 18018 4428 1 9 . 1 1 51 51 TYR C C 51 178.335 178.335 177.776 0.559 18018 4429 1 9 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.194 -0.107 18018 4430 1 9 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.576 -0.736 18018 4431 1 9 . 1 1 51 51 TYR H H 51 8.054 8.054 7.819 0.235 18018 4432 1 9 . 1 1 52 52 ALA N N 52 124.002 124.002 122.047 1.955 18018 4433 1 9 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.084 -0.217 18018 4434 1 9 . 1 1 52 52 ALA C C 52 178.352 178.352 179.353 -1.001 18018 4435 1 9 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.813 0.257 18018 4436 1 9 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.436 -1.601 18018 4437 1 9 . 1 1 52 52 ALA H H 52 8.611 8.611 7.913 0.698 18018 4438 1 9 . 1 1 53 53 LEU N N 53 116.323 116.323 116.339 -0.016 18018 4439 1 9 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.074 0.210 18018 4440 1 9 . 1 1 53 53 LEU C C 53 177.452 177.452 178.515 -1.063 18018 4441 1 9 . 1 1 53 53 LEU CA C 53 55.862 55.862 56.913 -1.051 18018 4442 1 9 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.428 -0.153 18018 4443 1 9 . 1 1 53 53 LEU H H 53 7.591 7.591 7.808 -0.217 18018 4444 1 9 . 1 1 54 54 THR N N 54 110.782 110.782 114.183 -3.401 18018 4445 1 9 . 1 1 54 54 THR HA H 54 4.392 4.392 4.260 0.132 18018 4446 1 9 . 1 1 54 54 THR CA C 54 62.390 62.390 64.366 -1.976 18018 4447 1 9 . 1 1 54 54 THR H H 54 7.947 7.947 7.485 0.462 18018 4448 1 9 . 1 1 55 55 VAL N N 55 123.763 123.763 120.092 3.671 18018 4449 1 9 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.024 -0.142 18018 4450 1 9 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.661 -0.917 18018 4451 1 9 . 1 1 55 55 VAL CB C 55 29.871 29.871 32.080 -2.209 18018 4452 1 9 . 1 1 55 55 VAL H H 55 7.171 7.171 7.525 -0.354 18018 4453 1 9 . 1 1 56 56 VAL N N 56 118.917 118.917 120.996 -2.079 18018 4454 1 9 . 1 1 56 56 VAL HA H 56 4.390 4.390 3.955 0.435 18018 4455 1 9 . 1 1 56 56 VAL CA C 56 60.780 60.780 63.634 -2.854 18018 4456 1 9 . 1 1 56 56 VAL CB C 56 33.490 33.490 28.559 4.931 18018 4457 1 9 . 1 1 56 56 VAL H H 56 7.409 7.409 7.914 -0.505 18018 4458 1 9 . 1 1 57 57 THR N N 57 115.599 115.599 116.492 -0.893 18018 4459 1 9 . 1 1 57 57 THR HA H 57 4.532 4.532 4.639 -0.107 18018 4460 1 9 . 1 1 57 57 THR CA C 57 60.614 60.614 62.560 -1.946 18018 4461 1 9 . 1 1 57 57 THR CB C 57 68.892 68.892 69.624 -0.732 18018 4462 1 9 . 1 1 57 57 THR H H 57 7.916 7.916 8.735 -0.819 18018 4463 1 9 . 1 1 58 58 SER N N 58 120.007 120.007 120.135 -0.128 18018 4464 1 9 . 1 1 58 58 SER HA H 58 4.547 4.547 4.447 0.100 18018 4465 1 9 . 1 1 58 58 SER CA C 58 57.770 57.770 60.761 -2.991 18018 4466 1 9 . 1 1 58 58 SER CB C 58 63.162 63.162 62.460 0.702 18018 4467 1 9 . 1 1 58 58 SER H H 58 8.580 8.580 8.062 0.518 18018 4468 1 9 . 1 1 59 59 ASP N N 59 122.731 122.731 122.805 -0.074 18018 4469 1 9 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.781 -0.091 18018 4470 1 9 . 1 1 59 59 ASP CA C 59 53.456 53.456 55.375 -1.919 18018 4471 1 9 . 1 1 59 59 ASP CB C 59 40.748 40.748 42.676 -1.928 18018 4472 1 9 . 1 1 59 59 ASP H H 59 8.399 8.399 8.242 0.157 18018 4473 1 9 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.936 -0.768 18018 4474 1 9 . 1 1 60 60 PHE CA C 60 60.054 60.054 57.241 2.813 18018 4475 1 9 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.243 -4.430 18018 4476 1 9 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.409 0.187 18018 4477 1 9 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.594 -0.646 18018 4478 1 9 . 1 1 63 63 PRO CB C 63 31.527 31.527 30.446 1.081 18018 4479 1 9 . 1 1 64 64 GLY N N 64 110.688 110.688 115.316 -4.628 18018 4480 1 9 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.250 -0.580 18018 4481 1 9 . 1 1 64 64 GLY H H 64 8.725 8.725 8.287 0.438 18018 4482 1 9 . 1 1 65 65 ASP N N 65 122.028 122.028 121.059 0.969 18018 4483 1 9 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.270 0.393 18018 4484 1 9 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.075 -0.310 18018 4485 1 9 . 1 1 65 65 ASP CB C 65 40.462 40.462 39.823 0.639 18018 4486 1 9 . 1 1 65 65 ASP H H 65 8.649 8.649 8.323 0.326 18018 4487 1 9 . 1 1 67 67 ASP N N 67 120.095 120.095 118.290 1.805 18018 4488 1 9 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.517 0.064 18018 4489 1 9 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.979 -0.426 18018 4490 1 9 . 1 1 67 67 ASP CB C 67 39.871 39.871 41.186 -1.315 18018 4491 1 9 . 1 1 67 67 ASP H H 67 8.181 8.181 8.490 -0.309 18018 4492 1 9 . 1 1 68 68 VAL N N 68 123.206 123.206 119.506 3.700 18018 4493 1 9 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.672 0.145 18018 4494 1 9 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.185 0.530 18018 4495 1 9 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.552 -0.127 18018 4496 1 9 . 1 1 68 68 VAL H H 68 8.014 8.014 7.556 0.458 18018 4497 1 9 . 1 1 69 69 PHE N N 69 120.318 120.318 120.665 -0.347 18018 4498 1 9 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.221 -0.099 18018 4499 1 9 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.329 0.413 18018 4500 1 9 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.090 -0.849 18018 4501 1 9 . 1 1 69 69 PHE H H 69 8.501 8.501 7.509 0.992 18018 4502 1 9 . 1 1 70 70 ARG N N 70 117.820 117.820 119.749 -1.929 18018 4503 1 9 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.670 0.042 18018 4504 1 9 . 1 1 70 70 ARG C C 70 178.813 178.813 178.617 0.196 18018 4505 1 9 . 1 1 70 70 ARG CA C 70 58.846 58.846 58.774 0.072 18018 4506 1 9 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.616 0.166 18018 4507 1 9 . 1 1 70 70 ARG H H 70 8.598 8.598 7.975 0.623 18018 4508 1 9 . 1 1 71 71 LYS N N 71 121.726 121.726 118.418 3.308 18018 4509 1 9 . 1 1 71 71 LYS HA H 71 4.223 4.223 3.984 0.239 18018 4510 1 9 . 1 1 71 71 LYS C C 71 177.020 177.020 178.307 -1.287 18018 4511 1 9 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.493 -1.003 18018 4512 1 9 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.189 -0.303 18018 4513 1 9 . 1 1 71 71 LYS H H 71 7.658 7.658 8.152 -0.494 18018 4514 1 9 . 1 1 72 72 LEU N N 72 119.355 119.355 118.297 1.058 18018 4515 1 9 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.197 -0.172 18018 4516 1 9 . 1 1 72 72 LEU C C 72 177.378 177.378 178.574 -1.196 18018 4517 1 9 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.351 -0.365 18018 4518 1 9 . 1 1 72 72 LEU CB C 72 41.846 41.846 42.108 -0.261 18018 4519 1 9 . 1 1 72 72 LEU H H 72 8.173 8.173 7.629 0.544 18018 4520 1 9 . 1 1 73 73 ALA N N 73 121.169 121.169 121.355 -0.186 18018 4521 1 9 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.976 -0.244 18018 4522 1 9 . 1 1 73 73 ALA C C 73 179.644 179.644 178.217 1.427 18018 4523 1 9 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.277 -0.453 18018 4524 1 9 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.316 -1.780 18018 4525 1 9 . 1 1 73 73 ALA H H 73 9.151 9.151 8.088 1.063 18018 4526 1 9 . 1 1 74 74 ALA N N 74 119.383 119.383 115.609 3.774 18018 4527 1 9 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.223 0.140 18018 4528 1 9 . 1 1 74 74 ALA C C 74 179.752 179.752 177.077 2.675 18018 4529 1 9 . 1 1 74 74 ALA CA C 74 53.524 53.524 52.586 0.938 18018 4530 1 9 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.373 -0.729 18018 4531 1 9 . 1 1 74 74 ALA H H 74 7.379 7.379 7.500 -0.121 18018 4532 1 9 . 1 1 75 75 ASP N N 75 120.226 120.226 119.210 1.016 18018 4533 1 9 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.774 -0.279 18018 4534 1 9 . 1 1 75 75 ASP C C 75 177.704 177.704 177.535 0.169 18018 4535 1 9 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.318 0.669 18018 4536 1 9 . 1 1 75 75 ASP CB C 75 38.944 38.944 43.044 -4.100 18018 4537 1 9 . 1 1 75 75 ASP H H 75 8.474 8.474 7.662 0.812 18018 4538 1 9 . 1 1 76 76 LEU N N 76 115.468 115.468 120.949 -5.481 18018 4539 1 9 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.382 0.010 18018 4540 1 9 . 1 1 76 76 LEU C C 76 174.790 174.790 175.903 -1.113 18018 4541 1 9 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.366 -0.742 18018 4542 1 9 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.439 0.760 18018 4543 1 9 . 1 1 76 76 LEU H H 76 8.599 8.599 8.048 0.551 18018 4544 1 9 . 1 1 77 77 GLU N N 77 124.833 124.833 121.493 3.340 18018 4545 1 9 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.025 0.315 18018 4546 1 9 . 1 1 77 77 GLU C C 77 176.953 176.953 177.592 -0.639 18018 4547 1 9 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.577 0.734 18018 4548 1 9 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.777 -0.162 18018 4549 1 9 . 1 1 77 77 GLU H H 77 7.115 7.115 7.288 -0.173 18018 4550 1 9 . 1 1 78 78 GLY N N 78 118.193 118.193 114.795 3.398 18018 4551 1 9 . 1 1 78 78 GLY C C 78 173.075 173.075 174.743 -1.668 18018 4552 1 9 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.300 -0.195 18018 4553 1 9 . 1 1 78 78 GLY H H 78 9.371 9.371 8.588 0.783 18018 4554 1 9 . 1 1 79 79 LYS N N 79 120.237 120.237 118.327 1.910 18018 4555 1 9 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.455 0.176 18018 4556 1 9 . 1 1 79 79 LYS C C 79 175.050 175.050 175.317 -0.267 18018 4557 1 9 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.000 -0.775 18018 4558 1 9 . 1 1 79 79 LYS CB C 79 34.062 34.062 35.373 -1.311 18018 4559 1 9 . 1 1 79 79 LYS H H 79 8.799 8.799 8.286 0.513 18018 4560 1 9 . 1 1 80 80 ALA N N 80 121.135 121.135 122.158 -1.023 18018 4561 1 9 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.568 0.296 18018 4562 1 9 . 1 1 80 80 ALA C C 80 174.051 174.051 174.869 -0.818 18018 4563 1 9 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.628 -0.757 18018 4564 1 9 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.815 -0.688 18018 4565 1 9 . 1 1 80 80 ALA H H 80 8.126 8.126 7.812 0.314 18018 4566 1 9 . 1 1 81 81 ASP N N 81 121.569 121.569 123.838 -2.269 18018 4567 1 9 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.827 0.041 18018 4568 1 9 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.173 -2.204 18018 4569 1 9 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.466 -1.180 18018 4570 1 9 . 1 1 81 81 ASP H H 81 8.283 8.283 8.320 -0.037 18018 4571 1 9 . 1 1 82 82 GLU N N 82 120.044 120.044 121.791 -1.747 18018 4572 1 9 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.294 -0.128 18018 4573 1 9 . 1 1 82 82 GLU C C 82 177.350 177.350 178.705 -1.355 18018 4574 1 9 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.801 -0.583 18018 4575 1 9 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.746 -1.121 18018 4576 1 9 . 1 1 82 82 GLU H H 82 8.891 8.891 8.885 0.006 18018 4577 1 9 . 1 1 83 83 GLU N N 83 119.348 119.348 116.770 2.578 18018 4578 1 9 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.146 0.001 18018 4579 1 9 . 1 1 83 83 GLU C C 83 178.794 178.794 177.395 1.399 18018 4580 1 9 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.713 0.369 18018 4581 1 9 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.528 -1.153 18018 4582 1 9 . 1 1 83 83 GLU H H 83 8.827 8.827 8.949 -0.122 18018 4583 1 9 . 1 1 84 84 THR N N 84 119.678 119.678 113.469 6.209 18018 4584 1 9 . 1 1 84 84 THR HA H 84 4.131 4.131 4.444 -0.313 18018 4585 1 9 . 1 1 84 84 THR C C 84 176.165 176.165 176.026 0.139 18018 4586 1 9 . 1 1 84 84 THR CA C 84 66.422 66.422 64.902 1.520 18018 4587 1 9 . 1 1 84 84 THR CB C 84 65.645 65.645 70.357 -4.712 18018 4588 1 9 . 1 1 84 84 THR H H 84 8.552 8.552 7.816 0.736 18018 4589 1 9 . 1 1 85 85 ILE N N 85 123.677 123.677 123.646 0.031 18018 4590 1 9 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.703 0.116 18018 4591 1 9 . 1 1 85 85 ILE C C 85 174.809 174.809 177.675 -2.866 18018 4592 1 9 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.635 -1.052 18018 4593 1 9 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.934 0.556 18018 4594 1 9 . 1 1 85 85 ILE H H 85 8.571 8.571 8.973 -0.402 18018 4595 1 9 . 1 1 86 86 ARG N N 86 119.556 119.556 118.938 0.618 18018 4596 1 9 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.037 0.134 18018 4597 1 9 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.261 0.358 18018 4598 1 9 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.671 -0.813 18018 4599 1 9 . 1 1 86 86 ARG H H 86 9.093 9.093 7.961 1.132 18018 4600 1 9 . 1 1 87 87 ALA N N 87 121.431 121.431 122.741 -1.310 18018 4601 1 9 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.028 0.260 18018 4602 1 9 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.188 -1.033 18018 4603 1 9 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.017 -0.945 18018 4604 1 9 . 1 1 87 87 ALA H H 87 8.206 8.206 7.903 0.303 18018 4605 1 9 . 1 1 88 88 LYS N N 88 122.850 122.850 118.973 3.877 18018 4606 1 9 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.788 0.194 18018 4607 1 9 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.584 -2.711 18018 4608 1 9 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.488 -1.665 18018 4609 1 9 . 1 1 88 88 LYS H H 88 8.145 8.145 8.226 -0.081 18018 4610 1 9 . 1 1 89 89 MET N N 89 118.786 118.786 118.760 0.026 18018 4611 1 9 . 1 1 89 89 MET HA H 89 3.810 3.810 4.071 -0.261 18018 4612 1 9 . 1 1 89 89 MET CA C 89 60.096 60.096 58.861 1.235 18018 4613 1 9 . 1 1 89 89 MET CB C 89 32.329 32.329 32.473 -0.144 18018 4614 1 9 . 1 1 89 89 MET H H 89 8.468 8.468 8.147 0.321 18018 4615 1 9 . 1 1 90 90 VAL N N 90 120.770 120.770 120.755 0.015 18018 4616 1 9 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.663 0.164 18018 4617 1 9 . 1 1 90 90 VAL C C 90 178.017 178.017 178.024 -0.007 18018 4618 1 9 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.746 -1.121 18018 4619 1 9 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.333 0.406 18018 4620 1 9 . 1 1 90 90 VAL H H 90 7.504 7.504 7.823 -0.319 18018 4621 1 9 . 1 1 91 91 GLU N N 91 124.409 124.409 120.195 4.214 18018 4622 1 9 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.055 -0.267 18018 4623 1 9 . 1 1 91 91 GLU C C 91 177.612 177.612 177.535 0.077 18018 4624 1 9 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.956 -0.542 18018 4625 1 9 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.440 2.004 18018 4626 1 9 . 1 1 91 91 GLU H H 91 8.486 8.486 8.293 0.193 18018 4627 1 9 . 1 1 92 92 LEU N N 92 114.680 114.680 117.286 -2.606 18018 4628 1 9 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.463 -0.073 18018 4629 1 9 . 1 1 92 92 LEU C C 92 177.928 177.928 178.161 -0.233 18018 4630 1 9 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.915 0.719 18018 4631 1 9 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.566 -2.225 18018 4632 1 9 . 1 1 92 92 LEU H H 92 8.823 8.823 7.525 1.298 18018 4633 1 9 . 1 1 93 93 ARG N N 93 123.603 123.603 121.955 1.648 18018 4634 1 9 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.083 -0.140 18018 4635 1 9 . 1 1 93 93 ARG C C 93 176.350 176.350 177.875 -1.525 18018 4636 1 9 . 1 1 93 93 ARG CA C 93 59.581 59.581 59.187 0.394 18018 4637 1 9 . 1 1 93 93 ARG CB C 93 28.903 28.903 30.015 -1.112 18018 4638 1 9 . 1 1 93 93 ARG H H 93 7.690 7.690 8.352 -0.662 18018 4639 1 9 . 1 1 94 94 ALA N N 94 122.480 122.480 118.229 4.251 18018 4640 1 9 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.344 -0.083 18018 4641 1 9 . 1 1 94 94 ALA C C 94 179.805 179.805 178.807 0.998 18018 4642 1 9 . 1 1 94 94 ALA CA C 94 54.529 54.529 53.991 0.538 18018 4643 1 9 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.056 -1.120 18018 4644 1 9 . 1 1 94 94 ALA H H 94 7.269 7.269 7.655 -0.386 18018 4645 1 9 . 1 1 95 95 THR N N 95 116.936 116.936 114.402 2.534 18018 4646 1 9 . 1 1 95 95 THR HA H 95 4.045 4.045 4.296 -0.251 18018 4647 1 9 . 1 1 95 95 THR C C 95 175.007 175.007 176.198 -1.191 18018 4648 1 9 . 1 1 95 95 THR CA C 95 65.569 65.569 65.060 0.509 18018 4649 1 9 . 1 1 95 95 THR CB C 95 68.334 68.334 69.489 -1.155 18018 4650 1 9 . 1 1 95 95 THR H H 95 8.282 8.282 7.648 0.634 18018 4651 1 9 . 1 1 96 96 ALA N N 96 124.095 124.095 124.029 0.066 18018 4652 1 9 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.037 -0.175 18018 4653 1 9 . 1 1 96 96 ALA C C 96 178.184 178.184 179.247 -1.063 18018 4654 1 9 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.613 0.136 18018 4655 1 9 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.402 0.368 18018 4656 1 9 . 1 1 96 96 ALA H H 96 8.681 8.681 8.068 0.613 18018 4657 1 9 . 1 1 97 97 ARG N N 97 117.328 117.328 117.956 -0.628 18018 4658 1 9 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.903 -0.117 18018 4659 1 9 . 1 1 97 97 ARG C C 97 176.770 176.770 179.135 -2.365 18018 4660 1 9 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.722 -0.161 18018 4661 1 9 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.825 -0.209 18018 4662 1 9 . 1 1 97 97 ARG H H 97 8.070 8.070 7.587 0.483 18018 4663 1 9 . 1 1 98 98 GLU N N 98 118.245 118.245 119.259 -1.014 18018 4664 1 9 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.079 0.036 18018 4665 1 9 . 1 1 98 98 GLU C C 98 178.865 178.865 179.045 -0.180 18018 4666 1 9 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.929 -0.440 18018 4667 1 9 . 1 1 98 98 GLU CB C 98 28.512 28.512 28.668 -0.156 18018 4668 1 9 . 1 1 98 98 GLU H H 98 7.855 7.855 8.065 -0.210 18018 4669 1 9 . 1 1 99 99 GLN N N 99 119.735 119.735 118.453 1.282 18018 4670 1 9 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.022 0.149 18018 4671 1 9 . 1 1 99 99 GLN C C 99 178.146 178.146 178.413 -0.267 18018 4672 1 9 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.284 -0.039 18018 4673 1 9 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.453 -1.359 18018 4674 1 9 . 1 1 99 99 GLN H H 99 8.312 8.312 7.875 0.437 18018 4675 1 9 . 1 1 100 100 ILE N N 100 119.864 119.864 119.814 0.050 18018 4676 1 9 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.689 0.261 18018 4677 1 9 . 1 1 100 100 ILE C C 100 178.315 178.315 178.462 -0.147 18018 4678 1 9 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.977 -2.373 18018 4679 1 9 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.837 -1.341 18018 4680 1 9 . 1 1 100 100 ILE H H 100 8.445 8.445 7.707 0.738 18018 4681 1 9 . 1 1 101 101 ILE N N 101 120.514 120.514 119.469 1.045 18018 4682 1 9 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.779 0.233 18018 4683 1 9 . 1 1 101 101 ILE C C 101 177.006 177.006 178.554 -1.548 18018 4684 1 9 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.333 0.644 18018 4685 1 9 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.260 0.401 18018 4686 1 9 . 1 1 101 101 ILE H H 101 8.329 8.329 7.676 0.653 18018 4687 1 9 . 1 1 102 102 SER N N 102 116.172 116.172 115.537 0.635 18018 4688 1 9 . 1 1 102 102 SER HA H 102 4.562 4.562 4.275 0.287 18018 4689 1 9 . 1 1 102 102 SER C C 102 173.845 173.845 175.631 -1.786 18018 4690 1 9 . 1 1 102 102 SER CA C 102 59.502 59.502 60.911 -1.409 18018 4691 1 9 . 1 1 102 102 SER CB C 102 63.012 63.012 62.974 0.038 18018 4692 1 9 . 1 1 102 102 SER H H 102 7.882 7.882 7.837 0.045 18018 4693 1 9 . 1 1 103 103 GLU N N 103 122.642 122.642 119.991 2.651 18018 4694 1 9 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.307 0.133 18018 4695 1 9 . 1 1 103 103 GLU C C 103 175.095 175.095 176.569 -1.474 18018 4696 1 9 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.451 -0.823 18018 4697 1 9 . 1 1 103 103 GLU CB C 103 29.813 29.813 29.755 0.058 18018 4698 1 9 . 1 1 103 103 GLU H H 103 7.735 7.735 7.594 0.141 18018 4699 1 10 . 1 1 4 4 PHE N N 4 122.548 122.548 122.739 -0.191 18018 4700 1 10 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.701 -0.018 18018 4701 1 10 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.998 -0.391 18018 4702 1 10 . 1 1 4 4 PHE CB C 4 38.895 38.895 40.163 -1.268 18018 4703 1 10 . 1 1 4 4 PHE H H 4 8.328 8.328 8.662 -0.334 18018 4704 1 10 . 1 1 7 7 ARG N N 7 121.962 121.962 117.041 4.921 18018 4705 1 10 . 1 1 7 7 ARG HA H 7 4.256 4.256 3.820 0.436 18018 4706 1 10 . 1 1 7 7 ARG C C 7 176.683 176.683 175.506 1.177 18018 4707 1 10 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.874 -0.787 18018 4708 1 10 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.408 -0.046 18018 4709 1 10 . 1 1 7 7 ARG H H 7 8.321 8.321 8.079 0.242 18018 4710 1 10 . 1 1 8 8 GLU N N 8 121.095 121.095 120.090 1.005 18018 4711 1 10 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.224 0.027 18018 4712 1 10 . 1 1 8 8 GLU C C 8 176.964 176.964 177.098 -0.134 18018 4713 1 10 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.693 -0.760 18018 4714 1 10 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.199 -0.344 18018 4715 1 10 . 1 1 8 8 GLU H H 8 8.388 8.388 8.115 0.273 18018 4716 1 10 . 1 1 9 9 ARG N N 9 121.310 121.310 121.374 -0.064 18018 4717 1 10 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.941 0.399 18018 4718 1 10 . 1 1 9 9 ARG C C 9 176.563 176.563 175.378 1.185 18018 4719 1 10 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.495 -1.081 18018 4720 1 10 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.166 1.503 18018 4721 1 10 . 1 1 9 9 ARG H H 9 8.268 8.268 9.125 -0.857 18018 4722 1 10 . 1 1 10 10 ALA N N 10 124.224 124.224 118.540 5.684 18018 4723 1 10 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.530 -0.212 18018 4724 1 10 . 1 1 10 10 ALA C C 10 178.129 178.129 176.931 1.198 18018 4725 1 10 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.849 0.098 18018 4726 1 10 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.801 -2.045 18018 4727 1 10 . 1 1 10 10 ALA H H 10 8.222 8.222 8.158 0.064 18018 4728 1 10 . 1 1 11 11 HIS N N 11 118.081 118.081 117.102 0.979 18018 4729 1 10 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.886 -0.187 18018 4730 1 10 . 1 1 11 11 HIS C C 11 175.013 175.013 176.726 -1.713 18018 4731 1 10 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.356 -0.101 18018 4732 1 10 . 1 1 11 11 HIS CB C 11 28.767 28.767 30.549 -1.782 18018 4733 1 10 . 1 1 11 11 HIS H H 11 8.486 8.486 8.022 0.464 18018 4734 1 10 . 1 1 12 12 GLU N N 12 121.492 121.492 120.487 1.005 18018 4735 1 10 . 1 1 12 12 GLU HA H 12 4.278 4.278 3.945 0.333 18018 4736 1 10 . 1 1 12 12 GLU C C 12 176.808 176.808 177.263 -0.455 18018 4737 1 10 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.135 -0.514 18018 4738 1 10 . 1 1 12 12 GLU CB C 12 28.853 28.853 28.965 -0.112 18018 4739 1 10 . 1 1 12 12 GLU H H 12 8.370 8.370 8.013 0.357 18018 4740 1 10 . 1 1 13 13 ALA N N 13 123.583 123.583 122.465 1.118 18018 4741 1 10 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.327 -0.023 18018 4742 1 10 . 1 1 13 13 ALA C C 13 178.197 178.197 178.661 -0.464 18018 4743 1 10 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.880 0.170 18018 4744 1 10 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.297 -1.509 18018 4745 1 10 . 1 1 13 13 ALA H H 13 8.426 8.426 8.363 0.063 18018 4746 1 10 . 1 1 14 14 LYS N N 14 119.772 119.772 118.558 1.214 18018 4747 1 10 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.852 0.366 18018 4748 1 10 . 1 1 14 14 LYS C C 14 176.757 176.757 177.403 -0.646 18018 4749 1 10 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.603 -1.493 18018 4750 1 10 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.670 0.073 18018 4751 1 10 . 1 1 14 14 LYS H H 14 8.073 8.073 8.525 -0.452 18018 4752 1 10 . 1 1 15 15 PHE N N 15 118.073 118.073 115.342 2.731 18018 4753 1 10 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.729 -0.285 18018 4754 1 10 . 1 1 15 15 PHE C C 15 175.635 175.635 177.916 -2.281 18018 4755 1 10 . 1 1 15 15 PHE CA C 15 59.001 59.001 59.020 -0.020 18018 4756 1 10 . 1 1 15 15 PHE CB C 15 38.491 38.491 39.513 -1.022 18018 4757 1 10 . 1 1 15 15 PHE H H 15 7.926 7.926 7.648 0.278 18018 4758 1 10 . 1 1 16 16 ALA N N 16 122.453 122.453 122.814 -0.361 18018 4759 1 10 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.081 0.225 18018 4760 1 10 . 1 1 16 16 ALA C C 16 177.641 177.641 178.792 -1.151 18018 4761 1 10 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.467 -1.415 18018 4762 1 10 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.310 -0.289 18018 4763 1 10 . 1 1 16 16 ALA H H 16 8.137 8.137 8.164 -0.027 18018 4764 1 10 . 1 1 17 17 HIS N N 17 115.587 115.587 115.280 0.307 18018 4765 1 10 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.404 0.421 18018 4766 1 10 . 1 1 17 17 HIS CA C 17 55.095 55.095 57.596 -2.501 18018 4767 1 10 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.025 -1.067 18018 4768 1 10 . 1 1 17 17 HIS H H 17 8.051 8.051 8.145 -0.094 18018 4769 1 10 . 1 1 18 18 ASP N N 18 121.432 121.432 118.085 3.347 18018 4770 1 10 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.409 0.381 18018 4771 1 10 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.636 -2.054 18018 4772 1 10 . 1 1 18 18 ASP CB C 18 40.787 40.787 39.698 1.089 18018 4773 1 10 . 1 1 18 18 ASP H H 18 7.913 7.913 7.806 0.107 18018 4774 1 10 . 1 1 19 19 ALA N N 19 126.983 126.983 122.974 4.009 18018 4775 1 10 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.787 0.509 18018 4776 1 10 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.817 -0.770 18018 4777 1 10 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.444 0.415 18018 4778 1 10 . 1 1 19 19 ALA H H 19 8.599 8.599 8.594 0.005 18018 4779 1 10 . 1 1 20 20 GLU N N 20 119.997 119.997 119.722 0.275 18018 4780 1 10 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.007 0.322 18018 4781 1 10 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.158 -0.780 18018 4782 1 10 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.465 -0.588 18018 4783 1 10 . 1 1 20 20 GLU H H 20 8.377 8.377 8.039 0.338 18018 4784 1 10 . 1 1 21 21 LEU N N 21 122.484 122.484 121.162 1.322 18018 4785 1 10 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.265 -0.102 18018 4786 1 10 . 1 1 21 21 LEU CA C 21 57.125 57.125 59.399 -2.274 18018 4787 1 10 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.955 -0.925 18018 4788 1 10 . 1 1 21 21 LEU H H 21 8.117 8.117 7.714 0.403 18018 4789 1 10 . 1 1 22 22 ASN N N 22 117.879 117.879 117.779 0.100 18018 4790 1 10 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.451 0.241 18018 4791 1 10 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.319 0.020 18018 4792 1 10 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.566 2.572 18018 4793 1 10 . 1 1 22 22 ASN H H 22 8.507 8.507 8.218 0.289 18018 4794 1 10 . 1 1 23 23 PHE N N 23 121.096 121.096 122.072 -0.976 18018 4795 1 10 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.222 0.241 18018 4796 1 10 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.157 -0.918 18018 4797 1 10 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.834 -0.802 18018 4798 1 10 . 1 1 23 23 PHE H H 23 8.465 8.465 8.411 0.054 18018 4799 1 10 . 1 1 24 24 LYS N N 24 120.580 120.580 118.933 1.647 18018 4800 1 10 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.931 0.240 18018 4801 1 10 . 1 1 24 24 LYS C C 24 179.309 179.309 178.961 0.348 18018 4802 1 10 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.614 -0.573 18018 4803 1 10 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.174 0.213 18018 4804 1 10 . 1 1 24 24 LYS H H 24 8.427 8.427 7.867 0.560 18018 4805 1 10 . 1 1 25 25 ALA N N 25 123.682 123.682 121.954 1.728 18018 4806 1 10 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.098 0.023 18018 4807 1 10 . 1 1 25 25 ALA C C 25 178.243 178.243 179.726 -1.483 18018 4808 1 10 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.111 -0.646 18018 4809 1 10 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.302 -0.603 18018 4810 1 10 . 1 1 25 25 ALA H H 25 8.768 8.768 8.715 0.053 18018 4811 1 10 . 1 1 26 26 GLU N N 26 122.051 122.051 119.299 2.752 18018 4812 1 10 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.931 0.090 18018 4813 1 10 . 1 1 26 26 GLU C C 26 177.265 177.265 178.656 -1.391 18018 4814 1 10 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.657 -1.196 18018 4815 1 10 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.452 -0.690 18018 4816 1 10 . 1 1 26 26 GLU H H 26 8.532 8.532 8.374 0.158 18018 4817 1 10 . 1 1 27 27 ALA N N 27 122.124 122.124 121.855 0.269 18018 4818 1 10 . 1 1 27 27 ALA HA H 27 4.325 4.325 3.913 0.412 18018 4819 1 10 . 1 1 27 27 ALA C C 27 180.552 180.552 179.863 0.689 18018 4820 1 10 . 1 1 27 27 ALA CA C 27 54.169 54.169 55.205 -1.036 18018 4821 1 10 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.418 -1.309 18018 4822 1 10 . 1 1 27 27 ALA H H 27 8.048 8.048 7.501 0.547 18018 4823 1 10 . 1 1 28 28 ARG N N 28 120.501 120.501 118.735 1.766 18018 4824 1 10 . 1 1 28 28 ARG HA H 28 4.412 4.412 3.994 0.418 18018 4825 1 10 . 1 1 28 28 ARG C C 28 176.309 176.309 178.847 -2.538 18018 4826 1 10 . 1 1 28 28 ARG CA C 28 55.969 55.969 59.108 -3.139 18018 4827 1 10 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.957 -3.042 18018 4828 1 10 . 1 1 28 28 ARG H H 28 8.046 8.046 8.332 -0.286 18018 4829 1 10 . 1 1 29 29 ARG N N 29 122.842 122.842 118.250 4.592 18018 4830 1 10 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.009 -0.311 18018 4831 1 10 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.426 -0.010 18018 4832 1 10 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.427 -1.279 18018 4833 1 10 . 1 1 29 29 ARG H H 29 8.908 8.908 8.624 0.284 18018 4834 1 10 . 1 1 30 30 ASN N N 30 120.150 120.150 118.794 1.356 18018 4835 1 10 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.565 0.069 18018 4836 1 10 . 1 1 30 30 ASN C C 30 175.888 175.888 177.570 -1.682 18018 4837 1 10 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.166 -0.759 18018 4838 1 10 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.345 -2.410 18018 4839 1 10 . 1 1 30 30 ASN H H 30 8.402 8.402 7.660 0.742 18018 4840 1 10 . 1 1 31 31 ARG N N 31 123.400 123.400 121.418 1.982 18018 4841 1 10 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.041 0.241 18018 4842 1 10 . 1 1 31 31 ARG C C 31 177.804 177.804 178.779 -0.975 18018 4843 1 10 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.452 -0.502 18018 4844 1 10 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.242 -1.121 18018 4845 1 10 . 1 1 31 31 ARG H H 31 7.996 7.996 8.157 -0.161 18018 4846 1 10 . 1 1 32 32 LEU N N 32 119.872 119.872 120.559 -0.687 18018 4847 1 10 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.080 0.211 18018 4848 1 10 . 1 1 32 32 LEU C C 32 180.602 180.602 179.238 1.364 18018 4849 1 10 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.799 -1.553 18018 4850 1 10 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.562 -0.393 18018 4851 1 10 . 1 1 32 32 LEU H H 32 8.742 8.742 8.369 0.373 18018 4852 1 10 . 1 1 33 33 LEU N N 33 124.468 124.468 118.445 6.023 18018 4853 1 10 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.238 0.063 18018 4854 1 10 . 1 1 33 33 LEU C C 33 177.992 177.992 179.232 -1.240 18018 4855 1 10 . 1 1 33 33 LEU CA C 33 57.015 57.015 58.120 -1.105 18018 4856 1 10 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.692 0.547 18018 4857 1 10 . 1 1 33 33 LEU H H 33 9.249 9.249 7.633 1.616 18018 4858 1 10 . 1 1 34 34 GLY N N 34 109.045 109.045 108.261 0.784 18018 4859 1 10 . 1 1 34 34 GLY C C 34 174.530 174.530 175.911 -1.381 18018 4860 1 10 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.458 -0.011 18018 4861 1 10 . 1 1 34 34 GLY H H 34 8.873 8.873 8.449 0.424 18018 4862 1 10 . 1 1 35 35 GLU N N 35 123.414 123.414 120.600 2.814 18018 4863 1 10 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.311 -0.134 18018 4864 1 10 . 1 1 35 35 GLU C C 35 178.866 178.866 177.489 1.377 18018 4865 1 10 . 1 1 35 35 GLU CA C 35 59.031 59.031 57.216 1.815 18018 4866 1 10 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.587 -0.624 18018 4867 1 10 . 1 1 35 35 GLU H H 35 8.920 8.920 8.307 0.613 18018 4868 1 10 . 1 1 36 36 TRP N N 36 124.774 124.774 121.133 3.641 18018 4869 1 10 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.443 0.140 18018 4870 1 10 . 1 1 36 36 TRP C C 36 177.618 177.618 177.375 0.243 18018 4871 1 10 . 1 1 36 36 TRP CA C 36 59.618 59.618 59.719 -0.101 18018 4872 1 10 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.898 -3.304 18018 4873 1 10 . 1 1 36 36 TRP H H 36 8.510 8.510 7.534 0.976 18018 4874 1 10 . 1 1 37 37 ALA N N 37 123.777 123.777 121.697 2.080 18018 4875 1 10 . 1 1 37 37 ALA HA H 37 3.377 3.377 2.851 0.526 18018 4876 1 10 . 1 1 37 37 ALA C C 37 177.427 177.427 178.988 -1.561 18018 4877 1 10 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.422 -0.573 18018 4878 1 10 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.462 1.584 18018 4879 1 10 . 1 1 37 37 ALA H H 37 9.122 9.122 8.313 0.809 18018 4880 1 10 . 1 1 38 38 ALA N N 38 119.259 119.259 120.433 -1.174 18018 4881 1 10 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.550 -0.056 18018 4882 1 10 . 1 1 38 38 ALA C C 38 178.670 178.670 179.071 -0.401 18018 4883 1 10 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.810 -0.367 18018 4884 1 10 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.305 -0.616 18018 4885 1 10 . 1 1 38 38 ALA H H 38 8.772 8.772 8.361 0.411 18018 4886 1 10 . 1 1 39 39 GLY N N 39 104.027 104.027 103.782 0.245 18018 4887 1 10 . 1 1 39 39 GLY C C 39 177.232 177.232 175.320 1.912 18018 4888 1 10 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.849 0.573 18018 4889 1 10 . 1 1 39 39 GLY H H 39 7.733 7.733 7.831 -0.098 18018 4890 1 10 . 1 1 40 40 LEU N N 40 125.448 125.448 119.725 5.723 18018 4891 1 10 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.273 -0.188 18018 4892 1 10 . 1 1 40 40 LEU C C 40 178.203 178.203 177.310 0.893 18018 4893 1 10 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.238 1.480 18018 4894 1 10 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.590 -1.251 18018 4895 1 10 . 1 1 40 40 LEU H H 40 7.492 7.492 7.310 0.182 18018 4896 1 10 . 1 1 41 41 LEU N N 41 117.234 117.234 115.530 1.704 18018 4897 1 10 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.900 0.207 18018 4898 1 10 . 1 1 41 41 LEU C C 41 176.119 176.119 178.069 -1.950 18018 4899 1 10 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.192 -2.310 18018 4900 1 10 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.954 -0.301 18018 4901 1 10 . 1 1 41 41 LEU H H 41 7.676 7.676 7.758 -0.082 18018 4902 1 10 . 1 1 42 42 GLY N N 42 109.595 109.595 103.416 6.179 18018 4903 1 10 . 1 1 42 42 GLY C C 42 173.775 173.775 174.688 -0.913 18018 4904 1 10 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.397 0.851 18018 4905 1 10 . 1 1 42 42 GLY H H 42 7.869 7.869 7.417 0.452 18018 4906 1 10 . 1 1 43 43 LYS N N 43 119.965 119.965 121.251 -1.286 18018 4907 1 10 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.400 0.312 18018 4908 1 10 . 1 1 43 43 LYS C C 43 175.246 175.246 175.765 -0.519 18018 4909 1 10 . 1 1 43 43 LYS CA C 43 54.770 54.770 56.076 -1.306 18018 4910 1 10 . 1 1 43 43 LYS CB C 43 33.771 33.771 32.761 1.010 18018 4911 1 10 . 1 1 43 43 LYS H H 43 8.079 8.079 7.572 0.507 18018 4912 1 10 . 1 1 44 44 THR N N 44 114.199 114.199 108.644 5.555 18018 4913 1 10 . 1 1 44 44 THR HA H 44 4.749 4.749 4.374 0.375 18018 4914 1 10 . 1 1 44 44 THR C C 44 174.392 174.392 174.799 -0.407 18018 4915 1 10 . 1 1 44 44 THR CA C 44 58.992 58.992 60.960 -1.968 18018 4916 1 10 . 1 1 44 44 THR CB C 44 71.762 71.762 71.977 -0.215 18018 4917 1 10 . 1 1 44 44 THR H H 44 8.934 8.934 8.080 0.854 18018 4918 1 10 . 1 1 45 45 GLY N N 45 109.657 109.657 110.653 -0.996 18018 4919 1 10 . 1 1 45 45 GLY C C 45 175.330 175.330 175.034 0.296 18018 4920 1 10 . 1 1 45 45 GLY CA C 45 46.145 46.145 45.431 0.714 18018 4921 1 10 . 1 1 45 45 GLY H H 45 8.862 8.862 8.389 0.473 18018 4922 1 10 . 1 1 46 46 ASP N N 46 128.403 128.403 123.453 4.950 18018 4923 1 10 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.434 0.099 18018 4924 1 10 . 1 1 46 46 ASP C C 46 177.343 177.343 177.770 -0.427 18018 4925 1 10 . 1 1 46 46 ASP CA C 46 56.485 56.485 56.193 0.292 18018 4926 1 10 . 1 1 46 46 ASP CB C 46 39.878 39.878 40.447 -0.570 18018 4927 1 10 . 1 1 46 46 ASP H H 46 9.283 9.283 8.642 0.641 18018 4928 1 10 . 1 1 47 47 ASP N N 47 121.367 121.367 120.875 0.492 18018 4929 1 10 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.423 0.213 18018 4930 1 10 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.651 -1.511 18018 4931 1 10 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.693 -0.717 18018 4932 1 10 . 1 1 47 47 ASP H H 47 8.488 8.488 8.003 0.485 18018 4933 1 10 . 1 1 48 48 ALA N N 48 123.210 123.210 121.715 1.495 18018 4934 1 10 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.982 -0.065 18018 4935 1 10 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.063 -1.016 18018 4936 1 10 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.700 -2.058 18018 4937 1 10 . 1 1 48 48 ALA H H 48 7.235 7.235 7.448 -0.213 18018 4938 1 10 . 1 1 49 49 ARG N N 49 120.088 120.088 118.342 1.746 18018 4939 1 10 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.041 0.067 18018 4940 1 10 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.055 -0.355 18018 4941 1 10 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.288 -0.723 18018 4942 1 10 . 1 1 49 49 ARG H H 49 7.777 7.777 7.464 0.313 18018 4943 1 10 . 1 1 50 50 ALA N N 50 120.988 120.988 122.444 -1.456 18018 4944 1 10 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.033 0.158 18018 4945 1 10 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.944 -0.861 18018 4946 1 10 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.080 -0.801 18018 4947 1 10 . 1 1 50 50 ALA H H 50 8.350 8.350 8.216 0.134 18018 4948 1 10 . 1 1 51 51 TYR N N 51 119.264 119.264 118.924 0.340 18018 4949 1 10 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.001 0.200 18018 4950 1 10 . 1 1 51 51 TYR C C 51 178.335 178.335 176.984 1.351 18018 4951 1 10 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.525 -0.438 18018 4952 1 10 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.400 -0.560 18018 4953 1 10 . 1 1 51 51 TYR H H 51 8.054 8.054 8.106 -0.052 18018 4954 1 10 . 1 1 52 52 ALA N N 52 124.002 124.002 120.170 3.832 18018 4955 1 10 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.030 -0.163 18018 4956 1 10 . 1 1 52 52 ALA C C 52 178.352 178.352 179.010 -0.658 18018 4957 1 10 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.715 0.355 18018 4958 1 10 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.363 -1.528 18018 4959 1 10 . 1 1 52 52 ALA H H 52 8.611 8.611 7.782 0.829 18018 4960 1 10 . 1 1 53 53 LEU N N 53 116.323 116.323 115.160 1.163 18018 4961 1 10 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.111 0.173 18018 4962 1 10 . 1 1 53 53 LEU C C 53 177.452 177.452 178.503 -1.051 18018 4963 1 10 . 1 1 53 53 LEU CA C 53 55.862 55.862 56.716 -0.854 18018 4964 1 10 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.737 -0.462 18018 4965 1 10 . 1 1 53 53 LEU H H 53 7.591 7.591 7.381 0.210 18018 4966 1 10 . 1 1 54 54 THR N N 54 110.782 110.782 111.904 -1.122 18018 4967 1 10 . 1 1 54 54 THR HA H 54 4.392 4.392 4.154 0.238 18018 4968 1 10 . 1 1 54 54 THR CA C 54 62.390 62.390 63.693 -1.303 18018 4969 1 10 . 1 1 54 54 THR H H 54 7.947 7.947 7.462 0.485 18018 4970 1 10 . 1 1 55 55 VAL N N 55 123.763 123.763 119.439 4.324 18018 4971 1 10 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.128 -0.246 18018 4972 1 10 . 1 1 55 55 VAL CA C 55 62.744 62.744 61.659 1.085 18018 4973 1 10 . 1 1 55 55 VAL CB C 55 29.871 29.871 33.142 -3.272 18018 4974 1 10 . 1 1 55 55 VAL H H 55 7.171 7.171 7.163 0.008 18018 4975 1 10 . 1 1 56 56 VAL N N 56 118.917 118.917 119.309 -0.392 18018 4976 1 10 . 1 1 56 56 VAL HA H 56 4.390 4.390 3.938 0.452 18018 4977 1 10 . 1 1 56 56 VAL CA C 56 60.780 60.780 63.638 -2.858 18018 4978 1 10 . 1 1 56 56 VAL CB C 56 33.490 33.490 32.277 1.213 18018 4979 1 10 . 1 1 56 56 VAL H H 56 7.409 7.409 7.529 -0.120 18018 4980 1 10 . 1 1 57 57 THR N N 57 115.599 115.599 118.803 -3.204 18018 4981 1 10 . 1 1 57 57 THR HA H 57 4.532 4.532 3.911 0.621 18018 4982 1 10 . 1 1 57 57 THR CA C 57 60.614 60.614 65.064 -4.450 18018 4983 1 10 . 1 1 57 57 THR CB C 57 68.892 68.892 67.449 1.443 18018 4984 1 10 . 1 1 57 57 THR H H 57 7.916 7.916 9.042 -1.126 18018 4985 1 10 . 1 1 58 58 SER N N 58 120.007 120.007 118.367 1.640 18018 4986 1 10 . 1 1 58 58 SER HA H 58 4.547 4.547 4.196 0.351 18018 4987 1 10 . 1 1 58 58 SER CA C 58 57.770 57.770 59.555 -1.785 18018 4988 1 10 . 1 1 58 58 SER CB C 58 63.162 63.162 62.444 0.718 18018 4989 1 10 . 1 1 58 58 SER H H 58 8.580 8.580 8.269 0.311 18018 4990 1 10 . 1 1 59 59 ASP N N 59 122.731 122.731 116.499 6.232 18018 4991 1 10 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.241 0.449 18018 4992 1 10 . 1 1 59 59 ASP CA C 59 53.456 53.456 56.013 -2.557 18018 4993 1 10 . 1 1 59 59 ASP CB C 59 40.748 40.748 40.294 0.454 18018 4994 1 10 . 1 1 59 59 ASP H H 59 8.399 8.399 8.323 0.076 18018 4995 1 10 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.530 -0.362 18018 4996 1 10 . 1 1 60 60 PHE CA C 60 60.054 60.054 59.636 0.418 18018 4997 1 10 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.347 -4.534 18018 4998 1 10 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.403 0.193 18018 4999 1 10 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.937 0.011 18018 5000 1 10 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.221 -0.694 18018 5001 1 10 . 1 1 64 64 GLY N N 64 110.688 110.688 107.984 2.704 18018 5002 1 10 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.705 -1.035 18018 5003 1 10 . 1 1 64 64 GLY H H 64 8.725 8.725 8.584 0.141 18018 5004 1 10 . 1 1 65 65 ASP N N 65 122.028 122.028 117.996 4.032 18018 5005 1 10 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.192 0.471 18018 5006 1 10 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.232 -0.467 18018 5007 1 10 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.269 0.194 18018 5008 1 10 . 1 1 65 65 ASP H H 65 8.649 8.649 8.663 -0.014 18018 5009 1 10 . 1 1 67 67 ASP N N 67 120.095 120.095 117.841 2.254 18018 5010 1 10 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.953 -0.372 18018 5011 1 10 . 1 1 67 67 ASP CA C 67 56.553 56.553 54.866 1.687 18018 5012 1 10 . 1 1 67 67 ASP CB C 67 39.871 39.871 43.129 -3.258 18018 5013 1 10 . 1 1 67 67 ASP H H 67 8.181 8.181 8.475 -0.294 18018 5014 1 10 . 1 1 68 68 VAL N N 68 123.206 123.206 121.665 1.541 18018 5015 1 10 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.794 0.023 18018 5016 1 10 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.661 1.054 18018 5017 1 10 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.990 -0.565 18018 5018 1 10 . 1 1 68 68 VAL H H 68 8.014 8.014 7.675 0.339 18018 5019 1 10 . 1 1 69 69 PHE N N 69 120.318 120.318 120.624 -0.306 18018 5020 1 10 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.122 -0.000 18018 5021 1 10 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.843 -0.101 18018 5022 1 10 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.723 -0.482 18018 5023 1 10 . 1 1 69 69 PHE H H 69 8.501 8.501 8.404 0.097 18018 5024 1 10 . 1 1 70 70 ARG N N 70 117.820 117.820 119.004 -1.184 18018 5025 1 10 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.728 -0.016 18018 5026 1 10 . 1 1 70 70 ARG C C 70 178.813 178.813 178.646 0.167 18018 5027 1 10 . 1 1 70 70 ARG CA C 70 58.846 58.846 58.577 0.269 18018 5028 1 10 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.698 0.084 18018 5029 1 10 . 1 1 70 70 ARG H H 70 8.598 8.598 7.935 0.663 18018 5030 1 10 . 1 1 71 71 LYS N N 71 121.726 121.726 120.328 1.398 18018 5031 1 10 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.105 0.118 18018 5032 1 10 . 1 1 71 71 LYS C C 71 177.020 177.020 179.506 -2.486 18018 5033 1 10 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.220 -0.730 18018 5034 1 10 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.331 -0.445 18018 5035 1 10 . 1 1 71 71 LYS H H 71 7.658 7.658 7.524 0.134 18018 5036 1 10 . 1 1 72 72 LEU N N 72 119.355 119.355 120.631 -1.276 18018 5037 1 10 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.048 -0.023 18018 5038 1 10 . 1 1 72 72 LEU C C 72 177.378 177.378 178.424 -1.046 18018 5039 1 10 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.997 -1.011 18018 5040 1 10 . 1 1 72 72 LEU CB C 72 41.846 41.846 42.138 -0.292 18018 5041 1 10 . 1 1 72 72 LEU H H 72 8.173 8.173 8.431 -0.258 18018 5042 1 10 . 1 1 73 73 ALA N N 73 121.169 121.169 119.709 1.460 18018 5043 1 10 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.955 -0.223 18018 5044 1 10 . 1 1 73 73 ALA C C 73 179.644 179.644 178.061 1.583 18018 5045 1 10 . 1 1 73 73 ALA CA C 73 53.824 53.824 53.957 -0.133 18018 5046 1 10 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.206 -1.670 18018 5047 1 10 . 1 1 73 73 ALA H H 73 9.151 9.151 8.310 0.841 18018 5048 1 10 . 1 1 74 74 ALA N N 74 119.383 119.383 118.371 1.012 18018 5049 1 10 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.220 0.143 18018 5050 1 10 . 1 1 74 74 ALA C C 74 179.752 179.752 178.579 1.173 18018 5051 1 10 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.872 -0.348 18018 5052 1 10 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.549 -0.905 18018 5053 1 10 . 1 1 74 74 ALA H H 74 7.379 7.379 7.401 -0.022 18018 5054 1 10 . 1 1 75 75 ASP N N 75 120.226 120.226 119.468 0.758 18018 5055 1 10 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.655 -0.160 18018 5056 1 10 . 1 1 75 75 ASP C C 75 177.704 177.704 178.052 -0.348 18018 5057 1 10 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.212 -0.225 18018 5058 1 10 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.738 -2.794 18018 5059 1 10 . 1 1 75 75 ASP H H 75 8.474 8.474 7.684 0.790 18018 5060 1 10 . 1 1 76 76 LEU N N 76 115.468 115.468 119.530 -4.062 18018 5061 1 10 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.317 0.075 18018 5062 1 10 . 1 1 76 76 LEU C C 76 174.790 174.790 175.702 -0.912 18018 5063 1 10 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.836 -0.212 18018 5064 1 10 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.085 1.114 18018 5065 1 10 . 1 1 76 76 LEU H H 76 8.599 8.599 8.258 0.341 18018 5066 1 10 . 1 1 77 77 GLU N N 77 124.833 124.833 122.135 2.698 18018 5067 1 10 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.063 0.277 18018 5068 1 10 . 1 1 77 77 GLU C C 77 176.953 176.953 177.387 -0.434 18018 5069 1 10 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.465 0.846 18018 5070 1 10 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.597 0.018 18018 5071 1 10 . 1 1 77 77 GLU H H 77 7.115 7.115 7.202 -0.087 18018 5072 1 10 . 1 1 78 78 GLY N N 78 118.193 118.193 113.040 5.153 18018 5073 1 10 . 1 1 78 78 GLY C C 78 173.075 173.075 174.559 -1.484 18018 5074 1 10 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.630 -0.525 18018 5075 1 10 . 1 1 78 78 GLY H H 78 9.371 9.371 8.451 0.920 18018 5076 1 10 . 1 1 79 79 LYS N N 79 120.237 120.237 119.390 0.847 18018 5077 1 10 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.395 0.236 18018 5078 1 10 . 1 1 79 79 LYS C C 79 175.050 175.050 175.240 -0.190 18018 5079 1 10 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.095 -0.870 18018 5080 1 10 . 1 1 79 79 LYS CB C 79 34.062 34.062 35.115 -1.053 18018 5081 1 10 . 1 1 79 79 LYS H H 79 8.799 8.799 8.295 0.504 18018 5082 1 10 . 1 1 80 80 ALA N N 80 121.135 121.135 121.711 -0.576 18018 5083 1 10 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.672 0.192 18018 5084 1 10 . 1 1 80 80 ALA C C 80 174.051 174.051 175.633 -1.582 18018 5085 1 10 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.467 -0.596 18018 5086 1 10 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.935 0.192 18018 5087 1 10 . 1 1 80 80 ALA H H 80 8.126 8.126 7.823 0.303 18018 5088 1 10 . 1 1 81 81 ASP N N 81 121.569 121.569 125.059 -3.490 18018 5089 1 10 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.739 0.129 18018 5090 1 10 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.595 -2.626 18018 5091 1 10 . 1 1 81 81 ASP CB C 81 41.286 41.286 41.985 -0.699 18018 5092 1 10 . 1 1 81 81 ASP H H 81 8.283 8.283 8.620 -0.337 18018 5093 1 10 . 1 1 82 82 GLU N N 82 120.044 120.044 121.392 -1.348 18018 5094 1 10 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.335 -0.169 18018 5095 1 10 . 1 1 82 82 GLU C C 82 177.350 177.350 178.720 -1.370 18018 5096 1 10 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.775 -0.557 18018 5097 1 10 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.686 -1.061 18018 5098 1 10 . 1 1 82 82 GLU H H 82 8.891 8.891 8.867 0.024 18018 5099 1 10 . 1 1 83 83 GLU N N 83 119.348 119.348 116.721 2.627 18018 5100 1 10 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.140 0.007 18018 5101 1 10 . 1 1 83 83 GLU C C 83 178.794 178.794 177.391 1.403 18018 5102 1 10 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.494 0.588 18018 5103 1 10 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.446 -1.071 18018 5104 1 10 . 1 1 83 83 GLU H H 83 8.827 8.827 8.871 -0.044 18018 5105 1 10 . 1 1 84 84 THR N N 84 119.678 119.678 114.140 5.538 18018 5106 1 10 . 1 1 84 84 THR HA H 84 4.131 4.131 4.322 -0.191 18018 5107 1 10 . 1 1 84 84 THR C C 84 176.165 176.165 175.787 0.378 18018 5108 1 10 . 1 1 84 84 THR CA C 84 66.422 66.422 65.762 0.660 18018 5109 1 10 . 1 1 84 84 THR CB C 84 65.645 65.645 70.338 -4.692 18018 5110 1 10 . 1 1 84 84 THR H H 84 8.552 8.552 7.805 0.747 18018 5111 1 10 . 1 1 85 85 ILE N N 85 123.677 123.677 123.776 -0.099 18018 5112 1 10 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.749 0.070 18018 5113 1 10 . 1 1 85 85 ILE C C 85 174.809 174.809 177.833 -3.024 18018 5114 1 10 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.499 -0.916 18018 5115 1 10 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.985 0.505 18018 5116 1 10 . 1 1 85 85 ILE H H 85 8.571 8.571 8.843 -0.272 18018 5117 1 10 . 1 1 86 86 ARG N N 86 119.556 119.556 118.747 0.809 18018 5118 1 10 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.057 0.114 18018 5119 1 10 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.136 0.483 18018 5120 1 10 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.642 -0.784 18018 5121 1 10 . 1 1 86 86 ARG H H 86 9.093 9.093 8.475 0.618 18018 5122 1 10 . 1 1 87 87 ALA N N 87 121.431 121.431 123.107 -1.676 18018 5123 1 10 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.021 0.267 18018 5124 1 10 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.328 -1.173 18018 5125 1 10 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.971 -0.899 18018 5126 1 10 . 1 1 87 87 ALA H H 87 8.206 8.206 7.742 0.464 18018 5127 1 10 . 1 1 88 88 LYS N N 88 122.850 122.850 118.049 4.801 18018 5128 1 10 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.738 0.244 18018 5129 1 10 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.525 -2.652 18018 5130 1 10 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.540 -1.717 18018 5131 1 10 . 1 1 88 88 LYS H H 88 8.145 8.145 8.060 0.085 18018 5132 1 10 . 1 1 89 89 MET N N 89 118.786 118.786 120.260 -1.474 18018 5133 1 10 . 1 1 89 89 MET HA H 89 3.810 3.810 3.988 -0.178 18018 5134 1 10 . 1 1 89 89 MET CA C 89 60.096 60.096 59.333 0.763 18018 5135 1 10 . 1 1 89 89 MET CB C 89 32.329 32.329 32.673 -0.344 18018 5136 1 10 . 1 1 89 89 MET H H 89 8.468 8.468 7.867 0.601 18018 5137 1 10 . 1 1 90 90 VAL N N 90 120.770 120.770 119.278 1.492 18018 5138 1 10 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.430 0.397 18018 5139 1 10 . 1 1 90 90 VAL C C 90 178.017 178.017 177.985 0.032 18018 5140 1 10 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.797 -1.173 18018 5141 1 10 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.557 0.182 18018 5142 1 10 . 1 1 90 90 VAL H H 90 7.504 7.504 8.203 -0.699 18018 5143 1 10 . 1 1 91 91 GLU N N 91 124.409 124.409 116.308 8.101 18018 5144 1 10 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.047 -0.259 18018 5145 1 10 . 1 1 91 91 GLU C C 91 177.612 177.612 176.711 0.901 18018 5146 1 10 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.433 -0.019 18018 5147 1 10 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.568 1.876 18018 5148 1 10 . 1 1 91 91 GLU H H 91 8.486 8.486 8.159 0.327 18018 5149 1 10 . 1 1 92 92 LEU N N 92 114.680 114.680 116.578 -1.898 18018 5150 1 10 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.444 -0.054 18018 5151 1 10 . 1 1 92 92 LEU C C 92 177.928 177.928 178.779 -0.851 18018 5152 1 10 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.108 0.526 18018 5153 1 10 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.708 -2.367 18018 5154 1 10 . 1 1 92 92 LEU H H 92 8.823 8.823 7.510 1.313 18018 5155 1 10 . 1 1 93 93 ARG N N 93 123.603 123.603 121.418 2.185 18018 5156 1 10 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.074 -0.131 18018 5157 1 10 . 1 1 93 93 ARG C C 93 176.350 176.350 178.637 -2.287 18018 5158 1 10 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.340 1.241 18018 5159 1 10 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.297 -0.394 18018 5160 1 10 . 1 1 93 93 ARG H H 93 7.690 7.690 7.965 -0.275 18018 5161 1 10 . 1 1 94 94 ALA N N 94 122.480 122.480 120.577 1.903 18018 5162 1 10 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.219 0.042 18018 5163 1 10 . 1 1 94 94 ALA C C 94 179.805 179.805 179.447 0.358 18018 5164 1 10 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.933 -0.404 18018 5165 1 10 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.257 -1.321 18018 5166 1 10 . 1 1 94 94 ALA H H 94 7.269 7.269 7.464 -0.195 18018 5167 1 10 . 1 1 95 95 THR N N 95 116.936 116.936 113.825 3.111 18018 5168 1 10 . 1 1 95 95 THR HA H 95 4.045 4.045 4.068 -0.023 18018 5169 1 10 . 1 1 95 95 THR C C 95 175.007 175.007 176.165 -1.158 18018 5170 1 10 . 1 1 95 95 THR CA C 95 65.569 65.569 66.178 -0.609 18018 5171 1 10 . 1 1 95 95 THR CB C 95 68.334 68.334 68.656 -0.322 18018 5172 1 10 . 1 1 95 95 THR H H 95 8.282 8.282 8.082 0.200 18018 5173 1 10 . 1 1 96 96 ALA N N 96 124.095 124.095 122.955 1.140 18018 5174 1 10 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.056 -0.194 18018 5175 1 10 . 1 1 96 96 ALA C C 96 178.184 178.184 179.572 -1.388 18018 5176 1 10 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.836 -0.087 18018 5177 1 10 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.418 0.353 18018 5178 1 10 . 1 1 96 96 ALA H H 96 8.681 8.681 7.756 0.925 18018 5179 1 10 . 1 1 97 97 ARG N N 97 117.328 117.328 117.699 -0.371 18018 5180 1 10 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.021 -0.235 18018 5181 1 10 . 1 1 97 97 ARG C C 97 176.770 176.770 178.572 -1.802 18018 5182 1 10 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.480 0.081 18018 5183 1 10 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.959 -0.343 18018 5184 1 10 . 1 1 97 97 ARG H H 97 8.070 8.070 7.912 0.158 18018 5185 1 10 . 1 1 98 98 GLU N N 98 118.245 118.245 120.550 -2.305 18018 5186 1 10 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.091 0.024 18018 5187 1 10 . 1 1 98 98 GLU C C 98 178.865 178.865 178.641 0.224 18018 5188 1 10 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.829 -0.340 18018 5189 1 10 . 1 1 98 98 GLU CB C 98 28.512 28.512 28.905 -0.393 18018 5190 1 10 . 1 1 98 98 GLU H H 98 7.855 7.855 7.930 -0.075 18018 5191 1 10 . 1 1 99 99 GLN N N 99 119.735 119.735 117.519 2.216 18018 5192 1 10 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.058 0.113 18018 5193 1 10 . 1 1 99 99 GLN C C 99 178.146 178.146 176.960 1.186 18018 5194 1 10 . 1 1 99 99 GLN CA C 99 58.245 58.245 57.618 0.627 18018 5195 1 10 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.268 -1.175 18018 5196 1 10 . 1 1 99 99 GLN H H 99 8.312 8.312 8.188 0.124 18018 5197 1 10 . 1 1 100 100 ILE N N 100 119.864 119.864 119.106 0.758 18018 5198 1 10 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.839 0.111 18018 5199 1 10 . 1 1 100 100 ILE C C 100 178.315 178.315 178.184 0.131 18018 5200 1 10 . 1 1 100 100 ILE CA C 100 61.604 61.604 62.530 -0.926 18018 5201 1 10 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.381 -1.885 18018 5202 1 10 . 1 1 100 100 ILE H H 100 8.445 8.445 7.589 0.856 18018 5203 1 10 . 1 1 101 101 ILE N N 101 120.514 120.514 120.227 0.287 18018 5204 1 10 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.671 0.341 18018 5205 1 10 . 1 1 101 101 ILE C C 101 177.006 177.006 178.912 -1.906 18018 5206 1 10 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.677 0.300 18018 5207 1 10 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.236 0.425 18018 5208 1 10 . 1 1 101 101 ILE H H 101 8.329 8.329 7.747 0.582 18018 5209 1 10 . 1 1 102 102 SER N N 102 116.172 116.172 115.022 1.150 18018 5210 1 10 . 1 1 102 102 SER HA H 102 4.562 4.562 4.219 0.343 18018 5211 1 10 . 1 1 102 102 SER C C 102 173.845 173.845 175.395 -1.550 18018 5212 1 10 . 1 1 102 102 SER CA C 102 59.502 59.502 60.583 -1.081 18018 5213 1 10 . 1 1 102 102 SER CB C 102 63.012 63.012 63.275 -0.263 18018 5214 1 10 . 1 1 102 102 SER H H 102 7.882 7.882 8.092 -0.210 18018 5215 1 10 . 1 1 103 103 GLU N N 103 122.642 122.642 120.186 2.456 18018 5216 1 10 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.384 0.056 18018 5217 1 10 . 1 1 103 103 GLU C C 103 175.095 175.095 177.046 -1.951 18018 5218 1 10 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.281 -0.653 18018 5219 1 10 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.333 -0.520 18018 5220 1 10 . 1 1 103 103 GLU H H 103 7.735 7.735 7.746 -0.011 18018 5221 1 11 . 1 1 4 4 PHE N N 4 122.548 122.548 123.910 -1.362 18018 5222 1 11 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.722 -0.039 18018 5223 1 11 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.872 -0.265 18018 5224 1 11 . 1 1 4 4 PHE CB C 4 38.895 38.895 40.044 -1.149 18018 5225 1 11 . 1 1 4 4 PHE H H 4 8.328 8.328 7.852 0.476 18018 5226 1 11 . 1 1 7 7 ARG N N 7 121.962 121.962 118.017 3.945 18018 5227 1 11 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.648 -0.392 18018 5228 1 11 . 1 1 7 7 ARG C C 7 176.683 176.683 177.257 -0.574 18018 5229 1 11 . 1 1 7 7 ARG CA C 7 57.087 57.087 56.476 0.611 18018 5230 1 11 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.516 -1.154 18018 5231 1 11 . 1 1 7 7 ARG H H 7 8.321 8.321 8.497 -0.176 18018 5232 1 11 . 1 1 8 8 GLU N N 8 121.095 121.095 121.159 -0.064 18018 5233 1 11 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.116 0.135 18018 5234 1 11 . 1 1 8 8 GLU C C 8 176.964 176.964 177.616 -0.652 18018 5235 1 11 . 1 1 8 8 GLU CA C 8 56.933 56.933 58.972 -2.039 18018 5236 1 11 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.677 -0.822 18018 5237 1 11 . 1 1 8 8 GLU H H 8 8.388 8.388 7.898 0.490 18018 5238 1 11 . 1 1 9 9 ARG N N 9 121.310 121.310 115.419 5.891 18018 5239 1 11 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.436 -0.096 18018 5240 1 11 . 1 1 9 9 ARG C C 9 176.563 176.563 174.423 2.140 18018 5241 1 11 . 1 1 9 9 ARG CA C 9 56.413 56.413 54.618 1.795 18018 5242 1 11 . 1 1 9 9 ARG CB C 9 29.669 29.669 30.092 -0.423 18018 5243 1 11 . 1 1 9 9 ARG H H 9 8.268 8.268 8.411 -0.143 18018 5244 1 11 . 1 1 10 10 ALA N N 10 124.224 124.224 121.520 2.704 18018 5245 1 11 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.492 -0.174 18018 5246 1 11 . 1 1 10 10 ALA C C 10 178.129 178.129 176.775 1.354 18018 5247 1 11 . 1 1 10 10 ALA CA C 10 52.947 52.947 51.105 1.842 18018 5248 1 11 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.322 -2.566 18018 5249 1 11 . 1 1 10 10 ALA H H 10 8.222 8.222 7.073 1.149 18018 5250 1 11 . 1 1 11 11 HIS N N 11 118.081 118.081 118.916 -0.835 18018 5251 1 11 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.284 0.415 18018 5252 1 11 . 1 1 11 11 HIS C C 11 175.013 175.013 175.861 -0.848 18018 5253 1 11 . 1 1 11 11 HIS CA C 11 56.255 56.255 59.248 -2.993 18018 5254 1 11 . 1 1 11 11 HIS CB C 11 28.767 28.767 28.276 0.491 18018 5255 1 11 . 1 1 11 11 HIS H H 11 8.486 8.486 8.862 -0.376 18018 5256 1 11 . 1 1 12 12 GLU N N 12 121.492 121.492 118.938 2.554 18018 5257 1 11 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.540 -0.262 18018 5258 1 11 . 1 1 12 12 GLU C C 12 176.808 176.808 176.312 0.496 18018 5259 1 11 . 1 1 12 12 GLU CA C 12 57.621 57.621 57.190 0.431 18018 5260 1 11 . 1 1 12 12 GLU CB C 12 28.853 28.853 30.482 -1.629 18018 5261 1 11 . 1 1 12 12 GLU H H 12 8.370 8.370 8.052 0.318 18018 5262 1 11 . 1 1 13 13 ALA N N 13 123.583 123.583 120.899 2.684 18018 5263 1 11 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.578 -0.274 18018 5264 1 11 . 1 1 13 13 ALA C C 13 178.197 178.197 178.173 0.024 18018 5265 1 11 . 1 1 13 13 ALA CA C 13 54.051 54.051 52.662 1.389 18018 5266 1 11 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.612 -1.824 18018 5267 1 11 . 1 1 13 13 ALA H H 13 8.426 8.426 8.046 0.380 18018 5268 1 11 . 1 1 14 14 LYS N N 14 119.772 119.772 119.841 -0.069 18018 5269 1 11 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.809 0.409 18018 5270 1 11 . 1 1 14 14 LYS C C 14 176.757 176.757 177.213 -0.456 18018 5271 1 11 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.682 -1.572 18018 5272 1 11 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.846 -0.103 18018 5273 1 11 . 1 1 14 14 LYS H H 14 8.073 8.073 8.494 -0.421 18018 5274 1 11 . 1 1 15 15 PHE N N 15 118.073 118.073 115.745 2.328 18018 5275 1 11 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.403 0.041 18018 5276 1 11 . 1 1 15 15 PHE C C 15 175.635 175.635 177.921 -2.286 18018 5277 1 11 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.866 -1.865 18018 5278 1 11 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.666 -0.175 18018 5279 1 11 . 1 1 15 15 PHE H H 15 7.926 7.926 7.910 0.016 18018 5280 1 11 . 1 1 16 16 ALA N N 16 122.453 122.453 120.724 1.729 18018 5281 1 11 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.086 0.220 18018 5282 1 11 . 1 1 16 16 ALA C C 16 177.641 177.641 178.974 -1.333 18018 5283 1 11 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.476 -1.424 18018 5284 1 11 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.370 -0.349 18018 5285 1 11 . 1 1 16 16 ALA H H 16 8.137 8.137 8.436 -0.299 18018 5286 1 11 . 1 1 17 17 HIS N N 17 115.587 115.587 115.685 -0.098 18018 5287 1 11 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.426 0.399 18018 5288 1 11 . 1 1 17 17 HIS CA C 17 55.095 55.095 57.280 -2.185 18018 5289 1 11 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.136 -1.178 18018 5290 1 11 . 1 1 17 17 HIS H H 17 8.051 8.051 8.022 0.029 18018 5291 1 11 . 1 1 18 18 ASP N N 18 121.432 121.432 116.235 5.197 18018 5292 1 11 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.339 0.451 18018 5293 1 11 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.935 -2.353 18018 5294 1 11 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.208 0.579 18018 5295 1 11 . 1 1 18 18 ASP H H 18 7.913 7.913 8.086 -0.173 18018 5296 1 11 . 1 1 19 19 ALA N N 19 126.983 126.983 121.682 5.301 18018 5297 1 11 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.765 0.531 18018 5298 1 11 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.526 -0.479 18018 5299 1 11 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.296 0.563 18018 5300 1 11 . 1 1 19 19 ALA H H 19 8.599 8.599 8.709 -0.110 18018 5301 1 11 . 1 1 20 20 GLU N N 20 119.997 119.997 120.385 -0.388 18018 5302 1 11 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.138 0.191 18018 5303 1 11 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.151 -0.774 18018 5304 1 11 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.582 -0.705 18018 5305 1 11 . 1 1 20 20 GLU H H 20 8.377 8.377 7.982 0.395 18018 5306 1 11 . 1 1 21 21 LEU N N 21 122.484 122.484 120.196 2.288 18018 5307 1 11 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.340 -0.177 18018 5308 1 11 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.398 -1.273 18018 5309 1 11 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.675 -0.645 18018 5310 1 11 . 1 1 21 21 LEU H H 21 8.117 8.117 8.134 -0.017 18018 5311 1 11 . 1 1 22 22 ASN N N 22 117.879 117.879 118.253 -0.374 18018 5312 1 11 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.397 0.295 18018 5313 1 11 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.847 -0.509 18018 5314 1 11 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.494 2.644 18018 5315 1 11 . 1 1 22 22 ASN H H 22 8.507 8.507 8.476 0.031 18018 5316 1 11 . 1 1 23 23 PHE N N 23 121.096 121.096 119.300 1.796 18018 5317 1 11 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.380 0.083 18018 5318 1 11 . 1 1 23 23 PHE CA C 23 60.239 60.239 60.299 -0.060 18018 5319 1 11 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.345 -1.313 18018 5320 1 11 . 1 1 23 23 PHE H H 23 8.465 8.465 7.963 0.502 18018 5321 1 11 . 1 1 24 24 LYS N N 24 120.580 120.580 119.308 1.272 18018 5322 1 11 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.900 0.271 18018 5323 1 11 . 1 1 24 24 LYS C C 24 179.309 179.309 178.388 0.921 18018 5324 1 11 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.966 0.075 18018 5325 1 11 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.481 -0.094 18018 5326 1 11 . 1 1 24 24 LYS H H 24 8.427 8.427 7.668 0.759 18018 5327 1 11 . 1 1 25 25 ALA N N 25 123.682 123.682 122.246 1.436 18018 5328 1 11 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.011 0.110 18018 5329 1 11 . 1 1 25 25 ALA C C 25 178.243 178.243 179.364 -1.121 18018 5330 1 11 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.227 -0.762 18018 5331 1 11 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.433 -0.734 18018 5332 1 11 . 1 1 25 25 ALA H H 25 8.768 8.768 8.709 0.059 18018 5333 1 11 . 1 1 26 26 GLU N N 26 122.051 122.051 118.408 3.643 18018 5334 1 11 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.970 0.051 18018 5335 1 11 . 1 1 26 26 GLU C C 26 177.265 177.265 178.595 -1.330 18018 5336 1 11 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.404 -0.943 18018 5337 1 11 . 1 1 26 26 GLU CB C 26 28.762 28.762 28.953 -0.191 18018 5338 1 11 . 1 1 26 26 GLU H H 26 8.532 8.532 8.751 -0.219 18018 5339 1 11 . 1 1 27 27 ALA N N 27 122.124 122.124 122.651 -0.527 18018 5340 1 11 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.149 0.176 18018 5341 1 11 . 1 1 27 27 ALA C C 27 180.552 180.552 179.652 0.900 18018 5342 1 11 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.432 -0.263 18018 5343 1 11 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.337 -1.228 18018 5344 1 11 . 1 1 27 27 ALA H H 27 8.048 8.048 7.438 0.610 18018 5345 1 11 . 1 1 28 28 ARG N N 28 120.501 120.501 119.871 0.630 18018 5346 1 11 . 1 1 28 28 ARG HA H 28 4.412 4.412 3.977 0.435 18018 5347 1 11 . 1 1 28 28 ARG C C 28 176.309 176.309 178.443 -2.134 18018 5348 1 11 . 1 1 28 28 ARG CA C 28 55.969 55.969 59.105 -3.136 18018 5349 1 11 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.941 -3.026 18018 5350 1 11 . 1 1 28 28 ARG H H 28 8.046 8.046 7.943 0.103 18018 5351 1 11 . 1 1 29 29 ARG N N 29 122.842 122.842 117.302 5.540 18018 5352 1 11 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.891 -0.193 18018 5353 1 11 . 1 1 29 29 ARG CA C 29 59.416 59.416 60.037 -0.621 18018 5354 1 11 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.515 -1.367 18018 5355 1 11 . 1 1 29 29 ARG H H 29 8.908 8.908 8.656 0.252 18018 5356 1 11 . 1 1 30 30 ASN N N 30 120.150 120.150 118.734 1.416 18018 5357 1 11 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.488 0.146 18018 5358 1 11 . 1 1 30 30 ASN C C 30 175.888 175.888 177.276 -1.388 18018 5359 1 11 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.659 -0.252 18018 5360 1 11 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.681 -1.746 18018 5361 1 11 . 1 1 30 30 ASN H H 30 8.402 8.402 7.701 0.701 18018 5362 1 11 . 1 1 31 31 ARG N N 31 123.400 123.400 121.584 1.816 18018 5363 1 11 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.072 0.210 18018 5364 1 11 . 1 1 31 31 ARG C C 31 177.804 177.804 178.597 -0.793 18018 5365 1 11 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.476 -0.526 18018 5366 1 11 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.154 -1.033 18018 5367 1 11 . 1 1 31 31 ARG H H 31 7.996 7.996 8.255 -0.259 18018 5368 1 11 . 1 1 32 32 LEU N N 32 119.872 119.872 118.333 1.539 18018 5369 1 11 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.302 -0.011 18018 5370 1 11 . 1 1 32 32 LEU C C 32 180.602 180.602 179.570 1.032 18018 5371 1 11 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.621 -0.375 18018 5372 1 11 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.453 -0.283 18018 5373 1 11 . 1 1 32 32 LEU H H 32 8.742 8.742 8.277 0.465 18018 5374 1 11 . 1 1 33 33 LEU N N 33 124.468 124.468 119.752 4.716 18018 5375 1 11 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.296 0.005 18018 5376 1 11 . 1 1 33 33 LEU C C 33 177.992 177.992 179.003 -1.011 18018 5377 1 11 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.351 -0.336 18018 5378 1 11 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.569 0.670 18018 5379 1 11 . 1 1 33 33 LEU H H 33 9.249 9.249 7.424 1.825 18018 5380 1 11 . 1 1 34 34 GLY N N 34 109.045 109.045 107.527 1.518 18018 5381 1 11 . 1 1 34 34 GLY C C 34 174.530 174.530 175.819 -1.289 18018 5382 1 11 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.789 -0.343 18018 5383 1 11 . 1 1 34 34 GLY H H 34 8.873 8.873 8.514 0.359 18018 5384 1 11 . 1 1 35 35 GLU N N 35 123.414 123.414 122.455 0.959 18018 5385 1 11 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.206 -0.029 18018 5386 1 11 . 1 1 35 35 GLU C C 35 178.866 178.866 178.710 0.156 18018 5387 1 11 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.091 0.940 18018 5388 1 11 . 1 1 35 35 GLU CB C 35 28.963 28.963 28.796 0.167 18018 5389 1 11 . 1 1 35 35 GLU H H 35 8.920 8.920 8.366 0.554 18018 5390 1 11 . 1 1 36 36 TRP N N 36 124.774 124.774 122.991 1.783 18018 5391 1 11 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.222 0.361 18018 5392 1 11 . 1 1 36 36 TRP C C 36 177.618 177.618 177.697 -0.079 18018 5393 1 11 . 1 1 36 36 TRP CA C 36 59.618 59.618 61.294 -1.676 18018 5394 1 11 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.382 -2.788 18018 5395 1 11 . 1 1 36 36 TRP H H 36 8.510 8.510 7.816 0.694 18018 5396 1 11 . 1 1 37 37 ALA N N 37 123.777 123.777 119.902 3.875 18018 5397 1 11 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.182 0.195 18018 5398 1 11 . 1 1 37 37 ALA C C 37 177.427 177.427 179.081 -1.654 18018 5399 1 11 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.358 -0.509 18018 5400 1 11 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.696 1.350 18018 5401 1 11 . 1 1 37 37 ALA H H 37 9.122 9.122 7.743 1.379 18018 5402 1 11 . 1 1 38 38 ALA N N 38 119.259 119.259 119.982 -0.723 18018 5403 1 11 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.399 0.095 18018 5404 1 11 . 1 1 38 38 ALA C C 38 178.670 178.670 179.040 -0.370 18018 5405 1 11 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.974 -0.531 18018 5406 1 11 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.061 -0.372 18018 5407 1 11 . 1 1 38 38 ALA H H 38 8.772 8.772 8.098 0.674 18018 5408 1 11 . 1 1 39 39 GLY N N 39 104.027 104.027 106.062 -2.035 18018 5409 1 11 . 1 1 39 39 GLY C C 39 177.232 177.232 176.720 0.512 18018 5410 1 11 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.848 -0.426 18018 5411 1 11 . 1 1 39 39 GLY H H 39 7.733 7.733 7.691 0.042 18018 5412 1 11 . 1 1 40 40 LEU N N 40 125.448 125.448 121.267 4.181 18018 5413 1 11 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.871 0.214 18018 5414 1 11 . 1 1 40 40 LEU C C 40 178.203 178.203 178.271 -0.068 18018 5415 1 11 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.224 0.494 18018 5416 1 11 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.813 -0.474 18018 5417 1 11 . 1 1 40 40 LEU H H 40 7.492 7.492 6.885 0.607 18018 5418 1 11 . 1 1 41 41 LEU N N 41 117.234 117.234 114.337 2.897 18018 5419 1 11 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.983 0.124 18018 5420 1 11 . 1 1 41 41 LEU C C 41 176.119 176.119 177.550 -1.431 18018 5421 1 11 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.418 -1.536 18018 5422 1 11 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.686 -0.033 18018 5423 1 11 . 1 1 41 41 LEU H H 41 7.676 7.676 7.634 0.042 18018 5424 1 11 . 1 1 42 42 GLY N N 42 109.595 109.595 105.832 3.763 18018 5425 1 11 . 1 1 42 42 GLY C C 42 173.775 173.775 175.110 -1.335 18018 5426 1 11 . 1 1 42 42 GLY CA C 42 45.248 45.248 45.314 -0.066 18018 5427 1 11 . 1 1 42 42 GLY H H 42 7.869 7.869 7.387 0.482 18018 5428 1 11 . 1 1 43 43 LYS N N 43 119.965 119.965 120.588 -0.623 18018 5429 1 11 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.446 0.266 18018 5430 1 11 . 1 1 43 43 LYS C C 43 175.246 175.246 176.354 -1.108 18018 5431 1 11 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.526 -0.756 18018 5432 1 11 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.394 0.377 18018 5433 1 11 . 1 1 43 43 LYS H H 43 8.079 8.079 7.785 0.294 18018 5434 1 11 . 1 1 44 44 THR N N 44 114.199 114.199 110.310 3.889 18018 5435 1 11 . 1 1 44 44 THR HA H 44 4.749 4.749 4.458 0.291 18018 5436 1 11 . 1 1 44 44 THR C C 44 174.392 174.392 175.198 -0.806 18018 5437 1 11 . 1 1 44 44 THR CA C 44 58.992 58.992 60.683 -1.691 18018 5438 1 11 . 1 1 44 44 THR CB C 44 71.762 71.762 72.129 -0.367 18018 5439 1 11 . 1 1 44 44 THR H H 44 8.934 8.934 8.044 0.890 18018 5440 1 11 . 1 1 45 45 GLY N N 45 109.657 109.657 111.084 -1.427 18018 5441 1 11 . 1 1 45 45 GLY C C 45 175.330 175.330 174.127 1.203 18018 5442 1 11 . 1 1 45 45 GLY CA C 45 46.145 46.145 47.287 -1.142 18018 5443 1 11 . 1 1 45 45 GLY H H 45 8.862 8.862 8.628 0.234 18018 5444 1 11 . 1 1 46 46 ASP N N 46 128.403 128.403 121.477 6.926 18018 5445 1 11 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.783 -0.250 18018 5446 1 11 . 1 1 46 46 ASP C C 46 177.343 177.343 177.406 -0.063 18018 5447 1 11 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.267 2.218 18018 5448 1 11 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.085 -2.207 18018 5449 1 11 . 1 1 46 46 ASP H H 46 9.283 9.283 7.976 1.307 18018 5450 1 11 . 1 1 47 47 ASP N N 47 121.367 121.367 122.244 -0.877 18018 5451 1 11 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.369 0.267 18018 5452 1 11 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.815 -1.675 18018 5453 1 11 . 1 1 47 47 ASP CB C 47 39.976 39.976 41.106 -1.130 18018 5454 1 11 . 1 1 47 47 ASP H H 47 8.488 8.488 8.031 0.457 18018 5455 1 11 . 1 1 48 48 ALA N N 48 123.210 123.210 121.764 1.446 18018 5456 1 11 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.924 -0.007 18018 5457 1 11 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.467 -1.420 18018 5458 1 11 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.602 -1.960 18018 5459 1 11 . 1 1 48 48 ALA H H 48 7.235 7.235 7.917 -0.682 18018 5460 1 11 . 1 1 49 49 ARG N N 49 120.088 120.088 119.351 0.737 18018 5461 1 11 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.010 0.098 18018 5462 1 11 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.044 -0.344 18018 5463 1 11 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.107 -0.542 18018 5464 1 11 . 1 1 49 49 ARG H H 49 7.777 7.777 8.158 -0.381 18018 5465 1 11 . 1 1 50 50 ALA N N 50 120.988 120.988 122.296 -1.308 18018 5466 1 11 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.027 0.164 18018 5467 1 11 . 1 1 50 50 ALA CA C 50 54.083 54.083 55.112 -1.029 18018 5468 1 11 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.082 -0.803 18018 5469 1 11 . 1 1 50 50 ALA H H 50 8.350 8.350 8.260 0.090 18018 5470 1 11 . 1 1 51 51 TYR N N 51 119.264 119.264 119.950 -0.686 18018 5471 1 11 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.029 0.172 18018 5472 1 11 . 1 1 51 51 TYR C C 51 178.335 178.335 177.440 0.895 18018 5473 1 11 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.501 -0.414 18018 5474 1 11 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.363 -0.523 18018 5475 1 11 . 1 1 51 51 TYR H H 51 8.054 8.054 8.013 0.041 18018 5476 1 11 . 1 1 52 52 ALA N N 52 124.002 124.002 119.095 4.907 18018 5477 1 11 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.146 -0.279 18018 5478 1 11 . 1 1 52 52 ALA C C 52 178.352 178.352 178.271 0.081 18018 5479 1 11 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.415 0.655 18018 5480 1 11 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.755 -1.920 18018 5481 1 11 . 1 1 52 52 ALA H H 52 8.611 8.611 8.124 0.487 18018 5482 1 11 . 1 1 53 53 LEU N N 53 116.323 116.323 115.348 0.975 18018 5483 1 11 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.415 -0.131 18018 5484 1 11 . 1 1 53 53 LEU C C 53 177.452 177.452 179.005 -1.553 18018 5485 1 11 . 1 1 53 53 LEU CA C 53 55.862 55.862 55.964 -0.102 18018 5486 1 11 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.593 -1.318 18018 5487 1 11 . 1 1 53 53 LEU H H 53 7.591 7.591 7.700 -0.109 18018 5488 1 11 . 1 1 54 54 THR N N 54 110.782 110.782 116.320 -5.538 18018 5489 1 11 . 1 1 54 54 THR HA H 54 4.392 4.392 4.107 0.285 18018 5490 1 11 . 1 1 54 54 THR CA C 54 62.390 62.390 65.487 -3.097 18018 5491 1 11 . 1 1 54 54 THR H H 54 7.947 7.947 8.093 -0.146 18018 5492 1 11 . 1 1 55 55 VAL N N 55 123.763 123.763 119.904 3.859 18018 5493 1 11 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.004 -0.122 18018 5494 1 11 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.066 0.678 18018 5495 1 11 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.956 -2.085 18018 5496 1 11 . 1 1 55 55 VAL H H 55 7.171 7.171 7.903 -0.732 18018 5497 1 11 . 1 1 56 56 VAL N N 56 118.917 118.917 121.176 -2.259 18018 5498 1 11 . 1 1 56 56 VAL HA H 56 4.390 4.390 3.948 0.442 18018 5499 1 11 . 1 1 56 56 VAL CA C 56 60.780 60.780 63.804 -3.024 18018 5500 1 11 . 1 1 56 56 VAL CB C 56 33.490 33.490 31.826 1.663 18018 5501 1 11 . 1 1 56 56 VAL H H 56 7.409 7.409 7.309 0.100 18018 5502 1 11 . 1 1 57 57 THR N N 57 115.599 115.599 116.648 -1.049 18018 5503 1 11 . 1 1 57 57 THR HA H 57 4.532 4.532 3.990 0.542 18018 5504 1 11 . 1 1 57 57 THR CA C 57 60.614 60.614 64.163 -3.549 18018 5505 1 11 . 1 1 57 57 THR CB C 57 68.892 68.892 68.613 0.279 18018 5506 1 11 . 1 1 57 57 THR H H 57 7.916 7.916 8.719 -0.803 18018 5507 1 11 . 1 1 58 58 SER N N 58 120.007 120.007 118.026 1.981 18018 5508 1 11 . 1 1 58 58 SER HA H 58 4.547 4.547 4.646 -0.099 18018 5509 1 11 . 1 1 58 58 SER CA C 58 57.770 57.770 58.367 -0.597 18018 5510 1 11 . 1 1 58 58 SER CB C 58 63.162 63.162 62.738 0.424 18018 5511 1 11 . 1 1 58 58 SER H H 58 8.580 8.580 7.501 1.079 18018 5512 1 11 . 1 1 59 59 ASP N N 59 122.731 122.731 122.808 -0.077 18018 5513 1 11 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.906 -0.216 18018 5514 1 11 . 1 1 59 59 ASP CA C 59 53.456 53.456 53.336 0.120 18018 5515 1 11 . 1 1 59 59 ASP CB C 59 40.748 40.748 42.882 -2.134 18018 5516 1 11 . 1 1 59 59 ASP H H 59 8.399 8.399 7.752 0.647 18018 5517 1 11 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.408 -0.240 18018 5518 1 11 . 1 1 60 60 PHE CA C 60 60.054 60.054 60.054 -0.000 18018 5519 1 11 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.895 -4.082 18018 5520 1 11 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.472 0.124 18018 5521 1 11 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.980 -0.032 18018 5522 1 11 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.388 -0.861 18018 5523 1 11 . 1 1 64 64 GLY N N 64 110.688 110.688 111.194 -0.506 18018 5524 1 11 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.837 -0.167 18018 5525 1 11 . 1 1 64 64 GLY H H 64 8.725 8.725 8.265 0.460 18018 5526 1 11 . 1 1 65 65 ASP N N 65 122.028 122.028 122.093 -0.065 18018 5527 1 11 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.713 -0.050 18018 5528 1 11 . 1 1 65 65 ASP CA C 65 55.765 55.765 53.824 1.941 18018 5529 1 11 . 1 1 65 65 ASP CB C 65 40.462 40.462 42.218 -1.756 18018 5530 1 11 . 1 1 65 65 ASP H H 65 8.649 8.649 8.200 0.450 18018 5531 1 11 . 1 1 67 67 ASP N N 67 120.095 120.095 117.991 2.104 18018 5532 1 11 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.427 0.154 18018 5533 1 11 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.776 -0.223 18018 5534 1 11 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.740 -0.869 18018 5535 1 11 . 1 1 67 67 ASP H H 67 8.181 8.181 8.227 -0.046 18018 5536 1 11 . 1 1 68 68 VAL N N 68 123.206 123.206 119.094 4.112 18018 5537 1 11 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.780 0.037 18018 5538 1 11 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.278 0.437 18018 5539 1 11 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.727 -0.302 18018 5540 1 11 . 1 1 68 68 VAL H H 68 8.014 8.014 7.793 0.221 18018 5541 1 11 . 1 1 69 69 PHE N N 69 120.318 120.318 120.624 -0.306 18018 5542 1 11 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.158 -0.036 18018 5543 1 11 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.870 -0.128 18018 5544 1 11 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.024 -0.783 18018 5545 1 11 . 1 1 69 69 PHE H H 69 8.501 8.501 7.656 0.845 18018 5546 1 11 . 1 1 70 70 ARG N N 70 117.820 117.820 118.236 -0.416 18018 5547 1 11 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.972 -0.260 18018 5548 1 11 . 1 1 70 70 ARG C C 70 178.813 178.813 178.691 0.122 18018 5549 1 11 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.275 -0.429 18018 5550 1 11 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.865 -0.083 18018 5551 1 11 . 1 1 70 70 ARG H H 70 8.598 8.598 7.862 0.736 18018 5552 1 11 . 1 1 71 71 LYS N N 71 121.726 121.726 120.408 1.318 18018 5553 1 11 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.167 0.056 18018 5554 1 11 . 1 1 71 71 LYS C C 71 177.020 177.020 178.486 -1.466 18018 5555 1 11 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.069 0.421 18018 5556 1 11 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.269 -0.383 18018 5557 1 11 . 1 1 71 71 LYS H H 71 7.658 7.658 7.343 0.315 18018 5558 1 11 . 1 1 72 72 LEU N N 72 119.355 119.355 120.307 -0.952 18018 5559 1 11 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.106 -0.081 18018 5560 1 11 . 1 1 72 72 LEU C C 72 177.378 177.378 179.105 -1.727 18018 5561 1 11 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.290 -1.304 18018 5562 1 11 . 1 1 72 72 LEU CB C 72 41.846 41.846 40.957 0.889 18018 5563 1 11 . 1 1 72 72 LEU H H 72 8.173 8.173 8.491 -0.318 18018 5564 1 11 . 1 1 73 73 ALA N N 73 121.169 121.169 120.829 0.340 18018 5565 1 11 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.880 -0.148 18018 5566 1 11 . 1 1 73 73 ALA C C 73 179.644 179.644 178.404 1.240 18018 5567 1 11 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.653 -0.829 18018 5568 1 11 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.116 -1.580 18018 5569 1 11 . 1 1 73 73 ALA H H 73 9.151 9.151 8.163 0.988 18018 5570 1 11 . 1 1 74 74 ALA N N 74 119.383 119.383 119.642 -0.259 18018 5571 1 11 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.025 0.338 18018 5572 1 11 . 1 1 74 74 ALA C C 74 179.752 179.752 180.171 -0.419 18018 5573 1 11 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.257 -0.733 18018 5574 1 11 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.463 -0.819 18018 5575 1 11 . 1 1 74 74 ALA H H 74 7.379 7.379 7.556 -0.177 18018 5576 1 11 . 1 1 75 75 ASP N N 75 120.226 120.226 120.685 -0.459 18018 5577 1 11 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.452 0.043 18018 5578 1 11 . 1 1 75 75 ASP C C 75 177.704 177.704 177.825 -0.121 18018 5579 1 11 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.702 -0.715 18018 5580 1 11 . 1 1 75 75 ASP CB C 75 38.944 38.944 40.882 -1.938 18018 5581 1 11 . 1 1 75 75 ASP H H 75 8.474 8.474 8.111 0.363 18018 5582 1 11 . 1 1 76 76 LEU N N 76 115.468 115.468 118.367 -2.899 18018 5583 1 11 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.340 0.052 18018 5584 1 11 . 1 1 76 76 LEU C C 76 174.790 174.790 176.140 -1.350 18018 5585 1 11 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.647 -1.023 18018 5586 1 11 . 1 1 76 76 LEU CB C 76 40.199 40.199 41.509 -1.310 18018 5587 1 11 . 1 1 76 76 LEU H H 76 8.599 8.599 7.978 0.621 18018 5588 1 11 . 1 1 77 77 GLU N N 77 124.833 124.833 121.880 2.953 18018 5589 1 11 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.014 0.326 18018 5590 1 11 . 1 1 77 77 GLU C C 77 176.953 176.953 177.356 -0.403 18018 5591 1 11 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.729 0.582 18018 5592 1 11 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.232 -0.617 18018 5593 1 11 . 1 1 77 77 GLU H H 77 7.115 7.115 7.483 -0.368 18018 5594 1 11 . 1 1 78 78 GLY N N 78 118.193 118.193 114.140 4.053 18018 5595 1 11 . 1 1 78 78 GLY C C 78 173.075 173.075 174.605 -1.530 18018 5596 1 11 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.707 -0.602 18018 5597 1 11 . 1 1 78 78 GLY H H 78 9.371 9.371 8.675 0.696 18018 5598 1 11 . 1 1 79 79 LYS N N 79 120.237 120.237 117.896 2.341 18018 5599 1 11 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.438 0.193 18018 5600 1 11 . 1 1 79 79 LYS C C 79 175.050 175.050 175.052 -0.002 18018 5601 1 11 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.043 -0.818 18018 5602 1 11 . 1 1 79 79 LYS CB C 79 34.062 34.062 35.513 -1.451 18018 5603 1 11 . 1 1 79 79 LYS H H 79 8.799 8.799 8.338 0.461 18018 5604 1 11 . 1 1 80 80 ALA N N 80 121.135 121.135 122.637 -1.502 18018 5605 1 11 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.637 0.227 18018 5606 1 11 . 1 1 80 80 ALA C C 80 174.051 174.051 175.167 -1.116 18018 5607 1 11 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.870 -0.999 18018 5608 1 11 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.969 0.158 18018 5609 1 11 . 1 1 80 80 ALA H H 80 8.126 8.126 7.784 0.342 18018 5610 1 11 . 1 1 81 81 ASP N N 81 121.569 121.569 123.452 -1.883 18018 5611 1 11 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.628 0.240 18018 5612 1 11 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.139 -2.170 18018 5613 1 11 . 1 1 81 81 ASP CB C 81 41.286 41.286 41.838 -0.552 18018 5614 1 11 . 1 1 81 81 ASP H H 81 8.283 8.283 8.207 0.076 18018 5615 1 11 . 1 1 82 82 GLU N N 82 120.044 120.044 121.690 -1.646 18018 5616 1 11 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.262 -0.096 18018 5617 1 11 . 1 1 82 82 GLU C C 82 177.350 177.350 178.687 -1.337 18018 5618 1 11 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.657 -0.439 18018 5619 1 11 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.921 -1.296 18018 5620 1 11 . 1 1 82 82 GLU H H 82 8.891 8.891 8.828 0.063 18018 5621 1 11 . 1 1 83 83 GLU N N 83 119.348 119.348 116.980 2.368 18018 5622 1 11 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.113 0.034 18018 5623 1 11 . 1 1 83 83 GLU C C 83 178.794 178.794 177.721 1.073 18018 5624 1 11 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.792 0.290 18018 5625 1 11 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.531 -1.156 18018 5626 1 11 . 1 1 83 83 GLU H H 83 8.827 8.827 8.752 0.075 18018 5627 1 11 . 1 1 84 84 THR N N 84 119.678 119.678 111.497 8.181 18018 5628 1 11 . 1 1 84 84 THR HA H 84 4.131 4.131 4.489 -0.358 18018 5629 1 11 . 1 1 84 84 THR C C 84 176.165 176.165 175.879 0.286 18018 5630 1 11 . 1 1 84 84 THR CA C 84 66.422 66.422 63.851 2.571 18018 5631 1 11 . 1 1 84 84 THR CB C 84 65.645 65.645 70.293 -4.648 18018 5632 1 11 . 1 1 84 84 THR H H 84 8.552 8.552 7.630 0.922 18018 5633 1 11 . 1 1 85 85 ILE N N 85 123.677 123.677 124.348 -0.671 18018 5634 1 11 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.809 0.010 18018 5635 1 11 . 1 1 85 85 ILE C C 85 174.809 174.809 177.642 -2.833 18018 5636 1 11 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.528 -0.945 18018 5637 1 11 . 1 1 85 85 ILE CB C 85 38.490 38.490 38.020 0.470 18018 5638 1 11 . 1 1 85 85 ILE H H 85 8.571 8.571 8.680 -0.109 18018 5639 1 11 . 1 1 86 86 ARG N N 86 119.556 119.556 119.229 0.327 18018 5640 1 11 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.116 0.055 18018 5641 1 11 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.052 0.567 18018 5642 1 11 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.634 -0.776 18018 5643 1 11 . 1 1 86 86 ARG H H 86 9.093 9.093 8.404 0.689 18018 5644 1 11 . 1 1 87 87 ALA N N 87 121.431 121.431 122.827 -1.396 18018 5645 1 11 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.003 0.285 18018 5646 1 11 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.427 -1.272 18018 5647 1 11 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.997 -0.925 18018 5648 1 11 . 1 1 87 87 ALA H H 87 8.206 8.206 7.880 0.326 18018 5649 1 11 . 1 1 88 88 LYS N N 88 122.850 122.850 117.941 4.909 18018 5650 1 11 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.813 0.169 18018 5651 1 11 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.087 -2.214 18018 5652 1 11 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.375 -1.552 18018 5653 1 11 . 1 1 88 88 LYS H H 88 8.145 8.145 8.066 0.079 18018 5654 1 11 . 1 1 89 89 MET N N 89 118.786 118.786 120.901 -2.115 18018 5655 1 11 . 1 1 89 89 MET HA H 89 3.810 3.810 3.970 -0.160 18018 5656 1 11 . 1 1 89 89 MET CA C 89 60.096 60.096 59.434 0.662 18018 5657 1 11 . 1 1 89 89 MET CB C 89 32.329 32.329 32.724 -0.395 18018 5658 1 11 . 1 1 89 89 MET H H 89 8.468 8.468 8.306 0.163 18018 5659 1 11 . 1 1 90 90 VAL N N 90 120.770 120.770 119.345 1.425 18018 5660 1 11 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.623 0.204 18018 5661 1 11 . 1 1 90 90 VAL C C 90 178.017 178.017 178.784 -0.767 18018 5662 1 11 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.660 -1.035 18018 5663 1 11 . 1 1 90 90 VAL CB C 90 31.739 31.739 30.918 0.821 18018 5664 1 11 . 1 1 90 90 VAL H H 90 7.504 7.504 8.209 -0.705 18018 5665 1 11 . 1 1 91 91 GLU N N 91 124.409 124.409 117.323 7.086 18018 5666 1 11 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.156 -0.368 18018 5667 1 11 . 1 1 91 91 GLU C C 91 177.612 177.612 177.592 0.020 18018 5668 1 11 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.066 0.348 18018 5669 1 11 . 1 1 91 91 GLU CB C 91 31.444 31.444 28.439 3.005 18018 5670 1 11 . 1 1 91 91 GLU H H 91 8.486 8.486 8.454 0.032 18018 5671 1 11 . 1 1 92 92 LEU N N 92 114.680 114.680 118.500 -3.820 18018 5672 1 11 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.483 -0.093 18018 5673 1 11 . 1 1 92 92 LEU C C 92 177.928 177.928 178.719 -0.791 18018 5674 1 11 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.974 -0.340 18018 5675 1 11 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.514 -2.173 18018 5676 1 11 . 1 1 92 92 LEU H H 92 8.823 8.823 7.213 1.610 18018 5677 1 11 . 1 1 93 93 ARG N N 93 123.603 123.603 120.982 2.621 18018 5678 1 11 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.061 -0.118 18018 5679 1 11 . 1 1 93 93 ARG C C 93 176.350 176.350 178.581 -2.231 18018 5680 1 11 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.460 1.121 18018 5681 1 11 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.433 -0.530 18018 5682 1 11 . 1 1 93 93 ARG H H 93 7.690 7.690 8.118 -0.428 18018 5683 1 11 . 1 1 94 94 ALA N N 94 122.480 122.480 120.109 2.371 18018 5684 1 11 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.291 -0.030 18018 5685 1 11 . 1 1 94 94 ALA C C 94 179.805 179.805 179.268 0.537 18018 5686 1 11 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.753 -0.224 18018 5687 1 11 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.194 -1.258 18018 5688 1 11 . 1 1 94 94 ALA H H 94 7.269 7.269 7.445 -0.176 18018 5689 1 11 . 1 1 95 95 THR N N 95 116.936 116.936 115.105 1.831 18018 5690 1 11 . 1 1 95 95 THR HA H 95 4.045 4.045 3.935 0.110 18018 5691 1 11 . 1 1 95 95 THR C C 95 175.007 175.007 176.527 -1.520 18018 5692 1 11 . 1 1 95 95 THR CA C 95 65.569 65.569 66.495 -0.926 18018 5693 1 11 . 1 1 95 95 THR CB C 95 68.334 68.334 68.637 -0.303 18018 5694 1 11 . 1 1 95 95 THR H H 95 8.282 8.282 7.844 0.438 18018 5695 1 11 . 1 1 96 96 ALA N N 96 124.095 124.095 123.169 0.926 18018 5696 1 11 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.058 -0.196 18018 5697 1 11 . 1 1 96 96 ALA C C 96 178.184 178.184 179.297 -1.113 18018 5698 1 11 . 1 1 96 96 ALA CA C 96 54.749 54.749 55.144 -0.395 18018 5699 1 11 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.174 0.596 18018 5700 1 11 . 1 1 96 96 ALA H H 96 8.681 8.681 8.177 0.504 18018 5701 1 11 . 1 1 97 97 ARG N N 97 117.328 117.328 117.105 0.223 18018 5702 1 11 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.053 -0.267 18018 5703 1 11 . 1 1 97 97 ARG C C 97 176.770 176.770 178.378 -1.608 18018 5704 1 11 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.248 0.313 18018 5705 1 11 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.123 -0.507 18018 5706 1 11 . 1 1 97 97 ARG H H 97 8.070 8.070 7.732 0.338 18018 5707 1 11 . 1 1 98 98 GLU N N 98 118.245 118.245 116.898 1.347 18018 5708 1 11 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.326 -0.211 18018 5709 1 11 . 1 1 98 98 GLU C C 98 178.865 178.865 177.839 1.026 18018 5710 1 11 . 1 1 98 98 GLU CA C 98 58.489 58.489 57.884 0.605 18018 5711 1 11 . 1 1 98 98 GLU CB C 98 28.512 28.512 30.199 -1.687 18018 5712 1 11 . 1 1 98 98 GLU H H 98 7.855 7.855 7.937 -0.082 18018 5713 1 11 . 1 1 99 99 GLN N N 99 119.735 119.735 118.520 1.215 18018 5714 1 11 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.194 -0.023 18018 5715 1 11 . 1 1 99 99 GLN C C 99 178.146 178.146 178.511 -0.365 18018 5716 1 11 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.277 -0.032 18018 5717 1 11 . 1 1 99 99 GLN CB C 99 27.094 27.094 29.178 -2.084 18018 5718 1 11 . 1 1 99 99 GLN H H 99 8.312 8.312 7.919 0.393 18018 5719 1 11 . 1 1 100 100 ILE N N 100 119.864 119.864 121.947 -2.083 18018 5720 1 11 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.867 0.083 18018 5721 1 11 . 1 1 100 100 ILE C C 100 178.315 178.315 178.274 0.041 18018 5722 1 11 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.234 -2.630 18018 5723 1 11 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.571 -1.075 18018 5724 1 11 . 1 1 100 100 ILE H H 100 8.445 8.445 8.076 0.369 18018 5725 1 11 . 1 1 101 101 ILE N N 101 120.514 120.514 116.321 4.193 18018 5726 1 11 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.859 0.153 18018 5727 1 11 . 1 1 101 101 ILE C C 101 177.006 177.006 177.615 -0.609 18018 5728 1 11 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.411 0.566 18018 5729 1 11 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.270 0.390 18018 5730 1 11 . 1 1 101 101 ILE H H 101 8.329 8.329 8.214 0.115 18018 5731 1 11 . 1 1 102 102 SER N N 102 116.172 116.172 114.857 1.315 18018 5732 1 11 . 1 1 102 102 SER HA H 102 4.562 4.562 4.352 0.210 18018 5733 1 11 . 1 1 102 102 SER C C 102 173.845 173.845 175.336 -1.491 18018 5734 1 11 . 1 1 102 102 SER CA C 102 59.502 59.502 59.891 -0.389 18018 5735 1 11 . 1 1 102 102 SER CB C 102 63.012 63.012 63.174 -0.162 18018 5736 1 11 . 1 1 102 102 SER H H 102 7.882 7.882 7.957 -0.075 18018 5737 1 11 . 1 1 103 103 GLU N N 103 122.642 122.642 119.104 3.538 18018 5738 1 11 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.283 0.157 18018 5739 1 11 . 1 1 103 103 GLU C C 103 175.095 175.095 176.550 -1.455 18018 5740 1 11 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.633 -1.005 18018 5741 1 11 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.343 -0.530 18018 5742 1 11 . 1 1 103 103 GLU H H 103 7.735 7.735 7.951 -0.216 18018 5743 1 12 . 1 1 4 4 PHE N N 4 122.548 122.548 121.977 0.571 18018 5744 1 12 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.842 -0.159 18018 5745 1 12 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.380 0.226 18018 5746 1 12 . 1 1 4 4 PHE CB C 4 38.895 38.895 39.499 -0.604 18018 5747 1 12 . 1 1 4 4 PHE H H 4 8.328 8.328 8.188 0.140 18018 5748 1 12 . 1 1 7 7 ARG N N 7 121.962 121.962 117.581 4.381 18018 5749 1 12 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.503 -0.247 18018 5750 1 12 . 1 1 7 7 ARG C C 7 176.683 176.683 175.262 1.421 18018 5751 1 12 . 1 1 7 7 ARG CA C 7 57.087 57.087 55.541 1.546 18018 5752 1 12 . 1 1 7 7 ARG CB C 7 29.362 29.362 32.117 -2.755 18018 5753 1 12 . 1 1 7 7 ARG H H 7 8.321 8.321 8.350 -0.029 18018 5754 1 12 . 1 1 8 8 GLU N N 8 121.095 121.095 121.032 0.063 18018 5755 1 12 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.508 -0.257 18018 5756 1 12 . 1 1 8 8 GLU C C 8 176.964 176.964 175.876 1.088 18018 5757 1 12 . 1 1 8 8 GLU CA C 8 56.933 56.933 55.370 1.562 18018 5758 1 12 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.378 -0.523 18018 5759 1 12 . 1 1 8 8 GLU H H 8 8.388 8.388 8.737 -0.349 18018 5760 1 12 . 1 1 9 9 ARG N N 9 121.310 121.310 121.529 -0.219 18018 5761 1 12 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.855 0.485 18018 5762 1 12 . 1 1 9 9 ARG C C 9 176.563 176.563 175.077 1.486 18018 5763 1 12 . 1 1 9 9 ARG CA C 9 56.413 56.413 56.587 -0.174 18018 5764 1 12 . 1 1 9 9 ARG CB C 9 29.669 29.669 27.341 2.328 18018 5765 1 12 . 1 1 9 9 ARG H H 9 8.268 8.268 8.715 -0.447 18018 5766 1 12 . 1 1 10 10 ALA N N 10 124.224 124.224 119.386 4.838 18018 5767 1 12 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.238 0.080 18018 5768 1 12 . 1 1 10 10 ALA C C 10 178.129 178.129 176.847 1.282 18018 5769 1 12 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.643 0.304 18018 5770 1 12 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.192 -2.436 18018 5771 1 12 . 1 1 10 10 ALA H H 10 8.222 8.222 8.090 0.132 18018 5772 1 12 . 1 1 11 11 HIS N N 11 118.081 118.081 115.325 2.756 18018 5773 1 12 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.771 -0.072 18018 5774 1 12 . 1 1 11 11 HIS C C 11 175.013 175.013 175.554 -0.541 18018 5775 1 12 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.716 -0.461 18018 5776 1 12 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.476 -3.709 18018 5777 1 12 . 1 1 11 11 HIS H H 11 8.486 8.486 8.410 0.076 18018 5778 1 12 . 1 1 12 12 GLU N N 12 121.492 121.492 120.208 1.284 18018 5779 1 12 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.297 -0.019 18018 5780 1 12 . 1 1 12 12 GLU C C 12 176.808 176.808 176.477 0.331 18018 5781 1 12 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.390 -0.769 18018 5782 1 12 . 1 1 12 12 GLU CB C 12 28.853 28.853 30.187 -1.334 18018 5783 1 12 . 1 1 12 12 GLU H H 12 8.370 8.370 8.454 -0.084 18018 5784 1 12 . 1 1 13 13 ALA N N 13 123.583 123.583 121.426 2.157 18018 5785 1 12 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.239 0.065 18018 5786 1 12 . 1 1 13 13 ALA C C 13 178.197 178.197 178.745 -0.548 18018 5787 1 12 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.801 0.250 18018 5788 1 12 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.729 -0.941 18018 5789 1 12 . 1 1 13 13 ALA H H 13 8.426 8.426 8.288 0.138 18018 5790 1 12 . 1 1 14 14 LYS N N 14 119.772 119.772 120.050 -0.278 18018 5791 1 12 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.876 0.342 18018 5792 1 12 . 1 1 14 14 LYS C C 14 176.757 176.757 178.352 -1.595 18018 5793 1 12 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.054 -1.944 18018 5794 1 12 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.765 -0.022 18018 5795 1 12 . 1 1 14 14 LYS H H 14 8.073 8.073 8.203 -0.130 18018 5796 1 12 . 1 1 15 15 PHE N N 15 118.073 118.073 114.965 3.108 18018 5797 1 12 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.464 -0.020 18018 5798 1 12 . 1 1 15 15 PHE C C 15 175.635 175.635 176.667 -1.032 18018 5799 1 12 . 1 1 15 15 PHE CA C 15 59.001 59.001 59.487 -0.486 18018 5800 1 12 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.113 0.378 18018 5801 1 12 . 1 1 15 15 PHE H H 15 7.926 7.926 7.761 0.165 18018 5802 1 12 . 1 1 16 16 ALA N N 16 122.453 122.453 120.495 1.958 18018 5803 1 12 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.051 0.255 18018 5804 1 12 . 1 1 16 16 ALA C C 16 177.641 177.641 178.399 -0.758 18018 5805 1 12 . 1 1 16 16 ALA CA C 16 53.052 53.052 53.281 -0.229 18018 5806 1 12 . 1 1 16 16 ALA CB C 16 18.021 18.021 17.678 0.343 18018 5807 1 12 . 1 1 16 16 ALA H H 16 8.137 8.137 7.156 0.981 18018 5808 1 12 . 1 1 17 17 HIS N N 17 115.587 115.587 117.362 -1.775 18018 5809 1 12 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.269 0.556 18018 5810 1 12 . 1 1 17 17 HIS CA C 17 55.095 55.095 58.015 -2.920 18018 5811 1 12 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.076 -1.118 18018 5812 1 12 . 1 1 17 17 HIS H H 17 8.051 8.051 7.782 0.270 18018 5813 1 12 . 1 1 18 18 ASP N N 18 121.432 121.432 119.141 2.291 18018 5814 1 12 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.668 0.122 18018 5815 1 12 . 1 1 18 18 ASP CA C 18 53.582 53.582 54.304 -0.722 18018 5816 1 12 . 1 1 18 18 ASP CB C 18 40.787 40.787 42.101 -1.314 18018 5817 1 12 . 1 1 18 18 ASP H H 18 7.913 7.913 7.902 0.011 18018 5818 1 12 . 1 1 19 19 ALA N N 19 126.983 126.983 122.803 4.180 18018 5819 1 12 . 1 1 19 19 ALA HA H 19 4.296 4.296 4.367 -0.071 18018 5820 1 12 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.914 -0.867 18018 5821 1 12 . 1 1 19 19 ALA CB C 19 17.859 17.859 19.785 -1.926 18018 5822 1 12 . 1 1 19 19 ALA H H 19 8.599 8.599 8.487 0.112 18018 5823 1 12 . 1 1 20 20 GLU N N 20 119.997 119.997 119.281 0.716 18018 5824 1 12 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.028 0.301 18018 5825 1 12 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.211 -0.833 18018 5826 1 12 . 1 1 20 20 GLU CB C 20 28.877 28.877 28.797 0.081 18018 5827 1 12 . 1 1 20 20 GLU H H 20 8.377 8.377 8.119 0.258 18018 5828 1 12 . 1 1 21 21 LEU N N 21 122.484 122.484 117.800 4.684 18018 5829 1 12 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.311 -0.148 18018 5830 1 12 . 1 1 21 21 LEU CA C 21 57.125 57.125 56.171 0.954 18018 5831 1 12 . 1 1 21 21 LEU CB C 21 41.030 41.030 40.751 0.279 18018 5832 1 12 . 1 1 21 21 LEU H H 21 8.117 8.117 8.417 -0.300 18018 5833 1 12 . 1 1 22 22 ASN N N 22 117.879 117.879 118.121 -0.242 18018 5834 1 12 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.936 -0.244 18018 5835 1 12 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.068 0.270 18018 5836 1 12 . 1 1 22 22 ASN CB C 22 40.138 40.138 39.651 0.487 18018 5837 1 12 . 1 1 22 22 ASN H H 22 8.507 8.507 8.694 -0.187 18018 5838 1 12 . 1 1 23 23 PHE N N 23 121.096 121.096 120.364 0.732 18018 5839 1 12 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.328 0.135 18018 5840 1 12 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.227 -0.988 18018 5841 1 12 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.702 -0.670 18018 5842 1 12 . 1 1 23 23 PHE H H 23 8.465 8.465 8.178 0.287 18018 5843 1 12 . 1 1 24 24 LYS N N 24 120.580 120.580 119.266 1.314 18018 5844 1 12 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.910 0.261 18018 5845 1 12 . 1 1 24 24 LYS C C 24 179.309 179.309 179.075 0.234 18018 5846 1 12 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.485 -0.444 18018 5847 1 12 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.434 0.953 18018 5848 1 12 . 1 1 24 24 LYS H H 24 8.427 8.427 7.867 0.560 18018 5849 1 12 . 1 1 25 25 ALA N N 25 123.682 123.682 122.710 0.972 18018 5850 1 12 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.085 0.036 18018 5851 1 12 . 1 1 25 25 ALA C C 25 178.243 178.243 179.005 -0.762 18018 5852 1 12 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.626 -0.161 18018 5853 1 12 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.242 -0.543 18018 5854 1 12 . 1 1 25 25 ALA H H 25 8.768 8.768 7.804 0.964 18018 5855 1 12 . 1 1 26 26 GLU N N 26 122.051 122.051 117.300 4.751 18018 5856 1 12 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.117 -0.096 18018 5857 1 12 . 1 1 26 26 GLU C C 26 177.265 177.265 176.834 0.431 18018 5858 1 12 . 1 1 26 26 GLU CA C 26 58.461 58.461 58.089 0.372 18018 5859 1 12 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.631 -0.869 18018 5860 1 12 . 1 1 26 26 GLU H H 26 8.532 8.532 7.782 0.750 18018 5861 1 12 . 1 1 27 27 ALA N N 27 122.124 122.124 118.254 3.870 18018 5862 1 12 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.558 -0.233 18018 5863 1 12 . 1 1 27 27 ALA C C 27 180.552 180.552 176.667 3.885 18018 5864 1 12 . 1 1 27 27 ALA CA C 27 54.169 54.169 51.584 2.585 18018 5865 1 12 . 1 1 27 27 ALA CB C 27 17.109 17.109 19.483 -2.374 18018 5866 1 12 . 1 1 27 27 ALA H H 27 8.048 8.048 7.409 0.639 18018 5867 1 12 . 1 1 28 28 ARG N N 28 120.501 120.501 119.089 1.412 18018 5868 1 12 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.522 -0.110 18018 5869 1 12 . 1 1 28 28 ARG C C 28 176.309 176.309 178.117 -1.808 18018 5870 1 12 . 1 1 28 28 ARG CA C 28 55.969 55.969 56.990 -1.021 18018 5871 1 12 . 1 1 28 28 ARG CB C 28 26.915 26.915 31.930 -5.015 18018 5872 1 12 . 1 1 28 28 ARG H H 28 8.046 8.046 8.057 -0.011 18018 5873 1 12 . 1 1 29 29 ARG N N 29 122.842 122.842 119.404 3.438 18018 5874 1 12 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.013 -0.315 18018 5875 1 12 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.734 -0.318 18018 5876 1 12 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.281 -1.133 18018 5877 1 12 . 1 1 29 29 ARG H H 29 8.908 8.908 8.236 0.672 18018 5878 1 12 . 1 1 30 30 ASN N N 30 120.150 120.150 117.656 2.494 18018 5879 1 12 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.506 0.128 18018 5880 1 12 . 1 1 30 30 ASN C C 30 175.888 175.888 177.442 -1.554 18018 5881 1 12 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.176 -0.769 18018 5882 1 12 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.714 -1.779 18018 5883 1 12 . 1 1 30 30 ASN H H 30 8.402 8.402 8.464 -0.062 18018 5884 1 12 . 1 1 31 31 ARG N N 31 123.400 123.400 120.894 2.506 18018 5885 1 12 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.248 0.034 18018 5886 1 12 . 1 1 31 31 ARG C C 31 177.804 177.804 178.771 -0.967 18018 5887 1 12 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.269 -0.319 18018 5888 1 12 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.062 -0.941 18018 5889 1 12 . 1 1 31 31 ARG H H 31 7.996 7.996 8.116 -0.120 18018 5890 1 12 . 1 1 32 32 LEU N N 32 119.872 119.872 118.803 1.069 18018 5891 1 12 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.142 0.149 18018 5892 1 12 . 1 1 32 32 LEU C C 32 180.602 180.602 179.086 1.516 18018 5893 1 12 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.254 -1.008 18018 5894 1 12 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.827 -0.657 18018 5895 1 12 . 1 1 32 32 LEU H H 32 8.742 8.742 7.944 0.798 18018 5896 1 12 . 1 1 33 33 LEU N N 33 124.468 124.468 118.827 5.641 18018 5897 1 12 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.206 0.095 18018 5898 1 12 . 1 1 33 33 LEU C C 33 177.992 177.992 178.532 -0.540 18018 5899 1 12 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.090 -0.075 18018 5900 1 12 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.949 0.290 18018 5901 1 12 . 1 1 33 33 LEU H H 33 9.249 9.249 7.956 1.293 18018 5902 1 12 . 1 1 34 34 GLY N N 34 109.045 109.045 107.460 1.585 18018 5903 1 12 . 1 1 34 34 GLY C C 34 174.530 174.530 175.869 -1.339 18018 5904 1 12 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.734 -0.287 18018 5905 1 12 . 1 1 34 34 GLY H H 34 8.873 8.873 8.601 0.272 18018 5906 1 12 . 1 1 35 35 GLU N N 35 123.414 123.414 121.223 2.191 18018 5907 1 12 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.158 0.019 18018 5908 1 12 . 1 1 35 35 GLU C C 35 178.866 178.866 178.584 0.282 18018 5909 1 12 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.535 0.496 18018 5910 1 12 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.061 -0.098 18018 5911 1 12 . 1 1 35 35 GLU H H 35 8.920 8.920 8.461 0.459 18018 5912 1 12 . 1 1 36 36 TRP N N 36 124.774 124.774 122.188 2.586 18018 5913 1 12 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.342 0.241 18018 5914 1 12 . 1 1 36 36 TRP C C 36 177.618 177.618 177.885 -0.267 18018 5915 1 12 . 1 1 36 36 TRP CA C 36 59.618 59.618 59.915 -0.297 18018 5916 1 12 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.513 -2.919 18018 5917 1 12 . 1 1 36 36 TRP H H 36 8.510 8.510 7.334 1.176 18018 5918 1 12 . 1 1 37 37 ALA N N 37 123.777 123.777 121.228 2.549 18018 5919 1 12 . 1 1 37 37 ALA HA H 37 3.377 3.377 2.993 0.384 18018 5920 1 12 . 1 1 37 37 ALA C C 37 177.427 177.427 178.823 -1.396 18018 5921 1 12 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.346 -0.497 18018 5922 1 12 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.459 1.587 18018 5923 1 12 . 1 1 37 37 ALA H H 37 9.122 9.122 8.037 1.085 18018 5924 1 12 . 1 1 38 38 ALA N N 38 119.259 119.259 120.287 -1.028 18018 5925 1 12 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.256 0.238 18018 5926 1 12 . 1 1 38 38 ALA C C 38 178.670 178.670 179.139 -0.469 18018 5927 1 12 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.770 -0.327 18018 5928 1 12 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.088 -0.399 18018 5929 1 12 . 1 1 38 38 ALA H H 38 8.772 8.772 7.957 0.815 18018 5930 1 12 . 1 1 39 39 GLY N N 39 104.027 104.027 105.478 -1.451 18018 5931 1 12 . 1 1 39 39 GLY C C 39 177.232 177.232 176.146 1.086 18018 5932 1 12 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.701 -0.279 18018 5933 1 12 . 1 1 39 39 GLY H H 39 7.733 7.733 7.946 -0.213 18018 5934 1 12 . 1 1 40 40 LEU N N 40 125.448 125.448 120.795 4.653 18018 5935 1 12 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.981 0.104 18018 5936 1 12 . 1 1 40 40 LEU C C 40 178.203 178.203 177.659 0.544 18018 5937 1 12 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.239 0.478 18018 5938 1 12 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.938 -0.599 18018 5939 1 12 . 1 1 40 40 LEU H H 40 7.492 7.492 7.165 0.327 18018 5940 1 12 . 1 1 41 41 LEU N N 41 117.234 117.234 113.978 3.256 18018 5941 1 12 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.009 0.098 18018 5942 1 12 . 1 1 41 41 LEU C C 41 176.119 176.119 177.976 -1.857 18018 5943 1 12 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.980 -2.098 18018 5944 1 12 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.890 -0.237 18018 5945 1 12 . 1 1 41 41 LEU H H 41 7.676 7.676 7.424 0.252 18018 5946 1 12 . 1 1 42 42 GLY N N 42 109.595 109.595 105.466 4.129 18018 5947 1 12 . 1 1 42 42 GLY C C 42 173.775 173.775 174.328 -0.553 18018 5948 1 12 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.658 0.590 18018 5949 1 12 . 1 1 42 42 GLY H H 42 7.869 7.869 7.601 0.268 18018 5950 1 12 . 1 1 43 43 LYS N N 43 119.965 119.965 120.519 -0.554 18018 5951 1 12 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.700 0.012 18018 5952 1 12 . 1 1 43 43 LYS C C 43 175.246 175.246 175.333 -0.087 18018 5953 1 12 . 1 1 43 43 LYS CA C 43 54.770 54.770 54.105 0.665 18018 5954 1 12 . 1 1 43 43 LYS CB C 43 33.771 33.771 34.476 -0.705 18018 5955 1 12 . 1 1 43 43 LYS H H 43 8.079 8.079 8.221 -0.142 18018 5956 1 12 . 1 1 44 44 THR N N 44 114.199 114.199 108.747 5.452 18018 5957 1 12 . 1 1 44 44 THR HA H 44 4.749 4.749 4.419 0.330 18018 5958 1 12 . 1 1 44 44 THR C C 44 174.392 174.392 174.495 -0.103 18018 5959 1 12 . 1 1 44 44 THR CA C 44 58.992 58.992 60.622 -1.630 18018 5960 1 12 . 1 1 44 44 THR CB C 44 71.762 71.762 71.855 -0.093 18018 5961 1 12 . 1 1 44 44 THR H H 44 8.934 8.934 8.023 0.911 18018 5962 1 12 . 1 1 45 45 GLY N N 45 109.657 109.657 111.909 -2.252 18018 5963 1 12 . 1 1 45 45 GLY C C 45 175.330 175.330 174.922 0.408 18018 5964 1 12 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.287 -0.142 18018 5965 1 12 . 1 1 45 45 GLY H H 45 8.862 8.862 8.581 0.281 18018 5966 1 12 . 1 1 46 46 ASP N N 46 128.403 128.403 122.606 5.797 18018 5967 1 12 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.450 0.083 18018 5968 1 12 . 1 1 46 46 ASP C C 46 177.343 177.343 177.569 -0.226 18018 5969 1 12 . 1 1 46 46 ASP CA C 46 56.485 56.485 55.958 0.527 18018 5970 1 12 . 1 1 46 46 ASP CB C 46 39.878 39.878 40.561 -0.683 18018 5971 1 12 . 1 1 46 46 ASP H H 46 9.283 9.283 8.558 0.725 18018 5972 1 12 . 1 1 47 47 ASP N N 47 121.367 121.367 120.912 0.455 18018 5973 1 12 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.379 0.257 18018 5974 1 12 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.447 -1.307 18018 5975 1 12 . 1 1 47 47 ASP CB C 47 39.976 39.976 41.045 -1.069 18018 5976 1 12 . 1 1 47 47 ASP H H 47 8.488 8.488 7.962 0.526 18018 5977 1 12 . 1 1 48 48 ALA N N 48 123.210 123.210 122.148 1.062 18018 5978 1 12 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.052 -0.135 18018 5979 1 12 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.715 -0.667 18018 5980 1 12 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.766 -2.124 18018 5981 1 12 . 1 1 48 48 ALA H H 48 7.235 7.235 7.546 -0.311 18018 5982 1 12 . 1 1 49 49 ARG N N 49 120.088 120.088 119.448 0.640 18018 5983 1 12 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.974 0.134 18018 5984 1 12 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.277 -0.577 18018 5985 1 12 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.223 -0.658 18018 5986 1 12 . 1 1 49 49 ARG H H 49 7.777 7.777 7.959 -0.182 18018 5987 1 12 . 1 1 50 50 ALA N N 50 120.988 120.988 121.686 -0.698 18018 5988 1 12 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.012 0.179 18018 5989 1 12 . 1 1 50 50 ALA CA C 50 54.083 54.083 55.064 -0.981 18018 5990 1 12 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.108 -0.830 18018 5991 1 12 . 1 1 50 50 ALA H H 50 8.350 8.350 7.915 0.435 18018 5992 1 12 . 1 1 51 51 TYR N N 51 119.264 119.264 119.950 -0.686 18018 5993 1 12 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.021 0.180 18018 5994 1 12 . 1 1 51 51 TYR C C 51 178.335 178.335 177.336 0.999 18018 5995 1 12 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.515 -0.428 18018 5996 1 12 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.321 -0.481 18018 5997 1 12 . 1 1 51 51 TYR H H 51 8.054 8.054 7.607 0.447 18018 5998 1 12 . 1 1 52 52 ALA N N 52 124.002 124.002 118.848 5.154 18018 5999 1 12 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.141 -0.274 18018 6000 1 12 . 1 1 52 52 ALA C C 52 178.352 178.352 178.316 0.036 18018 6001 1 12 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.413 0.657 18018 6002 1 12 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.635 -1.800 18018 6003 1 12 . 1 1 52 52 ALA H H 52 8.611 8.611 7.844 0.767 18018 6004 1 12 . 1 1 53 53 LEU N N 53 116.323 116.323 116.204 0.119 18018 6005 1 12 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.440 -0.156 18018 6006 1 12 . 1 1 53 53 LEU C C 53 177.452 177.452 179.066 -1.614 18018 6007 1 12 . 1 1 53 53 LEU CA C 53 55.862 55.862 56.281 -0.419 18018 6008 1 12 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.506 -1.231 18018 6009 1 12 . 1 1 53 53 LEU H H 53 7.591 7.591 7.544 0.047 18018 6010 1 12 . 1 1 54 54 THR N N 54 110.782 110.782 115.752 -4.970 18018 6011 1 12 . 1 1 54 54 THR HA H 54 4.392 4.392 4.061 0.331 18018 6012 1 12 . 1 1 54 54 THR CA C 54 62.390 62.390 65.438 -3.048 18018 6013 1 12 . 1 1 54 54 THR H H 54 7.947 7.947 8.030 -0.083 18018 6014 1 12 . 1 1 55 55 VAL N N 55 123.763 123.763 119.005 4.758 18018 6015 1 12 . 1 1 55 55 VAL HA H 55 3.882 3.882 3.976 -0.094 18018 6016 1 12 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.298 -0.554 18018 6017 1 12 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.965 -2.094 18018 6018 1 12 . 1 1 55 55 VAL H H 55 7.171 7.171 7.714 -0.543 18018 6019 1 12 . 1 1 56 56 VAL N N 56 118.917 118.917 117.435 1.482 18018 6020 1 12 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.398 -0.008 18018 6021 1 12 . 1 1 56 56 VAL CA C 56 60.780 60.780 61.612 -0.832 18018 6022 1 12 . 1 1 56 56 VAL CB C 56 33.490 33.490 31.043 2.447 18018 6023 1 12 . 1 1 56 56 VAL H H 56 7.409 7.409 7.343 0.066 18018 6024 1 12 . 1 1 57 57 THR N N 57 115.599 115.599 119.918 -4.319 18018 6025 1 12 . 1 1 57 57 THR HA H 57 4.532 4.532 4.504 0.028 18018 6026 1 12 . 1 1 57 57 THR CA C 57 60.614 60.614 63.247 -2.633 18018 6027 1 12 . 1 1 57 57 THR CB C 57 68.892 68.892 69.479 -0.587 18018 6028 1 12 . 1 1 57 57 THR H H 57 7.916 7.916 8.605 -0.689 18018 6029 1 12 . 1 1 58 58 SER N N 58 120.007 120.007 116.488 3.519 18018 6030 1 12 . 1 1 58 58 SER HA H 58 4.547 4.547 4.621 -0.074 18018 6031 1 12 . 1 1 58 58 SER CA C 58 57.770 57.770 58.535 -0.765 18018 6032 1 12 . 1 1 58 58 SER CB C 58 63.162 63.162 64.526 -1.364 18018 6033 1 12 . 1 1 58 58 SER H H 58 8.580 8.580 7.983 0.597 18018 6034 1 12 . 1 1 59 59 ASP N N 59 122.731 122.731 123.400 -0.669 18018 6035 1 12 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.379 0.311 18018 6036 1 12 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.512 -1.056 18018 6037 1 12 . 1 1 59 59 ASP CB C 59 40.748 40.748 40.428 0.320 18018 6038 1 12 . 1 1 59 59 ASP H H 59 8.399 8.399 8.157 0.242 18018 6039 1 12 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.880 -0.712 18018 6040 1 12 . 1 1 60 60 PHE CA C 60 60.054 60.054 57.495 2.559 18018 6041 1 12 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.024 -4.211 18018 6042 1 12 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.547 0.049 18018 6043 1 12 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.679 0.269 18018 6044 1 12 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.630 -1.103 18018 6045 1 12 . 1 1 64 64 GLY N N 64 110.688 110.688 109.334 1.354 18018 6046 1 12 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.284 -0.614 18018 6047 1 12 . 1 1 64 64 GLY H H 64 8.725 8.725 8.293 0.432 18018 6048 1 12 . 1 1 65 65 ASP N N 65 122.028 122.028 121.260 0.768 18018 6049 1 12 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.218 0.445 18018 6050 1 12 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.881 -1.116 18018 6051 1 12 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.125 0.337 18018 6052 1 12 . 1 1 65 65 ASP H H 65 8.649 8.649 8.518 0.131 18018 6053 1 12 . 1 1 67 67 ASP N N 67 120.095 120.095 121.161 -1.066 18018 6054 1 12 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.460 0.121 18018 6055 1 12 . 1 1 67 67 ASP CA C 67 56.553 56.553 57.416 -0.862 18018 6056 1 12 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.968 -1.097 18018 6057 1 12 . 1 1 67 67 ASP H H 67 8.181 8.181 8.240 -0.059 18018 6058 1 12 . 1 1 68 68 VAL N N 68 123.206 123.206 118.598 4.608 18018 6059 1 12 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.823 -0.006 18018 6060 1 12 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.358 1.357 18018 6061 1 12 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.729 -0.304 18018 6062 1 12 . 1 1 68 68 VAL H H 68 8.014 8.014 7.695 0.319 18018 6063 1 12 . 1 1 69 69 PHE N N 69 120.318 120.318 122.311 -1.993 18018 6064 1 12 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.176 -0.054 18018 6065 1 12 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.049 -0.307 18018 6066 1 12 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.353 -1.113 18018 6067 1 12 . 1 1 69 69 PHE H H 69 8.501 8.501 8.188 0.313 18018 6068 1 12 . 1 1 70 70 ARG N N 70 117.820 117.820 119.058 -1.238 18018 6069 1 12 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.875 -0.163 18018 6070 1 12 . 1 1 70 70 ARG C C 70 178.813 178.813 178.491 0.322 18018 6071 1 12 . 1 1 70 70 ARG CA C 70 58.846 58.846 58.990 -0.144 18018 6072 1 12 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.687 0.095 18018 6073 1 12 . 1 1 70 70 ARG H H 70 8.598 8.598 7.966 0.632 18018 6074 1 12 . 1 1 71 71 LYS N N 71 121.726 121.726 120.178 1.548 18018 6075 1 12 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.026 0.197 18018 6076 1 12 . 1 1 71 71 LYS C C 71 177.020 177.020 178.765 -1.745 18018 6077 1 12 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.429 -0.939 18018 6078 1 12 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.244 -0.358 18018 6079 1 12 . 1 1 71 71 LYS H H 71 7.658 7.658 7.238 0.420 18018 6080 1 12 . 1 1 72 72 LEU N N 72 119.355 119.355 120.262 -0.907 18018 6081 1 12 . 1 1 72 72 LEU HA H 72 4.025 4.025 3.951 0.074 18018 6082 1 12 . 1 1 72 72 LEU C C 72 177.378 177.378 178.938 -1.560 18018 6083 1 12 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.084 -1.098 18018 6084 1 12 . 1 1 72 72 LEU CB C 72 41.846 41.846 42.020 -0.173 18018 6085 1 12 . 1 1 72 72 LEU H H 72 8.173 8.173 7.947 0.226 18018 6086 1 12 . 1 1 73 73 ALA N N 73 121.169 121.169 119.611 1.558 18018 6087 1 12 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.817 -0.085 18018 6088 1 12 . 1 1 73 73 ALA C C 73 179.644 179.644 178.346 1.298 18018 6089 1 12 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.241 -0.417 18018 6090 1 12 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.070 -1.534 18018 6091 1 12 . 1 1 73 73 ALA H H 73 9.151 9.151 8.333 0.818 18018 6092 1 12 . 1 1 74 74 ALA N N 74 119.383 119.383 118.712 0.671 18018 6093 1 12 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.098 0.265 18018 6094 1 12 . 1 1 74 74 ALA C C 74 179.752 179.752 179.580 0.172 18018 6095 1 12 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.145 -0.621 18018 6096 1 12 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.361 -0.717 18018 6097 1 12 . 1 1 74 74 ALA H H 74 7.379 7.379 7.430 -0.051 18018 6098 1 12 . 1 1 75 75 ASP N N 75 120.226 120.226 120.685 -0.459 18018 6099 1 12 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.554 -0.059 18018 6100 1 12 . 1 1 75 75 ASP C C 75 177.704 177.704 177.755 -0.051 18018 6101 1 12 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.822 -0.835 18018 6102 1 12 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.189 -2.245 18018 6103 1 12 . 1 1 75 75 ASP H H 75 8.474 8.474 7.400 1.074 18018 6104 1 12 . 1 1 76 76 LEU N N 76 115.468 115.468 118.224 -2.756 18018 6105 1 12 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.281 0.111 18018 6106 1 12 . 1 1 76 76 LEU C C 76 174.790 174.790 176.270 -1.480 18018 6107 1 12 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.273 -0.649 18018 6108 1 12 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.549 0.650 18018 6109 1 12 . 1 1 76 76 LEU H H 76 8.599 8.599 7.972 0.627 18018 6110 1 12 . 1 1 77 77 GLU N N 77 124.833 124.833 121.400 3.433 18018 6111 1 12 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.038 0.302 18018 6112 1 12 . 1 1 77 77 GLU C C 77 176.953 176.953 177.249 -0.296 18018 6113 1 12 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.003 0.308 18018 6114 1 12 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.926 -0.311 18018 6115 1 12 . 1 1 77 77 GLU H H 77 7.115 7.115 7.420 -0.305 18018 6116 1 12 . 1 1 78 78 GLY N N 78 118.193 118.193 113.538 4.655 18018 6117 1 12 . 1 1 78 78 GLY C C 78 173.075 173.075 174.972 -1.897 18018 6118 1 12 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.576 -0.471 18018 6119 1 12 . 1 1 78 78 GLY H H 78 9.371 9.371 8.333 1.038 18018 6120 1 12 . 1 1 79 79 LYS N N 79 120.237 120.237 118.748 1.489 18018 6121 1 12 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.424 0.207 18018 6122 1 12 . 1 1 79 79 LYS C C 79 175.050 175.050 175.920 -0.870 18018 6123 1 12 . 1 1 79 79 LYS CA C 79 55.225 55.225 55.968 -0.743 18018 6124 1 12 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.673 -0.611 18018 6125 1 12 . 1 1 79 79 LYS H H 79 8.799 8.799 8.304 0.495 18018 6126 1 12 . 1 1 80 80 ALA N N 80 121.135 121.135 122.587 -1.452 18018 6127 1 12 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.605 0.259 18018 6128 1 12 . 1 1 80 80 ALA C C 80 174.051 174.051 175.524 -1.473 18018 6129 1 12 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.273 -0.402 18018 6130 1 12 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.524 -0.397 18018 6131 1 12 . 1 1 80 80 ALA H H 80 8.126 8.126 7.793 0.333 18018 6132 1 12 . 1 1 81 81 ASP N N 81 121.569 121.569 124.534 -2.965 18018 6133 1 12 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.769 0.100 18018 6134 1 12 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.954 -2.985 18018 6135 1 12 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.414 -1.128 18018 6136 1 12 . 1 1 81 81 ASP H H 81 8.283 8.283 8.124 0.159 18018 6137 1 12 . 1 1 82 82 GLU N N 82 120.044 120.044 121.892 -1.848 18018 6138 1 12 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.432 -0.266 18018 6139 1 12 . 1 1 82 82 GLU C C 82 177.350 177.350 178.685 -1.335 18018 6140 1 12 . 1 1 82 82 GLU CA C 82 60.218 60.218 61.078 -0.860 18018 6141 1 12 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.672 -1.047 18018 6142 1 12 . 1 1 82 82 GLU H H 82 8.891 8.891 8.870 0.021 18018 6143 1 12 . 1 1 83 83 GLU N N 83 119.348 119.348 117.379 1.969 18018 6144 1 12 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.068 0.079 18018 6145 1 12 . 1 1 83 83 GLU C C 83 178.794 178.794 178.854 -0.060 18018 6146 1 12 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.995 -0.913 18018 6147 1 12 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.290 -0.915 18018 6148 1 12 . 1 1 83 83 GLU H H 83 8.827 8.827 8.980 -0.153 18018 6149 1 12 . 1 1 84 84 THR N N 84 119.678 119.678 115.743 3.935 18018 6150 1 12 . 1 1 84 84 THR HA H 84 4.131 4.131 4.109 0.022 18018 6151 1 12 . 1 1 84 84 THR C C 84 176.165 176.165 176.587 -0.422 18018 6152 1 12 . 1 1 84 84 THR CA C 84 66.422 66.422 66.975 -0.553 18018 6153 1 12 . 1 1 84 84 THR CB C 84 65.645 65.645 68.749 -3.104 18018 6154 1 12 . 1 1 84 84 THR H H 84 8.552 8.552 7.375 1.177 18018 6155 1 12 . 1 1 85 85 ILE N N 85 123.677 123.677 122.791 0.886 18018 6156 1 12 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.760 0.059 18018 6157 1 12 . 1 1 85 85 ILE C C 85 174.809 174.809 177.915 -3.106 18018 6158 1 12 . 1 1 85 85 ILE CA C 85 65.583 65.583 65.997 -0.414 18018 6159 1 12 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.746 0.744 18018 6160 1 12 . 1 1 85 85 ILE H H 85 8.571 8.571 8.630 -0.059 18018 6161 1 12 . 1 1 86 86 ARG N N 86 119.556 119.556 118.885 0.671 18018 6162 1 12 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.082 0.089 18018 6163 1 12 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.309 0.310 18018 6164 1 12 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.737 -0.879 18018 6165 1 12 . 1 1 86 86 ARG H H 86 9.093 9.093 8.691 0.402 18018 6166 1 12 . 1 1 87 87 ALA N N 87 121.431 121.431 123.256 -1.825 18018 6167 1 12 . 1 1 87 87 ALA HA H 87 4.288 4.288 3.950 0.338 18018 6168 1 12 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.378 -1.223 18018 6169 1 12 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.252 -1.180 18018 6170 1 12 . 1 1 87 87 ALA H H 87 8.206 8.206 8.061 0.145 18018 6171 1 12 . 1 1 88 88 LYS N N 88 122.850 122.850 118.498 4.352 18018 6172 1 12 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.705 0.277 18018 6173 1 12 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.927 -3.054 18018 6174 1 12 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.663 -1.839 18018 6175 1 12 . 1 1 88 88 LYS H H 88 8.145 8.145 7.758 0.387 18018 6176 1 12 . 1 1 89 89 MET N N 89 118.786 118.786 119.380 -0.594 18018 6177 1 12 . 1 1 89 89 MET HA H 89 3.810 3.810 4.075 -0.265 18018 6178 1 12 . 1 1 89 89 MET CA C 89 60.096 60.096 58.051 2.045 18018 6179 1 12 . 1 1 89 89 MET CB C 89 32.329 32.329 32.284 0.045 18018 6180 1 12 . 1 1 89 89 MET H H 89 8.468 8.468 8.040 0.428 18018 6181 1 12 . 1 1 90 90 VAL N N 90 120.770 120.770 119.121 1.649 18018 6182 1 12 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.519 0.308 18018 6183 1 12 . 1 1 90 90 VAL C C 90 178.017 178.017 178.447 -0.430 18018 6184 1 12 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.531 -0.906 18018 6185 1 12 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.721 0.018 18018 6186 1 12 . 1 1 90 90 VAL H H 90 7.504 7.504 7.934 -0.430 18018 6187 1 12 . 1 1 91 91 GLU N N 91 124.409 124.409 118.487 5.922 18018 6188 1 12 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.084 -0.296 18018 6189 1 12 . 1 1 91 91 GLU C C 91 177.612 177.612 178.178 -0.566 18018 6190 1 12 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.781 -0.366 18018 6191 1 12 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.176 2.268 18018 6192 1 12 . 1 1 91 91 GLU H H 91 8.486 8.486 8.514 -0.028 18018 6193 1 12 . 1 1 92 92 LEU N N 92 114.680 114.680 118.304 -3.624 18018 6194 1 12 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.464 -0.074 18018 6195 1 12 . 1 1 92 92 LEU C C 92 177.928 177.928 178.519 -0.591 18018 6196 1 12 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.508 0.126 18018 6197 1 12 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.073 -1.732 18018 6198 1 12 . 1 1 92 92 LEU H H 92 8.823 8.823 7.596 1.226 18018 6199 1 12 . 1 1 93 93 ARG N N 93 123.603 123.603 121.673 1.930 18018 6200 1 12 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.061 -0.118 18018 6201 1 12 . 1 1 93 93 ARG C C 93 176.350 176.350 177.972 -1.622 18018 6202 1 12 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.546 1.035 18018 6203 1 12 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.331 -0.428 18018 6204 1 12 . 1 1 93 93 ARG H H 93 7.690 7.690 8.333 -0.643 18018 6205 1 12 . 1 1 94 94 ALA N N 94 122.480 122.480 119.995 2.485 18018 6206 1 12 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.185 0.076 18018 6207 1 12 . 1 1 94 94 ALA C C 94 179.805 179.805 179.684 0.121 18018 6208 1 12 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.882 -0.353 18018 6209 1 12 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.070 -1.134 18018 6210 1 12 . 1 1 94 94 ALA H H 94 7.269 7.269 7.860 -0.591 18018 6211 1 12 . 1 1 95 95 THR N N 95 116.936 116.936 115.763 1.173 18018 6212 1 12 . 1 1 95 95 THR HA H 95 4.045 4.045 3.870 0.175 18018 6213 1 12 . 1 1 95 95 THR C C 95 175.007 175.007 176.181 -1.174 18018 6214 1 12 . 1 1 95 95 THR CA C 95 65.569 65.569 67.454 -1.885 18018 6215 1 12 . 1 1 95 95 THR CB C 95 68.334 68.334 68.342 -0.008 18018 6216 1 12 . 1 1 95 95 THR H H 95 8.282 8.282 8.098 0.184 18018 6217 1 12 . 1 1 96 96 ALA N N 96 124.095 124.095 123.989 0.106 18018 6218 1 12 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.968 -0.106 18018 6219 1 12 . 1 1 96 96 ALA C C 96 178.184 178.184 179.238 -1.054 18018 6220 1 12 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.986 -0.237 18018 6221 1 12 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.258 0.512 18018 6222 1 12 . 1 1 96 96 ALA H H 96 8.681 8.681 7.837 0.844 18018 6223 1 12 . 1 1 97 97 ARG N N 97 117.328 117.328 117.737 -0.409 18018 6224 1 12 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.870 -0.084 18018 6225 1 12 . 1 1 97 97 ARG C C 97 176.770 176.770 178.047 -1.277 18018 6226 1 12 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.418 0.143 18018 6227 1 12 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.085 -0.469 18018 6228 1 12 . 1 1 97 97 ARG H H 97 8.070 8.070 7.743 0.327 18018 6229 1 12 . 1 1 98 98 GLU N N 98 118.245 118.245 118.595 -0.350 18018 6230 1 12 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.361 -0.246 18018 6231 1 12 . 1 1 98 98 GLU C C 98 178.865 178.865 178.809 0.056 18018 6232 1 12 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.266 0.223 18018 6233 1 12 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.876 -1.364 18018 6234 1 12 . 1 1 98 98 GLU H H 98 7.855 7.855 7.782 0.073 18018 6235 1 12 . 1 1 99 99 GLN N N 99 119.735 119.735 119.761 -0.026 18018 6236 1 12 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.034 0.137 18018 6237 1 12 . 1 1 99 99 GLN C C 99 178.146 178.146 178.616 -0.470 18018 6238 1 12 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.707 -0.462 18018 6239 1 12 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.420 -1.326 18018 6240 1 12 . 1 1 99 99 GLN H H 99 8.312 8.312 8.357 -0.045 18018 6241 1 12 . 1 1 100 100 ILE N N 100 119.864 119.864 120.217 -0.353 18018 6242 1 12 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.668 0.282 18018 6243 1 12 . 1 1 100 100 ILE C C 100 178.315 178.315 178.134 0.181 18018 6244 1 12 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.620 -3.016 18018 6245 1 12 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.825 -1.329 18018 6246 1 12 . 1 1 100 100 ILE H H 100 8.445 8.445 7.607 0.838 18018 6247 1 12 . 1 1 101 101 ILE N N 101 120.514 120.514 119.417 1.097 18018 6248 1 12 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.762 0.250 18018 6249 1 12 . 1 1 101 101 ILE C C 101 177.006 177.006 177.976 -0.970 18018 6250 1 12 . 1 1 101 101 ILE CA C 101 62.977 62.977 64.431 -1.454 18018 6251 1 12 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.575 -0.914 18018 6252 1 12 . 1 1 101 101 ILE H H 101 8.329 8.329 7.847 0.482 18018 6253 1 12 . 1 1 102 102 SER N N 102 116.172 116.172 115.042 1.130 18018 6254 1 12 . 1 1 102 102 SER HA H 102 4.562 4.562 4.198 0.364 18018 6255 1 12 . 1 1 102 102 SER C C 102 173.845 173.845 176.149 -2.304 18018 6256 1 12 . 1 1 102 102 SER CA C 102 59.502 59.502 61.163 -1.661 18018 6257 1 12 . 1 1 102 102 SER CB C 102 63.012 63.012 63.365 -0.353 18018 6258 1 12 . 1 1 102 102 SER H H 102 7.882 7.882 7.812 0.070 18018 6259 1 12 . 1 1 103 103 GLU N N 103 122.642 122.642 120.390 2.252 18018 6260 1 12 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.285 0.155 18018 6261 1 12 . 1 1 103 103 GLU C C 103 175.095 175.095 176.992 -1.897 18018 6262 1 12 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.687 -1.059 18018 6263 1 12 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.215 -0.402 18018 6264 1 12 . 1 1 103 103 GLU H H 103 7.735 7.735 7.620 0.115 18018 6265 1 13 . 1 1 4 4 PHE N N 4 122.548 122.548 123.425 -0.877 18018 6266 1 13 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.730 -0.047 18018 6267 1 13 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.659 -0.052 18018 6268 1 13 . 1 1 4 4 PHE CB C 4 38.895 38.895 40.876 -1.981 18018 6269 1 13 . 1 1 4 4 PHE H H 4 8.328 8.328 8.196 0.132 18018 6270 1 13 . 1 1 7 7 ARG N N 7 121.962 121.962 121.987 -0.025 18018 6271 1 13 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.171 0.085 18018 6272 1 13 . 1 1 7 7 ARG C C 7 176.683 176.683 176.636 0.047 18018 6273 1 13 . 1 1 7 7 ARG CA C 7 57.087 57.087 56.283 0.804 18018 6274 1 13 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.819 -0.457 18018 6275 1 13 . 1 1 7 7 ARG H H 7 8.321 8.321 8.422 -0.101 18018 6276 1 13 . 1 1 8 8 GLU N N 8 121.095 121.095 122.343 -1.248 18018 6277 1 13 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.188 0.063 18018 6278 1 13 . 1 1 8 8 GLU C C 8 176.964 176.964 176.073 0.891 18018 6279 1 13 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.597 -0.664 18018 6280 1 13 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.834 -0.979 18018 6281 1 13 . 1 1 8 8 GLU H H 8 8.388 8.388 8.199 0.189 18018 6282 1 13 . 1 1 9 9 ARG N N 9 121.310 121.310 122.076 -0.766 18018 6283 1 13 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.039 0.301 18018 6284 1 13 . 1 1 9 9 ARG C C 9 176.563 176.563 175.342 1.221 18018 6285 1 13 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.312 -0.899 18018 6286 1 13 . 1 1 9 9 ARG CB C 9 29.669 29.669 27.784 1.885 18018 6287 1 13 . 1 1 9 9 ARG H H 9 8.268 8.268 8.956 -0.688 18018 6288 1 13 . 1 1 10 10 ALA N N 10 124.224 124.224 119.335 4.889 18018 6289 1 13 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.527 -0.209 18018 6290 1 13 . 1 1 10 10 ALA C C 10 178.129 178.129 177.048 1.081 18018 6291 1 13 . 1 1 10 10 ALA CA C 10 52.947 52.947 53.291 -0.344 18018 6292 1 13 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.666 -2.910 18018 6293 1 13 . 1 1 10 10 ALA H H 10 8.222 8.222 7.641 0.581 18018 6294 1 13 . 1 1 11 11 HIS N N 11 118.081 118.081 114.891 3.190 18018 6295 1 13 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.821 -0.122 18018 6296 1 13 . 1 1 11 11 HIS C C 11 175.013 175.013 176.234 -1.221 18018 6297 1 13 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.740 -0.485 18018 6298 1 13 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.607 -2.840 18018 6299 1 13 . 1 1 11 11 HIS H H 11 8.486 8.486 8.207 0.279 18018 6300 1 13 . 1 1 12 12 GLU N N 12 121.492 121.492 118.436 3.056 18018 6301 1 13 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.196 0.082 18018 6302 1 13 . 1 1 12 12 GLU C C 12 176.808 176.808 176.445 0.363 18018 6303 1 13 . 1 1 12 12 GLU CA C 12 57.621 57.621 56.727 0.894 18018 6304 1 13 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.201 -0.348 18018 6305 1 13 . 1 1 12 12 GLU H H 12 8.370 8.370 8.476 -0.106 18018 6306 1 13 . 1 1 13 13 ALA N N 13 123.583 123.583 121.870 1.713 18018 6307 1 13 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.500 -0.196 18018 6308 1 13 . 1 1 13 13 ALA C C 13 178.197 178.197 177.857 0.340 18018 6309 1 13 . 1 1 13 13 ALA CA C 13 54.051 54.051 52.385 1.666 18018 6310 1 13 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.424 -1.636 18018 6311 1 13 . 1 1 13 13 ALA H H 13 8.426 8.426 8.405 0.021 18018 6312 1 13 . 1 1 14 14 LYS N N 14 119.772 119.772 119.825 -0.053 18018 6313 1 13 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.974 0.244 18018 6314 1 13 . 1 1 14 14 LYS C C 14 176.757 176.757 178.480 -1.723 18018 6315 1 13 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.057 -1.947 18018 6316 1 13 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.416 -0.673 18018 6317 1 13 . 1 1 14 14 LYS H H 14 8.073 8.073 8.300 -0.227 18018 6318 1 13 . 1 1 15 15 PHE N N 15 118.073 118.073 117.670 0.403 18018 6319 1 13 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.510 -0.066 18018 6320 1 13 . 1 1 15 15 PHE C C 15 175.635 175.635 177.500 -1.865 18018 6321 1 13 . 1 1 15 15 PHE CA C 15 59.001 59.001 61.051 -2.050 18018 6322 1 13 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.645 -0.154 18018 6323 1 13 . 1 1 15 15 PHE H H 15 7.926 7.926 8.399 -0.473 18018 6324 1 13 . 1 1 16 16 ALA N N 16 122.453 122.453 119.798 2.655 18018 6325 1 13 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.230 0.076 18018 6326 1 13 . 1 1 16 16 ALA C C 16 177.641 177.641 177.746 -0.105 18018 6327 1 13 . 1 1 16 16 ALA CA C 16 53.052 53.052 53.975 -0.923 18018 6328 1 13 . 1 1 16 16 ALA CB C 16 18.021 18.021 17.707 0.314 18018 6329 1 13 . 1 1 16 16 ALA H H 16 8.137 8.137 8.617 -0.480 18018 6330 1 13 . 1 1 17 17 HIS N N 17 115.587 115.587 116.831 -1.244 18018 6331 1 13 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.566 0.259 18018 6332 1 13 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.049 -0.954 18018 6333 1 13 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.422 -0.464 18018 6334 1 13 . 1 1 17 17 HIS H H 17 8.051 8.051 8.129 -0.078 18018 6335 1 13 . 1 1 18 18 ASP N N 18 121.432 121.432 119.777 1.655 18018 6336 1 13 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.414 0.376 18018 6337 1 13 . 1 1 18 18 ASP CA C 18 53.582 53.582 56.256 -2.674 18018 6338 1 13 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.247 0.540 18018 6339 1 13 . 1 1 18 18 ASP H H 18 7.913 7.913 7.960 -0.047 18018 6340 1 13 . 1 1 19 19 ALA N N 19 126.983 126.983 120.774 6.209 18018 6341 1 13 . 1 1 19 19 ALA HA H 19 4.296 4.296 4.285 0.011 18018 6342 1 13 . 1 1 19 19 ALA CA C 19 54.047 54.047 53.889 0.158 18018 6343 1 13 . 1 1 19 19 ALA CB C 19 17.859 17.859 18.370 -0.511 18018 6344 1 13 . 1 1 19 19 ALA H H 19 8.599 8.599 8.726 -0.127 18018 6345 1 13 . 1 1 20 20 GLU N N 20 119.997 119.997 116.112 3.885 18018 6346 1 13 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.348 -0.019 18018 6347 1 13 . 1 1 20 20 GLU CA C 20 58.378 58.378 57.163 1.216 18018 6348 1 13 . 1 1 20 20 GLU CB C 20 28.877 28.877 30.425 -1.548 18018 6349 1 13 . 1 1 20 20 GLU H H 20 8.377 8.377 8.254 0.123 18018 6350 1 13 . 1 1 21 21 LEU N N 21 122.484 122.484 121.484 1.000 18018 6351 1 13 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.300 -0.137 18018 6352 1 13 . 1 1 21 21 LEU CA C 21 57.125 57.125 59.356 -2.231 18018 6353 1 13 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.735 -0.705 18018 6354 1 13 . 1 1 21 21 LEU H H 21 8.117 8.117 8.150 -0.033 18018 6355 1 13 . 1 1 22 22 ASN N N 22 117.879 117.879 115.973 1.906 18018 6356 1 13 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.431 0.261 18018 6357 1 13 . 1 1 22 22 ASN CA C 22 56.338 56.338 55.803 0.535 18018 6358 1 13 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.844 2.294 18018 6359 1 13 . 1 1 22 22 ASN H H 22 8.507 8.507 8.753 -0.246 18018 6360 1 13 . 1 1 23 23 PHE N N 23 121.096 121.096 119.511 1.585 18018 6361 1 13 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.544 -0.081 18018 6362 1 13 . 1 1 23 23 PHE CA C 23 60.239 60.239 60.810 -0.571 18018 6363 1 13 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.508 -1.476 18018 6364 1 13 . 1 1 23 23 PHE H H 23 8.465 8.465 8.115 0.350 18018 6365 1 13 . 1 1 24 24 LYS N N 24 120.580 120.580 119.975 0.605 18018 6366 1 13 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.900 0.271 18018 6367 1 13 . 1 1 24 24 LYS C C 24 179.309 179.309 178.737 0.572 18018 6368 1 13 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.809 0.232 18018 6369 1 13 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.834 0.553 18018 6370 1 13 . 1 1 24 24 LYS H H 24 8.427 8.427 7.966 0.461 18018 6371 1 13 . 1 1 25 25 ALA N N 25 123.682 123.682 118.873 4.809 18018 6372 1 13 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.247 -0.126 18018 6373 1 13 . 1 1 25 25 ALA C C 25 178.243 178.243 177.562 0.681 18018 6374 1 13 . 1 1 25 25 ALA CA C 25 54.465 54.465 52.979 1.486 18018 6375 1 13 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.030 -0.331 18018 6376 1 13 . 1 1 25 25 ALA H H 25 8.768 8.768 7.867 0.901 18018 6377 1 13 . 1 1 26 26 GLU N N 26 122.051 122.051 119.384 2.667 18018 6378 1 13 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.242 -0.221 18018 6379 1 13 . 1 1 26 26 GLU C C 26 177.265 177.265 178.335 -1.070 18018 6380 1 13 . 1 1 26 26 GLU CA C 26 58.461 58.461 58.807 -0.346 18018 6381 1 13 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.797 -1.035 18018 6382 1 13 . 1 1 26 26 GLU H H 26 8.532 8.532 8.219 0.313 18018 6383 1 13 . 1 1 27 27 ALA N N 27 122.124 122.124 121.654 0.470 18018 6384 1 13 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.106 0.219 18018 6385 1 13 . 1 1 27 27 ALA C C 27 180.552 180.552 179.629 0.923 18018 6386 1 13 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.806 -0.637 18018 6387 1 13 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.059 -0.950 18018 6388 1 13 . 1 1 27 27 ALA H H 27 8.048 8.048 8.452 -0.404 18018 6389 1 13 . 1 1 28 28 ARG N N 28 120.501 120.501 117.400 3.101 18018 6390 1 13 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.156 0.256 18018 6391 1 13 . 1 1 28 28 ARG C C 28 176.309 176.309 178.317 -2.008 18018 6392 1 13 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.881 -2.912 18018 6393 1 13 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.513 -3.598 18018 6394 1 13 . 1 1 28 28 ARG H H 28 8.046 8.046 7.706 0.340 18018 6395 1 13 . 1 1 29 29 ARG N N 29 122.842 122.842 119.465 3.377 18018 6396 1 13 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.043 -0.345 18018 6397 1 13 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.505 -0.089 18018 6398 1 13 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.267 -1.119 18018 6399 1 13 . 1 1 29 29 ARG H H 29 8.908 8.908 8.016 0.892 18018 6400 1 13 . 1 1 30 30 ASN N N 30 120.150 120.150 117.909 2.241 18018 6401 1 13 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.448 0.186 18018 6402 1 13 . 1 1 30 30 ASN C C 30 175.888 175.888 177.280 -1.392 18018 6403 1 13 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.425 -1.018 18018 6404 1 13 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.992 -2.057 18018 6405 1 13 . 1 1 30 30 ASN H H 30 8.402 8.402 7.727 0.675 18018 6406 1 13 . 1 1 31 31 ARG N N 31 123.400 123.400 120.807 2.593 18018 6407 1 13 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.122 0.160 18018 6408 1 13 . 1 1 31 31 ARG C C 31 177.804 177.804 178.658 -0.854 18018 6409 1 13 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.634 0.316 18018 6410 1 13 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.831 -0.710 18018 6411 1 13 . 1 1 31 31 ARG H H 31 7.996 7.996 7.650 0.346 18018 6412 1 13 . 1 1 32 32 LEU N N 32 119.872 119.872 119.964 -0.092 18018 6413 1 13 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.098 0.193 18018 6414 1 13 . 1 1 32 32 LEU C C 32 180.602 180.602 179.914 0.688 18018 6415 1 13 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.241 -0.995 18018 6416 1 13 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.633 -0.463 18018 6417 1 13 . 1 1 32 32 LEU H H 32 8.742 8.742 8.290 0.452 18018 6418 1 13 . 1 1 33 33 LEU N N 33 124.468 124.468 118.881 5.587 18018 6419 1 13 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.320 -0.019 18018 6420 1 13 . 1 1 33 33 LEU C C 33 177.992 177.992 179.045 -1.053 18018 6421 1 13 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.863 -0.848 18018 6422 1 13 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.764 0.475 18018 6423 1 13 . 1 1 33 33 LEU H H 33 9.249 9.249 8.552 0.697 18018 6424 1 13 . 1 1 34 34 GLY N N 34 109.045 109.045 107.927 1.118 18018 6425 1 13 . 1 1 34 34 GLY C C 34 174.530 174.530 175.856 -1.326 18018 6426 1 13 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.730 -0.283 18018 6427 1 13 . 1 1 34 34 GLY H H 34 8.873 8.873 8.395 0.478 18018 6428 1 13 . 1 1 35 35 GLU N N 35 123.414 123.414 121.602 1.812 18018 6429 1 13 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.194 -0.017 18018 6430 1 13 . 1 1 35 35 GLU C C 35 178.866 178.866 178.768 0.098 18018 6431 1 13 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.057 0.974 18018 6432 1 13 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.238 -0.275 18018 6433 1 13 . 1 1 35 35 GLU H H 35 8.920 8.920 8.380 0.540 18018 6434 1 13 . 1 1 36 36 TRP N N 36 124.774 124.774 123.159 1.615 18018 6435 1 13 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.281 0.302 18018 6436 1 13 . 1 1 36 36 TRP C C 36 177.618 177.618 177.844 -0.226 18018 6437 1 13 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.297 -0.679 18018 6438 1 13 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.405 -2.812 18018 6439 1 13 . 1 1 36 36 TRP H H 36 8.510 8.510 7.447 1.063 18018 6440 1 13 . 1 1 37 37 ALA N N 37 123.777 123.777 121.021 2.756 18018 6441 1 13 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.108 0.269 18018 6442 1 13 . 1 1 37 37 ALA C C 37 177.427 177.427 179.027 -1.600 18018 6443 1 13 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.494 -0.645 18018 6444 1 13 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.599 1.447 18018 6445 1 13 . 1 1 37 37 ALA H H 37 9.122 9.122 8.460 0.662 18018 6446 1 13 . 1 1 38 38 ALA N N 38 119.259 119.259 120.394 -1.135 18018 6447 1 13 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.087 0.407 18018 6448 1 13 . 1 1 38 38 ALA C C 38 178.670 178.670 179.071 -0.401 18018 6449 1 13 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.788 -0.345 18018 6450 1 13 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.154 -0.465 18018 6451 1 13 . 1 1 38 38 ALA H H 38 8.772 8.772 8.521 0.251 18018 6452 1 13 . 1 1 39 39 GLY N N 39 104.027 104.027 103.754 0.273 18018 6453 1 13 . 1 1 39 39 GLY C C 39 177.232 177.232 175.916 1.316 18018 6454 1 13 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.836 0.586 18018 6455 1 13 . 1 1 39 39 GLY H H 39 7.733 7.733 7.788 -0.055 18018 6456 1 13 . 1 1 40 40 LEU N N 40 125.448 125.448 120.644 4.804 18018 6457 1 13 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.172 -0.087 18018 6458 1 13 . 1 1 40 40 LEU C C 40 178.203 178.203 177.547 0.656 18018 6459 1 13 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.819 0.899 18018 6460 1 13 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.121 -0.782 18018 6461 1 13 . 1 1 40 40 LEU H H 40 7.492 7.492 7.413 0.079 18018 6462 1 13 . 1 1 41 41 LEU N N 41 117.234 117.234 115.360 1.874 18018 6463 1 13 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.972 0.135 18018 6464 1 13 . 1 1 41 41 LEU C C 41 176.119 176.119 177.832 -1.713 18018 6465 1 13 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.064 -2.182 18018 6466 1 13 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.987 -0.334 18018 6467 1 13 . 1 1 41 41 LEU H H 41 7.676 7.676 7.644 0.032 18018 6468 1 13 . 1 1 42 42 GLY N N 42 109.595 109.595 102.838 6.757 18018 6469 1 13 . 1 1 42 42 GLY C C 42 173.775 173.775 174.746 -0.971 18018 6470 1 13 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.530 0.718 18018 6471 1 13 . 1 1 42 42 GLY H H 42 7.869 7.869 7.511 0.358 18018 6472 1 13 . 1 1 43 43 LYS N N 43 119.965 119.965 121.941 -1.976 18018 6473 1 13 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.455 0.257 18018 6474 1 13 . 1 1 43 43 LYS C C 43 175.246 175.246 175.822 -0.576 18018 6475 1 13 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.953 -1.183 18018 6476 1 13 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.313 0.458 18018 6477 1 13 . 1 1 43 43 LYS H H 43 8.079 8.079 8.005 0.074 18018 6478 1 13 . 1 1 44 44 THR N N 44 114.199 114.199 109.203 4.996 18018 6479 1 13 . 1 1 44 44 THR HA H 44 4.749 4.749 4.391 0.358 18018 6480 1 13 . 1 1 44 44 THR C C 44 174.392 174.392 175.085 -0.693 18018 6481 1 13 . 1 1 44 44 THR CA C 44 58.992 58.992 60.836 -1.844 18018 6482 1 13 . 1 1 44 44 THR CB C 44 71.762 71.762 72.564 -0.802 18018 6483 1 13 . 1 1 44 44 THR H H 44 8.934 8.934 8.039 0.895 18018 6484 1 13 . 1 1 45 45 GLY N N 45 109.657 109.657 114.699 -5.042 18018 6485 1 13 . 1 1 45 45 GLY C C 45 175.330 175.330 174.402 0.928 18018 6486 1 13 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.715 -0.570 18018 6487 1 13 . 1 1 45 45 GLY H H 45 8.862 8.862 8.615 0.247 18018 6488 1 13 . 1 1 46 46 ASP N N 46 128.403 128.403 122.905 5.498 18018 6489 1 13 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.836 -0.303 18018 6490 1 13 . 1 1 46 46 ASP C C 46 177.343 177.343 177.398 -0.055 18018 6491 1 13 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.193 2.292 18018 6492 1 13 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.758 -1.880 18018 6493 1 13 . 1 1 46 46 ASP H H 46 9.283 9.283 8.158 1.125 18018 6494 1 13 . 1 1 47 47 ASP N N 47 121.367 121.367 121.560 -0.193 18018 6495 1 13 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.363 0.273 18018 6496 1 13 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.715 -1.575 18018 6497 1 13 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.959 -0.982 18018 6498 1 13 . 1 1 47 47 ASP H H 47 8.488 8.488 8.083 0.405 18018 6499 1 13 . 1 1 48 48 ALA N N 48 123.210 123.210 121.044 2.166 18018 6500 1 13 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.000 -0.083 18018 6501 1 13 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.297 -1.250 18018 6502 1 13 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.767 -2.125 18018 6503 1 13 . 1 1 48 48 ALA H H 48 7.235 7.235 7.601 -0.366 18018 6504 1 13 . 1 1 49 49 ARG N N 49 120.088 120.088 119.278 0.810 18018 6505 1 13 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.049 0.059 18018 6506 1 13 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.859 -0.159 18018 6507 1 13 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.077 -0.512 18018 6508 1 13 . 1 1 49 49 ARG H H 49 7.777 7.777 7.969 -0.192 18018 6509 1 13 . 1 1 50 50 ALA N N 50 120.988 120.988 122.003 -1.015 18018 6510 1 13 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.034 0.157 18018 6511 1 13 . 1 1 50 50 ALA CA C 50 54.083 54.083 55.080 -0.997 18018 6512 1 13 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.350 -1.071 18018 6513 1 13 . 1 1 50 50 ALA H H 50 8.350 8.350 8.242 0.108 18018 6514 1 13 . 1 1 51 51 TYR N N 51 119.264 119.264 121.042 -1.778 18018 6515 1 13 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.035 0.166 18018 6516 1 13 . 1 1 51 51 TYR C C 51 178.335 178.335 177.183 1.152 18018 6517 1 13 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.291 -0.204 18018 6518 1 13 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.412 -0.572 18018 6519 1 13 . 1 1 51 51 TYR H H 51 8.054 8.054 8.246 -0.192 18018 6520 1 13 . 1 1 52 52 ALA N N 52 124.002 124.002 118.562 5.440 18018 6521 1 13 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.320 -0.453 18018 6522 1 13 . 1 1 52 52 ALA C C 52 178.352 178.352 176.498 1.854 18018 6523 1 13 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.359 1.711 18018 6524 1 13 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.562 -1.727 18018 6525 1 13 . 1 1 52 52 ALA H H 52 8.611 8.611 8.312 0.299 18018 6526 1 13 . 1 1 53 53 LEU N N 53 116.323 116.323 116.542 -0.219 18018 6527 1 13 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.648 -0.364 18018 6528 1 13 . 1 1 53 53 LEU C C 53 177.452 177.452 176.743 0.709 18018 6529 1 13 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.435 1.427 18018 6530 1 13 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.282 -0.007 18018 6531 1 13 . 1 1 53 53 LEU H H 53 7.591 7.591 7.778 -0.187 18018 6532 1 13 . 1 1 54 54 THR N N 54 110.782 110.782 112.782 -2.000 18018 6533 1 13 . 1 1 54 54 THR HA H 54 4.392 4.392 4.452 -0.060 18018 6534 1 13 . 1 1 54 54 THR CA C 54 62.390 62.390 63.272 -0.882 18018 6535 1 13 . 1 1 54 54 THR H H 54 7.947 7.947 7.811 0.136 18018 6536 1 13 . 1 1 55 55 VAL N N 55 123.763 123.763 120.367 3.396 18018 6537 1 13 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.196 -0.314 18018 6538 1 13 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.488 0.256 18018 6539 1 13 . 1 1 55 55 VAL CB C 55 29.871 29.871 30.110 -0.239 18018 6540 1 13 . 1 1 55 55 VAL H H 55 7.171 7.171 8.204 -1.033 18018 6541 1 13 . 1 1 56 56 VAL N N 56 118.917 118.917 119.798 -0.881 18018 6542 1 13 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.490 -0.100 18018 6543 1 13 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.841 -2.061 18018 6544 1 13 . 1 1 56 56 VAL CB C 56 33.490 33.490 32.434 1.056 18018 6545 1 13 . 1 1 56 56 VAL H H 56 7.409 7.409 7.754 -0.345 18018 6546 1 13 . 1 1 57 57 THR N N 57 115.599 115.599 119.621 -4.022 18018 6547 1 13 . 1 1 57 57 THR HA H 57 4.532 4.532 4.558 -0.026 18018 6548 1 13 . 1 1 57 57 THR CA C 57 60.614 60.614 61.928 -1.314 18018 6549 1 13 . 1 1 57 57 THR CB C 57 68.892 68.892 69.725 -0.833 18018 6550 1 13 . 1 1 57 57 THR H H 57 7.916 7.916 8.503 -0.587 18018 6551 1 13 . 1 1 58 58 SER N N 58 120.007 120.007 118.969 1.038 18018 6552 1 13 . 1 1 58 58 SER HA H 58 4.547 4.547 4.485 0.062 18018 6553 1 13 . 1 1 58 58 SER CA C 58 57.770 57.770 57.645 0.126 18018 6554 1 13 . 1 1 58 58 SER CB C 58 63.162 63.162 64.029 -0.867 18018 6555 1 13 . 1 1 58 58 SER H H 58 8.580 8.580 8.159 0.421 18018 6556 1 13 . 1 1 59 59 ASP N N 59 122.731 122.731 119.966 2.765 18018 6557 1 13 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.283 0.407 18018 6558 1 13 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.222 -0.766 18018 6559 1 13 . 1 1 59 59 ASP CB C 59 40.748 40.748 40.806 -0.057 18018 6560 1 13 . 1 1 59 59 ASP H H 59 8.399 8.399 8.402 -0.003 18018 6561 1 13 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.393 -0.225 18018 6562 1 13 . 1 1 60 60 PHE CA C 60 60.054 60.054 57.662 2.392 18018 6563 1 13 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.245 -3.432 18018 6564 1 13 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.485 0.111 18018 6565 1 13 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.523 0.425 18018 6566 1 13 . 1 1 63 63 PRO CB C 63 31.527 31.527 30.270 1.257 18018 6567 1 13 . 1 1 64 64 GLY N N 64 110.688 110.688 111.949 -1.261 18018 6568 1 13 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.933 -0.263 18018 6569 1 13 . 1 1 64 64 GLY H H 64 8.725 8.725 8.437 0.288 18018 6570 1 13 . 1 1 65 65 ASP N N 65 122.028 122.028 124.691 -2.663 18018 6571 1 13 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.750 -0.087 18018 6572 1 13 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.791 -0.026 18018 6573 1 13 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.669 -1.207 18018 6574 1 13 . 1 1 65 65 ASP H H 65 8.649 8.649 8.008 0.641 18018 6575 1 13 . 1 1 67 67 ASP N N 67 120.095 120.095 120.346 -0.251 18018 6576 1 13 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.544 0.037 18018 6577 1 13 . 1 1 67 67 ASP CA C 67 56.553 56.553 57.448 -0.895 18018 6578 1 13 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.700 -0.830 18018 6579 1 13 . 1 1 67 67 ASP H H 67 8.181 8.181 8.347 -0.166 18018 6580 1 13 . 1 1 68 68 VAL N N 68 123.206 123.206 118.632 4.574 18018 6581 1 13 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.794 0.023 18018 6582 1 13 . 1 1 68 68 VAL CA C 68 65.715 65.715 66.292 -0.577 18018 6583 1 13 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.390 0.035 18018 6584 1 13 . 1 1 68 68 VAL H H 68 8.014 8.014 8.206 -0.192 18018 6585 1 13 . 1 1 69 69 PHE N N 69 120.318 120.318 122.174 -1.856 18018 6586 1 13 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.125 -0.003 18018 6587 1 13 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.937 -0.195 18018 6588 1 13 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.087 -0.845 18018 6589 1 13 . 1 1 69 69 PHE H H 69 8.501 8.501 7.297 1.204 18018 6590 1 13 . 1 1 70 70 ARG N N 70 117.820 117.820 119.283 -1.463 18018 6591 1 13 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.869 -0.157 18018 6592 1 13 . 1 1 70 70 ARG C C 70 178.813 178.813 178.614 0.199 18018 6593 1 13 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.527 -0.681 18018 6594 1 13 . 1 1 70 70 ARG CB C 70 29.782 29.782 30.228 -0.446 18018 6595 1 13 . 1 1 70 70 ARG H H 70 8.598 8.598 8.292 0.306 18018 6596 1 13 . 1 1 71 71 LYS N N 71 121.726 121.726 120.786 0.940 18018 6597 1 13 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.042 0.181 18018 6598 1 13 . 1 1 71 71 LYS C C 71 177.020 177.020 179.583 -2.563 18018 6599 1 13 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.370 -0.880 18018 6600 1 13 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.128 -0.242 18018 6601 1 13 . 1 1 71 71 LYS H H 71 7.658 7.658 7.917 -0.259 18018 6602 1 13 . 1 1 72 72 LEU N N 72 119.355 119.355 119.388 -0.033 18018 6603 1 13 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.139 -0.114 18018 6604 1 13 . 1 1 72 72 LEU C C 72 177.378 177.378 178.497 -1.119 18018 6605 1 13 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.239 -0.253 18018 6606 1 13 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.251 0.595 18018 6607 1 13 . 1 1 72 72 LEU H H 72 8.173 8.173 8.172 0.001 18018 6608 1 13 . 1 1 73 73 ALA N N 73 121.169 121.169 121.347 -0.178 18018 6609 1 13 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.953 -0.221 18018 6610 1 13 . 1 1 73 73 ALA C C 73 179.644 179.644 178.106 1.538 18018 6611 1 13 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.228 -0.404 18018 6612 1 13 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.252 -1.716 18018 6613 1 13 . 1 1 73 73 ALA H H 73 9.151 9.151 8.052 1.099 18018 6614 1 13 . 1 1 74 74 ALA N N 74 119.383 119.383 119.380 0.003 18018 6615 1 13 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.305 0.058 18018 6616 1 13 . 1 1 74 74 ALA C C 74 179.752 179.752 177.062 2.690 18018 6617 1 13 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.050 0.474 18018 6618 1 13 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.711 -1.067 18018 6619 1 13 . 1 1 74 74 ALA H H 74 7.379 7.379 7.602 -0.223 18018 6620 1 13 . 1 1 75 75 ASP N N 75 120.226 120.226 119.501 0.725 18018 6621 1 13 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.729 -0.234 18018 6622 1 13 . 1 1 75 75 ASP C C 75 177.704 177.704 177.513 0.191 18018 6623 1 13 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.142 0.845 18018 6624 1 13 . 1 1 75 75 ASP CB C 75 38.944 38.944 42.912 -3.968 18018 6625 1 13 . 1 1 75 75 ASP H H 75 8.474 8.474 7.581 0.893 18018 6626 1 13 . 1 1 76 76 LEU N N 76 115.468 115.468 120.815 -5.347 18018 6627 1 13 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.384 0.008 18018 6628 1 13 . 1 1 76 76 LEU C C 76 174.790 174.790 175.902 -1.112 18018 6629 1 13 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.062 -0.438 18018 6630 1 13 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.552 0.647 18018 6631 1 13 . 1 1 76 76 LEU H H 76 8.599 8.599 7.931 0.668 18018 6632 1 13 . 1 1 77 77 GLU N N 77 124.833 124.833 121.276 3.557 18018 6633 1 13 . 1 1 77 77 GLU HA H 77 4.340 4.340 3.993 0.347 18018 6634 1 13 . 1 1 77 77 GLU C C 77 176.953 176.953 177.440 -0.487 18018 6635 1 13 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.850 0.461 18018 6636 1 13 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.580 -0.965 18018 6637 1 13 . 1 1 77 77 GLU H H 77 7.115 7.115 7.241 -0.126 18018 6638 1 13 . 1 1 78 78 GLY N N 78 118.193 118.193 114.132 4.061 18018 6639 1 13 . 1 1 78 78 GLY C C 78 173.075 173.075 174.859 -1.784 18018 6640 1 13 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.944 -0.839 18018 6641 1 13 . 1 1 78 78 GLY H H 78 9.371 9.371 8.706 0.665 18018 6642 1 13 . 1 1 79 79 LYS N N 79 120.237 120.237 118.720 1.517 18018 6643 1 13 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.405 0.226 18018 6644 1 13 . 1 1 79 79 LYS C C 79 175.050 175.050 175.755 -0.705 18018 6645 1 13 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.059 -0.834 18018 6646 1 13 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.791 -0.729 18018 6647 1 13 . 1 1 79 79 LYS H H 79 8.799 8.799 8.180 0.619 18018 6648 1 13 . 1 1 80 80 ALA N N 80 121.135 121.135 122.180 -1.045 18018 6649 1 13 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.542 0.322 18018 6650 1 13 . 1 1 80 80 ALA C C 80 174.051 174.051 174.812 -0.761 18018 6651 1 13 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.746 -0.875 18018 6652 1 13 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.538 -0.411 18018 6653 1 13 . 1 1 80 80 ALA H H 80 8.126 8.126 7.987 0.139 18018 6654 1 13 . 1 1 81 81 ASP N N 81 121.569 121.569 124.130 -2.561 18018 6655 1 13 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.796 0.072 18018 6656 1 13 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.197 -2.228 18018 6657 1 13 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.182 -0.896 18018 6658 1 13 . 1 1 81 81 ASP H H 81 8.283 8.283 8.634 -0.351 18018 6659 1 13 . 1 1 82 82 GLU N N 82 120.044 120.044 121.356 -1.312 18018 6660 1 13 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.276 -0.110 18018 6661 1 13 . 1 1 82 82 GLU C C 82 177.350 177.350 178.781 -1.431 18018 6662 1 13 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.834 -0.616 18018 6663 1 13 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.691 -1.066 18018 6664 1 13 . 1 1 82 82 GLU H H 82 8.891 8.891 8.833 0.058 18018 6665 1 13 . 1 1 83 83 GLU N N 83 119.348 119.348 116.514 2.834 18018 6666 1 13 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.165 -0.018 18018 6667 1 13 . 1 1 83 83 GLU C C 83 178.794 178.794 177.558 1.236 18018 6668 1 13 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.581 0.501 18018 6669 1 13 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.559 -1.184 18018 6670 1 13 . 1 1 83 83 GLU H H 83 8.827 8.827 8.857 -0.030 18018 6671 1 13 . 1 1 84 84 THR N N 84 119.678 119.678 113.689 5.989 18018 6672 1 13 . 1 1 84 84 THR HA H 84 4.131 4.131 4.460 -0.329 18018 6673 1 13 . 1 1 84 84 THR C C 84 176.165 176.165 176.392 -0.227 18018 6674 1 13 . 1 1 84 84 THR CA C 84 66.422 66.422 64.177 2.245 18018 6675 1 13 . 1 1 84 84 THR CB C 84 65.645 65.645 70.558 -4.913 18018 6676 1 13 . 1 1 84 84 THR H H 84 8.552 8.552 7.869 0.683 18018 6677 1 13 . 1 1 85 85 ILE N N 85 123.677 123.677 124.247 -0.570 18018 6678 1 13 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.904 -0.085 18018 6679 1 13 . 1 1 85 85 ILE C C 85 174.809 174.809 177.921 -3.112 18018 6680 1 13 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.635 -1.052 18018 6681 1 13 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.805 0.685 18018 6682 1 13 . 1 1 85 85 ILE H H 85 8.571 8.571 8.935 -0.364 18018 6683 1 13 . 1 1 86 86 ARG N N 86 119.556 119.556 118.720 0.836 18018 6684 1 13 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.073 0.098 18018 6685 1 13 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.201 0.418 18018 6686 1 13 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.951 -1.093 18018 6687 1 13 . 1 1 86 86 ARG H H 86 9.093 9.093 8.404 0.689 18018 6688 1 13 . 1 1 87 87 ALA N N 87 121.431 121.431 122.443 -1.012 18018 6689 1 13 . 1 1 87 87 ALA HA H 87 4.288 4.288 3.950 0.338 18018 6690 1 13 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.282 -1.127 18018 6691 1 13 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.229 -1.157 18018 6692 1 13 . 1 1 87 87 ALA H H 87 8.206 8.206 7.715 0.491 18018 6693 1 13 . 1 1 88 88 LYS N N 88 122.850 122.850 118.275 4.575 18018 6694 1 13 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.731 0.251 18018 6695 1 13 . 1 1 88 88 LYS CA C 88 55.873 55.873 59.004 -3.131 18018 6696 1 13 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.832 -2.009 18018 6697 1 13 . 1 1 88 88 LYS H H 88 8.145 8.145 8.173 -0.028 18018 6698 1 13 . 1 1 89 89 MET N N 89 118.786 118.786 117.911 0.875 18018 6699 1 13 . 1 1 89 89 MET HA H 89 3.810 3.810 4.202 -0.392 18018 6700 1 13 . 1 1 89 89 MET CA C 89 60.096 60.096 58.300 1.796 18018 6701 1 13 . 1 1 89 89 MET CB C 89 32.329 32.329 32.540 -0.211 18018 6702 1 13 . 1 1 89 89 MET H H 89 8.468 8.468 7.759 0.709 18018 6703 1 13 . 1 1 90 90 VAL N N 90 120.770 120.770 120.168 0.602 18018 6704 1 13 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.721 0.106 18018 6705 1 13 . 1 1 90 90 VAL C C 90 178.017 178.017 178.126 -0.109 18018 6706 1 13 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.644 -1.018 18018 6707 1 13 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.696 0.043 18018 6708 1 13 . 1 1 90 90 VAL H H 90 7.504 7.504 7.774 -0.270 18018 6709 1 13 . 1 1 91 91 GLU N N 91 124.409 124.409 119.280 5.129 18018 6710 1 13 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.116 -0.328 18018 6711 1 13 . 1 1 91 91 GLU C C 91 177.612 177.612 176.609 1.003 18018 6712 1 13 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.105 0.309 18018 6713 1 13 . 1 1 91 91 GLU CB C 91 31.444 31.444 28.907 2.537 18018 6714 1 13 . 1 1 91 91 GLU H H 91 8.486 8.486 8.272 0.214 18018 6715 1 13 . 1 1 92 92 LEU N N 92 114.680 114.680 116.240 -1.560 18018 6716 1 13 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.435 -0.045 18018 6717 1 13 . 1 1 92 92 LEU C C 92 177.928 177.928 178.113 -0.185 18018 6718 1 13 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.761 0.872 18018 6719 1 13 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.703 -2.362 18018 6720 1 13 . 1 1 92 92 LEU H H 92 8.823 8.823 7.387 1.436 18018 6721 1 13 . 1 1 93 93 ARG N N 93 123.603 123.603 122.441 1.162 18018 6722 1 13 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.197 -0.254 18018 6723 1 13 . 1 1 93 93 ARG C C 93 176.350 176.350 178.055 -1.705 18018 6724 1 13 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.810 0.771 18018 6725 1 13 . 1 1 93 93 ARG CB C 93 28.903 28.903 30.050 -1.147 18018 6726 1 13 . 1 1 93 93 ARG H H 93 7.690 7.690 8.487 -0.797 18018 6727 1 13 . 1 1 94 94 ALA N N 94 122.480 122.480 119.950 2.530 18018 6728 1 13 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.026 0.235 18018 6729 1 13 . 1 1 94 94 ALA C C 94 179.805 179.805 179.322 0.483 18018 6730 1 13 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.204 -0.675 18018 6731 1 13 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.212 -1.276 18018 6732 1 13 . 1 1 94 94 ALA H H 94 7.269 7.269 7.797 -0.528 18018 6733 1 13 . 1 1 95 95 THR N N 95 116.936 116.936 114.406 2.530 18018 6734 1 13 . 1 1 95 95 THR HA H 95 4.045 4.045 3.889 0.156 18018 6735 1 13 . 1 1 95 95 THR C C 95 175.007 175.007 176.277 -1.270 18018 6736 1 13 . 1 1 95 95 THR CA C 95 65.569 65.569 67.147 -1.578 18018 6737 1 13 . 1 1 95 95 THR CB C 95 68.334 68.334 68.199 0.135 18018 6738 1 13 . 1 1 95 95 THR H H 95 8.282 8.282 8.142 0.140 18018 6739 1 13 . 1 1 96 96 ALA N N 96 124.095 124.095 123.266 0.829 18018 6740 1 13 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.096 -0.234 18018 6741 1 13 . 1 1 96 96 ALA C C 96 178.184 178.184 179.540 -1.356 18018 6742 1 13 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.585 0.164 18018 6743 1 13 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.286 0.484 18018 6744 1 13 . 1 1 96 96 ALA H H 96 8.681 8.681 7.768 0.913 18018 6745 1 13 . 1 1 97 97 ARG N N 97 117.328 117.328 116.411 0.917 18018 6746 1 13 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.094 -0.308 18018 6747 1 13 . 1 1 97 97 ARG C C 97 176.770 176.770 177.745 -0.975 18018 6748 1 13 . 1 1 97 97 ARG CA C 97 59.561 59.561 58.743 0.818 18018 6749 1 13 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.356 -0.740 18018 6750 1 13 . 1 1 97 97 ARG H H 97 8.070 8.070 7.499 0.571 18018 6751 1 13 . 1 1 98 98 GLU N N 98 118.245 118.245 118.590 -0.345 18018 6752 1 13 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.157 -0.042 18018 6753 1 13 . 1 1 98 98 GLU C C 98 178.865 178.865 178.739 0.126 18018 6754 1 13 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.991 -0.502 18018 6755 1 13 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.805 -1.293 18018 6756 1 13 . 1 1 98 98 GLU H H 98 7.855 7.855 7.640 0.215 18018 6757 1 13 . 1 1 99 99 GLN N N 99 119.735 119.735 119.521 0.214 18018 6758 1 13 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.897 0.274 18018 6759 1 13 . 1 1 99 99 GLN C C 99 178.146 178.146 178.511 -0.365 18018 6760 1 13 . 1 1 99 99 GLN CA C 99 58.245 58.245 59.025 -0.780 18018 6761 1 13 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.632 -1.538 18018 6762 1 13 . 1 1 99 99 GLN H H 99 8.312 8.312 7.955 0.357 18018 6763 1 13 . 1 1 100 100 ILE N N 100 119.864 119.864 119.175 0.689 18018 6764 1 13 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.711 0.239 18018 6765 1 13 . 1 1 100 100 ILE C C 100 178.315 178.315 178.215 0.100 18018 6766 1 13 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.597 -1.994 18018 6767 1 13 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.552 -1.056 18018 6768 1 13 . 1 1 100 100 ILE H H 100 8.445 8.445 7.426 1.019 18018 6769 1 13 . 1 1 101 101 ILE N N 101 120.514 120.514 119.717 0.797 18018 6770 1 13 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.394 0.618 18018 6771 1 13 . 1 1 101 101 ILE C C 101 177.006 177.006 178.028 -1.022 18018 6772 1 13 . 1 1 101 101 ILE CA C 101 62.977 62.977 64.908 -1.931 18018 6773 1 13 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.125 -0.464 18018 6774 1 13 . 1 1 101 101 ILE H H 101 8.329 8.329 8.312 0.017 18018 6775 1 13 . 1 1 102 102 SER N N 102 116.172 116.172 115.122 1.050 18018 6776 1 13 . 1 1 102 102 SER HA H 102 4.562 4.562 4.274 0.288 18018 6777 1 13 . 1 1 102 102 SER C C 102 173.845 173.845 174.924 -1.079 18018 6778 1 13 . 1 1 102 102 SER CA C 102 59.502 59.502 60.661 -1.159 18018 6779 1 13 . 1 1 102 102 SER CB C 102 63.012 63.012 62.819 0.193 18018 6780 1 13 . 1 1 102 102 SER H H 102 7.882 7.882 7.681 0.201 18018 6781 1 13 . 1 1 103 103 GLU N N 103 122.642 122.642 118.251 4.391 18018 6782 1 13 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.445 -0.005 18018 6783 1 13 . 1 1 103 103 GLU C C 103 175.095 175.095 176.445 -1.350 18018 6784 1 13 . 1 1 103 103 GLU CA C 103 55.628 55.628 55.516 0.112 18018 6785 1 13 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.622 -0.808 18018 6786 1 13 . 1 1 103 103 GLU H H 103 7.735 7.735 7.687 0.048 18018 6787 1 14 . 1 1 4 4 PHE N N 4 122.548 122.548 123.733 -1.185 18018 6788 1 14 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.827 -0.144 18018 6789 1 14 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.217 0.390 18018 6790 1 14 . 1 1 4 4 PHE CB C 4 38.895 38.895 39.616 -0.721 18018 6791 1 14 . 1 1 4 4 PHE H H 4 8.328 8.328 7.887 0.441 18018 6792 1 14 . 1 1 7 7 ARG N N 7 121.962 121.962 121.982 -0.020 18018 6793 1 14 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.698 -0.442 18018 6794 1 14 . 1 1 7 7 ARG C C 7 176.683 176.683 176.109 0.574 18018 6795 1 14 . 1 1 7 7 ARG CA C 7 57.087 57.087 55.011 2.076 18018 6796 1 14 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.847 -0.485 18018 6797 1 14 . 1 1 7 7 ARG H H 7 8.321 8.321 8.403 -0.082 18018 6798 1 14 . 1 1 8 8 GLU N N 8 121.095 121.095 121.042 0.053 18018 6799 1 14 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.362 -0.111 18018 6800 1 14 . 1 1 8 8 GLU C C 8 176.964 176.964 176.253 0.711 18018 6801 1 14 . 1 1 8 8 GLU CA C 8 56.933 56.933 56.252 0.681 18018 6802 1 14 . 1 1 8 8 GLU CB C 8 28.855 28.855 30.057 -1.202 18018 6803 1 14 . 1 1 8 8 GLU H H 8 8.388 8.388 7.887 0.501 18018 6804 1 14 . 1 1 9 9 ARG N N 9 121.310 121.310 124.060 -2.750 18018 6805 1 14 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.001 0.339 18018 6806 1 14 . 1 1 9 9 ARG C C 9 176.563 176.563 174.870 1.693 18018 6807 1 14 . 1 1 9 9 ARG CA C 9 56.413 56.413 56.899 -0.486 18018 6808 1 14 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.434 1.235 18018 6809 1 14 . 1 1 9 9 ARG H H 9 8.268 8.268 9.044 -0.776 18018 6810 1 14 . 1 1 10 10 ALA N N 10 124.224 124.224 117.576 6.648 18018 6811 1 14 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.408 -0.090 18018 6812 1 14 . 1 1 10 10 ALA C C 10 178.129 178.129 176.696 1.433 18018 6813 1 14 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.069 0.877 18018 6814 1 14 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.838 -2.082 18018 6815 1 14 . 1 1 10 10 ALA H H 10 8.222 8.222 8.029 0.193 18018 6816 1 14 . 1 1 11 11 HIS N N 11 118.081 118.081 115.493 2.588 18018 6817 1 14 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.039 -0.340 18018 6818 1 14 . 1 1 11 11 HIS C C 11 175.013 175.013 175.240 -0.227 18018 6819 1 14 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.843 -0.588 18018 6820 1 14 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.014 -3.247 18018 6821 1 14 . 1 1 11 11 HIS H H 11 8.486 8.486 8.379 0.107 18018 6822 1 14 . 1 1 12 12 GLU N N 12 121.492 121.492 119.748 1.744 18018 6823 1 14 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.504 -0.226 18018 6824 1 14 . 1 1 12 12 GLU C C 12 176.808 176.808 176.548 0.260 18018 6825 1 14 . 1 1 12 12 GLU CA C 12 57.621 57.621 56.630 0.991 18018 6826 1 14 . 1 1 12 12 GLU CB C 12 28.853 28.853 30.284 -1.431 18018 6827 1 14 . 1 1 12 12 GLU H H 12 8.370 8.370 8.635 -0.265 18018 6828 1 14 . 1 1 13 13 ALA N N 13 123.583 123.583 123.111 0.472 18018 6829 1 14 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.380 -0.076 18018 6830 1 14 . 1 1 13 13 ALA C C 13 178.197 178.197 179.512 -1.315 18018 6831 1 14 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.990 0.061 18018 6832 1 14 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.686 -0.897 18018 6833 1 14 . 1 1 13 13 ALA H H 13 8.426 8.426 8.123 0.303 18018 6834 1 14 . 1 1 14 14 LYS N N 14 119.772 119.772 119.669 0.103 18018 6835 1 14 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.976 0.242 18018 6836 1 14 . 1 1 14 14 LYS C C 14 176.757 176.757 177.837 -1.080 18018 6837 1 14 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.090 -1.980 18018 6838 1 14 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.028 -0.285 18018 6839 1 14 . 1 1 14 14 LYS H H 14 8.073 8.073 8.240 -0.167 18018 6840 1 14 . 1 1 15 15 PHE N N 15 118.073 118.073 114.049 4.024 18018 6841 1 14 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.612 -0.168 18018 6842 1 14 . 1 1 15 15 PHE C C 15 175.635 175.635 174.824 0.811 18018 6843 1 14 . 1 1 15 15 PHE CA C 15 59.001 59.001 57.951 1.050 18018 6844 1 14 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.978 -0.487 18018 6845 1 14 . 1 1 15 15 PHE H H 15 7.926 7.926 8.020 -0.094 18018 6846 1 14 . 1 1 16 16 ALA N N 16 122.453 122.453 118.364 4.089 18018 6847 1 14 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.620 -0.314 18018 6848 1 14 . 1 1 16 16 ALA C C 16 177.641 177.641 176.665 0.976 18018 6849 1 14 . 1 1 16 16 ALA CA C 16 53.052 53.052 51.762 1.290 18018 6850 1 14 . 1 1 16 16 ALA CB C 16 18.021 18.021 19.161 -1.140 18018 6851 1 14 . 1 1 16 16 ALA H H 16 8.137 8.137 7.631 0.506 18018 6852 1 14 . 1 1 17 17 HIS N N 17 115.587 115.587 117.182 -1.595 18018 6853 1 14 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.738 0.087 18018 6854 1 14 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.052 -0.957 18018 6855 1 14 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.335 -1.377 18018 6856 1 14 . 1 1 17 17 HIS H H 17 8.051 8.051 8.171 -0.120 18018 6857 1 14 . 1 1 18 18 ASP N N 18 121.432 121.432 119.684 1.748 18018 6858 1 14 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.804 -0.014 18018 6859 1 14 . 1 1 18 18 ASP CA C 18 53.582 53.582 53.440 0.142 18018 6860 1 14 . 1 1 18 18 ASP CB C 18 40.787 40.787 42.642 -1.855 18018 6861 1 14 . 1 1 18 18 ASP H H 18 7.913 7.913 7.672 0.241 18018 6862 1 14 . 1 1 19 19 ALA N N 19 126.983 126.983 121.886 5.097 18018 6863 1 14 . 1 1 19 19 ALA HA H 19 4.296 4.296 4.366 -0.070 18018 6864 1 14 . 1 1 19 19 ALA CA C 19 54.047 54.047 53.830 0.217 18018 6865 1 14 . 1 1 19 19 ALA CB C 19 17.859 17.859 19.876 -2.017 18018 6866 1 14 . 1 1 19 19 ALA H H 19 8.599 8.599 8.457 0.142 18018 6867 1 14 . 1 1 20 20 GLU N N 20 119.997 119.997 118.890 1.107 18018 6868 1 14 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.127 0.202 18018 6869 1 14 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.035 -0.657 18018 6870 1 14 . 1 1 20 20 GLU CB C 20 28.877 28.877 30.004 -1.127 18018 6871 1 14 . 1 1 20 20 GLU H H 20 8.377 8.377 8.638 -0.261 18018 6872 1 14 . 1 1 21 21 LEU N N 21 122.484 122.484 118.144 4.340 18018 6873 1 14 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.381 -0.218 18018 6874 1 14 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.391 -0.266 18018 6875 1 14 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.943 -0.913 18018 6876 1 14 . 1 1 21 21 LEU H H 21 8.117 8.117 7.915 0.202 18018 6877 1 14 . 1 1 22 22 ASN N N 22 117.879 117.879 117.788 0.091 18018 6878 1 14 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.738 -0.046 18018 6879 1 14 . 1 1 22 22 ASN CA C 22 56.338 56.338 55.867 0.471 18018 6880 1 14 . 1 1 22 22 ASN CB C 22 40.138 40.138 39.210 0.928 18018 6881 1 14 . 1 1 22 22 ASN H H 22 8.507 8.507 7.616 0.891 18018 6882 1 14 . 1 1 23 23 PHE N N 23 121.096 121.096 120.751 0.345 18018 6883 1 14 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.219 0.244 18018 6884 1 14 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.287 -1.048 18018 6885 1 14 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.667 -0.635 18018 6886 1 14 . 1 1 23 23 PHE H H 23 8.465 8.465 7.690 0.775 18018 6887 1 14 . 1 1 24 24 LYS N N 24 120.580 120.580 120.071 0.509 18018 6888 1 14 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.898 0.273 18018 6889 1 14 . 1 1 24 24 LYS C C 24 179.309 179.309 178.425 0.884 18018 6890 1 14 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.386 -0.345 18018 6891 1 14 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.094 1.293 18018 6892 1 14 . 1 1 24 24 LYS H H 24 8.427 8.427 8.105 0.322 18018 6893 1 14 . 1 1 25 25 ALA N N 25 123.682 123.682 122.359 1.323 18018 6894 1 14 . 1 1 25 25 ALA HA H 25 4.121 4.121 3.944 0.177 18018 6895 1 14 . 1 1 25 25 ALA C C 25 178.243 178.243 179.239 -0.996 18018 6896 1 14 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.773 -0.308 18018 6897 1 14 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.217 -0.518 18018 6898 1 14 . 1 1 25 25 ALA H H 25 8.768 8.768 7.550 1.218 18018 6899 1 14 . 1 1 26 26 GLU N N 26 122.051 122.051 119.471 2.580 18018 6900 1 14 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.721 0.300 18018 6901 1 14 . 1 1 26 26 GLU C C 26 177.265 177.265 178.482 -1.217 18018 6902 1 14 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.697 -1.236 18018 6903 1 14 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.290 -0.528 18018 6904 1 14 . 1 1 26 26 GLU H H 26 8.532 8.532 7.626 0.906 18018 6905 1 14 . 1 1 27 27 ALA N N 27 122.124 122.124 121.473 0.651 18018 6906 1 14 . 1 1 27 27 ALA HA H 27 4.325 4.325 3.774 0.551 18018 6907 1 14 . 1 1 27 27 ALA C C 27 180.552 180.552 179.362 1.190 18018 6908 1 14 . 1 1 27 27 ALA CA C 27 54.169 54.169 55.617 -1.448 18018 6909 1 14 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.161 -1.052 18018 6910 1 14 . 1 1 27 27 ALA H H 27 8.048 8.048 7.958 0.090 18018 6911 1 14 . 1 1 28 28 ARG N N 28 120.501 120.501 117.986 2.515 18018 6912 1 14 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.083 0.329 18018 6913 1 14 . 1 1 28 28 ARG C C 28 176.309 176.309 179.122 -2.813 18018 6914 1 14 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.308 -2.339 18018 6915 1 14 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.879 -2.964 18018 6916 1 14 . 1 1 28 28 ARG H H 28 8.046 8.046 7.642 0.404 18018 6917 1 14 . 1 1 29 29 ARG N N 29 122.842 122.842 119.176 3.666 18018 6918 1 14 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.094 -0.396 18018 6919 1 14 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.295 0.121 18018 6920 1 14 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.812 -1.665 18018 6921 1 14 . 1 1 29 29 ARG H H 29 8.908 8.908 7.892 1.016 18018 6922 1 14 . 1 1 30 30 ASN N N 30 120.150 120.150 118.564 1.586 18018 6923 1 14 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.457 0.177 18018 6924 1 14 . 1 1 30 30 ASN C C 30 175.888 175.888 177.373 -1.485 18018 6925 1 14 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.782 -0.375 18018 6926 1 14 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.134 -2.199 18018 6927 1 14 . 1 1 30 30 ASN H H 30 8.402 8.402 8.150 0.252 18018 6928 1 14 . 1 1 31 31 ARG N N 31 123.400 123.400 120.927 2.473 18018 6929 1 14 . 1 1 31 31 ARG HA H 31 4.282 4.282 3.977 0.305 18018 6930 1 14 . 1 1 31 31 ARG C C 31 177.804 177.804 178.382 -0.578 18018 6931 1 14 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.857 -0.907 18018 6932 1 14 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.128 -1.007 18018 6933 1 14 . 1 1 31 31 ARG H H 31 7.996 7.996 8.292 -0.296 18018 6934 1 14 . 1 1 32 32 LEU N N 32 119.872 119.872 117.984 1.888 18018 6935 1 14 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.285 0.006 18018 6936 1 14 . 1 1 32 32 LEU C C 32 180.602 180.602 179.647 0.955 18018 6937 1 14 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.570 -0.324 18018 6938 1 14 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.751 -0.581 18018 6939 1 14 . 1 1 32 32 LEU H H 32 8.742 8.742 7.691 1.051 18018 6940 1 14 . 1 1 33 33 LEU N N 33 124.468 124.468 120.344 4.124 18018 6941 1 14 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.141 0.160 18018 6942 1 14 . 1 1 33 33 LEU C C 33 177.992 177.992 178.468 -0.476 18018 6943 1 14 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.970 -0.955 18018 6944 1 14 . 1 1 33 33 LEU CB C 33 42.239 42.239 42.194 0.045 18018 6945 1 14 . 1 1 33 33 LEU H H 33 9.249 9.249 7.687 1.562 18018 6946 1 14 . 1 1 34 34 GLY N N 34 109.045 109.045 106.294 2.751 18018 6947 1 14 . 1 1 34 34 GLY C C 34 174.530 174.530 175.907 -1.377 18018 6948 1 14 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.503 -0.056 18018 6949 1 14 . 1 1 34 34 GLY H H 34 8.873 8.873 8.746 0.127 18018 6950 1 14 . 1 1 35 35 GLU N N 35 123.414 123.414 122.818 0.596 18018 6951 1 14 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.148 0.029 18018 6952 1 14 . 1 1 35 35 GLU C C 35 178.866 178.866 178.284 0.582 18018 6953 1 14 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.761 0.270 18018 6954 1 14 . 1 1 35 35 GLU CB C 35 28.963 28.963 28.921 0.042 18018 6955 1 14 . 1 1 35 35 GLU H H 35 8.920 8.920 8.269 0.651 18018 6956 1 14 . 1 1 36 36 TRP N N 36 124.774 124.774 122.936 1.838 18018 6957 1 14 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.183 0.400 18018 6958 1 14 . 1 1 36 36 TRP C C 36 177.618 177.618 178.019 -0.401 18018 6959 1 14 . 1 1 36 36 TRP CA C 36 59.618 59.618 61.030 -1.412 18018 6960 1 14 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.371 -2.777 18018 6961 1 14 . 1 1 36 36 TRP H H 36 8.510 8.510 7.572 0.938 18018 6962 1 14 . 1 1 37 37 ALA N N 37 123.777 123.777 120.008 3.769 18018 6963 1 14 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.314 0.063 18018 6964 1 14 . 1 1 37 37 ALA C C 37 177.427 177.427 179.036 -1.609 18018 6965 1 14 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.634 -0.785 18018 6966 1 14 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.803 1.243 18018 6967 1 14 . 1 1 37 37 ALA H H 37 9.122 9.122 8.343 0.779 18018 6968 1 14 . 1 1 38 38 ALA N N 38 119.259 119.259 120.757 -1.498 18018 6969 1 14 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.285 0.209 18018 6970 1 14 . 1 1 38 38 ALA C C 38 178.670 178.670 179.200 -0.530 18018 6971 1 14 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.842 -0.399 18018 6972 1 14 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.212 -0.523 18018 6973 1 14 . 1 1 38 38 ALA H H 38 8.772 8.772 8.194 0.578 18018 6974 1 14 . 1 1 39 39 GLY N N 39 104.027 104.027 105.543 -1.516 18018 6975 1 14 . 1 1 39 39 GLY C C 39 177.232 177.232 176.060 1.172 18018 6976 1 14 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.817 -0.395 18018 6977 1 14 . 1 1 39 39 GLY H H 39 7.733 7.733 7.819 -0.086 18018 6978 1 14 . 1 1 40 40 LEU N N 40 125.448 125.448 120.914 4.534 18018 6979 1 14 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.913 0.172 18018 6980 1 14 . 1 1 40 40 LEU C C 40 178.203 178.203 177.906 0.297 18018 6981 1 14 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.120 0.598 18018 6982 1 14 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.794 -0.454 18018 6983 1 14 . 1 1 40 40 LEU H H 40 7.492 7.492 7.061 0.431 18018 6984 1 14 . 1 1 41 41 LEU N N 41 117.234 117.234 114.904 2.330 18018 6985 1 14 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.959 0.148 18018 6986 1 14 . 1 1 41 41 LEU C C 41 176.119 176.119 177.948 -1.829 18018 6987 1 14 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.018 -2.136 18018 6988 1 14 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.656 -0.003 18018 6989 1 14 . 1 1 41 41 LEU H H 41 7.676 7.676 7.495 0.181 18018 6990 1 14 . 1 1 42 42 GLY N N 42 109.595 109.595 104.532 5.063 18018 6991 1 14 . 1 1 42 42 GLY C C 42 173.775 173.775 174.722 -0.947 18018 6992 1 14 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.841 0.407 18018 6993 1 14 . 1 1 42 42 GLY H H 42 7.869 7.869 7.430 0.439 18018 6994 1 14 . 1 1 43 43 LYS N N 43 119.965 119.965 120.256 -0.291 18018 6995 1 14 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.598 0.114 18018 6996 1 14 . 1 1 43 43 LYS C C 43 175.246 175.246 175.940 -0.694 18018 6997 1 14 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.001 -0.231 18018 6998 1 14 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.447 0.324 18018 6999 1 14 . 1 1 43 43 LYS H H 43 8.079 8.079 8.063 0.016 18018 7000 1 14 . 1 1 44 44 THR N N 44 114.199 114.199 107.997 6.202 18018 7001 1 14 . 1 1 44 44 THR HA H 44 4.749 4.749 4.397 0.352 18018 7002 1 14 . 1 1 44 44 THR C C 44 174.392 174.392 174.298 0.094 18018 7003 1 14 . 1 1 44 44 THR CA C 44 58.992 58.992 60.514 -1.522 18018 7004 1 14 . 1 1 44 44 THR CB C 44 71.762 71.762 72.070 -0.308 18018 7005 1 14 . 1 1 44 44 THR H H 44 8.934 8.934 7.889 1.045 18018 7006 1 14 . 1 1 45 45 GLY N N 45 109.657 109.657 109.704 -0.047 18018 7007 1 14 . 1 1 45 45 GLY C C 45 175.330 175.330 174.220 1.110 18018 7008 1 14 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.689 -0.544 18018 7009 1 14 . 1 1 45 45 GLY H H 45 8.862 8.862 8.635 0.227 18018 7010 1 14 . 1 1 46 46 ASP N N 46 128.403 128.403 124.623 3.780 18018 7011 1 14 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.836 -0.303 18018 7012 1 14 . 1 1 46 46 ASP C C 46 177.343 177.343 176.870 0.473 18018 7013 1 14 . 1 1 46 46 ASP CA C 46 56.485 56.485 53.928 2.557 18018 7014 1 14 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.255 -1.377 18018 7015 1 14 . 1 1 46 46 ASP H H 46 9.283 9.283 8.393 0.890 18018 7016 1 14 . 1 1 47 47 ASP N N 47 121.367 121.367 121.456 -0.089 18018 7017 1 14 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.401 0.235 18018 7018 1 14 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.427 -1.287 18018 7019 1 14 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.882 -0.906 18018 7020 1 14 . 1 1 47 47 ASP H H 47 8.488 8.488 8.245 0.243 18018 7021 1 14 . 1 1 48 48 ALA N N 48 123.210 123.210 121.102 2.108 18018 7022 1 14 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.058 -0.141 18018 7023 1 14 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.780 -0.733 18018 7024 1 14 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.682 -2.040 18018 7025 1 14 . 1 1 48 48 ALA H H 48 7.235 7.235 7.839 -0.604 18018 7026 1 14 . 1 1 49 49 ARG N N 49 120.088 120.088 119.786 0.302 18018 7027 1 14 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.023 0.085 18018 7028 1 14 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.137 -0.437 18018 7029 1 14 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.177 -0.612 18018 7030 1 14 . 1 1 49 49 ARG H H 49 7.777 7.777 7.594 0.183 18018 7031 1 14 . 1 1 50 50 ALA N N 50 120.988 120.988 120.881 0.107 18018 7032 1 14 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.039 0.152 18018 7033 1 14 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.825 -0.742 18018 7034 1 14 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.389 -1.110 18018 7035 1 14 . 1 1 50 50 ALA H H 50 8.350 8.350 7.536 0.814 18018 7036 1 14 . 1 1 51 51 TYR N N 51 119.264 119.264 118.127 1.137 18018 7037 1 14 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.178 0.023 18018 7038 1 14 . 1 1 51 51 TYR C C 51 178.335 178.335 177.440 0.895 18018 7039 1 14 . 1 1 51 51 TYR CA C 51 61.087 61.087 60.934 0.153 18018 7040 1 14 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.774 -0.934 18018 7041 1 14 . 1 1 51 51 TYR H H 51 8.054 8.054 7.818 0.236 18018 7042 1 14 . 1 1 52 52 ALA N N 52 124.002 124.002 120.115 3.887 18018 7043 1 14 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.230 -0.363 18018 7044 1 14 . 1 1 52 52 ALA C C 52 178.352 178.352 177.670 0.682 18018 7045 1 14 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.857 1.213 18018 7046 1 14 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.942 -2.107 18018 7047 1 14 . 1 1 52 52 ALA H H 52 8.611 8.611 7.774 0.837 18018 7048 1 14 . 1 1 53 53 LEU N N 53 116.323 116.323 114.804 1.519 18018 7049 1 14 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.490 -0.206 18018 7050 1 14 . 1 1 53 53 LEU C C 53 177.452 177.452 176.644 0.808 18018 7051 1 14 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.654 1.208 18018 7052 1 14 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.081 0.194 18018 7053 1 14 . 1 1 53 53 LEU H H 53 7.591 7.591 7.556 0.035 18018 7054 1 14 . 1 1 54 54 THR N N 54 110.782 110.782 113.197 -2.415 18018 7055 1 14 . 1 1 54 54 THR HA H 54 4.392 4.392 4.383 0.009 18018 7056 1 14 . 1 1 54 54 THR CA C 54 62.390 62.390 62.405 -0.015 18018 7057 1 14 . 1 1 54 54 THR H H 54 7.947 7.947 7.461 0.486 18018 7058 1 14 . 1 1 55 55 VAL N N 55 123.763 123.763 121.342 2.421 18018 7059 1 14 . 1 1 55 55 VAL HA H 55 3.882 3.882 3.928 -0.046 18018 7060 1 14 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.889 -0.145 18018 7061 1 14 . 1 1 55 55 VAL CB C 55 29.871 29.871 32.429 -2.558 18018 7062 1 14 . 1 1 55 55 VAL H H 55 7.171 7.171 7.715 -0.544 18018 7063 1 14 . 1 1 56 56 VAL N N 56 118.917 118.917 117.505 1.412 18018 7064 1 14 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.202 0.188 18018 7065 1 14 . 1 1 56 56 VAL CA C 56 60.780 60.780 61.392 -0.612 18018 7066 1 14 . 1 1 56 56 VAL CB C 56 33.490 33.490 30.918 2.572 18018 7067 1 14 . 1 1 56 56 VAL H H 56 7.409 7.409 7.597 -0.188 18018 7068 1 14 . 1 1 57 57 THR N N 57 115.599 115.599 122.218 -6.619 18018 7069 1 14 . 1 1 57 57 THR HA H 57 4.532 4.532 4.478 0.054 18018 7070 1 14 . 1 1 57 57 THR CA C 57 60.614 60.614 63.230 -2.616 18018 7071 1 14 . 1 1 57 57 THR CB C 57 68.892 68.892 69.412 -0.520 18018 7072 1 14 . 1 1 57 57 THR H H 57 7.916 7.916 8.794 -0.878 18018 7073 1 14 . 1 1 58 58 SER N N 58 120.007 120.007 115.799 4.208 18018 7074 1 14 . 1 1 58 58 SER HA H 58 4.547 4.547 4.508 0.038 18018 7075 1 14 . 1 1 58 58 SER CA C 58 57.770 57.770 58.424 -0.654 18018 7076 1 14 . 1 1 58 58 SER CB C 58 63.162 63.162 64.419 -1.257 18018 7077 1 14 . 1 1 58 58 SER H H 58 8.580 8.580 8.247 0.333 18018 7078 1 14 . 1 1 59 59 ASP N N 59 122.731 122.731 123.362 -0.631 18018 7079 1 14 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.564 0.126 18018 7080 1 14 . 1 1 59 59 ASP CA C 59 53.456 53.456 55.460 -2.004 18018 7081 1 14 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.087 -0.339 18018 7082 1 14 . 1 1 59 59 ASP H H 59 8.399 8.399 7.916 0.483 18018 7083 1 14 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.494 -0.326 18018 7084 1 14 . 1 1 60 60 PHE CA C 60 60.054 60.054 60.009 0.045 18018 7085 1 14 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.658 -3.845 18018 7086 1 14 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.428 0.168 18018 7087 1 14 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.917 0.031 18018 7088 1 14 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.432 -0.905 18018 7089 1 14 . 1 1 64 64 GLY N N 64 110.688 110.688 107.578 3.110 18018 7090 1 14 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.456 0.213 18018 7091 1 14 . 1 1 64 64 GLY H H 64 8.725 8.725 7.808 0.917 18018 7092 1 14 . 1 1 65 65 ASP N N 65 122.028 122.028 123.720 -1.692 18018 7093 1 14 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.789 -0.126 18018 7094 1 14 . 1 1 65 65 ASP CA C 65 55.765 55.765 52.798 2.966 18018 7095 1 14 . 1 1 65 65 ASP CB C 65 40.462 40.462 39.798 0.664 18018 7096 1 14 . 1 1 65 65 ASP H H 65 8.649 8.649 8.639 0.010 18018 7097 1 14 . 1 1 67 67 ASP N N 67 120.095 120.095 120.197 -0.102 18018 7098 1 14 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.587 -0.006 18018 7099 1 14 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.213 0.340 18018 7100 1 14 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.713 -0.842 18018 7101 1 14 . 1 1 67 67 ASP H H 67 8.181 8.181 8.014 0.167 18018 7102 1 14 . 1 1 68 68 VAL N N 68 123.206 123.206 120.292 2.914 18018 7103 1 14 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.745 0.072 18018 7104 1 14 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.627 0.088 18018 7105 1 14 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.771 -0.346 18018 7106 1 14 . 1 1 68 68 VAL H H 68 8.014 8.014 8.097 -0.083 18018 7107 1 14 . 1 1 69 69 PHE N N 69 120.318 120.318 120.162 0.156 18018 7108 1 14 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.266 -0.144 18018 7109 1 14 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.807 -0.065 18018 7110 1 14 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.128 -0.887 18018 7111 1 14 . 1 1 69 69 PHE H H 69 8.501 8.501 7.872 0.629 18018 7112 1 14 . 1 1 70 70 ARG N N 70 117.820 117.820 119.399 -1.579 18018 7113 1 14 . 1 1 70 70 ARG HA H 70 3.712 3.712 4.073 -0.361 18018 7114 1 14 . 1 1 70 70 ARG C C 70 178.813 178.813 178.723 0.090 18018 7115 1 14 . 1 1 70 70 ARG CA C 70 58.846 58.846 58.818 0.028 18018 7116 1 14 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.702 0.080 18018 7117 1 14 . 1 1 70 70 ARG H H 70 8.598 8.598 7.873 0.725 18018 7118 1 14 . 1 1 71 71 LYS N N 71 121.726 121.726 120.327 1.399 18018 7119 1 14 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.170 0.053 18018 7120 1 14 . 1 1 71 71 LYS C C 71 177.020 177.020 178.754 -1.734 18018 7121 1 14 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.188 -0.698 18018 7122 1 14 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.628 -0.742 18018 7123 1 14 . 1 1 71 71 LYS H H 71 7.658 7.658 7.829 -0.171 18018 7124 1 14 . 1 1 72 72 LEU N N 72 119.355 119.355 120.561 -1.206 18018 7125 1 14 . 1 1 72 72 LEU HA H 72 4.025 4.025 3.984 0.041 18018 7126 1 14 . 1 1 72 72 LEU C C 72 177.378 177.378 179.122 -1.744 18018 7127 1 14 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.436 -1.450 18018 7128 1 14 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.189 0.657 18018 7129 1 14 . 1 1 72 72 LEU H H 72 8.173 8.173 8.225 -0.052 18018 7130 1 14 . 1 1 73 73 ALA N N 73 121.169 121.169 120.955 0.214 18018 7131 1 14 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.713 0.019 18018 7132 1 14 . 1 1 73 73 ALA C C 73 179.644 179.644 178.903 0.741 18018 7133 1 14 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.949 -1.125 18018 7134 1 14 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.018 -1.482 18018 7135 1 14 . 1 1 73 73 ALA H H 73 9.151 9.151 8.339 0.812 18018 7136 1 14 . 1 1 74 74 ALA N N 74 119.383 119.383 119.242 0.141 18018 7137 1 14 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.087 0.276 18018 7138 1 14 . 1 1 74 74 ALA C C 74 179.752 179.752 179.667 0.085 18018 7139 1 14 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.199 -0.675 18018 7140 1 14 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.324 -0.680 18018 7141 1 14 . 1 1 74 74 ALA H H 74 7.379 7.379 7.451 -0.072 18018 7142 1 14 . 1 1 75 75 ASP N N 75 120.226 120.226 118.966 1.260 18018 7143 1 14 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.558 -0.063 18018 7144 1 14 . 1 1 75 75 ASP C C 75 177.704 177.704 177.290 0.414 18018 7145 1 14 . 1 1 75 75 ASP CA C 75 55.987 55.987 57.314 -1.327 18018 7146 1 14 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.513 -2.569 18018 7147 1 14 . 1 1 75 75 ASP H H 75 8.474 8.474 7.734 0.740 18018 7148 1 14 . 1 1 76 76 LEU N N 76 115.468 115.468 116.451 -0.983 18018 7149 1 14 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.432 -0.040 18018 7150 1 14 . 1 1 76 76 LEU C C 76 174.790 174.790 175.932 -1.142 18018 7151 1 14 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.497 -0.873 18018 7152 1 14 . 1 1 76 76 LEU CB C 76 40.199 40.199 42.356 -2.158 18018 7153 1 14 . 1 1 76 76 LEU H H 76 8.599 8.599 7.700 0.899 18018 7154 1 14 . 1 1 77 77 GLU N N 77 124.833 124.833 121.440 3.393 18018 7155 1 14 . 1 1 77 77 GLU HA H 77 4.340 4.340 3.873 0.467 18018 7156 1 14 . 1 1 77 77 GLU C C 77 176.953 176.953 176.790 0.163 18018 7157 1 14 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.402 -0.091 18018 7158 1 14 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.191 -0.576 18018 7159 1 14 . 1 1 77 77 GLU H H 77 7.115 7.115 7.642 -0.527 18018 7160 1 14 . 1 1 78 78 GLY N N 78 118.193 118.193 114.578 3.615 18018 7161 1 14 . 1 1 78 78 GLY C C 78 173.075 173.075 175.435 -2.360 18018 7162 1 14 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.823 -0.718 18018 7163 1 14 . 1 1 78 78 GLY H H 78 9.371 9.371 8.507 0.864 18018 7164 1 14 . 1 1 79 79 LYS N N 79 120.237 120.237 121.658 -1.421 18018 7165 1 14 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.087 0.544 18018 7166 1 14 . 1 1 79 79 LYS C C 79 175.050 175.050 175.714 -0.664 18018 7167 1 14 . 1 1 79 79 LYS CA C 79 55.225 55.225 57.043 -1.818 18018 7168 1 14 . 1 1 79 79 LYS CB C 79 34.062 34.062 32.779 1.283 18018 7169 1 14 . 1 1 79 79 LYS H H 79 8.799 8.799 7.958 0.841 18018 7170 1 14 . 1 1 80 80 ALA N N 80 121.135 121.135 120.076 1.059 18018 7171 1 14 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.568 0.296 18018 7172 1 14 . 1 1 80 80 ALA C C 80 174.051 174.051 174.715 -0.664 18018 7173 1 14 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.362 -0.492 18018 7174 1 14 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.398 -0.271 18018 7175 1 14 . 1 1 80 80 ALA H H 80 8.126 8.126 7.306 0.820 18018 7176 1 14 . 1 1 81 81 ASP N N 81 121.569 121.569 122.110 -0.541 18018 7177 1 14 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.861 0.007 18018 7178 1 14 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.001 -2.032 18018 7179 1 14 . 1 1 81 81 ASP CB C 81 41.286 41.286 43.400 -2.114 18018 7180 1 14 . 1 1 81 81 ASP H H 81 8.283 8.283 8.273 0.010 18018 7181 1 14 . 1 1 82 82 GLU N N 82 120.044 120.044 122.159 -2.115 18018 7182 1 14 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.277 -0.111 18018 7183 1 14 . 1 1 82 82 GLU C C 82 177.350 177.350 178.374 -1.024 18018 7184 1 14 . 1 1 82 82 GLU CA C 82 60.218 60.218 61.036 -0.819 18018 7185 1 14 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.872 -1.247 18018 7186 1 14 . 1 1 82 82 GLU H H 82 8.891 8.891 8.916 -0.025 18018 7187 1 14 . 1 1 83 83 GLU N N 83 119.348 119.348 118.399 0.949 18018 7188 1 14 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.077 0.070 18018 7189 1 14 . 1 1 83 83 GLU C C 83 178.794 178.794 179.180 -0.386 18018 7190 1 14 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.635 -0.553 18018 7191 1 14 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.213 -0.838 18018 7192 1 14 . 1 1 83 83 GLU H H 83 8.827 8.827 8.776 0.051 18018 7193 1 14 . 1 1 84 84 THR N N 84 119.678 119.678 114.881 4.797 18018 7194 1 14 . 1 1 84 84 THR HA H 84 4.131 4.131 4.186 -0.056 18018 7195 1 14 . 1 1 84 84 THR C C 84 176.165 176.165 176.735 -0.570 18018 7196 1 14 . 1 1 84 84 THR CA C 84 66.422 66.422 65.457 0.965 18018 7197 1 14 . 1 1 84 84 THR CB C 84 65.645 65.645 68.797 -3.152 18018 7198 1 14 . 1 1 84 84 THR H H 84 8.552 8.552 7.641 0.911 18018 7199 1 14 . 1 1 85 85 ILE N N 85 123.677 123.677 123.427 0.250 18018 7200 1 14 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.685 0.134 18018 7201 1 14 . 1 1 85 85 ILE C C 85 174.809 174.809 177.806 -2.997 18018 7202 1 14 . 1 1 85 85 ILE CA C 85 65.583 65.583 65.961 -0.378 18018 7203 1 14 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.783 0.707 18018 7204 1 14 . 1 1 85 85 ILE H H 85 8.571 8.571 8.127 0.444 18018 7205 1 14 . 1 1 86 86 ARG N N 86 119.556 119.556 119.273 0.283 18018 7206 1 14 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.107 0.064 18018 7207 1 14 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.195 0.424 18018 7208 1 14 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.651 -0.793 18018 7209 1 14 . 1 1 86 86 ARG H H 86 9.093 9.093 8.889 0.204 18018 7210 1 14 . 1 1 87 87 ALA N N 87 121.431 121.431 122.722 -1.291 18018 7211 1 14 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.030 0.258 18018 7212 1 14 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.322 -1.167 18018 7213 1 14 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.983 -0.911 18018 7214 1 14 . 1 1 87 87 ALA H H 87 8.206 8.206 7.620 0.586 18018 7215 1 14 . 1 1 88 88 LYS N N 88 122.850 122.850 118.319 4.531 18018 7216 1 14 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.760 0.222 18018 7217 1 14 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.763 -2.890 18018 7218 1 14 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.459 -1.637 18018 7219 1 14 . 1 1 88 88 LYS H H 88 8.145 8.145 7.923 0.222 18018 7220 1 14 . 1 1 89 89 MET N N 89 118.786 118.786 119.216 -0.430 18018 7221 1 14 . 1 1 89 89 MET HA H 89 3.810 3.810 4.041 -0.231 18018 7222 1 14 . 1 1 89 89 MET CA C 89 60.096 60.096 58.824 1.272 18018 7223 1 14 . 1 1 89 89 MET CB C 89 32.329 32.329 32.584 -0.255 18018 7224 1 14 . 1 1 89 89 MET H H 89 8.468 8.468 8.070 0.398 18018 7225 1 14 . 1 1 90 90 VAL N N 90 120.770 120.770 117.597 3.173 18018 7226 1 14 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.577 0.250 18018 7227 1 14 . 1 1 90 90 VAL C C 90 178.017 178.017 177.499 0.518 18018 7228 1 14 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.064 -0.439 18018 7229 1 14 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.878 -0.139 18018 7230 1 14 . 1 1 90 90 VAL H H 90 7.504 7.504 8.201 -0.697 18018 7231 1 14 . 1 1 91 91 GLU N N 91 124.409 124.409 120.628 3.781 18018 7232 1 14 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.971 -0.183 18018 7233 1 14 . 1 1 91 91 GLU C C 91 177.612 177.612 179.325 -1.713 18018 7234 1 14 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.563 -1.149 18018 7235 1 14 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.779 1.665 18018 7236 1 14 . 1 1 91 91 GLU H H 91 8.486 8.486 8.194 0.292 18018 7237 1 14 . 1 1 92 92 LEU N N 92 114.680 114.680 117.826 -3.146 18018 7238 1 14 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.211 0.179 18018 7239 1 14 . 1 1 92 92 LEU C C 92 177.928 177.928 179.572 -1.644 18018 7240 1 14 . 1 1 92 92 LEU CA C 92 55.634 55.634 56.491 -0.857 18018 7241 1 14 . 1 1 92 92 LEU CB C 92 40.341 40.341 40.358 -0.018 18018 7242 1 14 . 1 1 92 92 LEU H H 92 8.823 8.823 7.978 0.845 18018 7243 1 14 . 1 1 93 93 ARG N N 93 123.603 123.603 120.620 2.983 18018 7244 1 14 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.029 -0.086 18018 7245 1 14 . 1 1 93 93 ARG C C 93 176.350 176.350 178.183 -1.833 18018 7246 1 14 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.880 0.701 18018 7247 1 14 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.531 -0.628 18018 7248 1 14 . 1 1 93 93 ARG H H 93 7.690 7.690 7.515 0.175 18018 7249 1 14 . 1 1 94 94 ALA N N 94 122.480 122.480 120.621 1.859 18018 7250 1 14 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.139 0.122 18018 7251 1 14 . 1 1 94 94 ALA C C 94 179.805 179.805 179.800 0.005 18018 7252 1 14 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.040 -0.511 18018 7253 1 14 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.404 -1.468 18018 7254 1 14 . 1 1 94 94 ALA H H 94 7.269 7.269 8.007 -0.738 18018 7255 1 14 . 1 1 95 95 THR N N 95 116.936 116.936 113.700 3.236 18018 7256 1 14 . 1 1 95 95 THR HA H 95 4.045 4.045 4.114 -0.069 18018 7257 1 14 . 1 1 95 95 THR C C 95 175.007 175.007 176.131 -1.124 18018 7258 1 14 . 1 1 95 95 THR CA C 95 65.569 65.569 66.348 -0.779 18018 7259 1 14 . 1 1 95 95 THR CB C 95 68.334 68.334 68.848 -0.514 18018 7260 1 14 . 1 1 95 95 THR H H 95 8.282 8.282 8.059 0.223 18018 7261 1 14 . 1 1 96 96 ALA N N 96 124.095 124.095 123.357 0.738 18018 7262 1 14 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.888 -0.026 18018 7263 1 14 . 1 1 96 96 ALA C C 96 178.184 178.184 178.783 -0.599 18018 7264 1 14 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.974 -0.225 18018 7265 1 14 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.446 0.324 18018 7266 1 14 . 1 1 96 96 ALA H H 96 8.681 8.681 7.697 0.984 18018 7267 1 14 . 1 1 97 97 ARG N N 97 117.328 117.328 118.736 -1.408 18018 7268 1 14 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.896 -0.110 18018 7269 1 14 . 1 1 97 97 ARG C C 97 176.770 176.770 178.447 -1.677 18018 7270 1 14 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.522 0.039 18018 7271 1 14 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.666 -0.050 18018 7272 1 14 . 1 1 97 97 ARG H H 97 8.070 8.070 7.852 0.218 18018 7273 1 14 . 1 1 98 98 GLU N N 98 118.245 118.245 118.825 -0.580 18018 7274 1 14 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.072 0.043 18018 7275 1 14 . 1 1 98 98 GLU C C 98 178.865 178.865 179.078 -0.213 18018 7276 1 14 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.070 -0.581 18018 7277 1 14 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.505 -0.993 18018 7278 1 14 . 1 1 98 98 GLU H H 98 7.855 7.855 7.778 0.077 18018 7279 1 14 . 1 1 99 99 GLN N N 99 119.735 119.735 119.328 0.407 18018 7280 1 14 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.018 0.153 18018 7281 1 14 . 1 1 99 99 GLN C C 99 178.146 178.146 178.691 -0.545 18018 7282 1 14 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.648 -0.403 18018 7283 1 14 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.451 -1.357 18018 7284 1 14 . 1 1 99 99 GLN H H 99 8.312 8.312 7.794 0.518 18018 7285 1 14 . 1 1 100 100 ILE N N 100 119.864 119.864 119.193 0.671 18018 7286 1 14 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.744 0.206 18018 7287 1 14 . 1 1 100 100 ILE C C 100 178.315 178.315 178.032 0.283 18018 7288 1 14 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.196 -2.592 18018 7289 1 14 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.013 -1.517 18018 7290 1 14 . 1 1 100 100 ILE H H 100 8.445 8.445 7.821 0.624 18018 7291 1 14 . 1 1 101 101 ILE N N 101 120.514 120.514 118.504 2.010 18018 7292 1 14 . 1 1 101 101 ILE HA H 101 4.012 4.012 4.063 -0.051 18018 7293 1 14 . 1 1 101 101 ILE C C 101 177.006 177.006 178.601 -1.595 18018 7294 1 14 . 1 1 101 101 ILE CA C 101 62.977 62.977 63.065 -0.088 18018 7295 1 14 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.380 -0.719 18018 7296 1 14 . 1 1 101 101 ILE H H 101 8.329 8.329 7.914 0.415 18018 7297 1 14 . 1 1 102 102 SER N N 102 116.172 116.172 116.080 0.092 18018 7298 1 14 . 1 1 102 102 SER HA H 102 4.562 4.562 4.267 0.295 18018 7299 1 14 . 1 1 102 102 SER C C 102 173.845 173.845 175.814 -1.969 18018 7300 1 14 . 1 1 102 102 SER CA C 102 59.502 59.502 60.942 -1.440 18018 7301 1 14 . 1 1 102 102 SER CB C 102 63.012 63.012 62.943 0.069 18018 7302 1 14 . 1 1 102 102 SER H H 102 7.882 7.882 8.014 -0.132 18018 7303 1 14 . 1 1 103 103 GLU N N 103 122.642 122.642 119.827 2.815 18018 7304 1 14 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.384 0.056 18018 7305 1 14 . 1 1 103 103 GLU C C 103 175.095 175.095 176.261 -1.166 18018 7306 1 14 . 1 1 103 103 GLU CA C 103 55.628 55.628 55.731 -0.103 18018 7307 1 14 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.030 -0.217 18018 7308 1 14 . 1 1 103 103 GLU H H 103 7.735 7.735 7.639 0.096 18018 7309 1 15 . 1 1 4 4 PHE N N 4 122.548 122.548 120.871 1.677 18018 7310 1 15 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.448 0.235 18018 7311 1 15 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.731 -1.124 18018 7312 1 15 . 1 1 4 4 PHE CB C 4 38.895 38.895 38.532 0.363 18018 7313 1 15 . 1 1 4 4 PHE H H 4 8.328 8.328 8.295 0.033 18018 7314 1 15 . 1 1 7 7 ARG N N 7 121.962 121.962 115.291 6.671 18018 7315 1 15 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.075 0.181 18018 7316 1 15 . 1 1 7 7 ARG C C 7 176.683 176.683 175.375 1.308 18018 7317 1 15 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.614 -0.527 18018 7318 1 15 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.978 -0.616 18018 7319 1 15 . 1 1 7 7 ARG H H 7 8.321 8.321 8.620 -0.299 18018 7320 1 15 . 1 1 8 8 GLU N N 8 121.095 121.095 120.797 0.298 18018 7321 1 15 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.250 0.001 18018 7322 1 15 . 1 1 8 8 GLU C C 8 176.964 176.964 176.827 0.137 18018 7323 1 15 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.193 -0.260 18018 7324 1 15 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.811 -0.956 18018 7325 1 15 . 1 1 8 8 GLU H H 8 8.388 8.388 8.239 0.149 18018 7326 1 15 . 1 1 9 9 ARG N N 9 121.310 121.310 122.926 -1.616 18018 7327 1 15 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.015 0.325 18018 7328 1 15 . 1 1 9 9 ARG C C 9 176.563 176.563 175.322 1.241 18018 7329 1 15 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.507 -1.094 18018 7330 1 15 . 1 1 9 9 ARG CB C 9 29.669 29.669 27.891 1.778 18018 7331 1 15 . 1 1 9 9 ARG H H 9 8.268 8.268 8.792 -0.524 18018 7332 1 15 . 1 1 10 10 ALA N N 10 124.224 124.224 117.683 6.541 18018 7333 1 15 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.350 -0.032 18018 7334 1 15 . 1 1 10 10 ALA C C 10 178.129 178.129 177.111 1.018 18018 7335 1 15 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.627 0.320 18018 7336 1 15 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.427 -2.671 18018 7337 1 15 . 1 1 10 10 ALA H H 10 8.222 8.222 7.657 0.565 18018 7338 1 15 . 1 1 11 11 HIS N N 11 118.081 118.081 113.735 4.346 18018 7339 1 15 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.618 0.081 18018 7340 1 15 . 1 1 11 11 HIS C C 11 175.013 175.013 176.202 -1.189 18018 7341 1 15 . 1 1 11 11 HIS CA C 11 56.255 56.255 56.027 0.228 18018 7342 1 15 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.720 -3.953 18018 7343 1 15 . 1 1 11 11 HIS H H 11 8.486 8.486 7.898 0.588 18018 7344 1 15 . 1 1 12 12 GLU N N 12 121.492 121.492 119.629 1.863 18018 7345 1 15 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.375 -0.096 18018 7346 1 15 . 1 1 12 12 GLU C C 12 176.808 176.808 176.756 0.052 18018 7347 1 15 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.236 -0.615 18018 7348 1 15 . 1 1 12 12 GLU CB C 12 28.853 28.853 30.550 -1.697 18018 7349 1 15 . 1 1 12 12 GLU H H 12 8.370 8.370 7.806 0.564 18018 7350 1 15 . 1 1 13 13 ALA N N 13 123.583 123.583 120.990 2.593 18018 7351 1 15 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.423 -0.119 18018 7352 1 15 . 1 1 13 13 ALA C C 13 178.197 178.197 178.237 -0.040 18018 7353 1 15 . 1 1 13 13 ALA CA C 13 54.051 54.051 52.740 1.311 18018 7354 1 15 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.257 -1.469 18018 7355 1 15 . 1 1 13 13 ALA H H 13 8.426 8.426 8.187 0.239 18018 7356 1 15 . 1 1 14 14 LYS N N 14 119.772 119.772 118.436 1.336 18018 7357 1 15 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.790 0.428 18018 7358 1 15 . 1 1 14 14 LYS C C 14 176.757 176.757 175.397 1.360 18018 7359 1 15 . 1 1 14 14 LYS CA C 14 57.110 57.110 57.467 -0.356 18018 7360 1 15 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.772 -0.029 18018 7361 1 15 . 1 1 14 14 LYS H H 14 8.073 8.073 8.431 -0.358 18018 7362 1 15 . 1 1 15 15 PHE N N 15 118.073 118.073 112.552 5.521 18018 7363 1 15 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.605 -0.161 18018 7364 1 15 . 1 1 15 15 PHE C C 15 175.635 175.635 177.509 -1.874 18018 7365 1 15 . 1 1 15 15 PHE CA C 15 59.001 59.001 56.907 2.094 18018 7366 1 15 . 1 1 15 15 PHE CB C 15 38.491 38.491 39.096 -0.605 18018 7367 1 15 . 1 1 15 15 PHE H H 15 7.926 7.926 7.624 0.302 18018 7368 1 15 . 1 1 16 16 ALA N N 16 122.453 122.453 124.663 -2.210 18018 7369 1 15 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.095 0.211 18018 7370 1 15 . 1 1 16 16 ALA C C 16 177.641 177.641 178.136 -0.495 18018 7371 1 15 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.557 -1.505 18018 7372 1 15 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.662 -0.641 18018 7373 1 15 . 1 1 16 16 ALA H H 16 8.137 8.137 7.378 0.759 18018 7374 1 15 . 1 1 17 17 HIS N N 17 115.587 115.587 114.865 0.722 18018 7375 1 15 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.745 0.080 18018 7376 1 15 . 1 1 17 17 HIS CA C 17 55.095 55.095 53.460 1.635 18018 7377 1 15 . 1 1 17 17 HIS CB C 17 28.958 28.958 28.815 0.143 18018 7378 1 15 . 1 1 17 17 HIS H H 17 8.051 8.051 7.658 0.393 18018 7379 1 15 . 1 1 18 18 ASP N N 18 121.432 121.432 119.737 1.695 18018 7380 1 15 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.184 0.606 18018 7381 1 15 . 1 1 18 18 ASP CA C 18 53.582 53.582 56.141 -2.559 18018 7382 1 15 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.438 0.349 18018 7383 1 15 . 1 1 18 18 ASP H H 18 7.913 7.913 7.666 0.247 18018 7384 1 15 . 1 1 19 19 ALA N N 19 126.983 126.983 120.401 6.582 18018 7385 1 15 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.891 0.405 18018 7386 1 15 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.553 -0.506 18018 7387 1 15 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.344 0.515 18018 7388 1 15 . 1 1 19 19 ALA H H 19 8.599 8.599 8.545 0.054 18018 7389 1 15 . 1 1 20 20 GLU N N 20 119.997 119.997 119.684 0.313 18018 7390 1 15 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.455 -0.126 18018 7391 1 15 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.288 0.090 18018 7392 1 15 . 1 1 20 20 GLU CB C 20 28.877 28.877 30.087 -1.210 18018 7393 1 15 . 1 1 20 20 GLU H H 20 8.377 8.377 8.194 0.183 18018 7394 1 15 . 1 1 21 21 LEU N N 21 122.484 122.484 120.637 1.847 18018 7395 1 15 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.112 0.051 18018 7396 1 15 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.370 -0.244 18018 7397 1 15 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.967 -0.937 18018 7398 1 15 . 1 1 21 21 LEU H H 21 8.117 8.117 7.690 0.427 18018 7399 1 15 . 1 1 22 22 ASN N N 22 117.879 117.879 117.400 0.479 18018 7400 1 15 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.358 0.334 18018 7401 1 15 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.863 -0.525 18018 7402 1 15 . 1 1 22 22 ASN CB C 22 40.138 40.138 38.157 1.981 18018 7403 1 15 . 1 1 22 22 ASN H H 22 8.507 8.507 7.522 0.985 18018 7404 1 15 . 1 1 23 23 PHE N N 23 121.096 121.096 119.831 1.265 18018 7405 1 15 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.212 0.251 18018 7406 1 15 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.388 -1.149 18018 7407 1 15 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.743 -0.711 18018 7408 1 15 . 1 1 23 23 PHE H H 23 8.465 8.465 7.827 0.638 18018 7409 1 15 . 1 1 24 24 LYS N N 24 120.580 120.580 118.625 1.955 18018 7410 1 15 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.893 0.278 18018 7411 1 15 . 1 1 24 24 LYS C C 24 179.309 179.309 178.594 0.715 18018 7412 1 15 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.829 0.212 18018 7413 1 15 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.556 0.831 18018 7414 1 15 . 1 1 24 24 LYS H H 24 8.427 8.427 7.691 0.736 18018 7415 1 15 . 1 1 25 25 ALA N N 25 123.682 123.682 118.953 4.729 18018 7416 1 15 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.204 -0.083 18018 7417 1 15 . 1 1 25 25 ALA C C 25 178.243 178.243 179.208 -0.965 18018 7418 1 15 . 1 1 25 25 ALA CA C 25 54.465 54.465 53.726 0.739 18018 7419 1 15 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.132 -0.433 18018 7420 1 15 . 1 1 25 25 ALA H H 25 8.768 8.768 8.320 0.448 18018 7421 1 15 . 1 1 26 26 GLU N N 26 122.051 122.051 121.371 0.680 18018 7422 1 15 . 1 1 26 26 GLU HA H 26 4.021 4.021 4.050 -0.029 18018 7423 1 15 . 1 1 26 26 GLU C C 26 177.265 177.265 178.143 -0.878 18018 7424 1 15 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.486 -1.025 18018 7425 1 15 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.472 -0.710 18018 7426 1 15 . 1 1 26 26 GLU H H 26 8.532 8.532 7.964 0.568 18018 7427 1 15 . 1 1 27 27 ALA N N 27 122.124 122.124 121.891 0.233 18018 7428 1 15 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.030 0.295 18018 7429 1 15 . 1 1 27 27 ALA C C 27 180.552 180.552 180.334 0.218 18018 7430 1 15 . 1 1 27 27 ALA CA C 27 54.169 54.169 55.168 -0.999 18018 7431 1 15 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.181 -1.072 18018 7432 1 15 . 1 1 27 27 ALA H H 27 8.048 8.048 7.666 0.382 18018 7433 1 15 . 1 1 28 28 ARG N N 28 120.501 120.501 117.996 2.505 18018 7434 1 15 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.101 0.311 18018 7435 1 15 . 1 1 28 28 ARG C C 28 176.309 176.309 178.656 -2.347 18018 7436 1 15 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.433 -2.464 18018 7437 1 15 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.837 -2.922 18018 7438 1 15 . 1 1 28 28 ARG H H 28 8.046 8.046 7.711 0.335 18018 7439 1 15 . 1 1 29 29 ARG N N 29 122.842 122.842 119.080 3.762 18018 7440 1 15 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.948 -0.250 18018 7441 1 15 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.239 0.177 18018 7442 1 15 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.225 -1.077 18018 7443 1 15 . 1 1 29 29 ARG H H 29 8.908 8.908 7.874 1.034 18018 7444 1 15 . 1 1 30 30 ASN N N 30 120.150 120.150 118.929 1.221 18018 7445 1 15 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.521 0.113 18018 7446 1 15 . 1 1 30 30 ASN C C 30 175.888 175.888 177.534 -1.646 18018 7447 1 15 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.146 -0.739 18018 7448 1 15 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.812 -1.877 18018 7449 1 15 . 1 1 30 30 ASN H H 30 8.402 8.402 8.605 -0.203 18018 7450 1 15 . 1 1 31 31 ARG N N 31 123.400 123.400 120.357 3.043 18018 7451 1 15 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.129 0.153 18018 7452 1 15 . 1 1 31 31 ARG C C 31 177.804 177.804 178.835 -1.031 18018 7453 1 15 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.659 0.291 18018 7454 1 15 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.681 -0.560 18018 7455 1 15 . 1 1 31 31 ARG H H 31 7.996 7.996 7.630 0.366 18018 7456 1 15 . 1 1 32 32 LEU N N 32 119.872 119.872 119.480 0.392 18018 7457 1 15 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.120 0.171 18018 7458 1 15 . 1 1 32 32 LEU C C 32 180.602 180.602 179.332 1.270 18018 7459 1 15 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.507 -0.261 18018 7460 1 15 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.754 -0.584 18018 7461 1 15 . 1 1 32 32 LEU H H 32 8.742 8.742 8.167 0.575 18018 7462 1 15 . 1 1 33 33 LEU N N 33 124.468 124.468 119.486 4.982 18018 7463 1 15 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.144 0.157 18018 7464 1 15 . 1 1 33 33 LEU C C 33 177.992 177.992 179.182 -1.190 18018 7465 1 15 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.640 -0.625 18018 7466 1 15 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.872 0.367 18018 7467 1 15 . 1 1 33 33 LEU H H 33 9.249 9.249 7.708 1.541 18018 7468 1 15 . 1 1 34 34 GLY N N 34 109.045 109.045 106.783 2.262 18018 7469 1 15 . 1 1 34 34 GLY C C 34 174.530 174.530 176.090 -1.560 18018 7470 1 15 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.632 -0.185 18018 7471 1 15 . 1 1 34 34 GLY H H 34 8.873 8.873 8.461 0.412 18018 7472 1 15 . 1 1 35 35 GLU N N 35 123.414 123.414 121.034 2.380 18018 7473 1 15 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.215 -0.038 18018 7474 1 15 . 1 1 35 35 GLU C C 35 178.866 178.866 178.837 0.029 18018 7475 1 15 . 1 1 35 35 GLU CA C 35 59.031 59.031 59.088 -0.057 18018 7476 1 15 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.317 -0.354 18018 7477 1 15 . 1 1 35 35 GLU H H 35 8.920 8.920 7.961 0.959 18018 7478 1 15 . 1 1 36 36 TRP N N 36 124.774 124.774 122.714 2.060 18018 7479 1 15 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.324 0.259 18018 7480 1 15 . 1 1 36 36 TRP C C 36 177.618 177.618 177.692 -0.074 18018 7481 1 15 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.864 -1.246 18018 7482 1 15 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.163 -2.569 18018 7483 1 15 . 1 1 36 36 TRP H H 36 8.510 8.510 7.706 0.804 18018 7484 1 15 . 1 1 37 37 ALA N N 37 123.777 123.777 120.303 3.474 18018 7485 1 15 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.146 0.231 18018 7486 1 15 . 1 1 37 37 ALA C C 37 177.427 177.427 179.098 -1.671 18018 7487 1 15 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.405 -0.556 18018 7488 1 15 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.623 1.423 18018 7489 1 15 . 1 1 37 37 ALA H H 37 9.122 9.122 7.986 1.137 18018 7490 1 15 . 1 1 38 38 ALA N N 38 119.259 119.259 120.556 -1.297 18018 7491 1 15 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.578 -0.084 18018 7492 1 15 . 1 1 38 38 ALA C C 38 178.670 178.670 179.577 -0.907 18018 7493 1 15 . 1 1 38 38 ALA CA C 38 54.443 54.443 55.001 -0.558 18018 7494 1 15 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.134 -0.445 18018 7495 1 15 . 1 1 38 38 ALA H H 38 8.772 8.772 8.418 0.354 18018 7496 1 15 . 1 1 39 39 GLY N N 39 104.027 104.027 104.381 -0.354 18018 7497 1 15 . 1 1 39 39 GLY C C 39 177.232 177.232 175.463 1.769 18018 7498 1 15 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.263 0.159 18018 7499 1 15 . 1 1 39 39 GLY H H 39 7.733 7.733 7.756 -0.023 18018 7500 1 15 . 1 1 40 40 LEU N N 40 125.448 125.448 119.612 5.836 18018 7501 1 15 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.147 -0.062 18018 7502 1 15 . 1 1 40 40 LEU C C 40 178.203 178.203 178.080 0.123 18018 7503 1 15 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.542 1.175 18018 7504 1 15 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.250 -0.911 18018 7505 1 15 . 1 1 40 40 LEU H H 40 7.492 7.492 7.035 0.457 18018 7506 1 15 . 1 1 41 41 LEU N N 41 117.234 117.234 116.218 1.016 18018 7507 1 15 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.904 0.203 18018 7508 1 15 . 1 1 41 41 LEU C C 41 176.119 176.119 177.904 -1.785 18018 7509 1 15 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.378 -2.496 18018 7510 1 15 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.025 -0.372 18018 7511 1 15 . 1 1 41 41 LEU H H 41 7.676 7.676 8.077 -0.401 18018 7512 1 15 . 1 1 42 42 GLY N N 42 109.595 109.595 104.726 4.869 18018 7513 1 15 . 1 1 42 42 GLY C C 42 173.775 173.775 174.702 -0.927 18018 7514 1 15 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.863 0.385 18018 7515 1 15 . 1 1 42 42 GLY H H 42 7.869 7.869 7.810 0.059 18018 7516 1 15 . 1 1 43 43 LYS N N 43 119.965 119.965 120.437 -0.472 18018 7517 1 15 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.363 0.349 18018 7518 1 15 . 1 1 43 43 LYS C C 43 175.246 175.246 176.057 -0.811 18018 7519 1 15 . 1 1 43 43 LYS CA C 43 54.770 54.770 56.010 -1.240 18018 7520 1 15 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.139 0.632 18018 7521 1 15 . 1 1 43 43 LYS H H 43 8.079 8.079 8.103 -0.024 18018 7522 1 15 . 1 1 44 44 THR N N 44 114.199 114.199 109.353 4.846 18018 7523 1 15 . 1 1 44 44 THR HA H 44 4.749 4.749 4.495 0.254 18018 7524 1 15 . 1 1 44 44 THR C C 44 174.392 174.392 175.756 -1.364 18018 7525 1 15 . 1 1 44 44 THR CA C 44 58.992 58.992 60.330 -1.338 18018 7526 1 15 . 1 1 44 44 THR CB C 44 71.762 71.762 71.923 -0.161 18018 7527 1 15 . 1 1 44 44 THR H H 44 8.934 8.934 7.888 1.046 18018 7528 1 15 . 1 1 45 45 GLY N N 45 109.657 109.657 107.308 2.349 18018 7529 1 15 . 1 1 45 45 GLY C C 45 175.330 175.330 174.537 0.793 18018 7530 1 15 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.574 -0.429 18018 7531 1 15 . 1 1 45 45 GLY H H 45 8.862 8.862 8.664 0.198 18018 7532 1 15 . 1 1 46 46 ASP N N 46 128.403 128.403 115.903 12.500 18018 7533 1 15 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.698 -0.165 18018 7534 1 15 . 1 1 46 46 ASP C C 46 177.343 177.343 176.791 0.552 18018 7535 1 15 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.499 1.986 18018 7536 1 15 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.888 -2.010 18018 7537 1 15 . 1 1 46 46 ASP H H 46 9.283 9.283 8.072 1.211 18018 7538 1 15 . 1 1 47 47 ASP N N 47 121.367 121.367 122.474 -1.107 18018 7539 1 15 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.539 0.097 18018 7540 1 15 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.288 -1.149 18018 7541 1 15 . 1 1 47 47 ASP CB C 47 39.976 39.976 41.204 -1.228 18018 7542 1 15 . 1 1 47 47 ASP H H 47 8.488 8.488 7.877 0.611 18018 7543 1 15 . 1 1 48 48 ALA N N 48 123.210 123.210 122.289 0.921 18018 7544 1 15 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.004 -0.087 18018 7545 1 15 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.330 -1.283 18018 7546 1 15 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.549 -1.907 18018 7547 1 15 . 1 1 48 48 ALA H H 48 7.235 7.235 8.662 -1.427 18018 7548 1 15 . 1 1 49 49 ARG N N 49 120.088 120.088 119.040 1.048 18018 7549 1 15 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.937 0.171 18018 7550 1 15 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.421 -0.721 18018 7551 1 15 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.128 -0.563 18018 7552 1 15 . 1 1 49 49 ARG H H 49 7.777 7.777 8.096 -0.319 18018 7553 1 15 . 1 1 50 50 ALA N N 50 120.988 120.988 121.116 -0.128 18018 7554 1 15 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.043 0.148 18018 7555 1 15 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.915 -0.832 18018 7556 1 15 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.337 -1.058 18018 7557 1 15 . 1 1 50 50 ALA H H 50 8.350 8.350 7.495 0.855 18018 7558 1 15 . 1 1 51 51 TYR N N 51 119.264 119.264 120.714 -1.450 18018 7559 1 15 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.090 0.111 18018 7560 1 15 . 1 1 51 51 TYR C C 51 178.335 178.335 177.381 0.954 18018 7561 1 15 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.382 -0.294 18018 7562 1 15 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.573 -0.733 18018 7563 1 15 . 1 1 51 51 TYR H H 51 8.054 8.054 8.256 -0.202 18018 7564 1 15 . 1 1 52 52 ALA N N 52 124.002 124.002 118.221 5.781 18018 7565 1 15 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.290 -0.423 18018 7566 1 15 . 1 1 52 52 ALA C C 52 178.352 178.352 176.310 2.042 18018 7567 1 15 . 1 1 52 52 ALA CA C 52 55.070 55.070 52.785 2.285 18018 7568 1 15 . 1 1 52 52 ALA CB C 52 16.835 16.835 19.201 -2.366 18018 7569 1 15 . 1 1 52 52 ALA H H 52 8.611 8.611 8.233 0.378 18018 7570 1 15 . 1 1 53 53 LEU N N 53 116.323 116.323 115.369 0.954 18018 7571 1 15 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.567 -0.283 18018 7572 1 15 . 1 1 53 53 LEU C C 53 177.452 177.452 176.285 1.167 18018 7573 1 15 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.611 1.251 18018 7574 1 15 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.533 -0.258 18018 7575 1 15 . 1 1 53 53 LEU H H 53 7.591 7.591 7.456 0.135 18018 7576 1 15 . 1 1 54 54 THR N N 54 110.782 110.782 112.988 -2.206 18018 7577 1 15 . 1 1 54 54 THR HA H 54 4.392 4.392 4.385 0.007 18018 7578 1 15 . 1 1 54 54 THR CA C 54 62.390 62.390 61.634 0.756 18018 7579 1 15 . 1 1 54 54 THR H H 54 7.947 7.947 8.116 -0.169 18018 7580 1 15 . 1 1 55 55 VAL N N 55 123.763 123.763 120.824 2.939 18018 7581 1 15 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.088 -0.206 18018 7582 1 15 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.663 0.081 18018 7583 1 15 . 1 1 55 55 VAL CB C 55 29.871 29.871 32.810 -2.939 18018 7584 1 15 . 1 1 55 55 VAL H H 55 7.171 7.171 7.822 -0.651 18018 7585 1 15 . 1 1 56 56 VAL N N 56 118.917 118.917 118.729 0.188 18018 7586 1 15 . 1 1 56 56 VAL HA H 56 4.390 4.390 3.859 0.531 18018 7587 1 15 . 1 1 56 56 VAL CA C 56 60.780 60.780 63.861 -3.081 18018 7588 1 15 . 1 1 56 56 VAL CB C 56 33.490 33.490 31.691 1.799 18018 7589 1 15 . 1 1 56 56 VAL H H 56 7.409 7.409 7.970 -0.561 18018 7590 1 15 . 1 1 57 57 THR N N 57 115.599 115.599 118.666 -3.067 18018 7591 1 15 . 1 1 57 57 THR HA H 57 4.532 4.532 3.993 0.539 18018 7592 1 15 . 1 1 57 57 THR CA C 57 60.614 60.614 63.893 -3.279 18018 7593 1 15 . 1 1 57 57 THR CB C 57 68.892 68.892 68.501 0.390 18018 7594 1 15 . 1 1 57 57 THR H H 57 7.916 7.916 8.820 -0.904 18018 7595 1 15 . 1 1 58 58 SER N N 58 120.007 120.007 115.849 4.158 18018 7596 1 15 . 1 1 58 58 SER HA H 58 4.547 4.547 4.431 0.116 18018 7597 1 15 . 1 1 58 58 SER CA C 58 57.770 57.770 60.262 -2.492 18018 7598 1 15 . 1 1 58 58 SER CB C 58 63.162 63.162 63.936 -0.774 18018 7599 1 15 . 1 1 58 58 SER H H 58 8.580 8.580 7.754 0.826 18018 7600 1 15 . 1 1 59 59 ASP N N 59 122.731 122.731 122.050 0.681 18018 7601 1 15 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.755 -0.065 18018 7602 1 15 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.287 -0.831 18018 7603 1 15 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.586 -0.838 18018 7604 1 15 . 1 1 59 59 ASP H H 59 8.399 8.399 8.124 0.275 18018 7605 1 15 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.544 -0.376 18018 7606 1 15 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.708 1.346 18018 7607 1 15 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.544 -3.731 18018 7608 1 15 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.660 -0.064 18018 7609 1 15 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.475 0.473 18018 7610 1 15 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.320 -0.793 18018 7611 1 15 . 1 1 64 64 GLY N N 64 110.688 110.688 110.802 -0.114 18018 7612 1 15 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.825 -0.155 18018 7613 1 15 . 1 1 64 64 GLY H H 64 8.725 8.725 8.036 0.689 18018 7614 1 15 . 1 1 65 65 ASP N N 65 122.028 122.028 120.388 1.640 18018 7615 1 15 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.274 0.389 18018 7616 1 15 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.787 0.978 18018 7617 1 15 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.714 -0.251 18018 7618 1 15 . 1 1 65 65 ASP H H 65 8.649 8.649 8.360 0.289 18018 7619 1 15 . 1 1 67 67 ASP N N 67 120.095 120.095 118.773 1.322 18018 7620 1 15 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.620 -0.039 18018 7621 1 15 . 1 1 67 67 ASP CA C 67 56.553 56.553 55.182 1.371 18018 7622 1 15 . 1 1 67 67 ASP CB C 67 39.871 39.871 41.255 -1.384 18018 7623 1 15 . 1 1 67 67 ASP H H 67 8.181 8.181 8.479 -0.298 18018 7624 1 15 . 1 1 68 68 VAL N N 68 123.206 123.206 120.070 3.136 18018 7625 1 15 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.825 -0.008 18018 7626 1 15 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.706 1.009 18018 7627 1 15 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.865 -0.440 18018 7628 1 15 . 1 1 68 68 VAL H H 68 8.014 8.014 7.691 0.323 18018 7629 1 15 . 1 1 69 69 PHE N N 69 120.318 120.318 120.777 -0.459 18018 7630 1 15 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.081 0.041 18018 7631 1 15 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.102 -0.360 18018 7632 1 15 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.726 -0.485 18018 7633 1 15 . 1 1 69 69 PHE H H 69 8.501 8.501 8.617 -0.116 18018 7634 1 15 . 1 1 70 70 ARG N N 70 117.820 117.820 118.282 -0.462 18018 7635 1 15 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.783 -0.071 18018 7636 1 15 . 1 1 70 70 ARG C C 70 178.813 178.813 177.410 1.403 18018 7637 1 15 . 1 1 70 70 ARG CA C 70 58.846 58.846 58.835 0.011 18018 7638 1 15 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.846 -0.064 18018 7639 1 15 . 1 1 70 70 ARG H H 70 8.598 8.598 8.581 0.017 18018 7640 1 15 . 1 1 71 71 LYS N N 71 121.726 121.726 118.805 2.921 18018 7641 1 15 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.137 0.086 18018 7642 1 15 . 1 1 71 71 LYS C C 71 177.020 177.020 179.240 -2.220 18018 7643 1 15 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.592 -0.101 18018 7644 1 15 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.783 -0.897 18018 7645 1 15 . 1 1 71 71 LYS H H 71 7.658 7.658 7.466 0.192 18018 7646 1 15 . 1 1 72 72 LEU N N 72 119.355 119.355 121.579 -2.224 18018 7647 1 15 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.093 -0.068 18018 7648 1 15 . 1 1 72 72 LEU C C 72 177.378 177.378 178.824 -1.446 18018 7649 1 15 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.166 -1.180 18018 7650 1 15 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.294 0.552 18018 7651 1 15 . 1 1 72 72 LEU H H 72 8.173 8.173 8.294 -0.121 18018 7652 1 15 . 1 1 73 73 ALA N N 73 121.169 121.169 119.452 1.717 18018 7653 1 15 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.973 -0.241 18018 7654 1 15 . 1 1 73 73 ALA C C 73 179.644 179.644 178.137 1.507 18018 7655 1 15 . 1 1 73 73 ALA CA C 73 53.824 53.824 53.759 0.065 18018 7656 1 15 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.160 -1.624 18018 7657 1 15 . 1 1 73 73 ALA H H 73 9.151 9.151 8.308 0.843 18018 7658 1 15 . 1 1 74 74 ALA N N 74 119.383 119.383 118.643 0.740 18018 7659 1 15 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.173 0.190 18018 7660 1 15 . 1 1 74 74 ALA C C 74 179.752 179.752 178.975 0.777 18018 7661 1 15 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.086 -0.562 18018 7662 1 15 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.435 -0.791 18018 7663 1 15 . 1 1 74 74 ALA H H 74 7.379 7.379 7.514 -0.135 18018 7664 1 15 . 1 1 75 75 ASP N N 75 120.226 120.226 119.963 0.263 18018 7665 1 15 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.606 -0.111 18018 7666 1 15 . 1 1 75 75 ASP C C 75 177.704 177.704 177.670 0.034 18018 7667 1 15 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.154 -0.167 18018 7668 1 15 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.527 -2.583 18018 7669 1 15 . 1 1 75 75 ASP H H 75 8.474 8.474 7.551 0.923 18018 7670 1 15 . 1 1 76 76 LEU N N 76 115.468 115.468 119.729 -4.261 18018 7671 1 15 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.395 -0.003 18018 7672 1 15 . 1 1 76 76 LEU C C 76 174.790 174.790 175.805 -1.015 18018 7673 1 15 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.135 -0.511 18018 7674 1 15 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.246 0.953 18018 7675 1 15 . 1 1 76 76 LEU H H 76 8.599 8.599 7.586 1.013 18018 7676 1 15 . 1 1 77 77 GLU N N 77 124.833 124.833 122.113 2.720 18018 7677 1 15 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.036 0.304 18018 7678 1 15 . 1 1 77 77 GLU C C 77 176.953 176.953 177.705 -0.752 18018 7679 1 15 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.630 0.681 18018 7680 1 15 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.830 -0.215 18018 7681 1 15 . 1 1 77 77 GLU H H 77 7.115 7.115 7.142 -0.027 18018 7682 1 15 . 1 1 78 78 GLY N N 78 118.193 118.193 113.059 5.134 18018 7683 1 15 . 1 1 78 78 GLY C C 78 173.075 173.075 174.536 -1.461 18018 7684 1 15 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.923 -0.818 18018 7685 1 15 . 1 1 78 78 GLY H H 78 9.371 9.371 8.582 0.789 18018 7686 1 15 . 1 1 79 79 LYS N N 79 120.237 120.237 120.264 -0.027 18018 7687 1 15 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.319 0.312 18018 7688 1 15 . 1 1 79 79 LYS C C 79 175.050 175.050 175.386 -0.336 18018 7689 1 15 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.468 -1.243 18018 7690 1 15 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.565 -0.503 18018 7691 1 15 . 1 1 79 79 LYS H H 79 8.799 8.799 8.011 0.788 18018 7692 1 15 . 1 1 80 80 ALA N N 80 121.135 121.135 124.024 -2.889 18018 7693 1 15 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.671 0.193 18018 7694 1 15 . 1 1 80 80 ALA C C 80 174.051 174.051 175.111 -1.060 18018 7695 1 15 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.738 -0.867 18018 7696 1 15 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.739 0.388 18018 7697 1 15 . 1 1 80 80 ALA H H 80 8.126 8.126 7.744 0.382 18018 7698 1 15 . 1 1 81 81 ASP N N 81 121.569 121.569 124.569 -3.000 18018 7699 1 15 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.742 0.126 18018 7700 1 15 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.447 -2.478 18018 7701 1 15 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.424 -1.138 18018 7702 1 15 . 1 1 81 81 ASP H H 81 8.283 8.283 8.612 -0.329 18018 7703 1 15 . 1 1 82 82 GLU N N 82 120.044 120.044 121.460 -1.416 18018 7704 1 15 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.279 -0.113 18018 7705 1 15 . 1 1 82 82 GLU C C 82 177.350 177.350 178.565 -1.215 18018 7706 1 15 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.068 0.150 18018 7707 1 15 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.838 -1.213 18018 7708 1 15 . 1 1 82 82 GLU H H 82 8.891 8.891 8.895 -0.004 18018 7709 1 15 . 1 1 83 83 GLU N N 83 119.348 119.348 118.302 1.046 18018 7710 1 15 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.106 0.041 18018 7711 1 15 . 1 1 83 83 GLU C C 83 178.794 178.794 177.845 0.949 18018 7712 1 15 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.951 0.131 18018 7713 1 15 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.521 -1.146 18018 7714 1 15 . 1 1 83 83 GLU H H 83 8.827 8.827 8.681 0.146 18018 7715 1 15 . 1 1 84 84 THR N N 84 119.678 119.678 112.583 7.095 18018 7716 1 15 . 1 1 84 84 THR HA H 84 4.131 4.131 4.403 -0.272 18018 7717 1 15 . 1 1 84 84 THR C C 84 176.165 176.165 176.153 0.012 18018 7718 1 15 . 1 1 84 84 THR CA C 84 66.422 66.422 64.228 2.193 18018 7719 1 15 . 1 1 84 84 THR CB C 84 65.645 65.645 69.887 -4.242 18018 7720 1 15 . 1 1 84 84 THR H H 84 8.552 8.552 7.916 0.636 18018 7721 1 15 . 1 1 85 85 ILE N N 85 123.677 123.677 123.914 -0.237 18018 7722 1 15 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.812 0.007 18018 7723 1 15 . 1 1 85 85 ILE C C 85 174.809 174.809 177.665 -2.856 18018 7724 1 15 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.486 -0.903 18018 7725 1 15 . 1 1 85 85 ILE CB C 85 38.490 38.490 38.052 0.438 18018 7726 1 15 . 1 1 85 85 ILE H H 85 8.571 8.571 8.402 0.169 18018 7727 1 15 . 1 1 86 86 ARG N N 86 119.556 119.556 119.075 0.481 18018 7728 1 15 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.049 0.122 18018 7729 1 15 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.329 0.290 18018 7730 1 15 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.714 -0.856 18018 7731 1 15 . 1 1 86 86 ARG H H 86 9.093 9.093 8.237 0.856 18018 7732 1 15 . 1 1 87 87 ALA N N 87 121.431 121.431 123.044 -1.613 18018 7733 1 15 . 1 1 87 87 ALA HA H 87 4.288 4.288 3.997 0.291 18018 7734 1 15 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.294 -1.139 18018 7735 1 15 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.917 -0.845 18018 7736 1 15 . 1 1 87 87 ALA H H 87 8.206 8.206 7.761 0.445 18018 7737 1 15 . 1 1 88 88 LYS N N 88 122.850 122.850 118.745 4.105 18018 7738 1 15 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.741 0.241 18018 7739 1 15 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.879 -3.006 18018 7740 1 15 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.685 -1.862 18018 7741 1 15 . 1 1 88 88 LYS H H 88 8.145 8.145 8.240 -0.095 18018 7742 1 15 . 1 1 89 89 MET N N 89 118.786 118.786 119.101 -0.315 18018 7743 1 15 . 1 1 89 89 MET HA H 89 3.810 3.810 4.055 -0.245 18018 7744 1 15 . 1 1 89 89 MET CA C 89 60.096 60.096 59.116 0.980 18018 7745 1 15 . 1 1 89 89 MET CB C 89 32.329 32.329 32.679 -0.350 18018 7746 1 15 . 1 1 89 89 MET H H 89 8.468 8.468 8.056 0.412 18018 7747 1 15 . 1 1 90 90 VAL N N 90 120.770 120.770 119.133 1.637 18018 7748 1 15 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.544 0.283 18018 7749 1 15 . 1 1 90 90 VAL C C 90 178.017 178.017 178.555 -0.538 18018 7750 1 15 . 1 1 90 90 VAL CA C 90 65.625 65.625 67.070 -1.445 18018 7751 1 15 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.446 0.293 18018 7752 1 15 . 1 1 90 90 VAL H H 90 7.504 7.504 7.988 -0.484 18018 7753 1 15 . 1 1 91 91 GLU N N 91 124.409 124.409 117.757 6.652 18018 7754 1 15 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.059 -0.271 18018 7755 1 15 . 1 1 91 91 GLU C C 91 177.612 177.612 177.252 0.360 18018 7756 1 15 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.759 -0.345 18018 7757 1 15 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.528 1.916 18018 7758 1 15 . 1 1 91 91 GLU H H 91 8.486 8.486 8.265 0.221 18018 7759 1 15 . 1 1 92 92 LEU N N 92 114.680 114.680 116.156 -1.476 18018 7760 1 15 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.503 -0.113 18018 7761 1 15 . 1 1 92 92 LEU C C 92 177.928 177.928 178.144 -0.216 18018 7762 1 15 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.723 0.911 18018 7763 1 15 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.749 -2.408 18018 7764 1 15 . 1 1 92 92 LEU H H 92 8.823 8.823 7.295 1.528 18018 7765 1 15 . 1 1 93 93 ARG N N 93 123.603 123.603 121.833 1.770 18018 7766 1 15 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.005 -0.062 18018 7767 1 15 . 1 1 93 93 ARG C C 93 176.350 176.350 178.280 -1.930 18018 7768 1 15 . 1 1 93 93 ARG CA C 93 59.581 59.581 59.643 -0.062 18018 7769 1 15 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.808 -0.905 18018 7770 1 15 . 1 1 93 93 ARG H H 93 7.690 7.690 7.819 -0.129 18018 7771 1 15 . 1 1 94 94 ALA N N 94 122.480 122.480 119.804 2.676 18018 7772 1 15 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.166 0.095 18018 7773 1 15 . 1 1 94 94 ALA C C 94 179.805 179.805 178.975 0.830 18018 7774 1 15 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.206 -0.677 18018 7775 1 15 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.067 -1.131 18018 7776 1 15 . 1 1 94 94 ALA H H 94 7.269 7.269 7.659 -0.390 18018 7777 1 15 . 1 1 95 95 THR N N 95 116.936 116.936 113.989 2.947 18018 7778 1 15 . 1 1 95 95 THR HA H 95 4.045 4.045 4.038 0.007 18018 7779 1 15 . 1 1 95 95 THR C C 95 175.007 175.007 176.409 -1.402 18018 7780 1 15 . 1 1 95 95 THR CA C 95 65.569 65.569 66.332 -0.763 18018 7781 1 15 . 1 1 95 95 THR CB C 95 68.334 68.334 68.740 -0.406 18018 7782 1 15 . 1 1 95 95 THR H H 95 8.282 8.282 7.794 0.488 18018 7783 1 15 . 1 1 96 96 ALA N N 96 124.095 124.095 123.782 0.313 18018 7784 1 15 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.034 -0.172 18018 7785 1 15 . 1 1 96 96 ALA C C 96 178.184 178.184 179.245 -1.061 18018 7786 1 15 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.835 -0.086 18018 7787 1 15 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.310 0.460 18018 7788 1 15 . 1 1 96 96 ALA H H 96 8.681 8.681 7.762 0.919 18018 7789 1 15 . 1 1 97 97 ARG N N 97 117.328 117.328 114.276 3.052 18018 7790 1 15 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.076 -0.290 18018 7791 1 15 . 1 1 97 97 ARG C C 97 176.770 176.770 176.636 0.134 18018 7792 1 15 . 1 1 97 97 ARG CA C 97 59.561 59.561 58.255 1.306 18018 7793 1 15 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.038 -0.422 18018 7794 1 15 . 1 1 97 97 ARG H H 97 8.070 8.070 7.544 0.526 18018 7795 1 15 . 1 1 98 98 GLU N N 98 118.245 118.245 117.140 1.105 18018 7796 1 15 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.566 -0.451 18018 7797 1 15 . 1 1 98 98 GLU C C 98 178.865 178.865 178.227 0.638 18018 7798 1 15 . 1 1 98 98 GLU CA C 98 58.489 58.489 56.876 1.613 18018 7799 1 15 . 1 1 98 98 GLU CB C 98 28.512 28.512 30.952 -2.440 18018 7800 1 15 . 1 1 98 98 GLU H H 98 7.855 7.855 7.945 -0.090 18018 7801 1 15 . 1 1 99 99 GLN N N 99 119.735 119.735 120.048 -0.313 18018 7802 1 15 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.083 0.088 18018 7803 1 15 . 1 1 99 99 GLN C C 99 178.146 178.146 177.947 0.199 18018 7804 1 15 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.358 -0.113 18018 7805 1 15 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.511 -1.417 18018 7806 1 15 . 1 1 99 99 GLN H H 99 8.312 8.312 8.400 -0.088 18018 7807 1 15 . 1 1 100 100 ILE N N 100 119.864 119.864 119.400 0.464 18018 7808 1 15 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.812 0.138 18018 7809 1 15 . 1 1 100 100 ILE C C 100 178.315 178.315 177.979 0.336 18018 7810 1 15 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.086 -1.482 18018 7811 1 15 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.268 -1.772 18018 7812 1 15 . 1 1 100 100 ILE H H 100 8.445 8.445 7.408 1.037 18018 7813 1 15 . 1 1 101 101 ILE N N 101 120.514 120.514 119.811 0.703 18018 7814 1 15 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.932 0.080 18018 7815 1 15 . 1 1 101 101 ILE C C 101 177.006 177.006 178.767 -1.761 18018 7816 1 15 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.780 0.197 18018 7817 1 15 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.618 0.043 18018 7818 1 15 . 1 1 101 101 ILE H H 101 8.329 8.329 7.628 0.701 18018 7819 1 15 . 1 1 102 102 SER N N 102 116.172 116.172 115.790 0.382 18018 7820 1 15 . 1 1 102 102 SER HA H 102 4.562 4.562 4.248 0.314 18018 7821 1 15 . 1 1 102 102 SER C C 102 173.845 173.845 175.773 -1.928 18018 7822 1 15 . 1 1 102 102 SER CA C 102 59.502 59.502 61.211 -1.709 18018 7823 1 15 . 1 1 102 102 SER CB C 102 63.012 63.012 63.376 -0.364 18018 7824 1 15 . 1 1 102 102 SER H H 102 7.882 7.882 8.438 -0.556 18018 7825 1 15 . 1 1 103 103 GLU N N 103 122.642 122.642 119.805 2.837 18018 7826 1 15 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.318 0.122 18018 7827 1 15 . 1 1 103 103 GLU C C 103 175.095 175.095 176.452 -1.357 18018 7828 1 15 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.026 -0.398 18018 7829 1 15 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.120 -0.307 18018 7830 1 15 . 1 1 103 103 GLU H H 103 7.735 7.735 7.598 0.137 18018 7831 1 16 . 1 1 4 4 PHE N N 4 122.548 122.548 120.475 2.073 18018 7832 1 16 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.722 -0.039 18018 7833 1 16 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.633 -0.026 18018 7834 1 16 . 1 1 4 4 PHE CB C 4 38.895 38.895 41.137 -2.242 18018 7835 1 16 . 1 1 4 4 PHE H H 4 8.328 8.328 8.363 -0.035 18018 7836 1 16 . 1 1 7 7 ARG N N 7 121.962 121.962 116.589 5.373 18018 7837 1 16 . 1 1 7 7 ARG HA H 7 4.256 4.256 3.976 0.280 18018 7838 1 16 . 1 1 7 7 ARG C C 7 176.683 176.683 174.857 1.826 18018 7839 1 16 . 1 1 7 7 ARG CA C 7 57.087 57.087 56.478 0.609 18018 7840 1 16 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.192 0.171 18018 7841 1 16 . 1 1 7 7 ARG H H 7 8.321 8.321 8.382 -0.061 18018 7842 1 16 . 1 1 8 8 GLU N N 8 121.095 121.095 117.593 3.502 18018 7843 1 16 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.183 0.068 18018 7844 1 16 . 1 1 8 8 GLU C C 8 176.964 176.964 176.826 0.138 18018 7845 1 16 . 1 1 8 8 GLU CA C 8 56.933 56.933 56.894 0.039 18018 7846 1 16 . 1 1 8 8 GLU CB C 8 28.855 28.855 30.091 -1.236 18018 7847 1 16 . 1 1 8 8 GLU H H 8 8.388 8.388 8.072 0.316 18018 7848 1 16 . 1 1 9 9 ARG N N 9 121.310 121.310 120.415 0.895 18018 7849 1 16 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.134 0.206 18018 7850 1 16 . 1 1 9 9 ARG C C 9 176.563 176.563 174.878 1.685 18018 7851 1 16 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.382 -0.969 18018 7852 1 16 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.026 1.643 18018 7853 1 16 . 1 1 9 9 ARG H H 9 8.268 8.268 8.701 -0.433 18018 7854 1 16 . 1 1 10 10 ALA N N 10 124.224 124.224 123.487 0.737 18018 7855 1 16 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.425 -0.107 18018 7856 1 16 . 1 1 10 10 ALA C C 10 178.129 178.129 177.495 0.634 18018 7857 1 16 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.930 0.017 18018 7858 1 16 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.678 -1.922 18018 7859 1 16 . 1 1 10 10 ALA H H 10 8.222 8.222 8.615 -0.393 18018 7860 1 16 . 1 1 11 11 HIS N N 11 118.081 118.081 118.752 -0.671 18018 7861 1 16 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.723 -0.024 18018 7862 1 16 . 1 1 11 11 HIS C C 11 175.013 175.013 177.743 -2.730 18018 7863 1 16 . 1 1 11 11 HIS CA C 11 56.255 56.255 59.665 -3.410 18018 7864 1 16 . 1 1 11 11 HIS CB C 11 28.767 28.767 30.458 -1.691 18018 7865 1 16 . 1 1 11 11 HIS H H 11 8.486 8.486 7.822 0.664 18018 7866 1 16 . 1 1 12 12 GLU N N 12 121.492 121.492 118.290 3.202 18018 7867 1 16 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.262 0.016 18018 7868 1 16 . 1 1 12 12 GLU C C 12 176.808 176.808 175.684 1.124 18018 7869 1 16 . 1 1 12 12 GLU CA C 12 57.621 57.621 57.895 -0.274 18018 7870 1 16 . 1 1 12 12 GLU CB C 12 28.853 28.853 28.499 0.354 18018 7871 1 16 . 1 1 12 12 GLU H H 12 8.370 8.370 8.844 -0.474 18018 7872 1 16 . 1 1 13 13 ALA N N 13 123.583 123.583 119.222 4.361 18018 7873 1 16 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.343 -0.039 18018 7874 1 16 . 1 1 13 13 ALA C C 13 178.197 178.197 178.030 0.167 18018 7875 1 16 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.263 0.788 18018 7876 1 16 . 1 1 13 13 ALA CB C 13 17.788 17.788 20.138 -2.350 18018 7877 1 16 . 1 1 13 13 ALA H H 13 8.426 8.426 7.603 0.823 18018 7878 1 16 . 1 1 14 14 LYS N N 14 119.772 119.772 121.508 -1.736 18018 7879 1 16 . 1 1 14 14 LYS HA H 14 4.218 4.218 4.013 0.205 18018 7880 1 16 . 1 1 14 14 LYS C C 14 176.757 176.757 179.100 -2.343 18018 7881 1 16 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.938 -1.828 18018 7882 1 16 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.843 -0.100 18018 7883 1 16 . 1 1 14 14 LYS H H 14 8.073 8.073 7.563 0.510 18018 7884 1 16 . 1 1 15 15 PHE N N 15 118.073 118.073 116.799 1.274 18018 7885 1 16 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.434 0.010 18018 7886 1 16 . 1 1 15 15 PHE C C 15 175.635 175.635 177.963 -2.328 18018 7887 1 16 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.221 -1.220 18018 7888 1 16 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.274 0.217 18018 7889 1 16 . 1 1 15 15 PHE H H 15 7.926 7.926 7.200 0.726 18018 7890 1 16 . 1 1 16 16 ALA N N 16 122.453 122.453 120.585 1.868 18018 7891 1 16 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.108 0.198 18018 7892 1 16 . 1 1 16 16 ALA C C 16 177.641 177.641 178.368 -0.727 18018 7893 1 16 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.197 -1.145 18018 7894 1 16 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.281 -0.260 18018 7895 1 16 . 1 1 16 16 ALA H H 16 8.137 8.137 7.999 0.138 18018 7896 1 16 . 1 1 17 17 HIS N N 17 115.587 115.587 116.954 -1.367 18018 7897 1 16 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.828 -0.003 18018 7898 1 16 . 1 1 17 17 HIS CA C 17 55.095 55.095 55.276 -0.181 18018 7899 1 16 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.101 -0.143 18018 7900 1 16 . 1 1 17 17 HIS H H 17 8.051 8.051 7.839 0.212 18018 7901 1 16 . 1 1 18 18 ASP N N 18 121.432 121.432 118.688 2.744 18018 7902 1 16 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.236 0.554 18018 7903 1 16 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.644 -2.062 18018 7904 1 16 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.204 0.583 18018 7905 1 16 . 1 1 18 18 ASP H H 18 7.913 7.913 7.703 0.210 18018 7906 1 16 . 1 1 19 19 ALA N N 19 126.983 126.983 121.253 5.730 18018 7907 1 16 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.862 0.434 18018 7908 1 16 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.657 -0.610 18018 7909 1 16 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.098 0.761 18018 7910 1 16 . 1 1 19 19 ALA H H 19 8.599 8.599 8.571 0.028 18018 7911 1 16 . 1 1 20 20 GLU N N 20 119.997 119.997 119.747 0.250 18018 7912 1 16 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.190 0.139 18018 7913 1 16 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.982 -0.604 18018 7914 1 16 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.718 -0.841 18018 7915 1 16 . 1 1 20 20 GLU H H 20 8.377 8.377 8.115 0.262 18018 7916 1 16 . 1 1 21 21 LEU N N 21 122.484 122.484 121.115 1.369 18018 7917 1 16 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.180 -0.017 18018 7918 1 16 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.455 -1.330 18018 7919 1 16 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.829 -0.799 18018 7920 1 16 . 1 1 21 21 LEU H H 21 8.117 8.117 7.529 0.588 18018 7921 1 16 . 1 1 22 22 ASN N N 22 117.879 117.879 117.523 0.356 18018 7922 1 16 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.360 0.332 18018 7923 1 16 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.446 -0.108 18018 7924 1 16 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.878 2.260 18018 7925 1 16 . 1 1 22 22 ASN H H 22 8.507 8.507 8.026 0.481 18018 7926 1 16 . 1 1 23 23 PHE N N 23 121.096 121.096 121.630 -0.534 18018 7927 1 16 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.228 0.235 18018 7928 1 16 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.545 -1.306 18018 7929 1 16 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.356 -1.324 18018 7930 1 16 . 1 1 23 23 PHE H H 23 8.465 8.465 7.945 0.520 18018 7931 1 16 . 1 1 24 24 LYS N N 24 120.580 120.580 118.466 2.114 18018 7932 1 16 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.816 0.355 18018 7933 1 16 . 1 1 24 24 LYS C C 24 179.309 179.309 178.898 0.411 18018 7934 1 16 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.201 -0.160 18018 7935 1 16 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.942 0.445 18018 7936 1 16 . 1 1 24 24 LYS H H 24 8.427 8.427 7.916 0.511 18018 7937 1 16 . 1 1 25 25 ALA N N 25 123.682 123.682 120.589 3.093 18018 7938 1 16 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.259 -0.138 18018 7939 1 16 . 1 1 25 25 ALA C C 25 178.243 178.243 179.378 -1.135 18018 7940 1 16 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.853 -0.388 18018 7941 1 16 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.278 -0.579 18018 7942 1 16 . 1 1 25 25 ALA H H 25 8.768 8.768 8.429 0.339 18018 7943 1 16 . 1 1 26 26 GLU N N 26 122.051 122.051 119.824 2.227 18018 7944 1 16 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.944 0.077 18018 7945 1 16 . 1 1 26 26 GLU C C 26 177.265 177.265 178.081 -0.816 18018 7946 1 16 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.194 -0.733 18018 7947 1 16 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.215 -0.453 18018 7948 1 16 . 1 1 26 26 GLU H H 26 8.532 8.532 7.630 0.902 18018 7949 1 16 . 1 1 27 27 ALA N N 27 122.124 122.124 121.741 0.383 18018 7950 1 16 . 1 1 27 27 ALA HA H 27 4.325 4.325 3.973 0.352 18018 7951 1 16 . 1 1 27 27 ALA C C 27 180.552 180.552 179.372 1.180 18018 7952 1 16 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.634 -0.465 18018 7953 1 16 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.517 -1.408 18018 7954 1 16 . 1 1 27 27 ALA H H 27 8.048 8.048 7.192 0.856 18018 7955 1 16 . 1 1 28 28 ARG N N 28 120.501 120.501 119.071 1.430 18018 7956 1 16 . 1 1 28 28 ARG HA H 28 4.412 4.412 3.945 0.467 18018 7957 1 16 . 1 1 28 28 ARG C C 28 176.309 176.309 178.599 -2.290 18018 7958 1 16 . 1 1 28 28 ARG CA C 28 55.969 55.969 59.578 -3.610 18018 7959 1 16 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.131 -3.216 18018 7960 1 16 . 1 1 28 28 ARG H H 28 8.046 8.046 7.942 0.104 18018 7961 1 16 . 1 1 29 29 ARG N N 29 122.842 122.842 117.124 5.718 18018 7962 1 16 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.966 -0.268 18018 7963 1 16 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.317 0.099 18018 7964 1 16 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.602 -1.454 18018 7965 1 16 . 1 1 29 29 ARG H H 29 8.908 8.908 8.335 0.573 18018 7966 1 16 . 1 1 30 30 ASN N N 30 120.150 120.150 118.534 1.616 18018 7967 1 16 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.502 0.132 18018 7968 1 16 . 1 1 30 30 ASN C C 30 175.888 175.888 177.162 -1.274 18018 7969 1 16 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.834 -0.427 18018 7970 1 16 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.222 -2.287 18018 7971 1 16 . 1 1 30 30 ASN H H 30 8.402 8.402 7.757 0.645 18018 7972 1 16 . 1 1 31 31 ARG N N 31 123.400 123.400 121.187 2.213 18018 7973 1 16 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.097 0.185 18018 7974 1 16 . 1 1 31 31 ARG C C 31 177.804 177.804 178.381 -0.577 18018 7975 1 16 . 1 1 31 31 ARG CA C 31 58.950 58.950 58.941 0.009 18018 7976 1 16 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.900 -0.779 18018 7977 1 16 . 1 1 31 31 ARG H H 31 7.996 7.996 8.184 -0.188 18018 7978 1 16 . 1 1 32 32 LEU N N 32 119.872 119.872 119.965 -0.093 18018 7979 1 16 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.061 0.230 18018 7980 1 16 . 1 1 32 32 LEU C C 32 180.602 180.602 179.555 1.047 18018 7981 1 16 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.347 -1.101 18018 7982 1 16 . 1 1 32 32 LEU CB C 32 41.170 41.170 40.953 0.217 18018 7983 1 16 . 1 1 32 32 LEU H H 32 8.742 8.742 8.233 0.509 18018 7984 1 16 . 1 1 33 33 LEU N N 33 124.468 124.468 119.370 5.098 18018 7985 1 16 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.204 0.097 18018 7986 1 16 . 1 1 33 33 LEU C C 33 177.992 177.992 179.000 -1.008 18018 7987 1 16 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.686 -0.671 18018 7988 1 16 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.486 0.753 18018 7989 1 16 . 1 1 33 33 LEU H H 33 9.249 9.249 7.402 1.847 18018 7990 1 16 . 1 1 34 34 GLY N N 34 109.045 109.045 107.361 1.684 18018 7991 1 16 . 1 1 34 34 GLY C C 34 174.530 174.530 176.142 -1.612 18018 7992 1 16 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.519 -0.072 18018 7993 1 16 . 1 1 34 34 GLY H H 34 8.873 8.873 8.678 0.195 18018 7994 1 16 . 1 1 35 35 GLU N N 35 123.414 123.414 121.738 1.676 18018 7995 1 16 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.144 0.033 18018 7996 1 16 . 1 1 35 35 GLU C C 35 178.866 178.866 178.993 -0.127 18018 7997 1 16 . 1 1 35 35 GLU CA C 35 59.031 59.031 59.076 -0.045 18018 7998 1 16 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.495 -0.532 18018 7999 1 16 . 1 1 35 35 GLU H H 35 8.920 8.920 8.533 0.387 18018 8000 1 16 . 1 1 36 36 TRP N N 36 124.774 124.774 122.525 2.249 18018 8001 1 16 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.206 0.377 18018 8002 1 16 . 1 1 36 36 TRP C C 36 177.618 177.618 177.693 -0.075 18018 8003 1 16 . 1 1 36 36 TRP CA C 36 59.618 59.618 61.371 -1.753 18018 8004 1 16 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.133 -2.539 18018 8005 1 16 . 1 1 36 36 TRP H H 36 8.510 8.510 8.238 0.272 18018 8006 1 16 . 1 1 37 37 ALA N N 37 123.777 123.777 119.919 3.858 18018 8007 1 16 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.135 0.242 18018 8008 1 16 . 1 1 37 37 ALA C C 37 177.427 177.427 179.093 -1.666 18018 8009 1 16 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.362 -0.513 18018 8010 1 16 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.701 1.345 18018 8011 1 16 . 1 1 37 37 ALA H H 37 9.122 9.122 7.726 1.396 18018 8012 1 16 . 1 1 38 38 ALA N N 38 119.259 119.259 119.370 -0.111 18018 8013 1 16 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.370 0.124 18018 8014 1 16 . 1 1 38 38 ALA C C 38 178.670 178.670 178.916 -0.246 18018 8015 1 16 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.653 -0.210 18018 8016 1 16 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.055 -0.366 18018 8017 1 16 . 1 1 38 38 ALA H H 38 8.772 8.772 8.024 0.748 18018 8018 1 16 . 1 1 39 39 GLY N N 39 104.027 104.027 107.215 -3.188 18018 8019 1 16 . 1 1 39 39 GLY C C 39 177.232 177.232 176.653 0.579 18018 8020 1 16 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.799 -0.377 18018 8021 1 16 . 1 1 39 39 GLY H H 39 7.733 7.733 7.497 0.236 18018 8022 1 16 . 1 1 40 40 LEU N N 40 125.448 125.448 122.225 3.223 18018 8023 1 16 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.841 0.244 18018 8024 1 16 . 1 1 40 40 LEU C C 40 178.203 178.203 177.994 0.209 18018 8025 1 16 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.828 -0.110 18018 8026 1 16 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.679 -0.340 18018 8027 1 16 . 1 1 40 40 LEU H H 40 7.492 7.492 7.117 0.375 18018 8028 1 16 . 1 1 41 41 LEU N N 41 117.234 117.234 113.692 3.542 18018 8029 1 16 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.032 0.075 18018 8030 1 16 . 1 1 41 41 LEU C C 41 176.119 176.119 176.938 -0.819 18018 8031 1 16 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.046 -1.164 18018 8032 1 16 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.869 -0.216 18018 8033 1 16 . 1 1 41 41 LEU H H 41 7.676 7.676 7.756 -0.080 18018 8034 1 16 . 1 1 42 42 GLY N N 42 109.595 109.595 105.720 3.875 18018 8035 1 16 . 1 1 42 42 GLY C C 42 173.775 173.775 174.884 -1.109 18018 8036 1 16 . 1 1 42 42 GLY CA C 42 45.248 45.248 45.328 -0.080 18018 8037 1 16 . 1 1 42 42 GLY H H 42 7.869 7.869 7.438 0.431 18018 8038 1 16 . 1 1 43 43 LYS N N 43 119.965 119.965 120.761 -0.796 18018 8039 1 16 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.389 0.323 18018 8040 1 16 . 1 1 43 43 LYS C C 43 175.246 175.246 176.323 -1.077 18018 8041 1 16 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.669 -0.899 18018 8042 1 16 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.482 0.289 18018 8043 1 16 . 1 1 43 43 LYS H H 43 8.079 8.079 7.927 0.152 18018 8044 1 16 . 1 1 44 44 THR N N 44 114.199 114.199 108.661 5.538 18018 8045 1 16 . 1 1 44 44 THR HA H 44 4.749 4.749 4.427 0.322 18018 8046 1 16 . 1 1 44 44 THR C C 44 174.392 174.392 174.252 0.140 18018 8047 1 16 . 1 1 44 44 THR CA C 44 58.992 58.992 60.711 -1.719 18018 8048 1 16 . 1 1 44 44 THR CB C 44 71.762 71.762 71.796 -0.034 18018 8049 1 16 . 1 1 44 44 THR H H 44 8.934 8.934 7.878 1.056 18018 8050 1 16 . 1 1 45 45 GLY N N 45 109.657 109.657 110.708 -1.051 18018 8051 1 16 . 1 1 45 45 GLY C C 45 175.330 175.330 173.787 1.543 18018 8052 1 16 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.478 -0.333 18018 8053 1 16 . 1 1 45 45 GLY H H 45 8.862 8.862 8.519 0.343 18018 8054 1 16 . 1 1 46 46 ASP N N 46 128.403 128.403 124.178 4.225 18018 8055 1 16 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.993 -0.460 18018 8056 1 16 . 1 1 46 46 ASP C C 46 177.343 177.343 176.999 0.344 18018 8057 1 16 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.006 2.479 18018 8058 1 16 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.365 -2.487 18018 8059 1 16 . 1 1 46 46 ASP H H 46 9.283 9.283 8.344 0.939 18018 8060 1 16 . 1 1 47 47 ASP N N 47 121.367 121.367 121.440 -0.073 18018 8061 1 16 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.443 0.193 18018 8062 1 16 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.342 -1.202 18018 8063 1 16 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.678 -0.702 18018 8064 1 16 . 1 1 47 47 ASP H H 47 8.488 8.488 8.037 0.451 18018 8065 1 16 . 1 1 48 48 ALA N N 48 123.210 123.210 121.472 1.738 18018 8066 1 16 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.043 -0.126 18018 8067 1 16 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.972 -0.925 18018 8068 1 16 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.772 -2.130 18018 8069 1 16 . 1 1 48 48 ALA H H 48 7.235 7.235 7.802 -0.567 18018 8070 1 16 . 1 1 49 49 ARG N N 49 120.088 120.088 119.820 0.268 18018 8071 1 16 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.012 0.096 18018 8072 1 16 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.005 -0.305 18018 8073 1 16 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.105 -0.540 18018 8074 1 16 . 1 1 49 49 ARG H H 49 7.777 7.777 7.466 0.311 18018 8075 1 16 . 1 1 50 50 ALA N N 50 120.988 120.988 121.298 -0.310 18018 8076 1 16 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.032 0.159 18018 8077 1 16 . 1 1 50 50 ALA CA C 50 54.083 54.083 55.041 -0.958 18018 8078 1 16 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.300 -1.021 18018 8079 1 16 . 1 1 50 50 ALA H H 50 8.350 8.350 7.986 0.364 18018 8080 1 16 . 1 1 51 51 TYR N N 51 119.264 119.264 120.585 -1.321 18018 8081 1 16 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.093 0.108 18018 8082 1 16 . 1 1 51 51 TYR C C 51 178.335 178.335 177.541 0.794 18018 8083 1 16 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.432 -0.345 18018 8084 1 16 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.456 -0.616 18018 8085 1 16 . 1 1 51 51 TYR H H 51 8.054 8.054 7.676 0.378 18018 8086 1 16 . 1 1 52 52 ALA N N 52 124.002 124.002 118.992 5.010 18018 8087 1 16 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.292 -0.425 18018 8088 1 16 . 1 1 52 52 ALA C C 52 178.352 178.352 177.449 0.903 18018 8089 1 16 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.487 1.583 18018 8090 1 16 . 1 1 52 52 ALA CB C 52 16.835 16.835 19.039 -2.204 18018 8091 1 16 . 1 1 52 52 ALA H H 52 8.611 8.611 7.709 0.902 18018 8092 1 16 . 1 1 53 53 LEU N N 53 116.323 116.323 116.500 -0.177 18018 8093 1 16 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.558 -0.274 18018 8094 1 16 . 1 1 53 53 LEU C C 53 177.452 177.452 176.514 0.938 18018 8095 1 16 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.301 1.561 18018 8096 1 16 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.606 -0.331 18018 8097 1 16 . 1 1 53 53 LEU H H 53 7.591 7.591 7.427 0.164 18018 8098 1 16 . 1 1 54 54 THR N N 54 110.782 110.782 114.534 -3.752 18018 8099 1 16 . 1 1 54 54 THR HA H 54 4.392 4.392 4.462 -0.070 18018 8100 1 16 . 1 1 54 54 THR CA C 54 62.390 62.390 62.479 -0.089 18018 8101 1 16 . 1 1 54 54 THR H H 54 7.947 7.947 7.977 -0.030 18018 8102 1 16 . 1 1 55 55 VAL N N 55 123.763 123.763 117.046 6.717 18018 8103 1 16 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.451 -0.569 18018 8104 1 16 . 1 1 55 55 VAL CA C 55 62.744 62.744 61.295 1.449 18018 8105 1 16 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.901 -2.030 18018 8106 1 16 . 1 1 55 55 VAL H H 55 7.171 7.171 7.559 -0.388 18018 8107 1 16 . 1 1 56 56 VAL N N 56 118.917 118.917 118.060 0.857 18018 8108 1 16 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.429 -0.039 18018 8109 1 16 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.124 -1.345 18018 8110 1 16 . 1 1 56 56 VAL CB C 56 33.490 33.490 32.348 1.142 18018 8111 1 16 . 1 1 56 56 VAL H H 56 7.409 7.409 7.833 -0.424 18018 8112 1 16 . 1 1 57 57 THR N N 57 115.599 115.599 114.200 1.399 18018 8113 1 16 . 1 1 57 57 THR HA H 57 4.532 4.532 4.399 0.133 18018 8114 1 16 . 1 1 57 57 THR CA C 57 60.614 60.614 62.886 -2.272 18018 8115 1 16 . 1 1 57 57 THR CB C 57 68.892 68.892 69.187 -0.295 18018 8116 1 16 . 1 1 57 57 THR H H 57 7.916 7.916 7.733 0.183 18018 8117 1 16 . 1 1 58 58 SER N N 58 120.007 120.007 119.920 0.087 18018 8118 1 16 . 1 1 58 58 SER HA H 58 4.547 4.547 4.627 -0.080 18018 8119 1 16 . 1 1 58 58 SER CA C 58 57.770 57.770 58.947 -1.177 18018 8120 1 16 . 1 1 58 58 SER CB C 58 63.162 63.162 64.087 -0.925 18018 8121 1 16 . 1 1 58 58 SER H H 58 8.580 8.580 8.314 0.266 18018 8122 1 16 . 1 1 59 59 ASP N N 59 122.731 122.731 117.755 4.976 18018 8123 1 16 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.732 -0.042 18018 8124 1 16 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.270 -0.814 18018 8125 1 16 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.003 -0.255 18018 8126 1 16 . 1 1 59 59 ASP H H 59 8.399 8.399 8.337 0.062 18018 8127 1 16 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.779 -0.611 18018 8128 1 16 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.391 1.663 18018 8129 1 16 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.665 -4.852 18018 8130 1 16 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.449 0.147 18018 8131 1 16 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.822 0.126 18018 8132 1 16 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.328 -0.801 18018 8133 1 16 . 1 1 64 64 GLY N N 64 110.688 110.688 108.930 1.758 18018 8134 1 16 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.313 -0.643 18018 8135 1 16 . 1 1 64 64 GLY H H 64 8.725 8.725 8.588 0.137 18018 8136 1 16 . 1 1 65 65 ASP N N 65 122.028 122.028 121.856 0.172 18018 8137 1 16 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.304 0.359 18018 8138 1 16 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.731 1.034 18018 8139 1 16 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.278 0.184 18018 8140 1 16 . 1 1 65 65 ASP H H 65 8.649 8.649 8.278 0.371 18018 8141 1 16 . 1 1 67 67 ASP N N 67 120.095 120.095 118.869 1.226 18018 8142 1 16 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.652 -0.071 18018 8143 1 16 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.657 -0.104 18018 8144 1 16 . 1 1 67 67 ASP CB C 67 39.871 39.871 41.209 -1.338 18018 8145 1 16 . 1 1 67 67 ASP H H 67 8.181 8.181 8.409 -0.228 18018 8146 1 16 . 1 1 68 68 VAL N N 68 123.206 123.206 119.762 3.444 18018 8147 1 16 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.757 0.060 18018 8148 1 16 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.382 0.333 18018 8149 1 16 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.397 0.028 18018 8150 1 16 . 1 1 68 68 VAL H H 68 8.014 8.014 7.878 0.136 18018 8151 1 16 . 1 1 69 69 PHE N N 69 120.318 120.318 120.936 -0.618 18018 8152 1 16 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.063 0.059 18018 8153 1 16 . 1 1 69 69 PHE CA C 69 61.742 61.742 62.364 -0.622 18018 8154 1 16 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.962 -0.721 18018 8155 1 16 . 1 1 69 69 PHE H H 69 8.501 8.501 7.990 0.511 18018 8156 1 16 . 1 1 70 70 ARG N N 70 117.820 117.820 118.080 -0.260 18018 8157 1 16 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.975 -0.263 18018 8158 1 16 . 1 1 70 70 ARG C C 70 178.813 178.813 178.779 0.034 18018 8159 1 16 . 1 1 70 70 ARG CA C 70 58.846 58.846 58.788 0.058 18018 8160 1 16 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.640 0.142 18018 8161 1 16 . 1 1 70 70 ARG H H 70 8.598 8.598 8.349 0.249 18018 8162 1 16 . 1 1 71 71 LYS N N 71 121.726 121.726 119.950 1.776 18018 8163 1 16 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.126 0.097 18018 8164 1 16 . 1 1 71 71 LYS C C 71 177.020 177.020 178.984 -1.964 18018 8165 1 16 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.138 -0.648 18018 8166 1 16 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.478 -0.592 18018 8167 1 16 . 1 1 71 71 LYS H H 71 7.658 7.658 7.420 0.238 18018 8168 1 16 . 1 1 72 72 LEU N N 72 119.355 119.355 119.579 -0.224 18018 8169 1 16 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.443 -0.418 18018 8170 1 16 . 1 1 72 72 LEU C C 72 177.378 177.378 178.357 -0.979 18018 8171 1 16 . 1 1 72 72 LEU CA C 72 56.986 56.986 56.331 0.655 18018 8172 1 16 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.648 0.198 18018 8173 1 16 . 1 1 72 72 LEU H H 72 8.173 8.173 8.052 0.121 18018 8174 1 16 . 1 1 73 73 ALA N N 73 121.169 121.169 120.748 0.421 18018 8175 1 16 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.946 -0.214 18018 8176 1 16 . 1 1 73 73 ALA C C 73 179.644 179.644 177.666 1.978 18018 8177 1 16 . 1 1 73 73 ALA CA C 73 53.824 53.824 53.955 -0.131 18018 8178 1 16 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.131 -1.595 18018 8179 1 16 . 1 1 73 73 ALA H H 73 9.151 9.151 8.287 0.864 18018 8180 1 16 . 1 1 74 74 ALA N N 74 119.383 119.383 120.026 -0.643 18018 8181 1 16 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.092 0.271 18018 8182 1 16 . 1 1 74 74 ALA C C 74 179.752 179.752 180.109 -0.357 18018 8183 1 16 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.500 -0.976 18018 8184 1 16 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.604 -0.960 18018 8185 1 16 . 1 1 74 74 ALA H H 74 7.379 7.379 7.581 -0.202 18018 8186 1 16 . 1 1 75 75 ASP N N 75 120.226 120.226 119.644 0.582 18018 8187 1 16 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.518 -0.023 18018 8188 1 16 . 1 1 75 75 ASP C C 75 177.704 177.704 177.568 0.136 18018 8189 1 16 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.442 -0.455 18018 8190 1 16 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.009 -2.065 18018 8191 1 16 . 1 1 75 75 ASP H H 75 8.474 8.474 7.696 0.778 18018 8192 1 16 . 1 1 76 76 LEU N N 76 115.468 115.468 117.312 -1.844 18018 8193 1 16 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.308 0.084 18018 8194 1 16 . 1 1 76 76 LEU C C 76 174.790 174.790 176.214 -1.424 18018 8195 1 16 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.053 -0.429 18018 8196 1 16 . 1 1 76 76 LEU CB C 76 40.199 40.199 40.143 0.056 18018 8197 1 16 . 1 1 76 76 LEU H H 76 8.599 8.599 8.093 0.506 18018 8198 1 16 . 1 1 77 77 GLU N N 77 124.833 124.833 121.660 3.173 18018 8199 1 16 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.027 0.313 18018 8200 1 16 . 1 1 77 77 GLU C C 77 176.953 176.953 177.275 -0.322 18018 8201 1 16 . 1 1 77 77 GLU CA C 77 58.311 58.311 58.217 0.094 18018 8202 1 16 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.982 -0.367 18018 8203 1 16 . 1 1 77 77 GLU H H 77 7.115 7.115 7.217 -0.102 18018 8204 1 16 . 1 1 78 78 GLY N N 78 118.193 118.193 113.361 4.832 18018 8205 1 16 . 1 1 78 78 GLY C C 78 173.075 173.075 174.752 -1.677 18018 8206 1 16 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.664 -0.560 18018 8207 1 16 . 1 1 78 78 GLY H H 78 9.371 9.371 8.376 0.995 18018 8208 1 16 . 1 1 79 79 LYS N N 79 120.237 120.237 119.440 0.797 18018 8209 1 16 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.429 0.202 18018 8210 1 16 . 1 1 79 79 LYS C C 79 175.050 175.050 175.601 -0.551 18018 8211 1 16 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.347 -1.122 18018 8212 1 16 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.726 -0.664 18018 8213 1 16 . 1 1 79 79 LYS H H 79 8.799 8.799 8.297 0.502 18018 8214 1 16 . 1 1 80 80 ALA N N 80 121.135 121.135 123.507 -2.372 18018 8215 1 16 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.622 0.242 18018 8216 1 16 . 1 1 80 80 ALA C C 80 174.051 174.051 174.951 -0.900 18018 8217 1 16 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.612 -0.741 18018 8218 1 16 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.302 -0.175 18018 8219 1 16 . 1 1 80 80 ALA H H 80 8.126 8.126 8.044 0.082 18018 8220 1 16 . 1 1 81 81 ASP N N 81 121.569 121.569 125.385 -3.816 18018 8221 1 16 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.742 0.126 18018 8222 1 16 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.933 -2.964 18018 8223 1 16 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.411 -1.125 18018 8224 1 16 . 1 1 81 81 ASP H H 81 8.283 8.283 8.771 -0.488 18018 8225 1 16 . 1 1 82 82 GLU N N 82 120.044 120.044 121.440 -1.396 18018 8226 1 16 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.300 -0.134 18018 8227 1 16 . 1 1 82 82 GLU C C 82 177.350 177.350 178.606 -1.256 18018 8228 1 16 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.865 -0.647 18018 8229 1 16 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.878 -1.253 18018 8230 1 16 . 1 1 82 82 GLU H H 82 8.891 8.891 8.851 0.040 18018 8231 1 16 . 1 1 83 83 GLU N N 83 119.348 119.348 117.163 2.185 18018 8232 1 16 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.162 -0.015 18018 8233 1 16 . 1 1 83 83 GLU C C 83 178.794 178.794 177.593 1.201 18018 8234 1 16 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.786 0.296 18018 8235 1 16 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.508 -1.133 18018 8236 1 16 . 1 1 83 83 GLU H H 83 8.827 8.827 8.903 -0.076 18018 8237 1 16 . 1 1 84 84 THR N N 84 119.678 119.678 114.765 4.913 18018 8238 1 16 . 1 1 84 84 THR HA H 84 4.131 4.131 4.335 -0.204 18018 8239 1 16 . 1 1 84 84 THR C C 84 176.165 176.165 176.033 0.132 18018 8240 1 16 . 1 1 84 84 THR CA C 84 66.422 66.422 65.219 1.203 18018 8241 1 16 . 1 1 84 84 THR CB C 84 65.645 65.645 69.946 -4.301 18018 8242 1 16 . 1 1 84 84 THR H H 84 8.552 8.552 7.855 0.697 18018 8243 1 16 . 1 1 85 85 ILE N N 85 123.677 123.677 123.451 0.226 18018 8244 1 16 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.471 0.348 18018 8245 1 16 . 1 1 85 85 ILE C C 85 174.809 174.809 177.771 -2.962 18018 8246 1 16 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.377 -0.794 18018 8247 1 16 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.809 0.681 18018 8248 1 16 . 1 1 85 85 ILE H H 85 8.571 8.571 8.715 -0.144 18018 8249 1 16 . 1 1 86 86 ARG N N 86 119.556 119.556 118.463 1.093 18018 8250 1 16 . 1 1 86 86 ARG HA H 86 4.171 4.171 3.934 0.237 18018 8251 1 16 . 1 1 86 86 ARG CA C 86 59.619 59.619 60.043 -0.424 18018 8252 1 16 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.958 -1.100 18018 8253 1 16 . 1 1 86 86 ARG H H 86 9.093 9.093 8.368 0.725 18018 8254 1 16 . 1 1 87 87 ALA N N 87 121.431 121.431 122.869 -1.438 18018 8255 1 16 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.053 0.235 18018 8256 1 16 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.125 -0.970 18018 8257 1 16 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.960 -0.888 18018 8258 1 16 . 1 1 87 87 ALA H H 87 8.206 8.206 7.421 0.785 18018 8259 1 16 . 1 1 88 88 LYS N N 88 122.850 122.850 118.211 4.639 18018 8260 1 16 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.742 0.240 18018 8261 1 16 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.484 -2.611 18018 8262 1 16 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.458 -1.635 18018 8263 1 16 . 1 1 88 88 LYS H H 88 8.145 8.145 8.148 -0.003 18018 8264 1 16 . 1 1 89 89 MET N N 89 118.786 118.786 119.197 -0.411 18018 8265 1 16 . 1 1 89 89 MET HA H 89 3.810 3.810 4.002 -0.192 18018 8266 1 16 . 1 1 89 89 MET CA C 89 60.096 60.096 59.039 1.056 18018 8267 1 16 . 1 1 89 89 MET CB C 89 32.329 32.329 32.801 -0.472 18018 8268 1 16 . 1 1 89 89 MET H H 89 8.468 8.468 7.933 0.535 18018 8269 1 16 . 1 1 90 90 VAL N N 90 120.770 120.770 119.806 0.964 18018 8270 1 16 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.544 0.283 18018 8271 1 16 . 1 1 90 90 VAL C C 90 178.017 178.017 177.432 0.585 18018 8272 1 16 . 1 1 90 90 VAL CA C 90 65.625 65.625 67.379 -1.754 18018 8273 1 16 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.526 0.212 18018 8274 1 16 . 1 1 90 90 VAL H H 90 7.504 7.504 8.338 -0.834 18018 8275 1 16 . 1 1 91 91 GLU N N 91 124.409 124.409 117.566 6.843 18018 8276 1 16 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.200 -0.412 18018 8277 1 16 . 1 1 91 91 GLU C C 91 177.612 177.612 176.417 1.195 18018 8278 1 16 . 1 1 91 91 GLU CA C 91 58.414 58.414 57.278 1.136 18018 8279 1 16 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.160 2.284 18018 8280 1 16 . 1 1 91 91 GLU H H 91 8.486 8.486 8.160 0.326 18018 8281 1 16 . 1 1 92 92 LEU N N 92 114.680 114.680 117.493 -2.813 18018 8282 1 16 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.508 -0.118 18018 8283 1 16 . 1 1 92 92 LEU C C 92 177.928 177.928 178.369 -0.441 18018 8284 1 16 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.716 -0.082 18018 8285 1 16 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.905 -2.564 18018 8286 1 16 . 1 1 92 92 LEU H H 92 8.823 8.823 7.271 1.552 18018 8287 1 16 . 1 1 93 93 ARG N N 93 123.603 123.603 120.915 2.688 18018 8288 1 16 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.026 -0.083 18018 8289 1 16 . 1 1 93 93 ARG C C 93 176.350 176.350 178.708 -2.358 18018 8290 1 16 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.279 1.302 18018 8291 1 16 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.345 -0.442 18018 8292 1 16 . 1 1 93 93 ARG H H 93 7.690 7.690 8.679 -0.989 18018 8293 1 16 . 1 1 94 94 ALA N N 94 122.480 122.480 118.496 3.984 18018 8294 1 16 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.479 -0.218 18018 8295 1 16 . 1 1 94 94 ALA C C 94 179.805 179.805 178.322 1.483 18018 8296 1 16 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.297 0.232 18018 8297 1 16 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.515 -1.579 18018 8298 1 16 . 1 1 94 94 ALA H H 94 7.269 7.269 8.186 -0.917 18018 8299 1 16 . 1 1 95 95 THR N N 95 116.936 116.936 113.902 3.034 18018 8300 1 16 . 1 1 95 95 THR HA H 95 4.045 4.045 4.412 -0.367 18018 8301 1 16 . 1 1 95 95 THR C C 95 175.007 175.007 175.415 -0.408 18018 8302 1 16 . 1 1 95 95 THR CA C 95 65.569 65.569 63.807 1.762 18018 8303 1 16 . 1 1 95 95 THR CB C 95 68.334 68.334 70.202 -1.868 18018 8304 1 16 . 1 1 95 95 THR H H 95 8.282 8.282 7.281 1.001 18018 8305 1 16 . 1 1 96 96 ALA N N 96 124.095 124.095 124.197 -0.102 18018 8306 1 16 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.001 -0.139 18018 8307 1 16 . 1 1 96 96 ALA C C 96 178.184 178.184 178.741 -0.557 18018 8308 1 16 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.536 0.213 18018 8309 1 16 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.332 0.438 18018 8310 1 16 . 1 1 96 96 ALA H H 96 8.681 8.681 8.036 0.645 18018 8311 1 16 . 1 1 97 97 ARG N N 97 117.328 117.328 118.585 -1.257 18018 8312 1 16 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.021 -0.235 18018 8313 1 16 . 1 1 97 97 ARG C C 97 176.770 176.770 178.978 -2.208 18018 8314 1 16 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.534 0.027 18018 8315 1 16 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.891 -0.275 18018 8316 1 16 . 1 1 97 97 ARG H H 97 8.070 8.070 8.315 -0.245 18018 8317 1 16 . 1 1 98 98 GLU N N 98 118.245 118.245 120.620 -2.375 18018 8318 1 16 . 1 1 98 98 GLU HA H 98 4.115 4.115 3.975 0.140 18018 8319 1 16 . 1 1 98 98 GLU C C 98 178.865 178.865 179.044 -0.179 18018 8320 1 16 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.582 -1.093 18018 8321 1 16 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.132 -0.620 18018 8322 1 16 . 1 1 98 98 GLU H H 98 7.855 7.855 8.094 -0.239 18018 8323 1 16 . 1 1 99 99 GLN N N 99 119.735 119.735 117.893 1.842 18018 8324 1 16 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.923 0.248 18018 8325 1 16 . 1 1 99 99 GLN C C 99 178.146 178.146 178.105 0.041 18018 8326 1 16 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.742 -0.497 18018 8327 1 16 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.587 -1.493 18018 8328 1 16 . 1 1 99 99 GLN H H 99 8.312 8.312 8.117 0.195 18018 8329 1 16 . 1 1 100 100 ILE N N 100 119.864 119.864 120.001 -0.137 18018 8330 1 16 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.651 0.299 18018 8331 1 16 . 1 1 100 100 ILE C C 100 178.315 178.315 178.279 0.036 18018 8332 1 16 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.612 -3.008 18018 8333 1 16 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.989 -1.492 18018 8334 1 16 . 1 1 100 100 ILE H H 100 8.445 8.445 7.553 0.892 18018 8335 1 16 . 1 1 101 101 ILE N N 101 120.514 120.514 117.377 3.137 18018 8336 1 16 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.934 0.078 18018 8337 1 16 . 1 1 101 101 ILE C C 101 177.006 177.006 178.211 -1.205 18018 8338 1 16 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.396 0.581 18018 8339 1 16 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.161 -0.500 18018 8340 1 16 . 1 1 101 101 ILE H H 101 8.329 8.329 7.611 0.718 18018 8341 1 16 . 1 1 102 102 SER N N 102 116.172 116.172 116.397 -0.225 18018 8342 1 16 . 1 1 102 102 SER HA H 102 4.562 4.562 4.170 0.392 18018 8343 1 16 . 1 1 102 102 SER C C 102 173.845 173.845 176.321 -2.476 18018 8344 1 16 . 1 1 102 102 SER CA C 102 59.502 59.502 61.266 -1.764 18018 8345 1 16 . 1 1 102 102 SER CB C 102 63.012 63.012 63.470 -0.458 18018 8346 1 16 . 1 1 102 102 SER H H 102 7.882 7.882 7.841 0.041 18018 8347 1 16 . 1 1 103 103 GLU N N 103 122.642 122.642 120.370 2.272 18018 8348 1 16 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.238 0.202 18018 8349 1 16 . 1 1 103 103 GLU C C 103 175.095 175.095 177.426 -2.331 18018 8350 1 16 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.952 -1.324 18018 8351 1 16 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.106 -0.293 18018 8352 1 16 . 1 1 103 103 GLU H H 103 7.735 7.735 7.896 -0.161 18018 8353 1 17 . 1 1 4 4 PHE N N 4 122.548 122.548 119.696 2.852 18018 8354 1 17 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.374 0.309 18018 8355 1 17 . 1 1 4 4 PHE CA C 4 57.607 57.607 59.008 -1.401 18018 8356 1 17 . 1 1 4 4 PHE CB C 4 38.895 38.895 36.767 2.128 18018 8357 1 17 . 1 1 4 4 PHE H H 4 8.328 8.328 9.020 -0.692 18018 8358 1 17 . 1 1 7 7 ARG N N 7 121.962 121.962 118.778 3.184 18018 8359 1 17 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.328 -0.072 18018 8360 1 17 . 1 1 7 7 ARG C C 7 176.683 176.683 177.959 -1.276 18018 8361 1 17 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.300 -0.213 18018 8362 1 17 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.614 -1.252 18018 8363 1 17 . 1 1 7 7 ARG H H 7 8.321 8.321 8.654 -0.333 18018 8364 1 17 . 1 1 8 8 GLU N N 8 121.095 121.095 120.555 0.540 18018 8365 1 17 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.130 0.121 18018 8366 1 17 . 1 1 8 8 GLU C C 8 176.964 176.964 176.997 -0.033 18018 8367 1 17 . 1 1 8 8 GLU CA C 8 56.933 56.933 58.319 -1.386 18018 8368 1 17 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.741 -0.886 18018 8369 1 17 . 1 1 8 8 GLU H H 8 8.388 8.388 8.370 0.018 18018 8370 1 17 . 1 1 9 9 ARG N N 9 121.310 121.310 118.466 2.844 18018 8371 1 17 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.529 -0.189 18018 8372 1 17 . 1 1 9 9 ARG C C 9 176.563 176.563 174.211 2.352 18018 8373 1 17 . 1 1 9 9 ARG CA C 9 56.413 56.413 55.081 1.332 18018 8374 1 17 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.666 1.003 18018 8375 1 17 . 1 1 9 9 ARG H H 9 8.268 8.268 8.083 0.185 18018 8376 1 17 . 1 1 10 10 ALA N N 10 124.224 124.224 121.285 2.939 18018 8377 1 17 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.415 -0.097 18018 8378 1 17 . 1 1 10 10 ALA C C 10 178.129 178.129 175.712 2.417 18018 8379 1 17 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.576 0.371 18018 8380 1 17 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.963 -2.207 18018 8381 1 17 . 1 1 10 10 ALA H H 10 8.222 8.222 7.759 0.463 18018 8382 1 17 . 1 1 11 11 HIS N N 11 118.081 118.081 118.220 -0.139 18018 8383 1 17 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.801 -0.102 18018 8384 1 17 . 1 1 11 11 HIS C C 11 175.013 175.013 176.622 -1.609 18018 8385 1 17 . 1 1 11 11 HIS CA C 11 56.255 56.255 55.798 0.457 18018 8386 1 17 . 1 1 11 11 HIS CB C 11 28.767 28.767 29.882 -1.115 18018 8387 1 17 . 1 1 11 11 HIS H H 11 8.486 8.486 8.459 0.027 18018 8388 1 17 . 1 1 12 12 GLU N N 12 121.492 121.492 118.371 3.121 18018 8389 1 17 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.057 0.221 18018 8390 1 17 . 1 1 12 12 GLU C C 12 176.808 176.808 175.428 1.380 18018 8391 1 17 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.558 -0.937 18018 8392 1 17 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.047 -0.194 18018 8393 1 17 . 1 1 12 12 GLU H H 12 8.370 8.370 9.200 -0.831 18018 8394 1 17 . 1 1 13 13 ALA N N 13 123.583 123.583 119.207 4.376 18018 8395 1 17 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.468 -0.164 18018 8396 1 17 . 1 1 13 13 ALA C C 13 178.197 178.197 177.603 0.594 18018 8397 1 17 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.709 0.342 18018 8398 1 17 . 1 1 13 13 ALA CB C 13 17.788 17.788 20.259 -2.471 18018 8399 1 17 . 1 1 13 13 ALA H H 13 8.426 8.426 8.250 0.176 18018 8400 1 17 . 1 1 14 14 LYS N N 14 119.772 119.772 121.102 -1.330 18018 8401 1 17 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.716 0.502 18018 8402 1 17 . 1 1 14 14 LYS C C 14 176.757 176.757 178.065 -1.308 18018 8403 1 17 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.762 -2.652 18018 8404 1 17 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.025 -0.282 18018 8405 1 17 . 1 1 14 14 LYS H H 14 8.073 8.073 7.737 0.336 18018 8406 1 17 . 1 1 15 15 PHE N N 15 118.073 118.073 116.176 1.897 18018 8407 1 17 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.486 -0.042 18018 8408 1 17 . 1 1 15 15 PHE C C 15 175.635 175.635 177.555 -1.920 18018 8409 1 17 . 1 1 15 15 PHE CA C 15 59.001 59.001 59.880 -0.879 18018 8410 1 17 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.710 -0.219 18018 8411 1 17 . 1 1 15 15 PHE H H 15 7.926 7.926 8.116 -0.190 18018 8412 1 17 . 1 1 16 16 ALA N N 16 122.453 122.453 120.152 2.301 18018 8413 1 17 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.075 0.231 18018 8414 1 17 . 1 1 16 16 ALA C C 16 177.641 177.641 178.782 -1.141 18018 8415 1 17 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.194 -1.142 18018 8416 1 17 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.475 -0.454 18018 8417 1 17 . 1 1 16 16 ALA H H 16 8.137 8.137 7.762 0.375 18018 8418 1 17 . 1 1 17 17 HIS N N 17 115.587 115.587 116.359 -0.772 18018 8419 1 17 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.497 0.328 18018 8420 1 17 . 1 1 17 17 HIS CA C 17 55.095 55.095 57.556 -2.461 18018 8421 1 17 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.790 -1.832 18018 8422 1 17 . 1 1 17 17 HIS H H 17 8.051 8.051 8.254 -0.203 18018 8423 1 17 . 1 1 18 18 ASP N N 18 121.432 121.432 114.000 7.432 18018 8424 1 17 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.736 0.054 18018 8425 1 17 . 1 1 18 18 ASP CA C 18 53.582 53.582 54.411 -0.829 18018 8426 1 17 . 1 1 18 18 ASP CB C 18 40.787 40.787 42.118 -1.331 18018 8427 1 17 . 1 1 18 18 ASP H H 18 7.913 7.913 7.804 0.109 18018 8428 1 17 . 1 1 19 19 ALA N N 19 126.983 126.983 121.944 5.039 18018 8429 1 17 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.923 0.373 18018 8430 1 17 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.911 -0.864 18018 8431 1 17 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.627 0.232 18018 8432 1 17 . 1 1 19 19 ALA H H 19 8.599 8.599 8.575 0.024 18018 8433 1 17 . 1 1 20 20 GLU N N 20 119.997 119.997 119.723 0.274 18018 8434 1 17 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.138 0.191 18018 8435 1 17 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.608 -0.230 18018 8436 1 17 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.623 -0.746 18018 8437 1 17 . 1 1 20 20 GLU H H 20 8.377 8.377 7.983 0.394 18018 8438 1 17 . 1 1 21 21 LEU N N 21 122.484 122.484 120.389 2.095 18018 8439 1 17 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.374 -0.211 18018 8440 1 17 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.679 -1.554 18018 8441 1 17 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.508 -0.478 18018 8442 1 17 . 1 1 21 21 LEU H H 21 8.117 8.117 7.985 0.132 18018 8443 1 17 . 1 1 22 22 ASN N N 22 117.879 117.879 115.792 2.087 18018 8444 1 17 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.545 0.147 18018 8445 1 17 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.034 0.304 18018 8446 1 17 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.632 2.506 18018 8447 1 17 . 1 1 22 22 ASN H H 22 8.507 8.507 8.597 -0.090 18018 8448 1 17 . 1 1 23 23 PHE N N 23 121.096 121.096 120.882 0.214 18018 8449 1 17 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.383 0.080 18018 8450 1 17 . 1 1 23 23 PHE CA C 23 60.239 60.239 60.775 -0.536 18018 8451 1 17 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.111 -1.079 18018 8452 1 17 . 1 1 23 23 PHE H H 23 8.465 8.465 7.645 0.820 18018 8453 1 17 . 1 1 24 24 LYS N N 24 120.580 120.580 119.678 0.902 18018 8454 1 17 . 1 1 24 24 LYS HA H 24 4.171 4.171 3.900 0.272 18018 8455 1 17 . 1 1 24 24 LYS C C 24 179.309 179.309 179.133 0.176 18018 8456 1 17 . 1 1 24 24 LYS CA C 24 59.041 59.041 60.009 -0.968 18018 8457 1 17 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.337 0.050 18018 8458 1 17 . 1 1 24 24 LYS H H 24 8.427 8.427 8.057 0.370 18018 8459 1 17 . 1 1 25 25 ALA N N 25 123.682 123.682 120.224 3.458 18018 8460 1 17 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.067 0.054 18018 8461 1 17 . 1 1 25 25 ALA C C 25 178.243 178.243 179.626 -1.383 18018 8462 1 17 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.492 -1.027 18018 8463 1 17 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.359 -0.660 18018 8464 1 17 . 1 1 25 25 ALA H H 25 8.768 8.768 8.606 0.162 18018 8465 1 17 . 1 1 26 26 GLU N N 26 122.051 122.051 119.155 2.896 18018 8466 1 17 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.993 0.028 18018 8467 1 17 . 1 1 26 26 GLU C C 26 177.265 177.265 178.849 -1.584 18018 8468 1 17 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.402 -0.941 18018 8469 1 17 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.064 -0.302 18018 8470 1 17 . 1 1 26 26 GLU H H 26 8.532 8.532 8.164 0.368 18018 8471 1 17 . 1 1 27 27 ALA N N 27 122.124 122.124 121.306 0.818 18018 8472 1 17 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.116 0.209 18018 8473 1 17 . 1 1 27 27 ALA C C 27 180.552 180.552 180.041 0.511 18018 8474 1 17 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.812 -0.643 18018 8475 1 17 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.560 -1.451 18018 8476 1 17 . 1 1 27 27 ALA H H 27 8.048 8.048 8.087 -0.039 18018 8477 1 17 . 1 1 28 28 ARG N N 28 120.501 120.501 118.819 1.682 18018 8478 1 17 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.176 0.236 18018 8479 1 17 . 1 1 28 28 ARG C C 28 176.309 176.309 178.626 -2.317 18018 8480 1 17 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.208 -2.239 18018 8481 1 17 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.111 -3.196 18018 8482 1 17 . 1 1 28 28 ARG H H 28 8.046 8.046 7.843 0.203 18018 8483 1 17 . 1 1 29 29 ARG N N 29 122.842 122.842 119.310 3.532 18018 8484 1 17 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.990 -0.292 18018 8485 1 17 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.644 -0.228 18018 8486 1 17 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.586 -1.438 18018 8487 1 17 . 1 1 29 29 ARG H H 29 8.908 8.908 8.602 0.306 18018 8488 1 17 . 1 1 30 30 ASN N N 30 120.150 120.150 117.521 2.629 18018 8489 1 17 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.505 0.129 18018 8490 1 17 . 1 1 30 30 ASN C C 30 175.888 175.888 177.297 -1.409 18018 8491 1 17 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.135 -0.728 18018 8492 1 17 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.986 -2.051 18018 8493 1 17 . 1 1 30 30 ASN H H 30 8.402 8.402 7.862 0.540 18018 8494 1 17 . 1 1 31 31 ARG N N 31 123.400 123.400 120.188 3.212 18018 8495 1 17 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.118 0.164 18018 8496 1 17 . 1 1 31 31 ARG C C 31 177.804 177.804 178.219 -0.415 18018 8497 1 17 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.324 -0.374 18018 8498 1 17 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.787 -0.666 18018 8499 1 17 . 1 1 31 31 ARG H H 31 7.996 7.996 7.442 0.554 18018 8500 1 17 . 1 1 32 32 LEU N N 32 119.872 119.872 119.437 0.435 18018 8501 1 17 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.086 0.205 18018 8502 1 17 . 1 1 32 32 LEU C C 32 180.602 180.602 179.510 1.092 18018 8503 1 17 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.555 -0.309 18018 8504 1 17 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.575 -0.405 18018 8505 1 17 . 1 1 32 32 LEU H H 32 8.742 8.742 7.571 1.171 18018 8506 1 17 . 1 1 33 33 LEU N N 33 124.468 124.468 119.887 4.581 18018 8507 1 17 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.175 0.126 18018 8508 1 17 . 1 1 33 33 LEU C C 33 177.992 177.992 179.225 -1.233 18018 8509 1 17 . 1 1 33 33 LEU CA C 33 57.015 57.015 58.282 -1.267 18018 8510 1 17 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.819 0.420 18018 8511 1 17 . 1 1 33 33 LEU H H 33 9.249 9.249 8.042 1.207 18018 8512 1 17 . 1 1 34 34 GLY N N 34 109.045 109.045 106.784 2.261 18018 8513 1 17 . 1 1 34 34 GLY C C 34 174.530 174.530 176.204 -1.674 18018 8514 1 17 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.381 0.066 18018 8515 1 17 . 1 1 34 34 GLY H H 34 8.873 8.873 8.610 0.263 18018 8516 1 17 . 1 1 35 35 GLU N N 35 123.414 123.414 122.316 1.098 18018 8517 1 17 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.133 0.044 18018 8518 1 17 . 1 1 35 35 GLU C C 35 178.866 178.866 178.890 -0.024 18018 8519 1 17 . 1 1 35 35 GLU CA C 35 59.031 59.031 59.786 -0.755 18018 8520 1 17 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.532 -0.569 18018 8521 1 17 . 1 1 35 35 GLU H H 35 8.920 8.920 8.449 0.471 18018 8522 1 17 . 1 1 36 36 TRP N N 36 124.774 124.774 122.065 2.709 18018 8523 1 17 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.272 0.311 18018 8524 1 17 . 1 1 36 36 TRP C C 36 177.618 177.618 178.527 -0.909 18018 8525 1 17 . 1 1 36 36 TRP CA C 36 59.618 59.618 61.003 -1.385 18018 8526 1 17 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.198 -2.604 18018 8527 1 17 . 1 1 36 36 TRP H H 36 8.510 8.510 7.872 0.638 18018 8528 1 17 . 1 1 37 37 ALA N N 37 123.777 123.777 120.477 3.300 18018 8529 1 17 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.051 0.326 18018 8530 1 17 . 1 1 37 37 ALA C C 37 177.427 177.427 178.854 -1.427 18018 8531 1 17 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.033 -0.185 18018 8532 1 17 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.589 1.457 18018 8533 1 17 . 1 1 37 37 ALA H H 37 9.122 9.122 7.778 1.344 18018 8534 1 17 . 1 1 38 38 ALA N N 38 119.259 119.259 120.528 -1.269 18018 8535 1 17 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.432 0.062 18018 8536 1 17 . 1 1 38 38 ALA C C 38 178.670 178.670 178.840 -0.170 18018 8537 1 17 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.769 -0.326 18018 8538 1 17 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.183 -0.494 18018 8539 1 17 . 1 1 38 38 ALA H H 38 8.772 8.772 8.352 0.420 18018 8540 1 17 . 1 1 39 39 GLY N N 39 104.027 104.027 103.688 0.339 18018 8541 1 17 . 1 1 39 39 GLY C C 39 177.232 177.232 174.986 2.246 18018 8542 1 17 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.565 0.857 18018 8543 1 17 . 1 1 39 39 GLY H H 39 7.733 7.733 7.713 0.020 18018 8544 1 17 . 1 1 40 40 LEU N N 40 125.448 125.448 119.123 6.325 18018 8545 1 17 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.273 -0.188 18018 8546 1 17 . 1 1 40 40 LEU C C 40 178.203 178.203 177.432 0.771 18018 8547 1 17 . 1 1 40 40 LEU CA C 40 56.718 56.718 54.447 2.271 18018 8548 1 17 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.953 -1.614 18018 8549 1 17 . 1 1 40 40 LEU H H 40 7.492 7.492 7.134 0.358 18018 8550 1 17 . 1 1 41 41 LEU N N 41 117.234 117.234 116.679 0.555 18018 8551 1 17 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.059 0.048 18018 8552 1 17 . 1 1 41 41 LEU C C 41 176.119 176.119 177.636 -1.517 18018 8553 1 17 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.639 -1.756 18018 8554 1 17 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.880 -0.227 18018 8555 1 17 . 1 1 41 41 LEU H H 41 7.676 7.676 7.656 0.020 18018 8556 1 17 . 1 1 42 42 GLY N N 42 109.595 109.595 106.079 3.516 18018 8557 1 17 . 1 1 42 42 GLY C C 42 173.775 173.775 174.964 -1.189 18018 8558 1 17 . 1 1 42 42 GLY CA C 42 45.248 45.248 45.340 -0.092 18018 8559 1 17 . 1 1 42 42 GLY H H 42 7.869 7.869 7.410 0.459 18018 8560 1 17 . 1 1 43 43 LYS N N 43 119.965 119.965 120.507 -0.542 18018 8561 1 17 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.314 0.398 18018 8562 1 17 . 1 1 43 43 LYS C C 43 175.246 175.246 176.614 -1.368 18018 8563 1 17 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.169 -0.399 18018 8564 1 17 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.588 0.183 18018 8565 1 17 . 1 1 43 43 LYS H H 43 8.079 8.079 8.101 -0.022 18018 8566 1 17 . 1 1 44 44 THR N N 44 114.199 114.199 108.223 5.976 18018 8567 1 17 . 1 1 44 44 THR HA H 44 4.749 4.749 4.496 0.253 18018 8568 1 17 . 1 1 44 44 THR C C 44 174.392 174.392 175.495 -1.103 18018 8569 1 17 . 1 1 44 44 THR CA C 44 58.992 58.992 60.942 -1.950 18018 8570 1 17 . 1 1 44 44 THR CB C 44 71.762 71.762 71.077 0.685 18018 8571 1 17 . 1 1 44 44 THR H H 44 8.934 8.934 7.770 1.164 18018 8572 1 17 . 1 1 45 45 GLY N N 45 109.657 109.657 106.200 3.457 18018 8573 1 17 . 1 1 45 45 GLY C C 45 175.330 175.330 175.242 0.088 18018 8574 1 17 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.896 -0.751 18018 8575 1 17 . 1 1 45 45 GLY H H 45 8.862 8.862 8.627 0.235 18018 8576 1 17 . 1 1 46 46 ASP N N 46 128.403 128.403 119.523 8.880 18018 8577 1 17 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.743 -0.210 18018 8578 1 17 . 1 1 46 46 ASP C C 46 177.343 177.343 177.558 -0.215 18018 8579 1 17 . 1 1 46 46 ASP CA C 46 56.485 56.485 56.640 -0.155 18018 8580 1 17 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.531 -1.653 18018 8581 1 17 . 1 1 46 46 ASP H H 46 9.283 9.283 8.040 1.243 18018 8582 1 17 . 1 1 47 47 ASP N N 47 121.367 121.367 121.382 -0.015 18018 8583 1 17 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.523 0.113 18018 8584 1 17 . 1 1 47 47 ASP CA C 47 56.140 56.140 56.954 -0.814 18018 8585 1 17 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.715 -0.739 18018 8586 1 17 . 1 1 47 47 ASP H H 47 8.488 8.488 7.981 0.507 18018 8587 1 17 . 1 1 48 48 ALA N N 48 123.210 123.210 121.352 1.858 18018 8588 1 17 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.085 -0.168 18018 8589 1 17 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.961 -0.914 18018 8590 1 17 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.670 -2.028 18018 8591 1 17 . 1 1 48 48 ALA H H 48 7.235 7.235 8.651 -1.416 18018 8592 1 17 . 1 1 49 49 ARG N N 49 120.088 120.088 119.247 0.841 18018 8593 1 17 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.017 0.091 18018 8594 1 17 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.131 -0.431 18018 8595 1 17 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.387 -0.822 18018 8596 1 17 . 1 1 49 49 ARG H H 49 7.777 7.777 7.598 0.179 18018 8597 1 17 . 1 1 50 50 ALA N N 50 120.988 120.988 121.614 -0.626 18018 8598 1 17 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.075 0.116 18018 8599 1 17 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.961 -0.878 18018 8600 1 17 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.383 -1.104 18018 8601 1 17 . 1 1 50 50 ALA H H 50 8.350 8.350 7.868 0.482 18018 8602 1 17 . 1 1 51 51 TYR N N 51 119.264 119.264 120.283 -1.019 18018 8603 1 17 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.109 0.092 18018 8604 1 17 . 1 1 51 51 TYR C C 51 178.335 178.335 176.583 1.752 18018 8605 1 17 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.427 -0.340 18018 8606 1 17 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.646 -0.806 18018 8607 1 17 . 1 1 51 51 TYR H H 51 8.054 8.054 7.964 0.090 18018 8608 1 17 . 1 1 52 52 ALA N N 52 124.002 124.002 117.733 6.269 18018 8609 1 17 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.292 -0.425 18018 8610 1 17 . 1 1 52 52 ALA C C 52 178.352 178.352 176.266 2.086 18018 8611 1 17 . 1 1 52 52 ALA CA C 52 55.070 55.070 52.549 2.521 18018 8612 1 17 . 1 1 52 52 ALA CB C 52 16.835 16.835 19.089 -2.254 18018 8613 1 17 . 1 1 52 52 ALA H H 52 8.611 8.611 7.810 0.801 18018 8614 1 17 . 1 1 53 53 LEU N N 53 116.323 116.323 116.722 -0.399 18018 8615 1 17 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.571 -0.287 18018 8616 1 17 . 1 1 53 53 LEU C C 53 177.452 177.452 175.952 1.500 18018 8617 1 17 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.779 1.083 18018 8618 1 17 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.463 -0.188 18018 8619 1 17 . 1 1 53 53 LEU H H 53 7.591 7.591 7.363 0.228 18018 8620 1 17 . 1 1 54 54 THR N N 54 110.782 110.782 115.020 -4.238 18018 8621 1 17 . 1 1 54 54 THR HA H 54 4.392 4.392 4.472 -0.080 18018 8622 1 17 . 1 1 54 54 THR CA C 54 62.390 62.390 62.557 -0.167 18018 8623 1 17 . 1 1 54 54 THR H H 54 7.947 7.947 8.198 -0.251 18018 8624 1 17 . 1 1 55 55 VAL N N 55 123.763 123.763 119.976 3.787 18018 8625 1 17 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.097 -0.215 18018 8626 1 17 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.006 -0.262 18018 8627 1 17 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.955 -2.084 18018 8628 1 17 . 1 1 55 55 VAL H H 55 7.171 7.171 7.794 -0.623 18018 8629 1 17 . 1 1 56 56 VAL N N 56 118.917 118.917 119.155 -0.238 18018 8630 1 17 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.245 0.145 18018 8631 1 17 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.092 -1.312 18018 8632 1 17 . 1 1 56 56 VAL CB C 56 33.490 33.490 29.585 3.905 18018 8633 1 17 . 1 1 56 56 VAL H H 56 7.409 7.409 7.637 -0.228 18018 8634 1 17 . 1 1 57 57 THR N N 57 115.599 115.599 118.459 -2.860 18018 8635 1 17 . 1 1 57 57 THR HA H 57 4.532 4.532 4.395 0.137 18018 8636 1 17 . 1 1 57 57 THR CA C 57 60.614 60.614 61.820 -1.206 18018 8637 1 17 . 1 1 57 57 THR CB C 57 68.892 68.892 69.659 -0.767 18018 8638 1 17 . 1 1 57 57 THR H H 57 7.916 7.916 8.343 -0.427 18018 8639 1 17 . 1 1 58 58 SER N N 58 120.007 120.007 116.368 3.639 18018 8640 1 17 . 1 1 58 58 SER HA H 58 4.547 4.547 4.110 0.437 18018 8641 1 17 . 1 1 58 58 SER CA C 58 57.770 57.770 59.382 -1.611 18018 8642 1 17 . 1 1 58 58 SER CB C 58 63.162 63.162 62.875 0.287 18018 8643 1 17 . 1 1 58 58 SER H H 58 8.580 8.580 8.203 0.377 18018 8644 1 17 . 1 1 59 59 ASP N N 59 122.731 122.731 119.645 3.086 18018 8645 1 17 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.695 -0.005 18018 8646 1 17 . 1 1 59 59 ASP CA C 59 53.456 53.456 53.016 0.440 18018 8647 1 17 . 1 1 59 59 ASP CB C 59 40.748 40.748 42.581 -1.833 18018 8648 1 17 . 1 1 59 59 ASP H H 59 8.399 8.399 8.131 0.268 18018 8649 1 17 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.614 -0.446 18018 8650 1 17 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.444 1.610 18018 8651 1 17 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.220 -3.407 18018 8652 1 17 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.438 0.158 18018 8653 1 17 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.032 -0.084 18018 8654 1 17 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.386 -0.859 18018 8655 1 17 . 1 1 64 64 GLY N N 64 110.688 110.688 107.838 2.850 18018 8656 1 17 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.364 -0.694 18018 8657 1 17 . 1 1 64 64 GLY H H 64 8.725 8.725 7.919 0.806 18018 8658 1 17 . 1 1 65 65 ASP N N 65 122.028 122.028 121.626 0.402 18018 8659 1 17 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.435 0.228 18018 8660 1 17 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.051 -0.286 18018 8661 1 17 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.351 -0.889 18018 8662 1 17 . 1 1 65 65 ASP H H 65 8.649 8.649 8.593 0.056 18018 8663 1 17 . 1 1 67 67 ASP N N 67 120.095 120.095 120.842 -0.747 18018 8664 1 17 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.515 0.066 18018 8665 1 17 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.523 0.030 18018 8666 1 17 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.093 -0.222 18018 8667 1 17 . 1 1 67 67 ASP H H 67 8.181 8.181 8.777 -0.596 18018 8668 1 17 . 1 1 68 68 VAL N N 68 123.206 123.206 119.976 3.230 18018 8669 1 17 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.628 0.189 18018 8670 1 17 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.043 0.672 18018 8671 1 17 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.507 -0.082 18018 8672 1 17 . 1 1 68 68 VAL H H 68 8.014 8.014 7.687 0.327 18018 8673 1 17 . 1 1 69 69 PHE N N 69 120.318 120.318 120.591 -0.273 18018 8674 1 17 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.201 -0.079 18018 8675 1 17 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.748 -0.006 18018 8676 1 17 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.175 -0.934 18018 8677 1 17 . 1 1 69 69 PHE H H 69 8.501 8.501 7.709 0.792 18018 8678 1 17 . 1 1 70 70 ARG N N 70 117.820 117.820 118.268 -0.448 18018 8679 1 17 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.936 -0.224 18018 8680 1 17 . 1 1 70 70 ARG C C 70 178.813 178.813 178.345 0.468 18018 8681 1 17 . 1 1 70 70 ARG CA C 70 58.846 58.846 57.897 0.949 18018 8682 1 17 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.767 0.015 18018 8683 1 17 . 1 1 70 70 ARG H H 70 8.598 8.598 8.079 0.519 18018 8684 1 17 . 1 1 71 71 LYS N N 71 121.726 121.726 119.971 1.755 18018 8685 1 17 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.191 0.032 18018 8686 1 17 . 1 1 71 71 LYS C C 71 177.020 177.020 178.193 -1.173 18018 8687 1 17 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.251 0.239 18018 8688 1 17 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.794 -0.908 18018 8689 1 17 . 1 1 71 71 LYS H H 71 7.658 7.658 7.538 0.120 18018 8690 1 17 . 1 1 72 72 LEU N N 72 119.355 119.355 120.177 -0.822 18018 8691 1 17 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.166 -0.141 18018 8692 1 17 . 1 1 72 72 LEU C C 72 177.378 177.378 178.494 -1.116 18018 8693 1 17 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.728 -0.742 18018 8694 1 17 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.986 -0.140 18018 8695 1 17 . 1 1 72 72 LEU H H 72 8.173 8.173 8.254 -0.081 18018 8696 1 17 . 1 1 73 73 ALA N N 73 121.169 121.169 120.545 0.624 18018 8697 1 17 . 1 1 73 73 ALA HA H 73 3.732 3.732 4.000 -0.268 18018 8698 1 17 . 1 1 73 73 ALA C C 73 179.644 179.644 177.796 1.848 18018 8699 1 17 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.456 -0.632 18018 8700 1 17 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.380 -1.844 18018 8701 1 17 . 1 1 73 73 ALA H H 73 9.151 9.151 7.692 1.459 18018 8702 1 17 . 1 1 74 74 ALA N N 74 119.383 119.383 117.289 2.094 18018 8703 1 17 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.105 0.258 18018 8704 1 17 . 1 1 74 74 ALA C C 74 179.752 179.752 177.628 2.124 18018 8705 1 17 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.031 0.493 18018 8706 1 17 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.746 -1.102 18018 8707 1 17 . 1 1 74 74 ALA H H 74 7.379 7.379 7.899 -0.520 18018 8708 1 17 . 1 1 75 75 ASP N N 75 120.226 120.226 119.276 0.950 18018 8709 1 17 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.779 -0.284 18018 8710 1 17 . 1 1 75 75 ASP C C 75 177.704 177.704 177.437 0.267 18018 8711 1 17 . 1 1 75 75 ASP CA C 75 55.987 55.987 55.621 0.366 18018 8712 1 17 . 1 1 75 75 ASP CB C 75 38.944 38.944 43.301 -4.357 18018 8713 1 17 . 1 1 75 75 ASP H H 75 8.474 8.474 7.733 0.741 18018 8714 1 17 . 1 1 76 76 LEU N N 76 115.468 115.468 119.211 -3.743 18018 8715 1 17 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.379 0.013 18018 8716 1 17 . 1 1 76 76 LEU C C 76 174.790 174.790 176.383 -1.593 18018 8717 1 17 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.745 -0.121 18018 8718 1 17 . 1 1 76 76 LEU CB C 76 40.199 40.199 40.032 0.167 18018 8719 1 17 . 1 1 76 76 LEU H H 76 8.599 8.599 7.913 0.686 18018 8720 1 17 . 1 1 77 77 GLU N N 77 124.833 124.833 121.758 3.075 18018 8721 1 17 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.082 0.258 18018 8722 1 17 . 1 1 77 77 GLU C C 77 176.953 176.953 177.265 -0.312 18018 8723 1 17 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.617 0.694 18018 8724 1 17 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.407 0.207 18018 8725 1 17 . 1 1 77 77 GLU H H 77 7.115 7.115 7.353 -0.238 18018 8726 1 17 . 1 1 78 78 GLY N N 78 118.193 118.193 113.228 4.965 18018 8727 1 17 . 1 1 78 78 GLY C C 78 173.075 173.075 174.823 -1.748 18018 8728 1 17 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.209 -0.104 18018 8729 1 17 . 1 1 78 78 GLY H H 78 9.371 9.371 8.283 1.088 18018 8730 1 17 . 1 1 79 79 LYS N N 79 120.237 120.237 120.409 -0.172 18018 8731 1 17 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.329 0.302 18018 8732 1 17 . 1 1 79 79 LYS C C 79 175.050 175.050 175.844 -0.794 18018 8733 1 17 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.905 -1.680 18018 8734 1 17 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.227 -0.165 18018 8735 1 17 . 1 1 79 79 LYS H H 79 8.799 8.799 8.309 0.490 18018 8736 1 17 . 1 1 80 80 ALA N N 80 121.135 121.135 123.616 -2.481 18018 8737 1 17 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.715 0.149 18018 8738 1 17 . 1 1 80 80 ALA C C 80 174.051 174.051 175.219 -1.168 18018 8739 1 17 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.463 -0.592 18018 8740 1 17 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.992 0.135 18018 8741 1 17 . 1 1 80 80 ALA H H 80 8.126 8.126 7.825 0.301 18018 8742 1 17 . 1 1 81 81 ASP N N 81 121.569 121.569 125.524 -3.955 18018 8743 1 17 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.575 0.293 18018 8744 1 17 . 1 1 81 81 ASP CA C 81 50.969 50.969 54.345 -3.376 18018 8745 1 17 . 1 1 81 81 ASP CB C 81 41.286 41.286 41.937 -0.651 18018 8746 1 17 . 1 1 81 81 ASP H H 81 8.283 8.283 8.521 -0.238 18018 8747 1 17 . 1 1 82 82 GLU N N 82 120.044 120.044 120.896 -0.852 18018 8748 1 17 . 1 1 82 82 GLU HA H 82 4.166 4.166 3.756 0.410 18018 8749 1 17 . 1 1 82 82 GLU C C 82 177.350 177.350 178.820 -1.470 18018 8750 1 17 . 1 1 82 82 GLU CA C 82 60.218 60.218 61.364 -1.146 18018 8751 1 17 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.669 -1.044 18018 8752 1 17 . 1 1 82 82 GLU H H 82 8.891 8.891 8.926 -0.035 18018 8753 1 17 . 1 1 83 83 GLU N N 83 119.348 119.348 116.920 2.428 18018 8754 1 17 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.179 -0.032 18018 8755 1 17 . 1 1 83 83 GLU C C 83 178.794 178.794 178.498 0.296 18018 8756 1 17 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.263 -0.181 18018 8757 1 17 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.209 -0.834 18018 8758 1 17 . 1 1 83 83 GLU H H 83 8.827 8.827 8.745 0.082 18018 8759 1 17 . 1 1 84 84 THR N N 84 119.678 119.678 113.258 6.420 18018 8760 1 17 . 1 1 84 84 THR HA H 84 4.131 4.131 4.262 -0.131 18018 8761 1 17 . 1 1 84 84 THR C C 84 176.165 176.165 176.358 -0.193 18018 8762 1 17 . 1 1 84 84 THR CA C 84 66.422 66.422 64.601 1.821 18018 8763 1 17 . 1 1 84 84 THR CB C 84 65.645 65.645 69.452 -3.807 18018 8764 1 17 . 1 1 84 84 THR H H 84 8.552 8.552 7.734 0.818 18018 8765 1 17 . 1 1 85 85 ILE N N 85 123.677 123.677 123.516 0.161 18018 8766 1 17 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.473 0.346 18018 8767 1 17 . 1 1 85 85 ILE C C 85 174.809 174.809 177.690 -2.881 18018 8768 1 17 . 1 1 85 85 ILE CA C 85 65.583 65.583 65.761 -0.178 18018 8769 1 17 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.713 0.777 18018 8770 1 17 . 1 1 85 85 ILE H H 85 8.571 8.571 8.116 0.455 18018 8771 1 17 . 1 1 86 86 ARG N N 86 119.556 119.556 119.142 0.414 18018 8772 1 17 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.017 0.154 18018 8773 1 17 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.188 0.430 18018 8774 1 17 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.698 -0.840 18018 8775 1 17 . 1 1 86 86 ARG H H 86 9.093 9.093 8.663 0.430 18018 8776 1 17 . 1 1 87 87 ALA N N 87 121.431 121.431 121.715 -0.284 18018 8777 1 17 . 1 1 87 87 ALA HA H 87 4.288 4.288 3.990 0.298 18018 8778 1 17 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.210 -1.055 18018 8779 1 17 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.370 -1.298 18018 8780 1 17 . 1 1 87 87 ALA H H 87 8.206 8.206 7.908 0.298 18018 8781 1 17 . 1 1 88 88 LYS N N 88 122.850 122.850 119.132 3.718 18018 8782 1 17 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.809 0.173 18018 8783 1 17 . 1 1 88 88 LYS CA C 88 55.873 55.873 59.319 -3.446 18018 8784 1 17 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.802 -1.979 18018 8785 1 17 . 1 1 88 88 LYS H H 88 8.145 8.145 7.296 0.849 18018 8786 1 17 . 1 1 89 89 MET N N 89 118.786 118.786 118.121 0.665 18018 8787 1 17 . 1 1 89 89 MET HA H 89 3.810 3.810 4.183 -0.373 18018 8788 1 17 . 1 1 89 89 MET CA C 89 60.096 60.096 58.010 2.086 18018 8789 1 17 . 1 1 89 89 MET CB C 89 32.329 32.329 32.460 -0.131 18018 8790 1 17 . 1 1 89 89 MET H H 89 8.468 8.468 8.302 0.166 18018 8791 1 17 . 1 1 90 90 VAL N N 90 120.770 120.770 118.585 2.185 18018 8792 1 17 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.764 0.063 18018 8793 1 17 . 1 1 90 90 VAL C C 90 178.017 178.017 178.160 -0.143 18018 8794 1 17 . 1 1 90 90 VAL CA C 90 65.625 65.625 65.314 0.311 18018 8795 1 17 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.713 0.026 18018 8796 1 17 . 1 1 90 90 VAL H H 90 7.504 7.504 7.622 -0.118 18018 8797 1 17 . 1 1 91 91 GLU N N 91 124.409 124.409 120.041 4.368 18018 8798 1 17 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.945 -0.157 18018 8799 1 17 . 1 1 91 91 GLU C C 91 177.612 177.612 179.465 -1.853 18018 8800 1 17 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.658 -1.244 18018 8801 1 17 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.606 1.838 18018 8802 1 17 . 1 1 91 91 GLU H H 91 8.486 8.486 8.429 0.057 18018 8803 1 17 . 1 1 92 92 LEU N N 92 114.680 114.680 116.433 -1.753 18018 8804 1 17 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.267 0.123 18018 8805 1 17 . 1 1 92 92 LEU C C 92 177.928 177.928 179.448 -1.520 18018 8806 1 17 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.619 0.015 18018 8807 1 17 . 1 1 92 92 LEU CB C 92 40.341 40.341 40.424 -0.083 18018 8808 1 17 . 1 1 92 92 LEU H H 92 8.823 8.823 7.884 0.939 18018 8809 1 17 . 1 1 93 93 ARG N N 93 123.603 123.603 119.726 3.877 18018 8810 1 17 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.088 -0.145 18018 8811 1 17 . 1 1 93 93 ARG C C 93 176.350 176.350 177.643 -1.293 18018 8812 1 17 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.559 1.022 18018 8813 1 17 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.911 -1.008 18018 8814 1 17 . 1 1 93 93 ARG H H 93 7.690 7.690 7.847 -0.157 18018 8815 1 17 . 1 1 94 94 ALA N N 94 122.480 122.480 120.985 1.495 18018 8816 1 17 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.596 -0.335 18018 8817 1 17 . 1 1 94 94 ALA C C 94 179.805 179.805 179.008 0.797 18018 8818 1 17 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.242 0.286 18018 8819 1 17 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.691 -1.755 18018 8820 1 17 . 1 1 94 94 ALA H H 94 7.269 7.269 7.602 -0.333 18018 8821 1 17 . 1 1 95 95 THR N N 95 116.936 116.936 116.987 -0.051 18018 8822 1 17 . 1 1 95 95 THR HA H 95 4.045 4.045 3.875 0.170 18018 8823 1 17 . 1 1 95 95 THR C C 95 175.007 175.007 176.350 -1.343 18018 8824 1 17 . 1 1 95 95 THR CA C 95 65.569 65.569 67.221 -1.652 18018 8825 1 17 . 1 1 95 95 THR CB C 95 68.334 68.334 68.886 -0.552 18018 8826 1 17 . 1 1 95 95 THR H H 95 8.282 8.282 7.739 0.543 18018 8827 1 17 . 1 1 96 96 ALA N N 96 124.095 124.095 122.731 1.364 18018 8828 1 17 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.011 -0.149 18018 8829 1 17 . 1 1 96 96 ALA C C 96 178.184 178.184 179.385 -1.201 18018 8830 1 17 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.813 -0.064 18018 8831 1 17 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.267 0.503 18018 8832 1 17 . 1 1 96 96 ALA H H 96 8.681 8.681 7.825 0.856 18018 8833 1 17 . 1 1 97 97 ARG N N 97 117.328 117.328 118.394 -1.066 18018 8834 1 17 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.917 -0.131 18018 8835 1 17 . 1 1 97 97 ARG C C 97 176.770 176.770 178.779 -2.009 18018 8836 1 17 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.522 0.039 18018 8837 1 17 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.872 -0.256 18018 8838 1 17 . 1 1 97 97 ARG H H 97 8.070 8.070 8.293 -0.223 18018 8839 1 17 . 1 1 98 98 GLU N N 98 118.245 118.245 118.946 -0.701 18018 8840 1 17 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.102 0.013 18018 8841 1 17 . 1 1 98 98 GLU C C 98 178.865 178.865 178.791 0.074 18018 8842 1 17 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.677 -0.188 18018 8843 1 17 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.468 -0.957 18018 8844 1 17 . 1 1 98 98 GLU H H 98 7.855 7.855 7.708 0.147 18018 8845 1 17 . 1 1 99 99 GLN N N 99 119.735 119.735 117.119 2.616 18018 8846 1 17 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.201 -0.030 18018 8847 1 17 . 1 1 99 99 GLN C C 99 178.146 178.146 177.850 0.296 18018 8848 1 17 . 1 1 99 99 GLN CA C 99 58.245 58.245 56.850 1.395 18018 8849 1 17 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.887 -1.794 18018 8850 1 17 . 1 1 99 99 GLN H H 99 8.312 8.312 8.018 0.294 18018 8851 1 17 . 1 1 100 100 ILE N N 100 119.864 119.864 120.625 -0.761 18018 8852 1 17 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.646 0.304 18018 8853 1 17 . 1 1 100 100 ILE C C 100 178.315 178.315 178.313 0.002 18018 8854 1 17 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.839 -3.235 18018 8855 1 17 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.123 -1.627 18018 8856 1 17 . 1 1 100 100 ILE H H 100 8.445 8.445 7.621 0.824 18018 8857 1 17 . 1 1 101 101 ILE N N 101 120.514 120.514 118.283 2.231 18018 8858 1 17 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.850 0.162 18018 8859 1 17 . 1 1 101 101 ILE C C 101 177.006 177.006 178.480 -1.474 18018 8860 1 17 . 1 1 101 101 ILE CA C 101 62.977 62.977 63.665 -0.688 18018 8861 1 17 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.627 0.034 18018 8862 1 17 . 1 1 101 101 ILE H H 101 8.329 8.329 8.106 0.223 18018 8863 1 17 . 1 1 102 102 SER N N 102 116.172 116.172 114.648 1.524 18018 8864 1 17 . 1 1 102 102 SER HA H 102 4.562 4.562 4.287 0.275 18018 8865 1 17 . 1 1 102 102 SER C C 102 173.845 173.845 175.095 -1.250 18018 8866 1 17 . 1 1 102 102 SER CA C 102 59.502 59.502 60.592 -1.090 18018 8867 1 17 . 1 1 102 102 SER CB C 102 63.012 63.012 62.833 0.179 18018 8868 1 17 . 1 1 102 102 SER H H 102 7.882 7.882 8.255 -0.373 18018 8869 1 17 . 1 1 103 103 GLU N N 103 122.642 122.642 119.991 2.651 18018 8870 1 17 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.416 0.024 18018 8871 1 17 . 1 1 103 103 GLU C C 103 175.095 175.095 176.807 -1.712 18018 8872 1 17 . 1 1 103 103 GLU CA C 103 55.628 55.628 55.602 0.026 18018 8873 1 17 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.581 -0.767 18018 8874 1 17 . 1 1 103 103 GLU H H 103 7.735 7.735 7.487 0.248 18018 8875 1 18 . 1 1 4 4 PHE N N 4 122.548 122.548 122.163 0.385 18018 8876 1 18 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.236 0.447 18018 8877 1 18 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.791 -0.184 18018 8878 1 18 . 1 1 4 4 PHE CB C 4 38.895 38.895 39.587 -0.692 18018 8879 1 18 . 1 1 4 4 PHE H H 4 8.328 8.328 8.551 -0.223 18018 8880 1 18 . 1 1 7 7 ARG N N 7 121.962 121.962 120.896 1.066 18018 8881 1 18 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.337 -0.081 18018 8882 1 18 . 1 1 7 7 ARG C C 7 176.683 176.683 177.080 -0.397 18018 8883 1 18 . 1 1 7 7 ARG CA C 7 57.087 57.087 57.089 -0.002 18018 8884 1 18 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.697 -1.335 18018 8885 1 18 . 1 1 7 7 ARG H H 7 8.321 8.321 8.497 -0.176 18018 8886 1 18 . 1 1 8 8 GLU N N 8 121.095 121.095 120.054 1.041 18018 8887 1 18 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.113 0.138 18018 8888 1 18 . 1 1 8 8 GLU C C 8 176.964 176.964 177.818 -0.854 18018 8889 1 18 . 1 1 8 8 GLU CA C 8 56.933 56.933 59.178 -2.244 18018 8890 1 18 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.436 -0.581 18018 8891 1 18 . 1 1 8 8 GLU H H 8 8.388 8.388 8.503 -0.115 18018 8892 1 18 . 1 1 9 9 ARG N N 9 121.310 121.310 114.890 6.420 18018 8893 1 18 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.923 -0.583 18018 8894 1 18 . 1 1 9 9 ARG C C 9 176.563 176.563 175.609 0.954 18018 8895 1 18 . 1 1 9 9 ARG CA C 9 56.413 56.413 55.684 0.729 18018 8896 1 18 . 1 1 9 9 ARG CB C 9 29.669 29.669 30.512 -0.843 18018 8897 1 18 . 1 1 9 9 ARG H H 9 8.268 8.268 8.177 0.091 18018 8898 1 18 . 1 1 10 10 ALA N N 10 124.224 124.224 121.608 2.616 18018 8899 1 18 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.426 -0.108 18018 8900 1 18 . 1 1 10 10 ALA C C 10 178.129 178.129 177.709 0.420 18018 8901 1 18 . 1 1 10 10 ALA CA C 10 52.947 52.947 53.557 -0.610 18018 8902 1 18 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.841 -2.085 18018 8903 1 18 . 1 1 10 10 ALA H H 10 8.222 8.222 7.536 0.686 18018 8904 1 18 . 1 1 11 11 HIS N N 11 118.081 118.081 114.582 3.499 18018 8905 1 18 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.237 -0.538 18018 8906 1 18 . 1 1 11 11 HIS C C 11 175.013 175.013 176.623 -1.610 18018 8907 1 18 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.574 -1.319 18018 8908 1 18 . 1 1 11 11 HIS CB C 11 28.767 28.767 32.915 -4.148 18018 8909 1 18 . 1 1 11 11 HIS H H 11 8.486 8.486 7.927 0.559 18018 8910 1 18 . 1 1 12 12 GLU N N 12 121.492 121.492 120.032 1.460 18018 8911 1 18 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.325 -0.047 18018 8912 1 18 . 1 1 12 12 GLU C C 12 176.808 176.808 176.964 -0.156 18018 8913 1 18 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.547 -0.927 18018 8914 1 18 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.792 -0.939 18018 8915 1 18 . 1 1 12 12 GLU H H 12 8.370 8.370 7.889 0.481 18018 8916 1 18 . 1 1 13 13 ALA N N 13 123.583 123.583 121.006 2.577 18018 8917 1 18 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.635 -0.331 18018 8918 1 18 . 1 1 13 13 ALA C C 13 178.197 178.197 179.013 -0.816 18018 8919 1 18 . 1 1 13 13 ALA CA C 13 54.051 54.051 52.919 1.132 18018 8920 1 18 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.374 -1.586 18018 8921 1 18 . 1 1 13 13 ALA H H 13 8.426 8.426 8.246 0.180 18018 8922 1 18 . 1 1 14 14 LYS N N 14 119.772 119.772 119.717 0.055 18018 8923 1 18 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.809 0.409 18018 8924 1 18 . 1 1 14 14 LYS C C 14 176.757 176.757 177.858 -1.101 18018 8925 1 18 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.977 -1.867 18018 8926 1 18 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.879 -0.136 18018 8927 1 18 . 1 1 14 14 LYS H H 14 8.073 8.073 7.778 0.295 18018 8928 1 18 . 1 1 15 15 PHE N N 15 118.073 118.073 116.475 1.598 18018 8929 1 18 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.513 -0.069 18018 8930 1 18 . 1 1 15 15 PHE C C 15 175.635 175.635 177.470 -1.835 18018 8931 1 18 . 1 1 15 15 PHE CA C 15 59.001 59.001 60.491 -1.490 18018 8932 1 18 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.480 0.011 18018 8933 1 18 . 1 1 15 15 PHE H H 15 7.926 7.926 7.726 0.200 18018 8934 1 18 . 1 1 16 16 ALA N N 16 122.453 122.453 123.133 -0.680 18018 8935 1 18 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.045 0.261 18018 8936 1 18 . 1 1 16 16 ALA C C 16 177.641 177.641 178.914 -1.273 18018 8937 1 18 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.769 -1.717 18018 8938 1 18 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.124 -0.103 18018 8939 1 18 . 1 1 16 16 ALA H H 16 8.137 8.137 8.199 -0.062 18018 8940 1 18 . 1 1 17 17 HIS N N 17 115.587 115.587 115.627 -0.040 18018 8941 1 18 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.312 0.513 18018 8942 1 18 . 1 1 17 17 HIS CA C 17 55.095 55.095 59.157 -4.062 18018 8943 1 18 . 1 1 17 17 HIS CB C 17 28.958 28.958 30.579 -1.621 18018 8944 1 18 . 1 1 17 17 HIS H H 17 8.051 8.051 8.293 -0.242 18018 8945 1 18 . 1 1 18 18 ASP N N 18 121.432 121.432 112.149 9.283 18018 8946 1 18 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.846 -0.056 18018 8947 1 18 . 1 1 18 18 ASP CA C 18 53.582 53.582 54.817 -1.235 18018 8948 1 18 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.247 0.540 18018 8949 1 18 . 1 1 18 18 ASP H H 18 7.913 7.913 7.943 -0.030 18018 8950 1 18 . 1 1 19 19 ALA N N 19 126.983 126.983 121.858 5.125 18018 8951 1 18 . 1 1 19 19 ALA HA H 19 4.296 4.296 4.316 -0.020 18018 8952 1 18 . 1 1 19 19 ALA CA C 19 54.047 54.047 53.892 0.155 18018 8953 1 18 . 1 1 19 19 ALA CB C 19 17.859 17.859 18.671 -0.812 18018 8954 1 18 . 1 1 19 19 ALA H H 19 8.599 8.599 8.345 0.254 18018 8955 1 18 . 1 1 20 20 GLU N N 20 119.997 119.997 117.029 2.968 18018 8956 1 18 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.564 -0.235 18018 8957 1 18 . 1 1 20 20 GLU CA C 20 58.378 58.378 55.879 2.499 18018 8958 1 18 . 1 1 20 20 GLU CB C 20 28.877 28.877 30.696 -1.819 18018 8959 1 18 . 1 1 20 20 GLU H H 20 8.377 8.377 7.758 0.619 18018 8960 1 18 . 1 1 21 21 LEU N N 21 122.484 122.484 123.269 -0.785 18018 8961 1 18 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.339 -0.176 18018 8962 1 18 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.236 -1.111 18018 8963 1 18 . 1 1 21 21 LEU CB C 21 41.030 41.030 42.330 -1.300 18018 8964 1 18 . 1 1 21 21 LEU H H 21 8.117 8.117 7.999 0.118 18018 8965 1 18 . 1 1 22 22 ASN N N 22 117.879 117.879 117.393 0.486 18018 8966 1 18 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.390 0.302 18018 8967 1 18 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.158 0.180 18018 8968 1 18 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.744 2.394 18018 8969 1 18 . 1 1 22 22 ASN H H 22 8.507 8.507 8.648 -0.141 18018 8970 1 18 . 1 1 23 23 PHE N N 23 121.096 121.096 120.086 1.010 18018 8971 1 18 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.156 0.307 18018 8972 1 18 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.896 -1.657 18018 8973 1 18 . 1 1 23 23 PHE CB C 23 38.032 38.032 38.924 -0.892 18018 8974 1 18 . 1 1 23 23 PHE H H 23 8.465 8.465 8.596 -0.131 18018 8975 1 18 . 1 1 24 24 LYS N N 24 120.580 120.580 119.242 1.338 18018 8976 1 18 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.064 0.107 18018 8977 1 18 . 1 1 24 24 LYS C C 24 179.309 179.309 178.911 0.398 18018 8978 1 18 . 1 1 24 24 LYS CA C 24 59.041 59.041 58.981 0.060 18018 8979 1 18 . 1 1 24 24 LYS CB C 24 32.387 32.387 31.755 0.632 18018 8980 1 18 . 1 1 24 24 LYS H H 24 8.427 8.427 7.739 0.688 18018 8981 1 18 . 1 1 25 25 ALA N N 25 123.682 123.682 120.760 2.922 18018 8982 1 18 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.038 0.083 18018 8983 1 18 . 1 1 25 25 ALA C C 25 178.243 178.243 179.545 -1.302 18018 8984 1 18 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.229 -0.764 18018 8985 1 18 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.229 -0.530 18018 8986 1 18 . 1 1 25 25 ALA H H 25 8.768 8.768 8.650 0.118 18018 8987 1 18 . 1 1 26 26 GLU N N 26 122.051 122.051 118.961 3.090 18018 8988 1 18 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.986 0.035 18018 8989 1 18 . 1 1 26 26 GLU C C 26 177.265 177.265 178.751 -1.486 18018 8990 1 18 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.456 -0.995 18018 8991 1 18 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.670 -0.908 18018 8992 1 18 . 1 1 26 26 GLU H H 26 8.532 8.532 7.739 0.793 18018 8993 1 18 . 1 1 27 27 ALA N N 27 122.124 122.124 117.554 4.570 18018 8994 1 18 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.265 0.060 18018 8995 1 18 . 1 1 27 27 ALA C C 27 180.552 180.552 178.089 2.463 18018 8996 1 18 . 1 1 27 27 ALA CA C 27 54.169 54.169 53.502 0.667 18018 8997 1 18 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.462 -1.353 18018 8998 1 18 . 1 1 27 27 ALA H H 27 8.048 8.048 7.655 0.393 18018 8999 1 18 . 1 1 28 28 ARG N N 28 120.501 120.501 117.948 2.553 18018 9000 1 18 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.345 0.067 18018 9001 1 18 . 1 1 28 28 ARG C C 28 176.309 176.309 178.469 -2.160 18018 9002 1 18 . 1 1 28 28 ARG CA C 28 55.969 55.969 57.705 -1.736 18018 9003 1 18 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.816 -3.901 18018 9004 1 18 . 1 1 28 28 ARG H H 28 8.046 8.046 7.325 0.721 18018 9005 1 18 . 1 1 29 29 ARG N N 29 122.842 122.842 120.800 2.042 18018 9006 1 18 . 1 1 29 29 ARG HA H 29 3.698 3.698 3.979 -0.281 18018 9007 1 18 . 1 1 29 29 ARG CA C 29 59.416 59.416 58.853 0.563 18018 9008 1 18 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.019 -0.871 18018 9009 1 18 . 1 1 29 29 ARG H H 29 8.908 8.908 8.702 0.206 18018 9010 1 18 . 1 1 30 30 ASN N N 30 120.150 120.150 118.885 1.265 18018 9011 1 18 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.373 0.261 18018 9012 1 18 . 1 1 30 30 ASN C C 30 175.888 175.888 177.432 -1.544 18018 9013 1 18 . 1 1 30 30 ASN CA C 30 55.407 55.407 56.260 -0.853 18018 9014 1 18 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.734 -1.799 18018 9015 1 18 . 1 1 30 30 ASN H H 30 8.402 8.402 8.012 0.390 18018 9016 1 18 . 1 1 31 31 ARG N N 31 123.400 123.400 121.182 2.218 18018 9017 1 18 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.199 0.083 18018 9018 1 18 . 1 1 31 31 ARG C C 31 177.804 177.804 178.362 -0.558 18018 9019 1 18 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.258 -0.308 18018 9020 1 18 . 1 1 31 31 ARG CB C 31 29.121 29.121 30.352 -1.231 18018 9021 1 18 . 1 1 31 31 ARG H H 31 7.996 7.996 7.875 0.121 18018 9022 1 18 . 1 1 32 32 LEU N N 32 119.872 119.872 119.387 0.485 18018 9023 1 18 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.046 0.245 18018 9024 1 18 . 1 1 32 32 LEU C C 32 180.602 180.602 179.527 1.075 18018 9025 1 18 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.777 -0.531 18018 9026 1 18 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.667 -0.497 18018 9027 1 18 . 1 1 32 32 LEU H H 32 8.742 8.742 7.594 1.148 18018 9028 1 18 . 1 1 33 33 LEU N N 33 124.468 124.468 119.141 5.327 18018 9029 1 18 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.322 -0.021 18018 9030 1 18 . 1 1 33 33 LEU C C 33 177.992 177.992 178.997 -1.005 18018 9031 1 18 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.039 -0.024 18018 9032 1 18 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.965 0.274 18018 9033 1 18 . 1 1 33 33 LEU H H 33 9.249 9.249 8.278 0.971 18018 9034 1 18 . 1 1 34 34 GLY N N 34 109.045 109.045 107.938 1.107 18018 9035 1 18 . 1 1 34 34 GLY C C 34 174.530 174.530 176.019 -1.489 18018 9036 1 18 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.574 -0.127 18018 9037 1 18 . 1 1 34 34 GLY H H 34 8.873 8.873 8.751 0.122 18018 9038 1 18 . 1 1 35 35 GLU N N 35 123.414 123.414 122.372 1.042 18018 9039 1 18 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.170 0.007 18018 9040 1 18 . 1 1 35 35 GLU C C 35 178.866 178.866 178.773 0.093 18018 9041 1 18 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.600 0.431 18018 9042 1 18 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.657 -0.694 18018 9043 1 18 . 1 1 35 35 GLU H H 35 8.920 8.920 8.470 0.450 18018 9044 1 18 . 1 1 36 36 TRP N N 36 124.774 124.774 121.616 3.158 18018 9045 1 18 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.295 0.288 18018 9046 1 18 . 1 1 36 36 TRP C C 36 177.618 177.618 177.938 -0.320 18018 9047 1 18 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.767 -1.149 18018 9048 1 18 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.460 -2.866 18018 9049 1 18 . 1 1 36 36 TRP H H 36 8.510 8.510 7.466 1.044 18018 9050 1 18 . 1 1 37 37 ALA N N 37 123.777 123.777 121.211 2.566 18018 9051 1 18 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.044 0.333 18018 9052 1 18 . 1 1 37 37 ALA C C 37 177.427 177.427 178.847 -1.420 18018 9053 1 18 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.404 -0.555 18018 9054 1 18 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.665 1.381 18018 9055 1 18 . 1 1 37 37 ALA H H 37 9.122 9.122 8.253 0.869 18018 9056 1 18 . 1 1 38 38 ALA N N 38 119.259 119.259 120.298 -1.039 18018 9057 1 18 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.215 0.279 18018 9058 1 18 . 1 1 38 38 ALA C C 38 178.670 178.670 179.180 -0.510 18018 9059 1 18 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.697 -0.254 18018 9060 1 18 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.159 -0.470 18018 9061 1 18 . 1 1 38 38 ALA H H 38 8.772 8.772 8.299 0.473 18018 9062 1 18 . 1 1 39 39 GLY N N 39 104.027 104.027 103.657 0.370 18018 9063 1 18 . 1 1 39 39 GLY C C 39 177.232 177.232 175.616 1.616 18018 9064 1 18 . 1 1 39 39 GLY CA C 39 46.422 46.422 45.877 0.545 18018 9065 1 18 . 1 1 39 39 GLY H H 39 7.733 7.733 7.688 0.045 18018 9066 1 18 . 1 1 40 40 LEU N N 40 125.448 125.448 120.142 5.306 18018 9067 1 18 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.187 -0.102 18018 9068 1 18 . 1 1 40 40 LEU C C 40 178.203 178.203 177.425 0.778 18018 9069 1 18 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.903 0.815 18018 9070 1 18 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.107 -0.768 18018 9071 1 18 . 1 1 40 40 LEU H H 40 7.492 7.492 7.354 0.138 18018 9072 1 18 . 1 1 41 41 LEU N N 41 117.234 117.234 117.512 -0.278 18018 9073 1 18 . 1 1 41 41 LEU HA H 41 4.107 4.107 4.164 -0.057 18018 9074 1 18 . 1 1 41 41 LEU C C 41 176.119 176.119 177.720 -1.601 18018 9075 1 18 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.872 -1.990 18018 9076 1 18 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.979 -0.326 18018 9077 1 18 . 1 1 41 41 LEU H H 41 7.676 7.676 7.598 0.078 18018 9078 1 18 . 1 1 42 42 GLY N N 42 109.595 109.595 106.386 3.209 18018 9079 1 18 . 1 1 42 42 GLY C C 42 173.775 173.775 174.018 -0.243 18018 9080 1 18 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.905 0.343 18018 9081 1 18 . 1 1 42 42 GLY H H 42 7.869 7.869 7.664 0.205 18018 9082 1 18 . 1 1 43 43 LYS N N 43 119.965 119.965 120.229 -0.264 18018 9083 1 18 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.684 0.028 18018 9084 1 18 . 1 1 43 43 LYS C C 43 175.246 175.246 175.390 -0.144 18018 9085 1 18 . 1 1 43 43 LYS CA C 43 54.770 54.770 54.230 0.540 18018 9086 1 18 . 1 1 43 43 LYS CB C 43 33.771 33.771 34.908 -1.137 18018 9087 1 18 . 1 1 43 43 LYS H H 43 8.079 8.079 7.890 0.189 18018 9088 1 18 . 1 1 44 44 THR N N 44 114.199 114.199 110.789 3.410 18018 9089 1 18 . 1 1 44 44 THR HA H 44 4.749 4.749 4.450 0.299 18018 9090 1 18 . 1 1 44 44 THR C C 44 174.392 174.392 174.274 0.118 18018 9091 1 18 . 1 1 44 44 THR CA C 44 58.992 58.992 60.714 -1.722 18018 9092 1 18 . 1 1 44 44 THR CB C 44 71.762 71.762 71.320 0.442 18018 9093 1 18 . 1 1 44 44 THR H H 44 8.934 8.934 8.018 0.916 18018 9094 1 18 . 1 1 45 45 GLY N N 45 109.657 109.657 109.569 0.088 18018 9095 1 18 . 1 1 45 45 GLY C C 45 175.330 175.330 173.922 1.408 18018 9096 1 18 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.758 -0.613 18018 9097 1 18 . 1 1 45 45 GLY H H 45 8.862 8.862 8.559 0.303 18018 9098 1 18 . 1 1 46 46 ASP N N 46 128.403 128.403 124.860 3.543 18018 9099 1 18 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.890 -0.357 18018 9100 1 18 . 1 1 46 46 ASP C C 46 177.343 177.343 176.695 0.648 18018 9101 1 18 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.071 2.414 18018 9102 1 18 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.836 -1.958 18018 9103 1 18 . 1 1 46 46 ASP H H 46 9.283 9.283 8.276 1.007 18018 9104 1 18 . 1 1 47 47 ASP N N 47 121.367 121.367 122.934 -1.567 18018 9105 1 18 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.472 0.164 18018 9106 1 18 . 1 1 47 47 ASP CA C 47 56.140 56.140 58.017 -1.877 18018 9107 1 18 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.923 -0.947 18018 9108 1 18 . 1 1 47 47 ASP H H 47 8.488 8.488 8.396 0.092 18018 9109 1 18 . 1 1 48 48 ALA N N 48 123.210 123.210 121.541 1.669 18018 9110 1 18 . 1 1 48 48 ALA HA H 48 3.917 3.917 3.987 -0.070 18018 9111 1 18 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.390 -1.343 18018 9112 1 18 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.671 -2.029 18018 9113 1 18 . 1 1 48 48 ALA H H 48 7.235 7.235 7.751 -0.516 18018 9114 1 18 . 1 1 49 49 ARG N N 49 120.088 120.088 118.981 1.107 18018 9115 1 18 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.949 0.159 18018 9116 1 18 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.283 -0.583 18018 9117 1 18 . 1 1 49 49 ARG CB C 49 29.565 29.565 29.935 -0.370 18018 9118 1 18 . 1 1 49 49 ARG H H 49 7.777 7.777 8.263 -0.486 18018 9119 1 18 . 1 1 50 50 ALA N N 50 120.988 120.988 121.826 -0.838 18018 9120 1 18 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.119 0.072 18018 9121 1 18 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.690 -0.606 18018 9122 1 18 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.097 -0.818 18018 9123 1 18 . 1 1 50 50 ALA H H 50 8.350 8.350 8.022 0.328 18018 9124 1 18 . 1 1 51 51 TYR N N 51 119.264 119.264 118.929 0.335 18018 9125 1 18 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.163 0.038 18018 9126 1 18 . 1 1 51 51 TYR C C 51 178.335 178.335 176.621 1.714 18018 9127 1 18 . 1 1 51 51 TYR CA C 51 61.087 61.087 60.985 0.102 18018 9128 1 18 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.587 -0.747 18018 9129 1 18 . 1 1 51 51 TYR H H 51 8.054 8.054 8.167 -0.113 18018 9130 1 18 . 1 1 52 52 ALA N N 52 124.002 124.002 119.411 4.591 18018 9131 1 18 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.349 -0.482 18018 9132 1 18 . 1 1 52 52 ALA C C 52 178.352 178.352 177.803 0.549 18018 9133 1 18 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.550 1.520 18018 9134 1 18 . 1 1 52 52 ALA CB C 52 16.835 16.835 19.121 -2.286 18018 9135 1 18 . 1 1 52 52 ALA H H 52 8.611 8.611 8.044 0.567 18018 9136 1 18 . 1 1 53 53 LEU N N 53 116.323 116.323 115.739 0.584 18018 9137 1 18 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.513 -0.229 18018 9138 1 18 . 1 1 53 53 LEU C C 53 177.452 177.452 177.490 -0.038 18018 9139 1 18 . 1 1 53 53 LEU CA C 53 55.862 55.862 55.292 0.570 18018 9140 1 18 . 1 1 53 53 LEU CB C 53 41.275 41.275 40.823 0.452 18018 9141 1 18 . 1 1 53 53 LEU H H 53 7.591 7.591 7.377 0.214 18018 9142 1 18 . 1 1 54 54 THR N N 54 110.782 110.782 115.377 -4.595 18018 9143 1 18 . 1 1 54 54 THR HA H 54 4.392 4.392 4.305 0.087 18018 9144 1 18 . 1 1 54 54 THR CA C 54 62.390 62.390 63.694 -1.304 18018 9145 1 18 . 1 1 54 54 THR H H 54 7.947 7.947 7.779 0.168 18018 9146 1 18 . 1 1 55 55 VAL N N 55 123.763 123.763 120.573 3.190 18018 9147 1 18 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.025 -0.143 18018 9148 1 18 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.578 -0.834 18018 9149 1 18 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.435 -1.564 18018 9150 1 18 . 1 1 55 55 VAL H H 55 7.171 7.171 8.256 -1.085 18018 9151 1 18 . 1 1 56 56 VAL N N 56 118.917 118.917 119.739 -0.822 18018 9152 1 18 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.442 -0.052 18018 9153 1 18 . 1 1 56 56 VAL CA C 56 60.780 60.780 61.656 -0.875 18018 9154 1 18 . 1 1 56 56 VAL CB C 56 33.490 33.490 30.065 3.425 18018 9155 1 18 . 1 1 56 56 VAL H H 56 7.409 7.409 7.592 -0.183 18018 9156 1 18 . 1 1 57 57 THR N N 57 115.599 115.599 118.876 -3.277 18018 9157 1 18 . 1 1 57 57 THR HA H 57 4.532 4.532 4.532 0.000 18018 9158 1 18 . 1 1 57 57 THR CA C 57 60.614 60.614 62.504 -1.890 18018 9159 1 18 . 1 1 57 57 THR CB C 57 68.892 68.892 69.628 -0.736 18018 9160 1 18 . 1 1 57 57 THR H H 57 7.916 7.916 8.230 -0.314 18018 9161 1 18 . 1 1 58 58 SER N N 58 120.007 120.007 118.959 1.048 18018 9162 1 18 . 1 1 58 58 SER HA H 58 4.547 4.547 4.752 -0.205 18018 9163 1 18 . 1 1 58 58 SER CA C 58 57.770 57.770 58.335 -0.565 18018 9164 1 18 . 1 1 58 58 SER CB C 58 63.162 63.162 62.858 0.304 18018 9165 1 18 . 1 1 58 58 SER H H 58 8.580 8.580 8.424 0.156 18018 9166 1 18 . 1 1 59 59 ASP N N 59 122.731 122.731 121.201 1.530 18018 9167 1 18 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.887 -0.197 18018 9168 1 18 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.549 -1.093 18018 9169 1 18 . 1 1 59 59 ASP CB C 59 40.748 40.748 43.376 -2.628 18018 9170 1 18 . 1 1 59 59 ASP H H 59 8.399 8.399 8.135 0.264 18018 9171 1 18 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.466 -0.298 18018 9172 1 18 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.300 1.754 18018 9173 1 18 . 1 1 60 60 PHE CB C 60 35.813 35.813 41.224 -5.411 18018 9174 1 18 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.331 0.265 18018 9175 1 18 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.360 -0.412 18018 9176 1 18 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.134 -0.607 18018 9177 1 18 . 1 1 64 64 GLY N N 64 110.688 110.688 107.675 3.013 18018 9178 1 18 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.799 -0.129 18018 9179 1 18 . 1 1 64 64 GLY H H 64 8.725 8.725 7.361 1.364 18018 9180 1 18 . 1 1 65 65 ASP N N 65 122.028 122.028 121.127 0.901 18018 9181 1 18 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.276 0.387 18018 9182 1 18 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.034 -0.269 18018 9183 1 18 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.711 -0.249 18018 9184 1 18 . 1 1 65 65 ASP H H 65 8.649 8.649 8.496 0.153 18018 9185 1 18 . 1 1 67 67 ASP N N 67 120.095 120.095 118.055 2.040 18018 9186 1 18 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.528 0.053 18018 9187 1 18 . 1 1 67 67 ASP CA C 67 56.553 56.553 55.566 0.987 18018 9188 1 18 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.742 -0.871 18018 9189 1 18 . 1 1 67 67 ASP H H 67 8.181 8.181 8.404 -0.223 18018 9190 1 18 . 1 1 68 68 VAL N N 68 123.206 123.206 120.340 2.866 18018 9191 1 18 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.703 0.114 18018 9192 1 18 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.659 0.056 18018 9193 1 18 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.610 -0.185 18018 9194 1 18 . 1 1 68 68 VAL H H 68 8.014 8.014 7.678 0.336 18018 9195 1 18 . 1 1 69 69 PHE N N 69 120.318 120.318 119.946 0.372 18018 9196 1 18 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.212 -0.090 18018 9197 1 18 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.949 -0.207 18018 9198 1 18 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.120 -0.879 18018 9199 1 18 . 1 1 69 69 PHE H H 69 8.501 8.501 8.291 0.210 18018 9200 1 18 . 1 1 70 70 ARG N N 70 117.820 117.820 118.922 -1.102 18018 9201 1 18 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.864 -0.152 18018 9202 1 18 . 1 1 70 70 ARG C C 70 178.813 178.813 178.682 0.131 18018 9203 1 18 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.217 -0.371 18018 9204 1 18 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.697 0.085 18018 9205 1 18 . 1 1 70 70 ARG H H 70 8.598 8.598 8.150 0.448 18018 9206 1 18 . 1 1 71 71 LYS N N 71 121.726 121.726 120.989 0.737 18018 9207 1 18 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.079 0.144 18018 9208 1 18 . 1 1 71 71 LYS C C 71 177.020 177.020 178.949 -1.929 18018 9209 1 18 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.202 -0.712 18018 9210 1 18 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.251 -0.365 18018 9211 1 18 . 1 1 71 71 LYS H H 71 7.658 7.658 8.009 -0.351 18018 9212 1 18 . 1 1 72 72 LEU N N 72 119.355 119.355 119.178 0.177 18018 9213 1 18 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.044 -0.019 18018 9214 1 18 . 1 1 72 72 LEU C C 72 177.378 177.378 179.015 -1.637 18018 9215 1 18 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.128 -1.142 18018 9216 1 18 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.983 -0.137 18018 9217 1 18 . 1 1 72 72 LEU H H 72 8.173 8.173 8.361 -0.188 18018 9218 1 18 . 1 1 73 73 ALA N N 73 121.169 121.169 121.290 -0.121 18018 9219 1 18 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.813 -0.081 18018 9220 1 18 . 1 1 73 73 ALA C C 73 179.644 179.644 178.729 0.915 18018 9221 1 18 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.734 -0.910 18018 9222 1 18 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.147 -1.611 18018 9223 1 18 . 1 1 73 73 ALA H H 73 9.151 9.151 8.210 0.941 18018 9224 1 18 . 1 1 74 74 ALA N N 74 119.383 119.383 117.385 1.998 18018 9225 1 18 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.050 0.313 18018 9226 1 18 . 1 1 74 74 ALA C C 74 179.752 179.752 178.510 1.242 18018 9227 1 18 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.749 -0.225 18018 9228 1 18 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.506 -0.862 18018 9229 1 18 . 1 1 74 74 ALA H H 74 7.379 7.379 7.540 -0.161 18018 9230 1 18 . 1 1 75 75 ASP N N 75 120.226 120.226 118.197 2.029 18018 9231 1 18 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.628 -0.133 18018 9232 1 18 . 1 1 75 75 ASP C C 75 177.704 177.704 177.100 0.604 18018 9233 1 18 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.210 -0.223 18018 9234 1 18 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.902 -2.958 18018 9235 1 18 . 1 1 75 75 ASP H H 75 8.474 8.474 7.586 0.888 18018 9236 1 18 . 1 1 76 76 LEU N N 76 115.468 115.468 117.637 -2.169 18018 9237 1 18 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.474 -0.082 18018 9238 1 18 . 1 1 76 76 LEU C C 76 174.790 174.790 175.998 -1.208 18018 9239 1 18 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.529 -0.905 18018 9240 1 18 . 1 1 76 76 LEU CB C 76 40.199 40.199 41.962 -1.764 18018 9241 1 18 . 1 1 76 76 LEU H H 76 8.599 8.599 7.436 1.163 18018 9242 1 18 . 1 1 77 77 GLU N N 77 124.833 124.833 121.947 2.886 18018 9243 1 18 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.049 0.291 18018 9244 1 18 . 1 1 77 77 GLU C C 77 176.953 176.953 176.954 -0.001 18018 9245 1 18 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.861 0.450 18018 9246 1 18 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.086 -0.471 18018 9247 1 18 . 1 1 77 77 GLU H H 77 7.115 7.115 7.735 -0.620 18018 9248 1 18 . 1 1 78 78 GLY N N 78 118.193 118.193 113.397 4.796 18018 9249 1 18 . 1 1 78 78 GLY C C 78 173.075 173.075 174.591 -1.516 18018 9250 1 18 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.905 -0.800 18018 9251 1 18 . 1 1 78 78 GLY H H 78 9.371 9.371 8.925 0.446 18018 9252 1 18 . 1 1 79 79 LYS N N 79 120.237 120.237 119.034 1.203 18018 9253 1 18 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.499 0.132 18018 9254 1 18 . 1 1 79 79 LYS C C 79 175.050 175.050 175.280 -0.230 18018 9255 1 18 . 1 1 79 79 LYS CA C 79 55.225 55.225 55.920 -0.695 18018 9256 1 18 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.699 -0.637 18018 9257 1 18 . 1 1 79 79 LYS H H 79 8.799 8.799 8.426 0.373 18018 9258 1 18 . 1 1 80 80 ALA N N 80 121.135 121.135 120.644 0.491 18018 9259 1 18 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.561 0.303 18018 9260 1 18 . 1 1 80 80 ALA C C 80 174.051 174.051 174.705 -0.654 18018 9261 1 18 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.800 -0.929 18018 9262 1 18 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.525 -0.398 18018 9263 1 18 . 1 1 80 80 ALA H H 80 8.126 8.126 7.703 0.423 18018 9264 1 18 . 1 1 81 81 ASP N N 81 121.569 121.569 121.884 -0.315 18018 9265 1 18 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.951 -0.083 18018 9266 1 18 . 1 1 81 81 ASP CA C 81 50.969 50.969 52.627 -1.658 18018 9267 1 18 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.922 -1.636 18018 9268 1 18 . 1 1 81 81 ASP H H 81 8.283 8.283 8.565 -0.282 18018 9269 1 18 . 1 1 82 82 GLU N N 82 120.044 120.044 121.259 -1.215 18018 9270 1 18 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.294 -0.128 18018 9271 1 18 . 1 1 82 82 GLU C C 82 177.350 177.350 178.558 -1.208 18018 9272 1 18 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.665 -0.447 18018 9273 1 18 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.898 -1.272 18018 9274 1 18 . 1 1 82 82 GLU H H 82 8.891 8.891 8.680 0.211 18018 9275 1 18 . 1 1 83 83 GLU N N 83 119.348 119.348 117.116 2.232 18018 9276 1 18 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.155 -0.008 18018 9277 1 18 . 1 1 83 83 GLU C C 83 178.794 178.794 177.443 1.351 18018 9278 1 18 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.547 0.535 18018 9279 1 18 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.435 -1.060 18018 9280 1 18 . 1 1 83 83 GLU H H 83 8.827 8.827 8.871 -0.044 18018 9281 1 18 . 1 1 84 84 THR N N 84 119.678 119.678 113.762 5.916 18018 9282 1 18 . 1 1 84 84 THR HA H 84 4.131 4.131 4.434 -0.303 18018 9283 1 18 . 1 1 84 84 THR C C 84 176.165 176.165 175.926 0.239 18018 9284 1 18 . 1 1 84 84 THR CA C 84 66.422 66.422 65.190 1.232 18018 9285 1 18 . 1 1 84 84 THR CB C 84 65.645 65.645 70.533 -4.888 18018 9286 1 18 . 1 1 84 84 THR H H 84 8.552 8.552 7.985 0.567 18018 9287 1 18 . 1 1 85 85 ILE N N 85 123.677 123.677 123.826 -0.149 18018 9288 1 18 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.585 0.234 18018 9289 1 18 . 1 1 85 85 ILE C C 85 174.809 174.809 177.552 -2.743 18018 9290 1 18 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.387 -0.804 18018 9291 1 18 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.904 0.586 18018 9292 1 18 . 1 1 85 85 ILE H H 85 8.571 8.571 8.847 -0.276 18018 9293 1 18 . 1 1 86 86 ARG N N 86 119.556 119.556 119.249 0.307 18018 9294 1 18 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.027 0.144 18018 9295 1 18 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.259 0.360 18018 9296 1 18 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.702 -0.844 18018 9297 1 18 . 1 1 86 86 ARG H H 86 9.093 9.093 8.457 0.636 18018 9298 1 18 . 1 1 87 87 ALA N N 87 121.431 121.431 122.747 -1.316 18018 9299 1 18 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.023 0.265 18018 9300 1 18 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.358 -1.203 18018 9301 1 18 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.985 -0.913 18018 9302 1 18 . 1 1 87 87 ALA H H 87 8.206 8.206 7.626 0.580 18018 9303 1 18 . 1 1 88 88 LYS N N 88 122.850 122.850 118.494 4.356 18018 9304 1 18 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.821 0.161 18018 9305 1 18 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.526 -2.653 18018 9306 1 18 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.580 -1.757 18018 9307 1 18 . 1 1 88 88 LYS H H 88 8.145 8.145 8.032 0.113 18018 9308 1 18 . 1 1 89 89 MET N N 89 118.786 118.786 119.756 -0.970 18018 9309 1 18 . 1 1 89 89 MET HA H 89 3.810 3.810 4.049 -0.239 18018 9310 1 18 . 1 1 89 89 MET CA C 89 60.096 60.096 58.894 1.202 18018 9311 1 18 . 1 1 89 89 MET CB C 89 32.329 32.329 32.523 -0.194 18018 9312 1 18 . 1 1 89 89 MET H H 89 8.468 8.468 8.038 0.430 18018 9313 1 18 . 1 1 90 90 VAL N N 90 120.770 120.770 119.851 0.919 18018 9314 1 18 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.521 0.306 18018 9315 1 18 . 1 1 90 90 VAL C C 90 178.017 178.017 177.756 0.261 18018 9316 1 18 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.369 -0.744 18018 9317 1 18 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.537 0.202 18018 9318 1 18 . 1 1 90 90 VAL H H 90 7.504 7.504 8.237 -0.733 18018 9319 1 18 . 1 1 91 91 GLU N N 91 124.409 124.409 119.517 4.892 18018 9320 1 18 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.103 -0.315 18018 9321 1 18 . 1 1 91 91 GLU C C 91 177.612 177.612 176.558 1.054 18018 9322 1 18 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.438 -0.024 18018 9323 1 18 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.694 1.750 18018 9324 1 18 . 1 1 91 91 GLU H H 91 8.486 8.486 8.311 0.175 18018 9325 1 18 . 1 1 92 92 LEU N N 92 114.680 114.680 117.946 -3.266 18018 9326 1 18 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.492 -0.102 18018 9327 1 18 . 1 1 92 92 LEU C C 92 177.928 177.928 176.213 1.715 18018 9328 1 18 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.083 1.551 18018 9329 1 18 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.420 -2.079 18018 9330 1 18 . 1 1 92 92 LEU H H 92 8.823 8.823 7.275 1.548 18018 9331 1 18 . 1 1 93 93 ARG N N 93 123.603 123.603 119.611 3.992 18018 9332 1 18 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.409 -0.466 18018 9333 1 18 . 1 1 93 93 ARG C C 93 176.350 176.350 176.923 -0.573 18018 9334 1 18 . 1 1 93 93 ARG CA C 93 59.581 59.581 57.215 2.366 18018 9335 1 18 . 1 1 93 93 ARG CB C 93 28.903 28.903 31.770 -2.867 18018 9336 1 18 . 1 1 93 93 ARG H H 93 7.690 7.690 8.125 -0.435 18018 9337 1 18 . 1 1 94 94 ALA N N 94 122.480 122.480 122.207 0.273 18018 9338 1 18 . 1 1 94 94 ALA HA H 94 4.261 4.261 3.976 0.285 18018 9339 1 18 . 1 1 94 94 ALA C C 94 179.805 179.805 179.241 0.564 18018 9340 1 18 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.392 -0.863 18018 9341 1 18 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.273 -1.337 18018 9342 1 18 . 1 1 94 94 ALA H H 94 7.269 7.269 8.111 -0.842 18018 9343 1 18 . 1 1 95 95 THR N N 95 116.936 116.936 113.657 3.279 18018 9344 1 18 . 1 1 95 95 THR HA H 95 4.045 4.045 3.939 0.106 18018 9345 1 18 . 1 1 95 95 THR C C 95 175.007 175.007 176.097 -1.090 18018 9346 1 18 . 1 1 95 95 THR CA C 95 65.569 65.569 66.308 -0.739 18018 9347 1 18 . 1 1 95 95 THR CB C 95 68.334 68.334 68.542 -0.208 18018 9348 1 18 . 1 1 95 95 THR H H 95 8.282 8.282 8.385 -0.103 18018 9349 1 18 . 1 1 96 96 ALA N N 96 124.095 124.095 124.899 -0.804 18018 9350 1 18 . 1 1 96 96 ALA HA H 96 3.862 3.862 3.864 -0.002 18018 9351 1 18 . 1 1 96 96 ALA C C 96 178.184 178.184 178.955 -0.771 18018 9352 1 18 . 1 1 96 96 ALA CA C 96 54.749 54.749 55.147 -0.398 18018 9353 1 18 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.271 0.499 18018 9354 1 18 . 1 1 96 96 ALA H H 96 8.681 8.681 7.699 0.982 18018 9355 1 18 . 1 1 97 97 ARG N N 97 117.328 117.328 119.030 -1.702 18018 9356 1 18 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.897 -0.111 18018 9357 1 18 . 1 1 97 97 ARG C C 97 176.770 176.770 178.585 -1.815 18018 9358 1 18 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.604 -0.043 18018 9359 1 18 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.052 -0.436 18018 9360 1 18 . 1 1 97 97 ARG H H 97 8.070 8.070 8.150 -0.080 18018 9361 1 18 . 1 1 98 98 GLU N N 98 118.245 118.245 118.412 -0.167 18018 9362 1 18 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.071 0.044 18018 9363 1 18 . 1 1 98 98 GLU C C 98 178.865 178.865 179.254 -0.389 18018 9364 1 18 . 1 1 98 98 GLU CA C 98 58.489 58.489 59.114 -0.625 18018 9365 1 18 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.541 -1.030 18018 9366 1 18 . 1 1 98 98 GLU H H 98 7.855 7.855 7.723 0.132 18018 9367 1 18 . 1 1 99 99 GLN N N 99 119.735 119.735 119.626 0.109 18018 9368 1 18 . 1 1 99 99 GLN HA H 99 4.171 4.171 3.978 0.193 18018 9369 1 18 . 1 1 99 99 GLN C C 99 178.146 178.146 178.637 -0.491 18018 9370 1 18 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.896 -0.651 18018 9371 1 18 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.549 -1.455 18018 9372 1 18 . 1 1 99 99 GLN H H 99 8.312 8.312 8.369 -0.057 18018 9373 1 18 . 1 1 100 100 ILE N N 100 119.864 119.864 117.405 2.459 18018 9374 1 18 . 1 1 100 100 ILE HA H 100 3.950 3.950 4.023 -0.073 18018 9375 1 18 . 1 1 100 100 ILE C C 100 178.315 178.315 177.424 0.891 18018 9376 1 18 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.502 -1.898 18018 9377 1 18 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.051 -1.555 18018 9378 1 18 . 1 1 100 100 ILE H H 100 8.445 8.445 7.758 0.687 18018 9379 1 18 . 1 1 101 101 ILE N N 101 120.514 120.514 115.628 4.886 18018 9380 1 18 . 1 1 101 101 ILE HA H 101 4.012 4.012 4.027 -0.015 18018 9381 1 18 . 1 1 101 101 ILE C C 101 177.006 177.006 178.350 -1.344 18018 9382 1 18 . 1 1 101 101 ILE CA C 101 62.977 62.977 61.899 1.078 18018 9383 1 18 . 1 1 101 101 ILE CB C 101 36.661 36.661 38.461 -1.800 18018 9384 1 18 . 1 1 101 101 ILE H H 101 8.329 8.329 7.585 0.744 18018 9385 1 18 . 1 1 102 102 SER N N 102 116.172 116.172 117.090 -0.918 18018 9386 1 18 . 1 1 102 102 SER HA H 102 4.562 4.562 4.232 0.330 18018 9387 1 18 . 1 1 102 102 SER C C 102 173.845 173.845 176.094 -2.249 18018 9388 1 18 . 1 1 102 102 SER CA C 102 59.502 59.502 61.241 -1.739 18018 9389 1 18 . 1 1 102 102 SER CB C 102 63.012 63.012 63.322 -0.310 18018 9390 1 18 . 1 1 102 102 SER H H 102 7.882 7.882 7.995 -0.113 18018 9391 1 18 . 1 1 103 103 GLU N N 103 122.642 122.642 119.143 3.499 18018 9392 1 18 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.279 0.161 18018 9393 1 18 . 1 1 103 103 GLU C C 103 175.095 175.095 176.672 -1.577 18018 9394 1 18 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.731 -1.103 18018 9395 1 18 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.014 -0.201 18018 9396 1 18 . 1 1 103 103 GLU H H 103 7.735 7.735 7.960 -0.225 18018 9397 1 19 . 1 1 4 4 PHE N N 4 122.548 122.548 118.594 3.954 18018 9398 1 19 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.710 -0.027 18018 9399 1 19 . 1 1 4 4 PHE CA C 4 57.607 57.607 57.430 0.177 18018 9400 1 19 . 1 1 4 4 PHE CB C 4 38.895 38.895 39.366 -0.471 18018 9401 1 19 . 1 1 4 4 PHE H H 4 8.328 8.328 7.084 1.244 18018 9402 1 19 . 1 1 7 7 ARG N N 7 121.962 121.962 117.040 4.922 18018 9403 1 19 . 1 1 7 7 ARG HA H 7 4.256 4.256 3.977 0.279 18018 9404 1 19 . 1 1 7 7 ARG C C 7 176.683 176.683 174.613 2.070 18018 9405 1 19 . 1 1 7 7 ARG CA C 7 57.087 57.087 56.762 0.325 18018 9406 1 19 . 1 1 7 7 ARG CB C 7 29.362 29.362 29.546 -0.184 18018 9407 1 19 . 1 1 7 7 ARG H H 7 8.321 8.321 8.379 -0.058 18018 9408 1 19 . 1 1 8 8 GLU N N 8 121.095 121.095 120.406 0.689 18018 9409 1 19 . 1 1 8 8 GLU HA H 8 4.251 4.251 3.997 0.254 18018 9410 1 19 . 1 1 8 8 GLU C C 8 176.964 176.964 176.477 0.487 18018 9411 1 19 . 1 1 8 8 GLU CA C 8 56.933 56.933 56.822 0.111 18018 9412 1 19 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.539 -0.684 18018 9413 1 19 . 1 1 8 8 GLU H H 8 8.388 8.388 8.308 0.080 18018 9414 1 19 . 1 1 9 9 ARG N N 9 121.310 121.310 125.981 -4.671 18018 9415 1 19 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.832 0.508 18018 9416 1 19 . 1 1 9 9 ARG C C 9 176.563 176.563 176.481 0.082 18018 9417 1 19 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.909 -1.496 18018 9418 1 19 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.957 0.712 18018 9419 1 19 . 1 1 9 9 ARG H H 9 8.268 8.268 8.748 -0.480 18018 9420 1 19 . 1 1 10 10 ALA N N 10 124.224 124.224 120.789 3.435 18018 9421 1 19 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.009 0.309 18018 9422 1 19 . 1 1 10 10 ALA C C 10 178.129 178.129 176.879 1.250 18018 9423 1 19 . 1 1 10 10 ALA CA C 10 52.947 52.947 53.854 -0.907 18018 9424 1 19 . 1 1 10 10 ALA CB C 10 17.756 17.756 17.748 0.008 18018 9425 1 19 . 1 1 10 10 ALA H H 10 8.222 8.222 8.550 -0.328 18018 9426 1 19 . 1 1 11 11 HIS N N 11 118.081 118.081 116.122 1.959 18018 9427 1 19 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.938 -0.239 18018 9428 1 19 . 1 1 11 11 HIS C C 11 175.013 175.013 176.747 -1.734 18018 9429 1 19 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.487 -1.232 18018 9430 1 19 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.862 -3.095 18018 9431 1 19 . 1 1 11 11 HIS H H 11 8.486 8.486 8.201 0.285 18018 9432 1 19 . 1 1 12 12 GLU N N 12 121.492 121.492 120.921 0.571 18018 9433 1 19 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.069 0.209 18018 9434 1 19 . 1 1 12 12 GLU C C 12 176.808 176.808 178.002 -1.194 18018 9435 1 19 . 1 1 12 12 GLU CA C 12 57.621 57.621 59.694 -2.073 18018 9436 1 19 . 1 1 12 12 GLU CB C 12 28.853 28.853 28.970 -0.117 18018 9437 1 19 . 1 1 12 12 GLU H H 12 8.370 8.370 8.965 -0.595 18018 9438 1 19 . 1 1 13 13 ALA N N 13 123.583 123.583 120.154 3.429 18018 9439 1 19 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.357 -0.053 18018 9440 1 19 . 1 1 13 13 ALA C C 13 178.197 178.197 179.217 -1.020 18018 9441 1 19 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.769 0.282 18018 9442 1 19 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.466 -0.678 18018 9443 1 19 . 1 1 13 13 ALA H H 13 8.426 8.426 8.406 0.020 18018 9444 1 19 . 1 1 14 14 LYS N N 14 119.772 119.772 120.030 -0.258 18018 9445 1 19 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.898 0.320 18018 9446 1 19 . 1 1 14 14 LYS C C 14 176.757 176.757 178.203 -1.446 18018 9447 1 19 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.761 -1.651 18018 9448 1 19 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.898 -0.155 18018 9449 1 19 . 1 1 14 14 LYS H H 14 8.073 8.073 7.648 0.425 18018 9450 1 19 . 1 1 15 15 PHE N N 15 118.073 118.073 116.105 1.968 18018 9451 1 19 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.667 -0.223 18018 9452 1 19 . 1 1 15 15 PHE C C 15 175.635 175.635 178.261 -2.626 18018 9453 1 19 . 1 1 15 15 PHE CA C 15 59.001 59.001 59.846 -0.846 18018 9454 1 19 . 1 1 15 15 PHE CB C 15 38.491 38.491 39.233 -0.742 18018 9455 1 19 . 1 1 15 15 PHE H H 15 7.926 7.926 7.782 0.144 18018 9456 1 19 . 1 1 16 16 ALA N N 16 122.453 122.453 122.500 -0.047 18018 9457 1 19 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.119 0.187 18018 9458 1 19 . 1 1 16 16 ALA C C 16 177.641 177.641 178.821 -1.180 18018 9459 1 19 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.543 -1.491 18018 9460 1 19 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.471 -0.450 18018 9461 1 19 . 1 1 16 16 ALA H H 16 8.137 8.137 7.903 0.234 18018 9462 1 19 . 1 1 17 17 HIS N N 17 115.587 115.587 115.641 -0.054 18018 9463 1 19 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.526 0.299 18018 9464 1 19 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.315 -1.220 18018 9465 1 19 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.538 -0.580 18018 9466 1 19 . 1 1 17 17 HIS H H 17 8.051 8.051 8.273 -0.222 18018 9467 1 19 . 1 1 18 18 ASP N N 18 121.432 121.432 118.328 3.104 18018 9468 1 19 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.361 0.429 18018 9469 1 19 . 1 1 18 18 ASP CA C 18 53.582 53.582 56.106 -2.524 18018 9470 1 19 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.237 0.550 18018 9471 1 19 . 1 1 18 18 ASP H H 18 7.913 7.913 7.900 0.013 18018 9472 1 19 . 1 1 19 19 ALA N N 19 126.983 126.983 121.893 5.090 18018 9473 1 19 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.879 0.417 18018 9474 1 19 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.745 -0.698 18018 9475 1 19 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.131 0.728 18018 9476 1 19 . 1 1 19 19 ALA H H 19 8.599 8.599 8.573 0.026 18018 9477 1 19 . 1 1 20 20 GLU N N 20 119.997 119.997 119.893 0.104 18018 9478 1 19 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.069 0.260 18018 9479 1 19 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.173 -0.795 18018 9480 1 19 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.480 -0.603 18018 9481 1 19 . 1 1 20 20 GLU H H 20 8.377 8.377 8.062 0.315 18018 9482 1 19 . 1 1 21 21 LEU N N 21 122.484 122.484 120.471 2.013 18018 9483 1 19 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.295 -0.132 18018 9484 1 19 . 1 1 21 21 LEU CA C 21 57.125 57.125 57.949 -0.824 18018 9485 1 19 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.731 -0.701 18018 9486 1 19 . 1 1 21 21 LEU H H 21 8.117 8.117 7.627 0.490 18018 9487 1 19 . 1 1 22 22 ASN N N 22 117.879 117.879 118.024 -0.145 18018 9488 1 19 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.411 0.281 18018 9489 1 19 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.557 -0.219 18018 9490 1 19 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.639 2.499 18018 9491 1 19 . 1 1 22 22 ASN H H 22 8.507 8.507 7.964 0.543 18018 9492 1 19 . 1 1 23 23 PHE N N 23 121.096 121.096 122.098 -1.002 18018 9493 1 19 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.185 0.278 18018 9494 1 19 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.520 -1.281 18018 9495 1 19 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.297 -1.265 18018 9496 1 19 . 1 1 23 23 PHE H H 23 8.465 8.465 8.415 0.050 18018 9497 1 19 . 1 1 24 24 LYS N N 24 120.580 120.580 118.126 2.454 18018 9498 1 19 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.075 0.096 18018 9499 1 19 . 1 1 24 24 LYS C C 24 179.309 179.309 178.986 0.323 18018 9500 1 19 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.842 -0.801 18018 9501 1 19 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.290 0.097 18018 9502 1 19 . 1 1 24 24 LYS H H 24 8.427 8.427 8.543 -0.116 18018 9503 1 19 . 1 1 25 25 ALA N N 25 123.682 123.682 120.593 3.089 18018 9504 1 19 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.364 -0.243 18018 9505 1 19 . 1 1 25 25 ALA C C 25 178.243 178.243 179.744 -1.501 18018 9506 1 19 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.422 0.042 18018 9507 1 19 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.346 -0.647 18018 9508 1 19 . 1 1 25 25 ALA H H 25 8.768 8.768 8.015 0.753 18018 9509 1 19 . 1 1 26 26 GLU N N 26 122.051 122.051 119.915 2.136 18018 9510 1 19 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.981 0.040 18018 9511 1 19 . 1 1 26 26 GLU C C 26 177.265 177.265 178.843 -1.578 18018 9512 1 19 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.193 -0.732 18018 9513 1 19 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.565 -0.803 18018 9514 1 19 . 1 1 26 26 GLU H H 26 8.532 8.532 7.656 0.876 18018 9515 1 19 . 1 1 27 27 ALA N N 27 122.124 122.124 122.971 -0.847 18018 9516 1 19 . 1 1 27 27 ALA HA H 27 4.325 4.325 3.916 0.409 18018 9517 1 19 . 1 1 27 27 ALA C C 27 180.552 180.552 179.372 1.180 18018 9518 1 19 . 1 1 27 27 ALA CA C 27 54.169 54.169 55.360 -1.191 18018 9519 1 19 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.259 -1.150 18018 9520 1 19 . 1 1 27 27 ALA H H 27 8.048 8.048 7.531 0.517 18018 9521 1 19 . 1 1 28 28 ARG N N 28 120.501 120.501 118.990 1.511 18018 9522 1 19 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.019 0.393 18018 9523 1 19 . 1 1 28 28 ARG C C 28 176.309 176.309 178.375 -2.066 18018 9524 1 19 . 1 1 28 28 ARG CA C 28 55.969 55.969 59.042 -3.073 18018 9525 1 19 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.116 -3.200 18018 9526 1 19 . 1 1 28 28 ARG H H 28 8.046 8.046 8.499 -0.453 18018 9527 1 19 . 1 1 29 29 ARG N N 29 122.842 122.842 117.171 5.671 18018 9528 1 19 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.159 -0.461 18018 9529 1 19 . 1 1 29 29 ARG CA C 29 59.416 59.416 58.800 0.616 18018 9530 1 19 . 1 1 29 29 ARG CB C 29 28.148 28.148 28.870 -0.722 18018 9531 1 19 . 1 1 29 29 ARG H H 29 8.908 8.908 8.125 0.783 18018 9532 1 19 . 1 1 30 30 ASN N N 30 120.150 120.150 119.243 0.907 18018 9533 1 19 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.594 0.040 18018 9534 1 19 . 1 1 30 30 ASN C C 30 175.888 175.888 177.511 -1.623 18018 9535 1 19 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.759 -0.352 18018 9536 1 19 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.157 -2.222 18018 9537 1 19 . 1 1 30 30 ASN H H 30 8.402 8.402 7.877 0.525 18018 9538 1 19 . 1 1 31 31 ARG N N 31 123.400 123.400 121.148 2.252 18018 9539 1 19 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.084 0.198 18018 9540 1 19 . 1 1 31 31 ARG C C 31 177.804 177.804 178.671 -0.867 18018 9541 1 19 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.061 -0.111 18018 9542 1 19 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.571 -0.450 18018 9543 1 19 . 1 1 31 31 ARG H H 31 7.996 7.996 7.684 0.312 18018 9544 1 19 . 1 1 32 32 LEU N N 32 119.872 119.872 120.587 -0.715 18018 9545 1 19 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.044 0.247 18018 9546 1 19 . 1 1 32 32 LEU C C 32 180.602 180.602 179.230 1.372 18018 9547 1 19 . 1 1 32 32 LEU CA C 32 57.246 57.246 58.191 -0.945 18018 9548 1 19 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.506 -0.336 18018 9549 1 19 . 1 1 32 32 LEU H H 32 8.742 8.742 7.896 0.846 18018 9550 1 19 . 1 1 33 33 LEU N N 33 124.468 124.468 117.846 6.622 18018 9551 1 19 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.226 0.075 18018 9552 1 19 . 1 1 33 33 LEU C C 33 177.992 177.992 179.125 -1.133 18018 9553 1 19 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.484 -0.469 18018 9554 1 19 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.979 0.260 18018 9555 1 19 . 1 1 33 33 LEU H H 33 9.249 9.249 7.758 1.491 18018 9556 1 19 . 1 1 34 34 GLY N N 34 109.045 109.045 108.011 1.034 18018 9557 1 19 . 1 1 34 34 GLY C C 34 174.530 174.530 176.159 -1.629 18018 9558 1 19 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.605 -0.158 18018 9559 1 19 . 1 1 34 34 GLY H H 34 8.873 8.873 8.486 0.387 18018 9560 1 19 . 1 1 35 35 GLU N N 35 123.414 123.414 120.036 3.378 18018 9561 1 19 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.282 -0.105 18018 9562 1 19 . 1 1 35 35 GLU C C 35 178.866 178.866 178.256 0.610 18018 9563 1 19 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.688 0.342 18018 9564 1 19 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.401 -0.438 18018 9565 1 19 . 1 1 35 35 GLU H H 35 8.920 8.920 8.383 0.537 18018 9566 1 19 . 1 1 36 36 TRP N N 36 124.774 124.774 121.763 3.011 18018 9567 1 19 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.551 0.032 18018 9568 1 19 . 1 1 36 36 TRP C C 36 177.618 177.618 177.171 0.447 18018 9569 1 19 . 1 1 36 36 TRP CA C 36 59.618 59.618 59.689 -0.071 18018 9570 1 19 . 1 1 36 36 TRP CB C 36 26.594 26.594 30.203 -3.609 18018 9571 1 19 . 1 1 36 36 TRP H H 36 8.510 8.510 7.603 0.907 18018 9572 1 19 . 1 1 37 37 ALA N N 37 123.777 123.777 121.542 2.235 18018 9573 1 19 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.098 0.279 18018 9574 1 19 . 1 1 37 37 ALA C C 37 177.427 177.427 178.986 -1.559 18018 9575 1 19 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.419 -0.570 18018 9576 1 19 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.642 1.403 18018 9577 1 19 . 1 1 37 37 ALA H H 37 9.122 9.122 8.513 0.609 18018 9578 1 19 . 1 1 38 38 ALA N N 38 119.259 119.259 121.044 -1.785 18018 9579 1 19 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.211 0.283 18018 9580 1 19 . 1 1 38 38 ALA C C 38 178.670 178.670 179.205 -0.535 18018 9581 1 19 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.919 -0.476 18018 9582 1 19 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.170 -0.481 18018 9583 1 19 . 1 1 38 38 ALA H H 38 8.772 8.772 8.330 0.442 18018 9584 1 19 . 1 1 39 39 GLY N N 39 104.027 104.027 104.160 -0.133 18018 9585 1 19 . 1 1 39 39 GLY C C 39 177.232 177.232 176.148 1.084 18018 9586 1 19 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.163 0.259 18018 9587 1 19 . 1 1 39 39 GLY H H 39 7.733 7.733 7.859 -0.126 18018 9588 1 19 . 1 1 40 40 LEU N N 40 125.448 125.448 121.152 4.296 18018 9589 1 19 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.012 0.073 18018 9590 1 19 . 1 1 40 40 LEU C C 40 178.203 178.203 177.539 0.664 18018 9591 1 19 . 1 1 40 40 LEU CA C 40 56.718 56.718 56.291 0.427 18018 9592 1 19 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.858 -0.519 18018 9593 1 19 . 1 1 40 40 LEU H H 40 7.492 7.492 7.232 0.260 18018 9594 1 19 . 1 1 41 41 LEU N N 41 117.234 117.234 114.325 2.909 18018 9595 1 19 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.939 0.168 18018 9596 1 19 . 1 1 41 41 LEU C C 41 176.119 176.119 178.037 -1.918 18018 9597 1 19 . 1 1 41 41 LEU CA C 41 53.882 53.882 55.923 -2.042 18018 9598 1 19 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.710 -0.057 18018 9599 1 19 . 1 1 41 41 LEU H H 41 7.676 7.676 7.502 0.174 18018 9600 1 19 . 1 1 42 42 GLY N N 42 109.595 109.595 103.650 5.945 18018 9601 1 19 . 1 1 42 42 GLY C C 42 173.775 173.775 174.453 -0.678 18018 9602 1 19 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.397 0.851 18018 9603 1 19 . 1 1 42 42 GLY H H 42 7.869 7.869 7.806 0.063 18018 9604 1 19 . 1 1 43 43 LYS N N 43 119.965 119.965 120.517 -0.552 18018 9605 1 19 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.436 0.276 18018 9606 1 19 . 1 1 43 43 LYS C C 43 175.246 175.246 175.742 -0.496 18018 9607 1 19 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.199 -0.429 18018 9608 1 19 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.022 0.749 18018 9609 1 19 . 1 1 43 43 LYS H H 43 8.079 8.079 8.113 -0.034 18018 9610 1 19 . 1 1 44 44 THR N N 44 114.199 114.199 109.488 4.711 18018 9611 1 19 . 1 1 44 44 THR HA H 44 4.749 4.749 4.478 0.271 18018 9612 1 19 . 1 1 44 44 THR C C 44 174.392 174.392 174.207 0.185 18018 9613 1 19 . 1 1 44 44 THR CA C 44 58.992 58.992 60.535 -1.543 18018 9614 1 19 . 1 1 44 44 THR CB C 44 71.762 71.762 71.621 0.141 18018 9615 1 19 . 1 1 44 44 THR H H 44 8.934 8.934 8.065 0.870 18018 9616 1 19 . 1 1 45 45 GLY N N 45 109.657 109.657 112.832 -3.175 18018 9617 1 19 . 1 1 45 45 GLY C C 45 175.330 175.330 174.956 0.374 18018 9618 1 19 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.444 -0.299 18018 9619 1 19 . 1 1 45 45 GLY H H 45 8.862 8.862 8.567 0.295 18018 9620 1 19 . 1 1 46 46 ASP N N 46 128.403 128.403 123.527 4.876 18018 9621 1 19 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.498 0.035 18018 9622 1 19 . 1 1 46 46 ASP C C 46 177.343 177.343 177.678 -0.335 18018 9623 1 19 . 1 1 46 46 ASP CA C 46 56.485 56.485 56.126 0.359 18018 9624 1 19 . 1 1 46 46 ASP CB C 46 39.878 39.878 40.421 -0.543 18018 9625 1 19 . 1 1 46 46 ASP H H 46 9.283 9.283 8.595 0.688 18018 9626 1 19 . 1 1 47 47 ASP N N 47 121.367 121.367 121.476 -0.109 18018 9627 1 19 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.435 0.201 18018 9628 1 19 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.183 -1.043 18018 9629 1 19 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.425 -0.449 18018 9630 1 19 . 1 1 47 47 ASP H H 47 8.488 8.488 8.103 0.385 18018 9631 1 19 . 1 1 48 48 ALA N N 48 123.210 123.210 122.304 0.906 18018 9632 1 19 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.062 -0.145 18018 9633 1 19 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.933 -0.886 18018 9634 1 19 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.804 -2.162 18018 9635 1 19 . 1 1 48 48 ALA H H 48 7.235 7.235 7.295 -0.060 18018 9636 1 19 . 1 1 49 49 ARG N N 49 120.088 120.088 119.605 0.483 18018 9637 1 19 . 1 1 49 49 ARG HA H 49 4.108 4.108 3.995 0.113 18018 9638 1 19 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.358 -0.659 18018 9639 1 19 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.369 -0.804 18018 9640 1 19 . 1 1 49 49 ARG H H 49 7.777 7.777 7.919 -0.142 18018 9641 1 19 . 1 1 50 50 ALA N N 50 120.988 120.988 120.888 0.100 18018 9642 1 19 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.120 0.071 18018 9643 1 19 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.726 -0.643 18018 9644 1 19 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.409 -1.130 18018 9645 1 19 . 1 1 50 50 ALA H H 50 8.350 8.350 8.337 0.013 18018 9646 1 19 . 1 1 51 51 TYR N N 51 119.264 119.264 120.569 -1.305 18018 9647 1 19 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.100 0.101 18018 9648 1 19 . 1 1 51 51 TYR C C 51 178.335 178.335 176.670 1.665 18018 9649 1 19 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.303 -0.216 18018 9650 1 19 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.558 -0.718 18018 9651 1 19 . 1 1 51 51 TYR H H 51 8.054 8.054 7.807 0.247 18018 9652 1 19 . 1 1 52 52 ALA N N 52 124.002 124.002 118.646 5.356 18018 9653 1 19 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.227 -0.360 18018 9654 1 19 . 1 1 52 52 ALA C C 52 178.352 178.352 176.625 1.727 18018 9655 1 19 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.314 1.756 18018 9656 1 19 . 1 1 52 52 ALA CB C 52 16.835 16.835 19.150 -2.315 18018 9657 1 19 . 1 1 52 52 ALA H H 52 8.611 8.611 7.717 0.894 18018 9658 1 19 . 1 1 53 53 LEU N N 53 116.323 116.323 116.828 -0.505 18018 9659 1 19 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.545 -0.261 18018 9660 1 19 . 1 1 53 53 LEU C C 53 177.452 177.452 176.261 1.191 18018 9661 1 19 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.545 1.317 18018 9662 1 19 . 1 1 53 53 LEU CB C 53 41.275 41.275 40.842 0.433 18018 9663 1 19 . 1 1 53 53 LEU H H 53 7.591 7.591 7.185 0.406 18018 9664 1 19 . 1 1 54 54 THR N N 54 110.782 110.782 114.731 -3.949 18018 9665 1 19 . 1 1 54 54 THR HA H 54 4.392 4.392 4.406 -0.014 18018 9666 1 19 . 1 1 54 54 THR CA C 54 62.390 62.390 62.805 -0.415 18018 9667 1 19 . 1 1 54 54 THR H H 54 7.947 7.947 7.663 0.284 18018 9668 1 19 . 1 1 55 55 VAL N N 55 123.763 123.763 123.095 0.668 18018 9669 1 19 . 1 1 55 55 VAL HA H 55 3.882 3.882 3.865 0.017 18018 9670 1 19 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.734 -0.990 18018 9671 1 19 . 1 1 55 55 VAL CB C 55 29.871 29.871 32.246 -2.375 18018 9672 1 19 . 1 1 55 55 VAL H H 55 7.171 7.171 7.914 -0.743 18018 9673 1 19 . 1 1 56 56 VAL N N 56 118.917 118.917 117.310 1.607 18018 9674 1 19 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.047 0.343 18018 9675 1 19 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.677 -1.897 18018 9676 1 19 . 1 1 56 56 VAL CB C 56 33.490 33.490 28.747 4.742 18018 9677 1 19 . 1 1 56 56 VAL H H 56 7.409 7.409 7.909 -0.500 18018 9678 1 19 . 1 1 57 57 THR N N 57 115.599 115.599 115.249 0.350 18018 9679 1 19 . 1 1 57 57 THR HA H 57 4.532 4.532 4.337 0.195 18018 9680 1 19 . 1 1 57 57 THR CA C 57 60.614 60.614 62.802 -2.188 18018 9681 1 19 . 1 1 57 57 THR CB C 57 68.892 68.892 70.293 -1.401 18018 9682 1 19 . 1 1 57 57 THR H H 57 7.916 7.916 8.429 -0.513 18018 9683 1 19 . 1 1 58 58 SER N N 58 120.007 120.007 117.995 2.012 18018 9684 1 19 . 1 1 58 58 SER HA H 58 4.547 4.547 4.174 0.373 18018 9685 1 19 . 1 1 58 58 SER CA C 58 57.770 57.770 60.420 -2.651 18018 9686 1 19 . 1 1 58 58 SER CB C 58 63.162 63.162 62.423 0.739 18018 9687 1 19 . 1 1 58 58 SER H H 58 8.580 8.580 7.836 0.744 18018 9688 1 19 . 1 1 59 59 ASP N N 59 122.731 122.731 121.064 1.667 18018 9689 1 19 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.623 0.067 18018 9690 1 19 . 1 1 59 59 ASP CA C 59 53.456 53.456 55.956 -2.501 18018 9691 1 19 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.256 -0.508 18018 9692 1 19 . 1 1 59 59 ASP H H 59 8.399 8.399 8.554 -0.155 18018 9693 1 19 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.640 -0.472 18018 9694 1 19 . 1 1 60 60 PHE CA C 60 60.054 60.054 57.601 2.453 18018 9695 1 19 . 1 1 60 60 PHE CB C 60 35.813 35.813 40.187 -4.374 18018 9696 1 19 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.559 0.037 18018 9697 1 19 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.224 -0.276 18018 9698 1 19 . 1 1 63 63 PRO CB C 63 31.527 31.527 32.583 -1.056 18018 9699 1 19 . 1 1 64 64 GLY N N 64 110.688 110.688 108.094 2.594 18018 9700 1 19 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.438 0.232 18018 9701 1 19 . 1 1 64 64 GLY H H 64 8.725 8.725 7.711 1.014 18018 9702 1 19 . 1 1 65 65 ASP N N 65 122.028 122.028 119.987 2.041 18018 9703 1 19 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.467 0.196 18018 9704 1 19 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.358 -0.593 18018 9705 1 19 . 1 1 65 65 ASP CB C 65 40.462 40.462 41.085 -0.623 18018 9706 1 19 . 1 1 65 65 ASP H H 65 8.649 8.649 8.739 -0.089 18018 9707 1 19 . 1 1 67 67 ASP N N 67 120.095 120.095 120.654 -0.559 18018 9708 1 19 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.677 -0.096 18018 9709 1 19 . 1 1 67 67 ASP CA C 67 56.553 56.553 55.999 0.554 18018 9710 1 19 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.878 -1.007 18018 9711 1 19 . 1 1 67 67 ASP H H 67 8.181 8.181 8.426 -0.245 18018 9712 1 19 . 1 1 68 68 VAL N N 68 123.206 123.206 120.488 2.718 18018 9713 1 19 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.650 0.167 18018 9714 1 19 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.164 0.551 18018 9715 1 19 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.822 -0.397 18018 9716 1 19 . 1 1 68 68 VAL H H 68 8.014 8.014 7.756 0.258 18018 9717 1 19 . 1 1 69 69 PHE N N 69 120.318 120.318 120.117 0.201 18018 9718 1 19 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.139 -0.017 18018 9719 1 19 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.440 0.302 18018 9720 1 19 . 1 1 69 69 PHE CB C 69 38.241 38.241 39.029 -0.788 18018 9721 1 19 . 1 1 69 69 PHE H H 69 8.501 8.501 7.546 0.955 18018 9722 1 19 . 1 1 70 70 ARG N N 70 117.820 117.820 118.625 -0.805 18018 9723 1 19 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.795 -0.083 18018 9724 1 19 . 1 1 70 70 ARG C C 70 178.813 178.813 178.318 0.495 18018 9725 1 19 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.242 -0.396 18018 9726 1 19 . 1 1 70 70 ARG CB C 70 29.782 29.782 30.029 -0.247 18018 9727 1 19 . 1 1 70 70 ARG H H 70 8.598 8.598 8.259 0.339 18018 9728 1 19 . 1 1 71 71 LYS N N 71 121.726 121.726 118.448 3.278 18018 9729 1 19 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.100 0.123 18018 9730 1 19 . 1 1 71 71 LYS C C 71 177.020 177.020 177.564 -0.544 18018 9731 1 19 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.609 -0.119 18018 9732 1 19 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.332 -0.446 18018 9733 1 19 . 1 1 71 71 LYS H H 71 7.658 7.658 7.390 0.268 18018 9734 1 19 . 1 1 72 72 LEU N N 72 119.355 119.355 119.604 -0.249 18018 9735 1 19 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.197 -0.172 18018 9736 1 19 . 1 1 72 72 LEU C C 72 177.378 177.378 178.268 -0.890 18018 9737 1 19 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.313 -0.327 18018 9738 1 19 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.941 -0.094 18018 9739 1 19 . 1 1 72 72 LEU H H 72 8.173 8.173 7.481 0.692 18018 9740 1 19 . 1 1 73 73 ALA N N 73 121.169 121.169 120.665 0.504 18018 9741 1 19 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.879 -0.147 18018 9742 1 19 . 1 1 73 73 ALA C C 73 179.644 179.644 178.280 1.364 18018 9743 1 19 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.329 -0.505 18018 9744 1 19 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.062 -1.526 18018 9745 1 19 . 1 1 73 73 ALA H H 73 9.151 9.151 8.200 0.951 18018 9746 1 19 . 1 1 74 74 ALA N N 74 119.383 119.383 117.712 1.671 18018 9747 1 19 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.165 0.198 18018 9748 1 19 . 1 1 74 74 ALA C C 74 179.752 179.752 178.204 1.548 18018 9749 1 19 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.646 -0.122 18018 9750 1 19 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.630 -0.986 18018 9751 1 19 . 1 1 74 74 ALA H H 74 7.379 7.379 7.551 -0.172 18018 9752 1 19 . 1 1 75 75 ASP N N 75 120.226 120.226 119.665 0.561 18018 9753 1 19 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.644 -0.149 18018 9754 1 19 . 1 1 75 75 ASP C C 75 177.704 177.704 177.993 -0.289 18018 9755 1 19 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.008 -0.021 18018 9756 1 19 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.665 -2.721 18018 9757 1 19 . 1 1 75 75 ASP H H 75 8.474 8.474 7.828 0.646 18018 9758 1 19 . 1 1 76 76 LEU N N 76 115.468 115.468 119.757 -4.289 18018 9759 1 19 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.373 0.019 18018 9760 1 19 . 1 1 76 76 LEU C C 76 174.790 174.790 175.766 -0.976 18018 9761 1 19 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.814 -0.190 18018 9762 1 19 . 1 1 76 76 LEU CB C 76 40.199 40.199 39.111 1.089 18018 9763 1 19 . 1 1 76 76 LEU H H 76 8.599 8.599 8.206 0.393 18018 9764 1 19 . 1 1 77 77 GLU N N 77 124.833 124.833 122.110 2.723 18018 9765 1 19 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.015 0.325 18018 9766 1 19 . 1 1 77 77 GLU C C 77 176.953 176.953 177.600 -0.647 18018 9767 1 19 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.867 0.444 18018 9768 1 19 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.396 -0.781 18018 9769 1 19 . 1 1 77 77 GLU H H 77 7.115 7.115 7.136 -0.021 18018 9770 1 19 . 1 1 78 78 GLY N N 78 118.193 118.193 112.826 5.367 18018 9771 1 19 . 1 1 78 78 GLY C C 78 173.075 173.075 174.481 -1.406 18018 9772 1 19 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.955 -0.849 18018 9773 1 19 . 1 1 78 78 GLY H H 78 9.371 9.371 8.745 0.626 18018 9774 1 19 . 1 1 79 79 LYS N N 79 120.237 120.237 119.492 0.745 18018 9775 1 19 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.457 0.174 18018 9776 1 19 . 1 1 79 79 LYS C C 79 175.050 175.050 175.457 -0.407 18018 9777 1 19 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.125 -0.900 18018 9778 1 19 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.697 -0.635 18018 9779 1 19 . 1 1 79 79 LYS H H 79 8.799 8.799 8.328 0.471 18018 9780 1 19 . 1 1 80 80 ALA N N 80 121.135 121.135 124.495 -3.360 18018 9781 1 19 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.712 0.152 18018 9782 1 19 . 1 1 80 80 ALA C C 80 174.051 174.051 174.632 -0.581 18018 9783 1 19 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.645 -0.774 18018 9784 1 19 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.970 0.157 18018 9785 1 19 . 1 1 80 80 ALA H H 80 8.126 8.126 7.952 0.174 18018 9786 1 19 . 1 1 81 81 ASP N N 81 121.569 121.569 123.578 -2.009 18018 9787 1 19 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.785 0.083 18018 9788 1 19 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.439 -2.470 18018 9789 1 19 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.422 -1.136 18018 9790 1 19 . 1 1 81 81 ASP H H 81 8.283 8.283 8.540 -0.257 18018 9791 1 19 . 1 1 82 82 GLU N N 82 120.044 120.044 121.689 -1.645 18018 9792 1 19 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.285 -0.119 18018 9793 1 19 . 1 1 82 82 GLU C C 82 177.350 177.350 178.740 -1.390 18018 9794 1 19 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.636 -0.418 18018 9795 1 19 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.747 -1.123 18018 9796 1 19 . 1 1 82 82 GLU H H 82 8.891 8.891 8.887 0.004 18018 9797 1 19 . 1 1 83 83 GLU N N 83 119.348 119.348 117.080 2.268 18018 9798 1 19 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.154 -0.007 18018 9799 1 19 . 1 1 83 83 GLU C C 83 178.794 178.794 177.982 0.812 18018 9800 1 19 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.825 0.257 18018 9801 1 19 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.619 -1.244 18018 9802 1 19 . 1 1 83 83 GLU H H 83 8.827 8.827 8.628 0.199 18018 9803 1 19 . 1 1 84 84 THR N N 84 119.678 119.678 112.957 6.721 18018 9804 1 19 . 1 1 84 84 THR HA H 84 4.131 4.131 4.447 -0.316 18018 9805 1 19 . 1 1 84 84 THR C C 84 176.165 176.165 176.100 0.065 18018 9806 1 19 . 1 1 84 84 THR CA C 84 66.422 66.422 63.512 2.910 18018 9807 1 19 . 1 1 84 84 THR CB C 84 65.645 65.645 70.221 -4.576 18018 9808 1 19 . 1 1 84 84 THR H H 84 8.552 8.552 7.859 0.693 18018 9809 1 19 . 1 1 85 85 ILE N N 85 123.677 123.677 124.677 -1.000 18018 9810 1 19 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.796 0.023 18018 9811 1 19 . 1 1 85 85 ILE C C 85 174.809 174.809 177.504 -2.695 18018 9812 1 19 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.647 -1.064 18018 9813 1 19 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.959 0.532 18018 9814 1 19 . 1 1 85 85 ILE H H 85 8.571 8.571 8.891 -0.320 18018 9815 1 19 . 1 1 86 86 ARG N N 86 119.556 119.556 118.933 0.623 18018 9816 1 19 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.052 0.119 18018 9817 1 19 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.627 -0.008 18018 9818 1 19 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.891 -1.033 18018 9819 1 19 . 1 1 86 86 ARG H H 86 9.093 9.093 8.442 0.651 18018 9820 1 19 . 1 1 87 87 ALA N N 87 121.431 121.431 122.543 -1.112 18018 9821 1 19 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.016 0.272 18018 9822 1 19 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.318 -1.163 18018 9823 1 19 . 1 1 87 87 ALA CB C 87 17.072 17.072 17.923 -0.851 18018 9824 1 19 . 1 1 87 87 ALA H H 87 8.206 8.206 7.779 0.427 18018 9825 1 19 . 1 1 88 88 LYS N N 88 122.850 122.850 118.614 4.236 18018 9826 1 19 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.743 0.239 18018 9827 1 19 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.995 -3.122 18018 9828 1 19 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.795 -1.972 18018 9829 1 19 . 1 1 88 88 LYS H H 88 8.145 8.145 8.025 0.120 18018 9830 1 19 . 1 1 89 89 MET N N 89 118.786 118.786 119.025 -0.239 18018 9831 1 19 . 1 1 89 89 MET HA H 89 3.810 3.810 4.146 -0.336 18018 9832 1 19 . 1 1 89 89 MET CA C 89 60.096 60.096 58.166 1.930 18018 9833 1 19 . 1 1 89 89 MET CB C 89 32.329 32.329 32.251 0.078 18018 9834 1 19 . 1 1 89 89 MET H H 89 8.468 8.468 8.247 0.221 18018 9835 1 19 . 1 1 90 90 VAL N N 90 120.770 120.770 118.482 2.288 18018 9836 1 19 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.750 0.077 18018 9837 1 19 . 1 1 90 90 VAL C C 90 178.017 178.017 178.587 -0.570 18018 9838 1 19 . 1 1 90 90 VAL CA C 90 65.625 65.625 65.954 -0.329 18018 9839 1 19 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.007 0.732 18018 9840 1 19 . 1 1 90 90 VAL H H 90 7.504 7.504 8.188 -0.684 18018 9841 1 19 . 1 1 91 91 GLU N N 91 124.409 124.409 119.135 5.274 18018 9842 1 19 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.102 -0.314 18018 9843 1 19 . 1 1 91 91 GLU C C 91 177.612 177.612 177.832 -0.220 18018 9844 1 19 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.924 -0.510 18018 9845 1 19 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.166 2.278 18018 9846 1 19 . 1 1 91 91 GLU H H 91 8.486 8.486 8.429 0.057 18018 9847 1 19 . 1 1 92 92 LEU N N 92 114.680 114.680 117.359 -2.679 18018 9848 1 19 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.578 -0.188 18018 9849 1 19 . 1 1 92 92 LEU C C 92 177.928 177.928 176.644 1.284 18018 9850 1 19 . 1 1 92 92 LEU CA C 92 55.634 55.634 54.103 1.531 18018 9851 1 19 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.494 -1.153 18018 9852 1 19 . 1 1 92 92 LEU H H 92 8.823 8.823 7.751 1.072 18018 9853 1 19 . 1 1 93 93 ARG N N 93 123.603 123.603 120.988 2.615 18018 9854 1 19 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.396 -0.453 18018 9855 1 19 . 1 1 93 93 ARG C C 93 176.350 176.350 177.867 -1.517 18018 9856 1 19 . 1 1 93 93 ARG CA C 93 59.581 59.581 56.949 2.632 18018 9857 1 19 . 1 1 93 93 ARG CB C 93 28.903 28.903 30.067 -1.164 18018 9858 1 19 . 1 1 93 93 ARG H H 93 7.690 7.690 8.064 -0.374 18018 9859 1 19 . 1 1 94 94 ALA N N 94 122.480 122.480 121.464 1.016 18018 9860 1 19 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.063 0.198 18018 9861 1 19 . 1 1 94 94 ALA C C 94 179.805 179.805 179.652 0.153 18018 9862 1 19 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.292 -0.763 18018 9863 1 19 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.017 -1.081 18018 9864 1 19 . 1 1 94 94 ALA H H 94 7.269 7.269 8.205 -0.936 18018 9865 1 19 . 1 1 95 95 THR N N 95 116.936 116.936 113.424 3.512 18018 9866 1 19 . 1 1 95 95 THR HA H 95 4.045 4.045 4.027 0.018 18018 9867 1 19 . 1 1 95 95 THR C C 95 175.007 175.007 176.077 -1.070 18018 9868 1 19 . 1 1 95 95 THR CA C 95 65.569 65.569 66.529 -0.960 18018 9869 1 19 . 1 1 95 95 THR CB C 95 68.334 68.334 68.521 -0.187 18018 9870 1 19 . 1 1 95 95 THR H H 95 8.282 8.282 8.375 -0.093 18018 9871 1 19 . 1 1 96 96 ALA N N 96 124.095 124.095 124.162 -0.067 18018 9872 1 19 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.038 -0.176 18018 9873 1 19 . 1 1 96 96 ALA C C 96 178.184 178.184 179.501 -1.317 18018 9874 1 19 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.496 0.253 18018 9875 1 19 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.076 0.694 18018 9876 1 19 . 1 1 96 96 ALA H H 96 8.681 8.681 7.584 1.097 18018 9877 1 19 . 1 1 97 97 ARG N N 97 117.328 117.328 118.672 -1.344 18018 9878 1 19 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.042 -0.256 18018 9879 1 19 . 1 1 97 97 ARG C C 97 176.770 176.770 178.983 -2.213 18018 9880 1 19 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.286 0.275 18018 9881 1 19 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.217 -0.601 18018 9882 1 19 . 1 1 97 97 ARG H H 97 8.070 8.070 7.835 0.235 18018 9883 1 19 . 1 1 98 98 GLU N N 98 118.245 118.245 119.869 -1.624 18018 9884 1 19 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.114 0.001 18018 9885 1 19 . 1 1 98 98 GLU C C 98 178.865 178.865 178.874 -0.009 18018 9886 1 19 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.561 -0.072 18018 9887 1 19 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.127 -0.615 18018 9888 1 19 . 1 1 98 98 GLU H H 98 7.855 7.855 7.809 0.046 18018 9889 1 19 . 1 1 99 99 GLN N N 99 119.735 119.735 117.753 1.982 18018 9890 1 19 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.045 0.126 18018 9891 1 19 . 1 1 99 99 GLN C C 99 178.146 178.146 177.387 0.759 18018 9892 1 19 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.148 0.097 18018 9893 1 19 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.566 -1.472 18018 9894 1 19 . 1 1 99 99 GLN H H 99 8.312 8.312 8.250 0.062 18018 9895 1 19 . 1 1 100 100 ILE N N 100 119.864 119.864 118.279 1.585 18018 9896 1 19 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.794 0.156 18018 9897 1 19 . 1 1 100 100 ILE C C 100 178.315 178.315 178.204 0.111 18018 9898 1 19 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.214 -1.610 18018 9899 1 19 . 1 1 100 100 ILE CB C 100 35.496 35.496 37.499 -2.003 18018 9900 1 19 . 1 1 100 100 ILE H H 100 8.445 8.445 7.632 0.813 18018 9901 1 19 . 1 1 101 101 ILE N N 101 120.514 120.514 119.048 1.466 18018 9902 1 19 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.709 0.303 18018 9903 1 19 . 1 1 101 101 ILE C C 101 177.006 177.006 178.262 -1.256 18018 9904 1 19 . 1 1 101 101 ILE CA C 101 62.977 62.977 62.445 0.532 18018 9905 1 19 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.335 0.326 18018 9906 1 19 . 1 1 101 101 ILE H H 101 8.329 8.329 7.754 0.575 18018 9907 1 19 . 1 1 102 102 SER N N 102 116.172 116.172 112.962 3.210 18018 9908 1 19 . 1 1 102 102 SER HA H 102 4.562 4.562 4.222 0.340 18018 9909 1 19 . 1 1 102 102 SER C C 102 173.845 173.845 174.365 -0.520 18018 9910 1 19 . 1 1 102 102 SER CA C 102 59.502 59.502 59.315 0.187 18018 9911 1 19 . 1 1 102 102 SER CB C 102 63.012 63.012 62.774 0.238 18018 9912 1 19 . 1 1 102 102 SER H H 102 7.882 7.882 7.556 0.326 18018 9913 1 19 . 1 1 103 103 GLU N N 103 122.642 122.642 119.545 3.097 18018 9914 1 19 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.424 0.016 18018 9915 1 19 . 1 1 103 103 GLU C C 103 175.095 175.095 177.049 -1.954 18018 9916 1 19 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.229 -0.601 18018 9917 1 19 . 1 1 103 103 GLU CB C 103 29.813 29.813 31.381 -1.568 18018 9918 1 19 . 1 1 103 103 GLU H H 103 7.735 7.735 7.733 0.002 18018 9919 1 20 . 1 1 4 4 PHE N N 4 122.548 122.548 118.936 3.612 18018 9920 1 20 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.205 0.478 18018 9921 1 20 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.618 -1.011 18018 9922 1 20 . 1 1 4 4 PHE CB C 4 38.895 38.895 38.361 0.534 18018 9923 1 20 . 1 1 4 4 PHE H H 4 8.328 8.328 7.965 0.363 18018 9924 1 20 . 1 1 7 7 ARG N N 7 121.962 121.962 116.939 5.023 18018 9925 1 20 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.508 -0.252 18018 9926 1 20 . 1 1 7 7 ARG C C 7 176.683 176.683 174.589 2.094 18018 9927 1 20 . 1 1 7 7 ARG CA C 7 57.087 57.087 55.136 1.952 18018 9928 1 20 . 1 1 7 7 ARG CB C 7 29.362 29.362 32.603 -3.241 18018 9929 1 20 . 1 1 7 7 ARG H H 7 8.321 8.321 7.612 0.709 18018 9930 1 20 . 1 1 8 8 GLU N N 8 121.095 121.095 119.517 1.578 18018 9931 1 20 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.085 0.166 18018 9932 1 20 . 1 1 8 8 GLU C C 8 176.964 176.964 175.328 1.636 18018 9933 1 20 . 1 1 8 8 GLU CA C 8 56.933 56.933 56.923 0.010 18018 9934 1 20 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.395 -0.540 18018 9935 1 20 . 1 1 8 8 GLU H H 8 8.388 8.388 8.783 -0.395 18018 9936 1 20 . 1 1 9 9 ARG N N 9 121.310 121.310 119.064 2.246 18018 9937 1 20 . 1 1 9 9 ARG HA H 9 4.340 4.340 3.908 0.432 18018 9938 1 20 . 1 1 9 9 ARG C C 9 176.563 176.563 174.731 1.832 18018 9939 1 20 . 1 1 9 9 ARG CA C 9 56.413 56.413 57.560 -1.147 18018 9940 1 20 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.776 0.893 18018 9941 1 20 . 1 1 9 9 ARG H H 9 8.268 8.268 8.589 -0.321 18018 9942 1 20 . 1 1 10 10 ALA N N 10 124.224 124.224 116.640 7.584 18018 9943 1 20 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.132 0.186 18018 9944 1 20 . 1 1 10 10 ALA C C 10 178.129 178.129 175.638 2.491 18018 9945 1 20 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.763 0.184 18018 9946 1 20 . 1 1 10 10 ALA CB C 10 17.756 17.756 20.427 -2.671 18018 9947 1 20 . 1 1 10 10 ALA H H 10 8.222 8.222 8.033 0.189 18018 9948 1 20 . 1 1 11 11 HIS N N 11 118.081 118.081 115.414 2.667 18018 9949 1 20 . 1 1 11 11 HIS HA H 11 4.699 4.699 5.025 -0.326 18018 9950 1 20 . 1 1 11 11 HIS C C 11 175.013 175.013 177.765 -2.752 18018 9951 1 20 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.974 -1.719 18018 9952 1 20 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.999 -3.232 18018 9953 1 20 . 1 1 11 11 HIS H H 11 8.486 8.486 8.163 0.323 18018 9954 1 20 . 1 1 12 12 GLU N N 12 121.492 121.492 120.748 0.744 18018 9955 1 20 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.025 0.253 18018 9956 1 20 . 1 1 12 12 GLU C C 12 176.808 176.808 178.287 -1.479 18018 9957 1 20 . 1 1 12 12 GLU CA C 12 57.621 57.621 60.321 -2.700 18018 9958 1 20 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.327 -0.474 18018 9959 1 20 . 1 1 12 12 GLU H H 12 8.370 8.370 8.963 -0.593 18018 9960 1 20 . 1 1 13 13 ALA N N 13 123.583 123.583 120.801 2.782 18018 9961 1 20 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.151 0.153 18018 9962 1 20 . 1 1 13 13 ALA C C 13 178.197 178.197 179.561 -1.364 18018 9963 1 20 . 1 1 13 13 ALA CA C 13 54.051 54.051 54.720 -0.669 18018 9964 1 20 . 1 1 13 13 ALA CB C 13 17.788 17.788 18.327 -0.539 18018 9965 1 20 . 1 1 13 13 ALA H H 13 8.426 8.426 8.479 -0.053 18018 9966 1 20 . 1 1 14 14 LYS N N 14 119.772 119.772 119.620 0.152 18018 9967 1 20 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.997 0.221 18018 9968 1 20 . 1 1 14 14 LYS C C 14 176.757 176.757 179.248 -2.491 18018 9969 1 20 . 1 1 14 14 LYS CA C 14 57.110 57.110 59.136 -2.026 18018 9970 1 20 . 1 1 14 14 LYS CB C 14 31.743 31.743 32.060 -0.317 18018 9971 1 20 . 1 1 14 14 LYS H H 14 8.073 8.073 7.453 0.620 18018 9972 1 20 . 1 1 15 15 PHE N N 15 118.073 118.073 118.332 -0.259 18018 9973 1 20 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.387 0.057 18018 9974 1 20 . 1 1 15 15 PHE C C 15 175.635 175.635 178.295 -2.660 18018 9975 1 20 . 1 1 15 15 PHE CA C 15 59.001 59.001 61.432 -2.431 18018 9976 1 20 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.777 -0.286 18018 9977 1 20 . 1 1 15 15 PHE H H 15 7.926 7.926 8.520 -0.594 18018 9978 1 20 . 1 1 16 16 ALA N N 16 122.453 122.453 120.798 1.655 18018 9979 1 20 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.047 0.259 18018 9980 1 20 . 1 1 16 16 ALA C C 16 177.641 177.641 178.505 -0.864 18018 9981 1 20 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.479 -1.427 18018 9982 1 20 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.280 -0.259 18018 9983 1 20 . 1 1 16 16 ALA H H 16 8.137 8.137 8.026 0.111 18018 9984 1 20 . 1 1 17 17 HIS N N 17 115.587 115.587 115.736 -0.149 18018 9985 1 20 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.568 0.257 18018 9986 1 20 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.915 -1.820 18018 9987 1 20 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.783 -0.825 18018 9988 1 20 . 1 1 17 17 HIS H H 17 8.051 8.051 7.759 0.292 18018 9989 1 20 . 1 1 18 18 ASP N N 18 121.432 121.432 118.534 2.898 18018 9990 1 20 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.314 0.476 18018 9991 1 20 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.992 -2.410 18018 9992 1 20 . 1 1 18 18 ASP CB C 18 40.787 40.787 39.907 0.880 18018 9993 1 20 . 1 1 18 18 ASP H H 18 7.913 7.913 7.799 0.114 18018 9994 1 20 . 1 1 19 19 ALA N N 19 126.983 126.983 123.112 3.871 18018 9995 1 20 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.814 0.482 18018 9996 1 20 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.688 -0.640 18018 9997 1 20 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.365 0.494 18018 9998 1 20 . 1 1 19 19 ALA H H 19 8.599 8.599 8.573 0.026 18018 9999 1 20 . 1 1 20 20 GLU N N 20 119.997 119.997 120.298 -0.301 18018 10000 1 20 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.129 0.200 18018 10001 1 20 . 1 1 20 20 GLU CA C 20 58.378 58.378 59.196 -0.818 18018 10002 1 20 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.370 -0.493 18018 10003 1 20 . 1 1 20 20 GLU H H 20 8.377 8.377 7.901 0.476 18018 10004 1 20 . 1 1 21 21 LEU N N 21 122.484 122.484 121.209 1.275 18018 10005 1 20 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.293 -0.130 18018 10006 1 20 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.858 -1.733 18018 10007 1 20 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.869 -0.839 18018 10008 1 20 . 1 1 21 21 LEU H H 21 8.117 8.117 7.618 0.499 18018 10009 1 20 . 1 1 22 22 ASN N N 22 117.879 117.879 117.055 0.824 18018 10010 1 20 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.444 0.248 18018 10011 1 20 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.764 -0.426 18018 10012 1 20 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.923 2.215 18018 10013 1 20 . 1 1 22 22 ASN H H 22 8.507 8.507 8.458 0.049 18018 10014 1 20 . 1 1 23 23 PHE N N 23 121.096 121.096 121.730 -0.634 18018 10015 1 20 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.301 0.162 18018 10016 1 20 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.507 -1.268 18018 10017 1 20 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.593 -1.561 18018 10018 1 20 . 1 1 23 23 PHE H H 23 8.465 8.465 8.060 0.405 18018 10019 1 20 . 1 1 24 24 LYS N N 24 120.580 120.580 118.987 1.593 18018 10020 1 20 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.049 0.122 18018 10021 1 20 . 1 1 24 24 LYS C C 24 179.309 179.309 178.666 0.643 18018 10022 1 20 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.421 -0.380 18018 10023 1 20 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.593 -0.206 18018 10024 1 20 . 1 1 24 24 LYS H H 24 8.427 8.427 8.621 -0.194 18018 10025 1 20 . 1 1 25 25 ALA N N 25 123.682 123.682 121.683 1.999 18018 10026 1 20 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.074 0.047 18018 10027 1 20 . 1 1 25 25 ALA C C 25 178.243 178.243 179.405 -1.162 18018 10028 1 20 . 1 1 25 25 ALA CA C 25 54.465 54.465 55.178 -0.713 18018 10029 1 20 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.381 -0.682 18018 10030 1 20 . 1 1 25 25 ALA H H 25 8.768 8.768 8.693 0.075 18018 10031 1 20 . 1 1 26 26 GLU N N 26 122.051 122.051 119.088 2.963 18018 10032 1 20 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.985 0.036 18018 10033 1 20 . 1 1 26 26 GLU C C 26 177.265 177.265 178.190 -0.925 18018 10034 1 20 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.251 -0.790 18018 10035 1 20 . 1 1 26 26 GLU CB C 26 28.762 28.762 28.554 0.208 18018 10036 1 20 . 1 1 26 26 GLU H H 26 8.532 8.532 8.047 0.485 18018 10037 1 20 . 1 1 27 27 ALA N N 27 122.124 122.124 122.684 -0.560 18018 10038 1 20 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.062 0.263 18018 10039 1 20 . 1 1 27 27 ALA C C 27 180.552 180.552 180.183 0.369 18018 10040 1 20 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.374 -0.205 18018 10041 1 20 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.338 -1.229 18018 10042 1 20 . 1 1 27 27 ALA H H 27 8.048 8.048 7.397 0.651 18018 10043 1 20 . 1 1 28 28 ARG N N 28 120.501 120.501 119.360 1.141 18018 10044 1 20 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.093 0.319 18018 10045 1 20 . 1 1 28 28 ARG C C 28 176.309 176.309 178.910 -2.601 18018 10046 1 20 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.539 -2.570 18018 10047 1 20 . 1 1 28 28 ARG CB C 28 26.915 26.915 29.999 -3.084 18018 10048 1 20 . 1 1 28 28 ARG H H 28 8.046 8.046 8.374 -0.328 18018 10049 1 20 . 1 1 29 29 ARG N N 29 122.842 122.842 117.637 5.205 18018 10050 1 20 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.173 -0.475 18018 10051 1 20 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.204 0.212 18018 10052 1 20 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.815 -1.667 18018 10053 1 20 . 1 1 29 29 ARG H H 29 8.908 8.908 8.424 0.484 18018 10054 1 20 . 1 1 30 30 ASN N N 30 120.150 120.150 119.122 1.028 18018 10055 1 20 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.572 0.062 18018 10056 1 20 . 1 1 30 30 ASN C C 30 175.888 175.888 177.597 -1.709 18018 10057 1 20 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.616 -0.209 18018 10058 1 20 . 1 1 30 30 ASN CB C 30 35.935 35.935 38.090 -2.155 18018 10059 1 20 . 1 1 30 30 ASN H H 30 8.402 8.402 7.788 0.614 18018 10060 1 20 . 1 1 31 31 ARG N N 31 123.400 123.400 120.359 3.041 18018 10061 1 20 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.201 0.081 18018 10062 1 20 . 1 1 31 31 ARG C C 31 177.804 177.804 178.201 -0.397 18018 10063 1 20 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.294 -0.344 18018 10064 1 20 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.418 -0.297 18018 10065 1 20 . 1 1 31 31 ARG H H 31 7.996 7.996 7.398 0.598 18018 10066 1 20 . 1 1 32 32 LEU N N 32 119.872 119.872 119.534 0.338 18018 10067 1 20 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.397 -0.106 18018 10068 1 20 . 1 1 32 32 LEU C C 32 180.602 180.602 179.684 0.918 18018 10069 1 20 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.178 0.068 18018 10070 1 20 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.452 -0.282 18018 10071 1 20 . 1 1 32 32 LEU H H 32 8.742 8.742 7.868 0.874 18018 10072 1 20 . 1 1 33 33 LEU N N 33 124.468 124.468 119.535 4.933 18018 10073 1 20 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.236 0.065 18018 10074 1 20 . 1 1 33 33 LEU C C 33 177.992 177.992 178.988 -0.996 18018 10075 1 20 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.741 -0.726 18018 10076 1 20 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.510 0.729 18018 10077 1 20 . 1 1 33 33 LEU H H 33 9.249 9.249 7.515 1.734 18018 10078 1 20 . 1 1 34 34 GLY N N 34 109.045 109.045 106.961 2.084 18018 10079 1 20 . 1 1 34 34 GLY C C 34 174.530 174.530 175.855 -1.325 18018 10080 1 20 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.727 -0.280 18018 10081 1 20 . 1 1 34 34 GLY H H 34 8.873 8.873 8.046 0.827 18018 10082 1 20 . 1 1 35 35 GLU N N 35 123.414 123.414 122.585 0.829 18018 10083 1 20 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.150 0.027 18018 10084 1 20 . 1 1 35 35 GLU C C 35 178.866 178.866 178.664 0.202 18018 10085 1 20 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.086 0.945 18018 10086 1 20 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.187 -0.224 18018 10087 1 20 . 1 1 35 35 GLU H H 35 8.920 8.920 8.188 0.732 18018 10088 1 20 . 1 1 36 36 TRP N N 36 124.774 124.774 123.051 1.723 18018 10089 1 20 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.213 0.370 18018 10090 1 20 . 1 1 36 36 TRP C C 36 177.618 177.618 177.703 -0.085 18018 10091 1 20 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.925 -1.307 18018 10092 1 20 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.362 -2.768 18018 10093 1 20 . 1 1 36 36 TRP H H 36 8.510 8.510 7.755 0.755 18018 10094 1 20 . 1 1 37 37 ALA N N 37 123.777 123.777 120.356 3.421 18018 10095 1 20 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.118 0.259 18018 10096 1 20 . 1 1 37 37 ALA C C 37 177.427 177.427 179.017 -1.590 18018 10097 1 20 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.431 -0.582 18018 10098 1 20 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.655 1.391 18018 10099 1 20 . 1 1 37 37 ALA H H 37 9.122 9.122 8.133 0.989 18018 10100 1 20 . 1 1 38 38 ALA N N 38 119.259 119.259 120.419 -1.160 18018 10101 1 20 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.110 0.384 18018 10102 1 20 . 1 1 38 38 ALA C C 38 178.670 178.670 179.110 -0.440 18018 10103 1 20 . 1 1 38 38 ALA CA C 38 54.443 54.443 55.066 -0.623 18018 10104 1 20 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.000 -0.311 18018 10105 1 20 . 1 1 38 38 ALA H H 38 8.772 8.772 8.259 0.513 18018 10106 1 20 . 1 1 39 39 GLY N N 39 104.027 104.027 105.497 -1.470 18018 10107 1 20 . 1 1 39 39 GLY C C 39 177.232 177.232 176.176 1.056 18018 10108 1 20 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.636 -0.214 18018 10109 1 20 . 1 1 39 39 GLY H H 39 7.733 7.733 7.668 0.065 18018 10110 1 20 . 1 1 40 40 LEU N N 40 125.448 125.448 122.047 3.401 18018 10111 1 20 . 1 1 40 40 LEU HA H 40 4.085 4.085 3.825 0.260 18018 10112 1 20 . 1 1 40 40 LEU C C 40 178.203 178.203 178.549 -0.346 18018 10113 1 20 . 1 1 40 40 LEU CA C 40 56.718 56.718 57.119 -0.401 18018 10114 1 20 . 1 1 40 40 LEU CB C 40 41.339 41.339 41.454 -0.115 18018 10115 1 20 . 1 1 40 40 LEU H H 40 7.492 7.492 7.224 0.268 18018 10116 1 20 . 1 1 41 41 LEU N N 41 117.234 117.234 117.165 0.069 18018 10117 1 20 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.932 0.175 18018 10118 1 20 . 1 1 41 41 LEU C C 41 176.119 176.119 177.899 -1.780 18018 10119 1 20 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.556 -2.674 18018 10120 1 20 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.244 0.409 18018 10121 1 20 . 1 1 41 41 LEU H H 41 7.676 7.676 8.096 -0.420 18018 10122 1 20 . 1 1 42 42 GLY N N 42 109.595 109.595 104.099 5.496 18018 10123 1 20 . 1 1 42 42 GLY C C 42 173.775 173.775 174.635 -0.860 18018 10124 1 20 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.830 0.418 18018 10125 1 20 . 1 1 42 42 GLY H H 42 7.869 7.869 7.538 0.331 18018 10126 1 20 . 1 1 43 43 LYS N N 43 119.965 119.965 120.938 -0.973 18018 10127 1 20 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.596 0.116 18018 10128 1 20 . 1 1 43 43 LYS C C 43 175.246 175.246 175.910 -0.664 18018 10129 1 20 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.233 -0.463 18018 10130 1 20 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.052 0.719 18018 10131 1 20 . 1 1 43 43 LYS H H 43 8.079 8.079 8.305 -0.226 18018 10132 1 20 . 1 1 44 44 THR N N 44 114.199 114.199 110.839 3.360 18018 10133 1 20 . 1 1 44 44 THR HA H 44 4.749 4.749 4.492 0.257 18018 10134 1 20 . 1 1 44 44 THR C C 44 174.392 174.392 174.884 -0.492 18018 10135 1 20 . 1 1 44 44 THR CA C 44 58.992 58.992 60.899 -1.907 18018 10136 1 20 . 1 1 44 44 THR CB C 44 71.762 71.762 71.967 -0.205 18018 10137 1 20 . 1 1 44 44 THR H H 44 8.934 8.934 8.098 0.836 18018 10138 1 20 . 1 1 45 45 GLY N N 45 109.657 109.657 112.876 -3.219 18018 10139 1 20 . 1 1 45 45 GLY C C 45 175.330 175.330 173.566 1.764 18018 10140 1 20 . 1 1 45 45 GLY CA C 45 46.145 46.145 47.144 -0.999 18018 10141 1 20 . 1 1 45 45 GLY H H 45 8.862 8.862 8.761 0.101 18018 10142 1 20 . 1 1 46 46 ASP N N 46 128.403 128.403 122.679 5.724 18018 10143 1 20 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.956 -0.423 18018 10144 1 20 . 1 1 46 46 ASP C C 46 177.343 177.343 177.329 0.014 18018 10145 1 20 . 1 1 46 46 ASP CA C 46 56.485 56.485 54.379 2.106 18018 10146 1 20 . 1 1 46 46 ASP CB C 46 39.878 39.878 42.621 -2.743 18018 10147 1 20 . 1 1 46 46 ASP H H 46 9.283 9.283 8.072 1.211 18018 10148 1 20 . 1 1 47 47 ASP N N 47 121.367 121.367 121.662 -0.295 18018 10149 1 20 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.515 0.121 18018 10150 1 20 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.503 -1.363 18018 10151 1 20 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.826 -0.850 18018 10152 1 20 . 1 1 47 47 ASP H H 47 8.488 8.488 8.082 0.406 18018 10153 1 20 . 1 1 48 48 ALA N N 48 123.210 123.210 120.688 2.522 18018 10154 1 20 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.065 -0.148 18018 10155 1 20 . 1 1 48 48 ALA CA C 48 54.047 54.047 54.856 -0.809 18018 10156 1 20 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.712 -2.070 18018 10157 1 20 . 1 1 48 48 ALA H H 48 7.235 7.235 7.981 -0.746 18018 10158 1 20 . 1 1 49 49 ARG N N 49 120.088 120.088 119.273 0.815 18018 10159 1 20 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.144 -0.036 18018 10160 1 20 . 1 1 49 49 ARG CA C 49 58.700 58.700 58.718 -0.018 18018 10161 1 20 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.399 -0.834 18018 10162 1 20 . 1 1 49 49 ARG H H 49 7.777 7.777 7.607 0.170 18018 10163 1 20 . 1 1 50 50 ALA N N 50 120.988 120.988 122.348 -1.360 18018 10164 1 20 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.066 0.125 18018 10165 1 20 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.980 -0.897 18018 10166 1 20 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.134 -0.855 18018 10167 1 20 . 1 1 50 50 ALA H H 50 8.350 8.350 8.042 0.308 18018 10168 1 20 . 1 1 51 51 TYR N N 51 119.264 119.264 120.143 -0.879 18018 10169 1 20 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.111 0.090 18018 10170 1 20 . 1 1 51 51 TYR C C 51 178.335 178.335 177.591 0.744 18018 10171 1 20 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.188 -0.101 18018 10172 1 20 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.441 -0.601 18018 10173 1 20 . 1 1 51 51 TYR H H 51 8.054 8.054 8.504 -0.450 18018 10174 1 20 . 1 1 52 52 ALA N N 52 124.002 124.002 119.338 4.664 18018 10175 1 20 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.229 -0.362 18018 10176 1 20 . 1 1 52 52 ALA C C 52 178.352 178.352 177.090 1.262 18018 10177 1 20 . 1 1 52 52 ALA CA C 52 55.070 55.070 53.674 1.396 18018 10178 1 20 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.887 -2.052 18018 10179 1 20 . 1 1 52 52 ALA H H 52 8.611 8.611 7.783 0.828 18018 10180 1 20 . 1 1 53 53 LEU N N 53 116.323 116.323 114.378 1.945 18018 10181 1 20 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.553 -0.269 18018 10182 1 20 . 1 1 53 53 LEU C C 53 177.452 177.452 177.310 0.142 18018 10183 1 20 . 1 1 53 53 LEU CA C 53 55.862 55.862 54.941 0.921 18018 10184 1 20 . 1 1 53 53 LEU CB C 53 41.275 41.275 42.115 -0.840 18018 10185 1 20 . 1 1 53 53 LEU H H 53 7.591 7.591 7.526 0.065 18018 10186 1 20 . 1 1 54 54 THR N N 54 110.782 110.782 114.048 -3.266 18018 10187 1 20 . 1 1 54 54 THR HA H 54 4.392 4.392 4.307 0.085 18018 10188 1 20 . 1 1 54 54 THR CA C 54 62.390 62.390 64.449 -2.059 18018 10189 1 20 . 1 1 54 54 THR H H 54 7.947 7.947 7.908 0.039 18018 10190 1 20 . 1 1 55 55 VAL N N 55 123.763 123.763 118.793 4.970 18018 10191 1 20 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.126 -0.244 18018 10192 1 20 . 1 1 55 55 VAL CA C 55 62.744 62.744 63.111 -0.367 18018 10193 1 20 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.783 -1.912 18018 10194 1 20 . 1 1 55 55 VAL H H 55 7.171 7.171 7.976 -0.805 18018 10195 1 20 . 1 1 56 56 VAL N N 56 118.917 118.917 118.940 -0.023 18018 10196 1 20 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.302 0.088 18018 10197 1 20 . 1 1 56 56 VAL CA C 56 60.780 60.780 61.485 -0.705 18018 10198 1 20 . 1 1 56 56 VAL CB C 56 33.490 33.490 30.491 2.999 18018 10199 1 20 . 1 1 56 56 VAL H H 56 7.409 7.409 7.448 -0.039 18018 10200 1 20 . 1 1 57 57 THR N N 57 115.599 115.599 117.696 -2.097 18018 10201 1 20 . 1 1 57 57 THR HA H 57 4.532 4.532 4.410 0.122 18018 10202 1 20 . 1 1 57 57 THR CA C 57 60.614 60.614 62.605 -1.991 18018 10203 1 20 . 1 1 57 57 THR CB C 57 68.892 68.892 70.159 -1.267 18018 10204 1 20 . 1 1 57 57 THR H H 57 7.916 7.916 8.312 -0.396 18018 10205 1 20 . 1 1 58 58 SER N N 58 120.007 120.007 119.403 0.604 18018 10206 1 20 . 1 1 58 58 SER HA H 58 4.547 4.547 4.427 0.120 18018 10207 1 20 . 1 1 58 58 SER CA C 58 57.770 57.770 58.989 -1.219 18018 10208 1 20 . 1 1 58 58 SER CB C 58 63.162 63.162 63.704 -0.542 18018 10209 1 20 . 1 1 58 58 SER H H 58 8.580 8.580 8.335 0.245 18018 10210 1 20 . 1 1 59 59 ASP N N 59 122.731 122.731 127.453 -4.722 18018 10211 1 20 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.536 0.154 18018 10212 1 20 . 1 1 59 59 ASP CA C 59 53.456 53.456 56.054 -2.598 18018 10213 1 20 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.205 -0.457 18018 10214 1 20 . 1 1 59 59 ASP H H 59 8.399 8.399 8.998 -0.599 18018 10215 1 20 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.643 -0.475 18018 10216 1 20 . 1 1 60 60 PHE CA C 60 60.054 60.054 59.083 0.971 18018 10217 1 20 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.976 -4.163 18018 10218 1 20 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.370 0.226 18018 10219 1 20 . 1 1 63 63 PRO CA C 63 62.948 62.948 63.168 -0.220 18018 10220 1 20 . 1 1 63 63 PRO CB C 63 31.527 31.527 31.141 0.386 18018 10221 1 20 . 1 1 64 64 GLY N N 64 110.688 110.688 108.004 2.684 18018 10222 1 20 . 1 1 64 64 GLY CA C 64 44.670 44.670 45.227 -0.557 18018 10223 1 20 . 1 1 64 64 GLY H H 64 8.725 8.725 7.626 1.099 18018 10224 1 20 . 1 1 65 65 ASP N N 65 122.028 122.028 118.869 3.159 18018 10225 1 20 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.277 0.386 18018 10226 1 20 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.345 -0.580 18018 10227 1 20 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.891 -0.429 18018 10228 1 20 . 1 1 65 65 ASP H H 65 8.649 8.649 8.762 -0.113 18018 10229 1 20 . 1 1 67 67 ASP N N 67 120.095 120.095 121.279 -1.184 18018 10230 1 20 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.659 -0.078 18018 10231 1 20 . 1 1 67 67 ASP CA C 67 56.553 56.553 55.658 0.895 18018 10232 1 20 . 1 1 67 67 ASP CB C 67 39.871 39.871 40.901 -1.030 18018 10233 1 20 . 1 1 67 67 ASP H H 67 8.181 8.181 7.978 0.203 18018 10234 1 20 . 1 1 68 68 VAL N N 68 123.206 123.206 121.087 2.119 18018 10235 1 20 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.708 0.109 18018 10236 1 20 . 1 1 68 68 VAL CA C 68 65.715 65.715 66.216 -0.501 18018 10237 1 20 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.617 -0.192 18018 10238 1 20 . 1 1 68 68 VAL H H 68 8.014 8.014 7.764 0.250 18018 10239 1 20 . 1 1 69 69 PHE N N 69 120.318 120.318 119.607 0.711 18018 10240 1 20 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.182 -0.060 18018 10241 1 20 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.613 0.129 18018 10242 1 20 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.882 -0.641 18018 10243 1 20 . 1 1 69 69 PHE H H 69 8.501 8.501 7.628 0.873 18018 10244 1 20 . 1 1 70 70 ARG N N 70 117.820 117.820 119.187 -1.367 18018 10245 1 20 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.665 0.047 18018 10246 1 20 . 1 1 70 70 ARG C C 70 178.813 178.813 178.255 0.558 18018 10247 1 20 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.364 -0.518 18018 10248 1 20 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.535 0.247 18018 10249 1 20 . 1 1 70 70 ARG H H 70 8.598 8.598 8.463 0.135 18018 10250 1 20 . 1 1 71 71 LYS N N 71 121.726 121.726 120.042 1.684 18018 10251 1 20 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.104 0.119 18018 10252 1 20 . 1 1 71 71 LYS C C 71 177.020 177.020 179.227 -2.207 18018 10253 1 20 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.437 -0.947 18018 10254 1 20 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.263 -0.377 18018 10255 1 20 . 1 1 71 71 LYS H H 71 7.658 7.658 8.000 -0.342 18018 10256 1 20 . 1 1 72 72 LEU N N 72 119.355 119.355 120.239 -0.884 18018 10257 1 20 . 1 1 72 72 LEU HA H 72 4.025 4.025 3.945 0.080 18018 10258 1 20 . 1 1 72 72 LEU C C 72 177.378 177.378 178.761 -1.383 18018 10259 1 20 . 1 1 72 72 LEU CA C 72 56.986 56.986 58.355 -1.369 18018 10260 1 20 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.916 -0.070 18018 10261 1 20 . 1 1 72 72 LEU H H 72 8.173 8.173 8.254 -0.081 18018 10262 1 20 . 1 1 73 73 ALA N N 73 121.169 121.169 121.863 -0.694 18018 10263 1 20 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.796 -0.064 18018 10264 1 20 . 1 1 73 73 ALA C C 73 179.644 179.644 179.066 0.578 18018 10265 1 20 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.623 -0.799 18018 10266 1 20 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.126 -1.590 18018 10267 1 20 . 1 1 73 73 ALA H H 73 9.151 9.151 8.186 0.965 18018 10268 1 20 . 1 1 74 74 ALA N N 74 119.383 119.383 118.789 0.594 18018 10269 1 20 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.012 0.351 18018 10270 1 20 . 1 1 74 74 ALA C C 74 179.752 179.752 179.748 0.004 18018 10271 1 20 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.372 -0.848 18018 10272 1 20 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.524 -0.880 18018 10273 1 20 . 1 1 74 74 ALA H H 74 7.379 7.379 8.020 -0.641 18018 10274 1 20 . 1 1 75 75 ASP N N 75 120.226 120.226 119.236 0.990 18018 10275 1 20 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.611 -0.116 18018 10276 1 20 . 1 1 75 75 ASP C C 75 177.704 177.704 177.622 0.082 18018 10277 1 20 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.737 -0.750 18018 10278 1 20 . 1 1 75 75 ASP CB C 75 38.944 38.944 41.661 -2.717 18018 10279 1 20 . 1 1 75 75 ASP H H 75 8.474 8.474 7.617 0.857 18018 10280 1 20 . 1 1 76 76 LEU N N 76 115.468 115.468 117.805 -2.337 18018 10281 1 20 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.403 -0.011 18018 10282 1 20 . 1 1 76 76 LEU C C 76 174.790 174.790 176.392 -1.602 18018 10283 1 20 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.090 -0.466 18018 10284 1 20 . 1 1 76 76 LEU CB C 76 40.199 40.199 40.567 -0.368 18018 10285 1 20 . 1 1 76 76 LEU H H 76 8.599 8.599 7.833 0.766 18018 10286 1 20 . 1 1 77 77 GLU N N 77 124.833 124.833 121.171 3.662 18018 10287 1 20 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.040 0.300 18018 10288 1 20 . 1 1 77 77 GLU C C 77 176.953 176.953 177.161 -0.208 18018 10289 1 20 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.770 0.541 18018 10290 1 20 . 1 1 77 77 GLU CB C 77 28.615 28.615 28.605 0.010 18018 10291 1 20 . 1 1 77 77 GLU H H 77 7.115 7.115 7.957 -0.842 18018 10292 1 20 . 1 1 78 78 GLY N N 78 118.193 118.193 114.045 4.148 18018 10293 1 20 . 1 1 78 78 GLY C C 78 173.075 173.075 174.716 -1.641 18018 10294 1 20 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.023 0.082 18018 10295 1 20 . 1 1 78 78 GLY H H 78 9.371 9.371 8.432 0.939 18018 10296 1 20 . 1 1 79 79 LYS N N 79 120.237 120.237 118.907 1.330 18018 10297 1 20 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.446 0.185 18018 10298 1 20 . 1 1 79 79 LYS C C 79 175.050 175.050 175.268 -0.218 18018 10299 1 20 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.086 -0.861 18018 10300 1 20 . 1 1 79 79 LYS CB C 79 34.062 34.062 35.506 -1.444 18018 10301 1 20 . 1 1 79 79 LYS H H 79 8.799 8.799 8.397 0.402 18018 10302 1 20 . 1 1 80 80 ALA N N 80 121.135 121.135 122.614 -1.479 18018 10303 1 20 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.674 0.190 18018 10304 1 20 . 1 1 80 80 ALA C C 80 174.051 174.051 175.680 -1.629 18018 10305 1 20 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.710 -0.839 18018 10306 1 20 . 1 1 80 80 ALA CB C 80 21.127 21.127 20.844 0.283 18018 10307 1 20 . 1 1 80 80 ALA H H 80 8.126 8.126 7.849 0.277 18018 10308 1 20 . 1 1 81 81 ASP N N 81 121.569 121.569 123.612 -2.043 18018 10309 1 20 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.914 -0.046 18018 10310 1 20 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.356 -2.387 18018 10311 1 20 . 1 1 81 81 ASP CB C 81 41.286 41.286 43.053 -1.767 18018 10312 1 20 . 1 1 81 81 ASP H H 81 8.283 8.283 8.119 0.164 18018 10313 1 20 . 1 1 82 82 GLU N N 82 120.044 120.044 121.014 -0.970 18018 10314 1 20 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.308 -0.142 18018 10315 1 20 . 1 1 82 82 GLU C C 82 177.350 177.350 178.636 -1.286 18018 10316 1 20 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.208 0.010 18018 10317 1 20 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.817 -1.192 18018 10318 1 20 . 1 1 82 82 GLU H H 82 8.891 8.891 8.869 0.022 18018 10319 1 20 . 1 1 83 83 GLU N N 83 119.348 119.348 117.707 1.641 18018 10320 1 20 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.140 0.007 18018 10321 1 20 . 1 1 83 83 GLU C C 83 178.794 178.794 177.636 1.158 18018 10322 1 20 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.685 0.397 18018 10323 1 20 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.577 -1.202 18018 10324 1 20 . 1 1 83 83 GLU H H 83 8.827 8.827 8.727 0.100 18018 10325 1 20 . 1 1 84 84 THR N N 84 119.678 119.678 112.098 7.580 18018 10326 1 20 . 1 1 84 84 THR HA H 84 4.131 4.131 4.439 -0.308 18018 10327 1 20 . 1 1 84 84 THR C C 84 176.165 176.165 175.954 0.211 18018 10328 1 20 . 1 1 84 84 THR CA C 84 66.422 66.422 63.424 2.998 18018 10329 1 20 . 1 1 84 84 THR CB C 84 65.645 65.645 70.153 -4.508 18018 10330 1 20 . 1 1 84 84 THR H H 84 8.552 8.552 7.782 0.770 18018 10331 1 20 . 1 1 85 85 ILE N N 85 123.677 123.677 124.071 -0.394 18018 10332 1 20 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.758 0.061 18018 10333 1 20 . 1 1 85 85 ILE C C 85 174.809 174.809 177.233 -2.424 18018 10334 1 20 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.809 -1.226 18018 10335 1 20 . 1 1 85 85 ILE CB C 85 38.490 38.490 38.122 0.368 18018 10336 1 20 . 1 1 85 85 ILE H H 85 8.571 8.571 8.990 -0.419 18018 10337 1 20 . 1 1 86 86 ARG N N 86 119.556 119.556 118.958 0.598 18018 10338 1 20 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.047 0.124 18018 10339 1 20 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.639 -0.020 18018 10340 1 20 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.872 -1.014 18018 10341 1 20 . 1 1 86 86 ARG H H 86 9.093 9.093 7.854 1.239 18018 10342 1 20 . 1 1 87 87 ALA N N 87 121.431 121.431 122.588 -1.157 18018 10343 1 20 . 1 1 87 87 ALA HA H 87 4.288 4.288 3.900 0.388 18018 10344 1 20 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.393 -1.238 18018 10345 1 20 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.142 -1.070 18018 10346 1 20 . 1 1 87 87 ALA H H 87 8.206 8.206 7.990 0.216 18018 10347 1 20 . 1 1 88 88 LYS N N 88 122.850 122.850 118.048 4.802 18018 10348 1 20 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.761 0.221 18018 10349 1 20 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.724 -2.851 18018 10350 1 20 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.445 -1.622 18018 10351 1 20 . 1 1 88 88 LYS H H 88 8.145 8.145 7.959 0.186 18018 10352 1 20 . 1 1 89 89 MET N N 89 118.786 118.786 120.039 -1.253 18018 10353 1 20 . 1 1 89 89 MET HA H 89 3.810 3.810 4.077 -0.267 18018 10354 1 20 . 1 1 89 89 MET CA C 89 60.096 60.096 57.780 2.316 18018 10355 1 20 . 1 1 89 89 MET CB C 89 32.329 32.329 32.200 0.129 18018 10356 1 20 . 1 1 89 89 MET H H 89 8.468 8.468 7.897 0.571 18018 10357 1 20 . 1 1 90 90 VAL N N 90 120.770 120.770 119.740 1.030 18018 10358 1 20 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.406 0.421 18018 10359 1 20 . 1 1 90 90 VAL C C 90 178.017 178.017 178.018 -0.001 18018 10360 1 20 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.886 -1.262 18018 10361 1 20 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.528 0.211 18018 10362 1 20 . 1 1 90 90 VAL H H 90 7.504 7.504 8.426 -0.922 18018 10363 1 20 . 1 1 91 91 GLU N N 91 124.409 124.409 119.252 5.157 18018 10364 1 20 . 1 1 91 91 GLU HA H 91 3.788 3.788 3.988 -0.200 18018 10365 1 20 . 1 1 91 91 GLU C C 91 177.612 177.612 178.667 -1.055 18018 10366 1 20 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.747 -1.333 18018 10367 1 20 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.569 1.875 18018 10368 1 20 . 1 1 91 91 GLU H H 91 8.486 8.486 8.418 0.068 18018 10369 1 20 . 1 1 92 92 LEU N N 92 114.680 114.680 117.600 -2.920 18018 10370 1 20 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.265 0.125 18018 10371 1 20 . 1 1 92 92 LEU C C 92 177.928 177.928 179.232 -1.304 18018 10372 1 20 . 1 1 92 92 LEU CA C 92 55.634 55.634 56.534 -0.900 18018 10373 1 20 . 1 1 92 92 LEU CB C 92 40.341 40.341 41.887 -1.546 18018 10374 1 20 . 1 1 92 92 LEU H H 92 8.823 8.823 7.494 1.329 18018 10375 1 20 . 1 1 93 93 ARG N N 93 123.603 123.603 120.497 3.106 18018 10376 1 20 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.082 -0.139 18018 10377 1 20 . 1 1 93 93 ARG C C 93 176.350 176.350 178.618 -2.268 18018 10378 1 20 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.554 1.027 18018 10379 1 20 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.213 -0.310 18018 10380 1 20 . 1 1 93 93 ARG H H 93 7.690 7.690 7.607 0.083 18018 10381 1 20 . 1 1 94 94 ALA N N 94 122.480 122.480 121.635 0.845 18018 10382 1 20 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.153 0.108 18018 10383 1 20 . 1 1 94 94 ALA C C 94 179.805 179.805 179.777 0.028 18018 10384 1 20 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.315 -0.786 18018 10385 1 20 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.205 -1.269 18018 10386 1 20 . 1 1 94 94 ALA H H 94 7.269 7.269 8.445 -1.176 18018 10387 1 20 . 1 1 95 95 THR N N 95 116.936 116.936 114.995 1.941 18018 10388 1 20 . 1 1 95 95 THR HA H 95 4.045 4.045 4.007 0.038 18018 10389 1 20 . 1 1 95 95 THR C C 95 175.007 175.007 176.393 -1.386 18018 10390 1 20 . 1 1 95 95 THR CA C 95 65.569 65.569 66.683 -1.114 18018 10391 1 20 . 1 1 95 95 THR CB C 95 68.334 68.334 68.657 -0.323 18018 10392 1 20 . 1 1 95 95 THR H H 95 8.282 8.282 8.020 0.262 18018 10393 1 20 . 1 1 96 96 ALA N N 96 124.095 124.095 123.142 0.953 18018 10394 1 20 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.062 -0.200 18018 10395 1 20 . 1 1 96 96 ALA C C 96 178.184 178.184 179.159 -0.975 18018 10396 1 20 . 1 1 96 96 ALA CA C 96 54.749 54.749 55.345 -0.596 18018 10397 1 20 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.488 0.282 18018 10398 1 20 . 1 1 96 96 ALA H H 96 8.681 8.681 8.161 0.520 18018 10399 1 20 . 1 1 97 97 ARG N N 97 117.328 117.328 116.537 0.791 18018 10400 1 20 . 1 1 97 97 ARG HA H 97 3.786 3.786 4.031 -0.245 18018 10401 1 20 . 1 1 97 97 ARG C C 97 176.770 176.770 178.303 -1.533 18018 10402 1 20 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.714 -0.153 18018 10403 1 20 . 1 1 97 97 ARG CB C 97 29.616 29.616 29.802 -0.186 18018 10404 1 20 . 1 1 97 97 ARG H H 97 8.070 8.070 8.204 -0.134 18018 10405 1 20 . 1 1 98 98 GLU N N 98 118.245 118.245 117.553 0.692 18018 10406 1 20 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.141 -0.026 18018 10407 1 20 . 1 1 98 98 GLU C C 98 178.865 178.865 178.237 0.628 18018 10408 1 20 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.625 -0.136 18018 10409 1 20 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.689 -1.177 18018 10410 1 20 . 1 1 98 98 GLU H H 98 7.855 7.855 7.845 0.010 18018 10411 1 20 . 1 1 99 99 GLN N N 99 119.735 119.735 117.499 2.236 18018 10412 1 20 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.236 -0.065 18018 10413 1 20 . 1 1 99 99 GLN C C 99 178.146 178.146 178.564 -0.418 18018 10414 1 20 . 1 1 99 99 GLN CA C 99 58.245 58.245 57.977 0.268 18018 10415 1 20 . 1 1 99 99 GLN CB C 99 27.094 27.094 29.478 -2.384 18018 10416 1 20 . 1 1 99 99 GLN H H 99 8.312 8.312 7.950 0.362 18018 10417 1 20 . 1 1 100 100 ILE N N 100 119.864 119.864 122.155 -2.291 18018 10418 1 20 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.669 0.281 18018 10419 1 20 . 1 1 100 100 ILE C C 100 178.315 178.315 178.278 0.037 18018 10420 1 20 . 1 1 100 100 ILE CA C 100 61.604 61.604 64.148 -2.544 18018 10421 1 20 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.912 -1.416 18018 10422 1 20 . 1 1 100 100 ILE H H 100 8.445 8.445 8.119 0.326 18018 10423 1 20 . 1 1 101 101 ILE N N 101 120.514 120.514 116.948 3.566 18018 10424 1 20 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.645 0.367 18018 10425 1 20 . 1 1 101 101 ILE C C 101 177.006 177.006 177.694 -0.688 18018 10426 1 20 . 1 1 101 101 ILE CA C 101 62.977 62.977 64.375 -1.398 18018 10427 1 20 . 1 1 101 101 ILE CB C 101 36.661 36.661 37.449 -0.788 18018 10428 1 20 . 1 1 101 101 ILE H H 101 8.329 8.329 8.331 -0.002 18018 10429 1 20 . 1 1 102 102 SER N N 102 116.172 116.172 114.319 1.853 18018 10430 1 20 . 1 1 102 102 SER HA H 102 4.562 4.562 4.323 0.239 18018 10431 1 20 . 1 1 102 102 SER C C 102 173.845 173.845 175.365 -1.520 18018 10432 1 20 . 1 1 102 102 SER CA C 102 59.502 59.502 60.757 -1.255 18018 10433 1 20 . 1 1 102 102 SER CB C 102 63.012 63.012 63.201 -0.189 18018 10434 1 20 . 1 1 102 102 SER H H 102 7.882 7.882 7.767 0.115 18018 10435 1 20 . 1 1 103 103 GLU N N 103 122.642 122.642 119.180 3.462 18018 10436 1 20 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.344 0.096 18018 10437 1 20 . 1 1 103 103 GLU C C 103 175.095 175.095 177.118 -2.023 18018 10438 1 20 . 1 1 103 103 GLU CA C 103 55.628 55.628 55.964 -0.336 18018 10439 1 20 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.565 -0.752 18018 10440 1 20 . 1 1 103 103 GLU H H 103 7.735 7.735 7.829 -0.094 18018 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 93 2.777 -1.425 2.396 18018 2 1 1 "Average Difference" HA 89 0.239 -0.072 0.229 18018 3 1 1 "Average Difference" C 64 1.258 0.412 1.198 18018 4 1 1 "Average Difference" CA 95 1.206 0.409 1.141 18018 5 1 1 "Average Difference" CB 88 1.368 0.748 1.152 18018 6 1 1 "Average Difference" HN 93 0.529 -0.273 0.456 18018 7 1 2 "Average Difference" N 93 2.819 -1.532 2.379 18018 8 1 2 "Average Difference" HA 89 0.244 -0.072 0.234 18018 9 1 2 "Average Difference" C 64 1.207 0.399 1.149 18018 10 1 2 "Average Difference" CA 95 1.235 0.435 1.162 18018 11 1 2 "Average Difference" CB 88 1.594 0.849 1.357 18018 12 1 2 "Average Difference" HN 93 0.536 -0.260 0.472 18018 13 1 3 "Average Difference" N 93 2.806 -1.313 2.494 18018 14 1 3 "Average Difference" HA 89 0.224 -0.057 0.218 18018 15 1 3 "Average Difference" C 64 1.313 0.410 1.258 18018 16 1 3 "Average Difference" CA 95 1.321 0.399 1.266 18018 17 1 3 "Average Difference" CB 88 1.656 0.815 1.450 18018 18 1 3 "Average Difference" HN 93 0.498 -0.256 0.430 18018 19 1 4 "Average Difference" N 93 2.792 -1.542 2.341 18018 20 1 4 "Average Difference" HA 89 0.228 -0.056 0.222 18018 21 1 4 "Average Difference" C 64 1.206 0.427 1.137 18018 22 1 4 "Average Difference" CA 95 1.192 0.476 1.099 18018 23 1 4 "Average Difference" CB 88 1.464 0.820 1.219 18018 24 1 4 "Average Difference" HN 93 0.554 -0.284 0.478 18018 25 1 5 "Average Difference" N 93 2.567 -1.223 2.269 18018 26 1 5 "Average Difference" HA 89 0.236 -0.118 0.205 18018 27 1 5 "Average Difference" C 64 1.242 0.626 1.082 18018 28 1 5 "Average Difference" CA 95 1.230 0.683 1.028 18018 29 1 5 "Average Difference" CB 88 1.364 0.623 1.220 18018 30 1 5 "Average Difference" HN 93 0.520 -0.225 0.472 18018 31 1 6 "Average Difference" N 93 2.701 -1.234 2.415 18018 32 1 6 "Average Difference" HA 89 0.215 -0.071 0.204 18018 33 1 6 "Average Difference" C 64 1.231 0.502 1.132 18018 34 1 6 "Average Difference" CA 95 1.104 0.471 1.004 18018 35 1 6 "Average Difference" CB 88 1.361 0.773 1.127 18018 36 1 6 "Average Difference" HN 93 0.488 -0.222 0.438 18018 37 1 7 "Average Difference" N 93 2.821 -1.240 2.547 18018 38 1 7 "Average Difference" HA 89 0.220 -0.073 0.209 18018 39 1 7 "Average Difference" C 64 1.185 0.505 1.081 18018 40 1 7 "Average Difference" CA 95 1.189 0.566 1.051 18018 41 1 7 "Average Difference" CB 88 1.430 0.704 1.252 18018 42 1 7 "Average Difference" HN 93 0.536 -0.245 0.480 18018 43 1 8 "Average Difference" N 93 2.780 -1.410 2.408 18018 44 1 8 "Average Difference" HA 89 0.248 -0.053 0.243 18018 45 1 8 "Average Difference" C 64 1.279 0.446 1.208 18018 46 1 8 "Average Difference" CA 95 1.228 0.401 1.167 18018 47 1 8 "Average Difference" CB 88 1.502 0.771 1.296 18018 48 1 8 "Average Difference" HN 93 0.581 -0.269 0.518 18018 49 1 9 "Average Difference" N 93 2.727 -1.343 2.386 18018 50 1 9 "Average Difference" HA 89 0.238 -0.051 0.234 18018 51 1 9 "Average Difference" C 64 1.160 0.456 1.075 18018 52 1 9 "Average Difference" CA 95 1.241 0.505 1.140 18018 53 1 9 "Average Difference" CB 88 1.653 0.795 1.458 18018 54 1 9 "Average Difference" HN 93 0.542 -0.247 0.485 18018 55 1 10 "Average Difference" N 93 2.774 -1.457 2.374 18018 56 1 10 "Average Difference" HA 89 0.255 -0.109 0.232 18018 57 1 10 "Average Difference" C 64 1.296 0.494 1.207 18018 58 1 10 "Average Difference" CA 95 1.218 0.563 1.086 18018 59 1 10 "Average Difference" CB 88 1.433 0.668 1.274 18018 60 1 10 "Average Difference" HN 93 0.494 -0.235 0.437 18018 61 1 11 "Average Difference" N 93 2.824 -1.311 2.514 18018 62 1 11 "Average Difference" HA 89 0.228 -0.066 0.219 18018 63 1 11 "Average Difference" C 64 1.162 0.529 1.043 18018 64 1 11 "Average Difference" CA 95 1.276 0.519 1.172 18018 65 1 11 "Average Difference" CB 88 1.405 0.742 1.200 18018 66 1 11 "Average Difference" HN 93 0.555 -0.258 0.494 18018 67 1 12 "Average Difference" N 93 2.701 -1.282 2.390 18018 68 1 12 "Average Difference" HA 89 0.222 -0.061 0.214 18018 69 1 12 "Average Difference" C 64 1.223 0.429 1.154 18018 70 1 12 "Average Difference" CA 95 1.159 0.464 1.068 18018 71 1 12 "Average Difference" CB 88 1.452 0.775 1.235 18018 72 1 12 "Average Difference" HN 93 0.524 -0.273 0.450 18018 73 1 13 "Average Difference" N 93 2.763 -1.204 2.500 18018 74 1 13 "Average Difference" HA 89 0.224 -0.037 0.222 18018 75 1 13 "Average Difference" C 64 1.183 0.320 1.148 18018 76 1 13 "Average Difference" CA 95 1.191 0.354 1.143 18018 77 1 13 "Average Difference" CB 88 1.449 0.758 1.242 18018 78 1 13 "Average Difference" HN 93 0.517 -0.203 0.477 18018 79 1 14 "Average Difference" N 93 2.583 -1.252 2.271 18018 80 1 14 "Average Difference" HA 89 0.216 -0.046 0.212 18018 81 1 14 "Average Difference" C 64 1.176 0.422 1.106 18018 82 1 14 "Average Difference" CA 95 1.093 0.373 1.033 18018 83 1 14 "Average Difference" CB 88 1.362 0.782 1.122 18018 84 1 14 "Average Difference" HN 93 0.571 -0.311 0.481 18018 85 1 15 "Average Difference" N 93 3.127 -1.609 2.696 18018 86 1 15 "Average Difference" HA 89 0.227 -0.066 0.219 18018 87 1 15 "Average Difference" C 64 1.209 0.334 1.172 18018 88 1 15 "Average Difference" CA 95 1.203 0.319 1.166 18018 89 1 15 "Average Difference" CB 88 1.421 0.745 1.216 18018 90 1 15 "Average Difference" HN 93 0.603 -0.294 0.529 18018 91 1 16 "Average Difference" N 93 2.754 -1.392 2.390 18018 92 1 16 "Average Difference" HA 89 0.247 -0.059 0.241 18018 93 1 16 "Average Difference" C 64 1.300 0.407 1.245 18018 94 1 16 "Average Difference" CA 95 1.183 0.456 1.098 18018 95 1 16 "Average Difference" CB 88 1.400 0.726 1.204 18018 96 1 16 "Average Difference" HN 93 0.578 -0.294 0.501 18018 97 1 17 "Average Difference" N 93 2.906 -1.589 2.446 18018 98 1 17 "Average Difference" HA 89 0.220 -0.060 0.213 18018 99 1 17 "Average Difference" C 64 1.361 0.443 1.297 18018 100 1 17 "Average Difference" CA 95 1.180 0.415 1.111 18018 101 1 17 "Average Difference" CB 88 1.442 0.705 1.264 18018 102 1 17 "Average Difference" HN 93 0.557 -0.257 0.497 18018 103 1 18 "Average Difference" N 93 2.712 -1.457 2.300 18018 104 1 18 "Average Difference" HA 89 0.230 -0.024 0.230 18018 105 1 18 "Average Difference" C 64 1.198 0.345 1.156 18018 106 1 18 "Average Difference" CA 95 1.179 0.418 1.109 18018 107 1 18 "Average Difference" CB 88 1.605 0.916 1.326 18018 108 1 18 "Average Difference" HN 93 0.536 -0.233 0.485 18018 109 1 19 "Average Difference" N 93 2.776 -1.328 2.451 18018 110 1 19 "Average Difference" HA 89 0.233 -0.070 0.224 18018 111 1 19 "Average Difference" C 64 1.226 0.379 1.175 18018 112 1 19 "Average Difference" CA 95 1.189 0.429 1.115 18018 113 1 19 "Average Difference" CB 88 1.458 0.626 1.324 18018 114 1 19 "Average Difference" HN 93 0.533 -0.256 0.470 18018 115 1 20 "Average Difference" N 93 2.740 -1.309 2.419 18018 116 1 20 "Average Difference" HA 89 0.234 -0.079 0.222 18018 117 1 20 "Average Difference" C 64 1.354 0.536 1.253 18018 118 1 20 "Average Difference" CA 95 1.276 0.639 1.110 18018 119 1 20 "Average Difference" CB 88 1.455 0.737 1.261 18018 120 1 20 "Average Difference" HN 93 0.578 -0.221 0.537 18018 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 18018 _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 4 4 PHE N N 4 122.548 122.548 121.428 1.120 18018 2 1 . 1 1 4 4 PHE HA H 4 4.683 4.683 4.595 0.088 18018 3 1 . 1 1 4 4 PHE CA C 4 57.607 57.607 58.094 -0.487 18018 4 1 . 1 1 4 4 PHE CB C 4 38.895 38.895 39.834 -0.939 18018 5 1 . 1 1 4 4 PHE H H 4 8.328 8.328 8.208 0.120 18018 6 1 . 1 1 7 7 ARG N N 7 121.962 121.962 118.478 3.484 18018 7 1 . 1 1 7 7 ARG HA H 7 4.256 4.256 4.286 -0.030 18018 8 1 . 1 1 7 7 ARG C C 7 176.683 176.683 175.966 0.717 18018 9 1 . 1 1 7 7 ARG CA C 7 57.087 57.087 56.547 0.540 18018 10 1 . 1 1 7 7 ARG CB C 7 29.362 29.362 30.546 -1.184 18018 11 1 . 1 1 7 7 ARG H H 7 8.321 8.321 8.326 -0.005 18018 12 1 . 1 1 8 8 GLU N N 8 121.095 121.095 120.306 0.789 18018 13 1 . 1 1 8 8 GLU HA H 8 4.251 4.251 4.186 0.065 18018 14 1 . 1 1 8 8 GLU C C 8 176.964 176.964 176.707 0.257 18018 15 1 . 1 1 8 8 GLU CA C 8 56.933 56.933 57.630 -0.697 18018 16 1 . 1 1 8 8 GLU CB C 8 28.855 28.855 29.700 -0.845 18018 17 1 . 1 1 8 8 GLU H H 8 8.388 8.388 8.277 0.110 18018 18 1 . 1 1 9 9 ARG N N 9 121.310 121.310 119.108 2.202 18018 19 1 . 1 1 9 9 ARG HA H 9 4.340 4.340 4.169 0.171 18018 20 1 . 1 1 9 9 ARG C C 9 176.563 176.563 175.220 1.343 18018 21 1 . 1 1 9 9 ARG CA C 9 56.413 56.413 56.577 -0.164 18018 22 1 . 1 1 9 9 ARG CB C 9 29.669 29.669 28.783 0.886 18018 23 1 . 1 1 9 9 ARG H H 9 8.268 8.268 8.590 -0.322 18018 24 1 . 1 1 10 10 ALA N N 10 124.224 124.224 119.770 4.454 18018 25 1 . 1 1 10 10 ALA HA H 10 4.318 4.318 4.308 0.010 18018 26 1 . 1 1 10 10 ALA C C 10 178.129 178.129 176.851 1.278 18018 27 1 . 1 1 10 10 ALA CA C 10 52.947 52.947 52.700 0.247 18018 28 1 . 1 1 10 10 ALA CB C 10 17.756 17.756 19.948 -2.192 18018 29 1 . 1 1 10 10 ALA H H 10 8.222 8.222 7.907 0.315 18018 30 1 . 1 1 11 11 HIS N N 11 118.081 118.081 116.001 2.080 18018 31 1 . 1 1 11 11 HIS HA H 11 4.699 4.699 4.845 -0.147 18018 32 1 . 1 1 11 11 HIS C C 11 175.013 175.013 176.333 -1.320 18018 33 1 . 1 1 11 11 HIS CA C 11 56.255 56.255 57.011 -0.756 18018 34 1 . 1 1 11 11 HIS CB C 11 28.767 28.767 31.543 -2.776 18018 35 1 . 1 1 11 11 HIS H H 11 8.486 8.486 8.106 0.380 18018 36 1 . 1 1 12 12 GLU N N 12 121.492 121.492 119.881 1.611 18018 37 1 . 1 1 12 12 GLU HA H 12 4.278 4.278 4.259 0.019 18018 38 1 . 1 1 12 12 GLU C C 12 176.808 176.808 176.836 -0.028 18018 39 1 . 1 1 12 12 GLU CA C 12 57.621 57.621 58.345 -0.724 18018 40 1 . 1 1 12 12 GLU CB C 12 28.853 28.853 29.869 -1.016 18018 41 1 . 1 1 12 12 GLU H H 12 8.370 8.370 8.518 -0.148 18018 42 1 . 1 1 13 13 ALA N N 13 123.583 123.583 121.017 2.566 18018 43 1 . 1 1 13 13 ALA HA H 13 4.304 4.304 4.375 -0.071 18018 44 1 . 1 1 13 13 ALA C C 13 178.197 178.197 178.531 -0.334 18018 45 1 . 1 1 13 13 ALA CA C 13 54.051 54.051 53.661 0.390 18018 46 1 . 1 1 13 13 ALA CB C 13 17.788 17.788 19.187 -1.399 18018 47 1 . 1 1 13 13 ALA H H 13 8.426 8.426 8.199 0.227 18018 48 1 . 1 1 14 14 LYS N N 14 119.772 119.772 119.507 0.265 18018 49 1 . 1 1 14 14 LYS HA H 14 4.218 4.218 3.861 0.357 18018 50 1 . 1 1 14 14 LYS C C 14 176.757 176.757 177.808 -1.051 18018 51 1 . 1 1 14 14 LYS CA C 14 57.110 57.110 58.839 -1.729 18018 52 1 . 1 1 14 14 LYS CB C 14 31.743 31.743 31.923 -0.180 18018 53 1 . 1 1 14 14 LYS H H 14 8.073 8.073 8.113 -0.040 18018 54 1 . 1 1 15 15 PHE N N 15 118.073 118.073 115.631 2.442 18018 55 1 . 1 1 15 15 PHE HA H 15 4.444 4.444 4.523 -0.079 18018 56 1 . 1 1 15 15 PHE C C 15 175.635 175.635 177.608 -1.973 18018 57 1 . 1 1 15 15 PHE CA C 15 59.001 59.001 59.684 -0.683 18018 58 1 . 1 1 15 15 PHE CB C 15 38.491 38.491 38.723 -0.232 18018 59 1 . 1 1 15 15 PHE H H 15 7.926 7.926 7.839 0.087 18018 60 1 . 1 1 16 16 ALA N N 16 122.453 122.453 121.701 0.752 18018 61 1 . 1 1 16 16 ALA HA H 16 4.306 4.306 4.102 0.204 18018 62 1 . 1 1 16 16 ALA C C 16 177.641 177.641 178.450 -0.809 18018 63 1 . 1 1 16 16 ALA CA C 16 53.052 53.052 54.228 -1.176 18018 64 1 . 1 1 16 16 ALA CB C 16 18.021 18.021 18.337 -0.316 18018 65 1 . 1 1 16 16 ALA H H 16 8.137 8.137 7.991 0.146 18018 66 1 . 1 1 17 17 HIS N N 17 115.587 115.587 116.147 -0.560 18018 67 1 . 1 1 17 17 HIS HA H 17 4.825 4.825 4.542 0.283 18018 68 1 . 1 1 17 17 HIS CA C 17 55.095 55.095 56.647 -1.552 18018 69 1 . 1 1 17 17 HIS CB C 17 28.958 28.958 29.658 -0.700 18018 70 1 . 1 1 17 17 HIS H H 17 8.051 8.051 8.019 0.032 18018 71 1 . 1 1 18 18 ASP N N 18 121.432 121.432 118.055 3.377 18018 72 1 . 1 1 18 18 ASP HA H 18 4.790 4.790 4.437 0.353 18018 73 1 . 1 1 18 18 ASP CA C 18 53.582 53.582 55.439 -1.857 18018 74 1 . 1 1 18 18 ASP CB C 18 40.787 40.787 40.548 0.238 18018 75 1 . 1 1 18 18 ASP H H 18 7.913 7.913 7.867 0.046 18018 76 1 . 1 1 19 19 ALA N N 19 126.983 126.983 121.879 5.104 18018 77 1 . 1 1 19 19 ALA HA H 19 4.296 4.296 3.968 0.328 18018 78 1 . 1 1 19 19 ALA CA C 19 54.047 54.047 54.455 -0.408 18018 79 1 . 1 1 19 19 ALA CB C 19 17.859 17.859 17.772 0.086 18018 80 1 . 1 1 19 19 ALA H H 19 8.599 8.599 8.490 0.109 18018 81 1 . 1 1 20 20 GLU N N 20 119.997 119.997 119.360 0.637 18018 82 1 . 1 1 20 20 GLU HA H 20 4.329 4.329 4.191 0.138 18018 83 1 . 1 1 20 20 GLU CA C 20 58.378 58.378 58.652 -0.274 18018 84 1 . 1 1 20 20 GLU CB C 20 28.877 28.877 29.749 -0.872 18018 85 1 . 1 1 20 20 GLU H H 20 8.377 8.377 8.080 0.297 18018 86 1 . 1 1 21 21 LEU N N 21 122.484 122.484 120.240 2.244 18018 87 1 . 1 1 21 21 LEU HA H 21 4.163 4.163 4.303 -0.140 18018 88 1 . 1 1 21 21 LEU CA C 21 57.125 57.125 58.120 -0.995 18018 89 1 . 1 1 21 21 LEU CB C 21 41.030 41.030 41.863 -0.833 18018 90 1 . 1 1 21 21 LEU H H 21 8.117 8.117 7.891 0.226 18018 91 1 . 1 1 22 22 ASN N N 22 117.879 117.879 117.547 0.332 18018 92 1 . 1 1 22 22 ASN HA H 22 4.692 4.692 4.468 0.224 18018 93 1 . 1 1 22 22 ASN CA C 22 56.338 56.338 56.319 0.019 18018 94 1 . 1 1 22 22 ASN CB C 22 40.138 40.138 37.990 2.148 18018 95 1 . 1 1 22 22 ASN H H 22 8.507 8.507 8.182 0.325 18018 96 1 . 1 1 23 23 PHE N N 23 121.096 121.096 120.448 0.648 18018 97 1 . 1 1 23 23 PHE HA H 23 4.463 4.463 4.300 0.163 18018 98 1 . 1 1 23 23 PHE CA C 23 60.239 60.239 61.061 -0.822 18018 99 1 . 1 1 23 23 PHE CB C 23 38.032 38.032 39.159 -1.127 18018 100 1 . 1 1 23 23 PHE H H 23 8.465 8.465 8.043 0.422 18018 101 1 . 1 1 24 24 LYS N N 24 120.580 120.580 119.082 1.498 18018 102 1 . 1 1 24 24 LYS HA H 24 4.171 4.171 4.001 0.170 18018 103 1 . 1 1 24 24 LYS C C 24 179.309 179.309 178.718 0.591 18018 104 1 . 1 1 24 24 LYS CA C 24 59.041 59.041 59.123 -0.083 18018 105 1 . 1 1 24 24 LYS CB C 24 32.387 32.387 32.184 0.203 18018 106 1 . 1 1 24 24 LYS H H 24 8.427 8.427 7.980 0.447 18018 107 1 . 1 1 25 25 ALA N N 25 123.682 123.682 121.282 2.400 18018 108 1 . 1 1 25 25 ALA HA H 25 4.121 4.121 4.129 -0.008 18018 109 1 . 1 1 25 25 ALA C C 25 178.243 178.243 179.297 -1.054 18018 110 1 . 1 1 25 25 ALA CA C 25 54.465 54.465 54.815 -0.350 18018 111 1 . 1 1 25 25 ALA CB C 25 17.699 17.699 18.394 -0.695 18018 112 1 . 1 1 25 25 ALA H H 25 8.768 8.768 8.338 0.430 18018 113 1 . 1 1 26 26 GLU N N 26 122.051 122.051 119.111 2.940 18018 114 1 . 1 1 26 26 GLU HA H 26 4.021 4.021 3.992 0.029 18018 115 1 . 1 1 26 26 GLU C C 26 177.265 177.265 178.351 -1.086 18018 116 1 . 1 1 26 26 GLU CA C 26 58.461 58.461 59.226 -0.765 18018 117 1 . 1 1 26 26 GLU CB C 26 28.762 28.762 29.287 -0.525 18018 118 1 . 1 1 26 26 GLU H H 26 8.532 8.532 8.055 0.477 18018 119 1 . 1 1 27 27 ALA N N 27 122.124 122.124 120.753 1.371 18018 120 1 . 1 1 27 27 ALA HA H 27 4.325 4.325 4.137 0.188 18018 121 1 . 1 1 27 27 ALA C C 27 180.552 180.552 179.169 1.383 18018 122 1 . 1 1 27 27 ALA CA C 27 54.169 54.169 54.234 -0.065 18018 123 1 . 1 1 27 27 ALA CB C 27 17.109 17.109 18.476 -1.367 18018 124 1 . 1 1 27 27 ALA H H 27 8.048 8.048 7.615 0.433 18018 125 1 . 1 1 28 28 ARG N N 28 120.501 120.501 118.728 1.773 18018 126 1 . 1 1 28 28 ARG HA H 28 4.412 4.412 4.186 0.226 18018 127 1 . 1 1 28 28 ARG C C 28 176.309 176.309 178.503 -2.194 18018 128 1 . 1 1 28 28 ARG CA C 28 55.969 55.969 58.304 -2.335 18018 129 1 . 1 1 28 28 ARG CB C 28 26.915 26.915 30.411 -3.496 18018 130 1 . 1 1 28 28 ARG H H 28 8.046 8.046 7.930 0.116 18018 131 1 . 1 1 29 29 ARG N N 29 122.842 122.842 118.877 3.965 18018 132 1 . 1 1 29 29 ARG HA H 29 3.698 3.698 4.009 -0.311 18018 133 1 . 1 1 29 29 ARG CA C 29 59.416 59.416 59.437 -0.021 18018 134 1 . 1 1 29 29 ARG CB C 29 28.148 28.148 29.356 -1.208 18018 135 1 . 1 1 29 29 ARG H H 29 8.908 8.908 8.381 0.527 18018 136 1 . 1 1 30 30 ASN N N 30 120.150 120.150 118.348 1.802 18018 137 1 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.503 0.131 18018 138 1 . 1 1 30 30 ASN C C 30 175.888 175.888 177.419 -1.531 18018 139 1 . 1 1 30 30 ASN CA C 30 55.407 55.407 55.943 -0.536 18018 140 1 . 1 1 30 30 ASN CB C 30 35.935 35.935 37.936 -2.001 18018 141 1 . 1 1 30 30 ASN H H 30 8.402 8.402 7.998 0.404 18018 142 1 . 1 1 31 31 ARG N N 31 123.400 123.400 120.991 2.409 18018 143 1 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.164 0.118 18018 144 1 . 1 1 31 31 ARG C C 31 177.804 177.804 178.429 -0.625 18018 145 1 . 1 1 31 31 ARG CA C 31 58.950 58.950 59.106 -0.157 18018 146 1 . 1 1 31 31 ARG CB C 31 29.121 29.121 29.955 -0.834 18018 147 1 . 1 1 31 31 ARG H H 31 7.996 7.996 7.826 0.170 18018 148 1 . 1 1 32 32 LEU N N 32 119.872 119.872 119.282 0.590 18018 149 1 . 1 1 32 32 LEU HA H 32 4.291 4.291 4.155 0.136 18018 150 1 . 1 1 32 32 LEU C C 32 180.602 180.602 179.457 1.145 18018 151 1 . 1 1 32 32 LEU CA C 32 57.246 57.246 57.777 -0.531 18018 152 1 . 1 1 32 32 LEU CB C 32 41.170 41.170 41.658 -0.488 18018 153 1 . 1 1 32 32 LEU H H 32 8.742 8.742 7.914 0.828 18018 154 1 . 1 1 33 33 LEU N N 33 124.468 124.468 119.421 5.047 18018 155 1 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.244 0.057 18018 156 1 . 1 1 33 33 LEU C C 33 177.992 177.992 178.975 -0.983 18018 157 1 . 1 1 33 33 LEU CA C 33 57.015 57.015 57.702 -0.687 18018 158 1 . 1 1 33 33 LEU CB C 33 42.239 42.239 41.818 0.421 18018 159 1 . 1 1 33 33 LEU H H 33 9.249 9.249 7.869 1.380 18018 160 1 . 1 1 34 34 GLY N N 34 109.045 109.045 107.331 1.714 18018 161 1 . 1 1 34 34 GLY C C 34 174.530 174.530 175.971 -1.441 18018 162 1 . 1 1 34 34 GLY CA C 34 47.447 47.447 47.578 -0.131 18018 163 1 . 1 1 34 34 GLY H H 34 8.873 8.873 8.496 0.377 18018 164 1 . 1 1 35 35 GLU N N 35 123.414 123.414 121.881 1.533 18018 165 1 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.191 -0.014 18018 166 1 . 1 1 35 35 GLU C C 35 178.866 178.866 178.594 0.272 18018 167 1 . 1 1 35 35 GLU CA C 35 59.031 59.031 58.589 0.442 18018 168 1 . 1 1 35 35 GLU CB C 35 28.963 28.963 29.300 -0.337 18018 169 1 . 1 1 35 35 GLU H H 35 8.920 8.920 8.341 0.579 18018 170 1 . 1 1 36 36 TRP N N 36 124.774 124.774 122.376 2.398 18018 171 1 . 1 1 36 36 TRP HA H 36 4.583 4.583 4.293 0.290 18018 172 1 . 1 1 36 36 TRP C C 36 177.618 177.618 177.884 -0.266 18018 173 1 . 1 1 36 36 TRP CA C 36 59.618 59.618 60.656 -1.038 18018 174 1 . 1 1 36 36 TRP CB C 36 26.594 26.594 29.434 -2.840 18018 175 1 . 1 1 36 36 TRP H H 36 8.510 8.510 7.700 0.810 18018 176 1 . 1 1 37 37 ALA N N 37 123.777 123.777 120.728 3.049 18018 177 1 . 1 1 37 37 ALA HA H 37 3.377 3.377 3.111 0.266 18018 178 1 . 1 1 37 37 ALA C C 37 177.427 177.427 178.988 -1.561 18018 179 1 . 1 1 37 37 ALA CA C 37 53.849 53.849 54.419 -0.570 18018 180 1 . 1 1 37 37 ALA CB C 37 19.046 19.046 17.641 1.405 18018 181 1 . 1 1 37 37 ALA H H 37 9.122 9.122 8.208 0.914 18018 182 1 . 1 1 38 38 ALA N N 38 119.259 119.259 120.294 -1.035 18018 183 1 . 1 1 38 38 ALA HA H 38 3.494 3.494 3.371 0.123 18018 184 1 . 1 1 38 38 ALA C C 38 178.670 178.670 179.171 -0.501 18018 185 1 . 1 1 38 38 ALA CA C 38 54.443 54.443 54.855 -0.412 18018 186 1 . 1 1 38 38 ALA CB C 38 17.689 17.689 18.145 -0.456 18018 187 1 . 1 1 38 38 ALA H H 38 8.772 8.772 8.292 0.480 18018 188 1 . 1 1 39 39 GLY N N 39 104.027 104.027 104.650 -0.623 18018 189 1 . 1 1 39 39 GLY C C 39 177.232 177.232 175.825 1.408 18018 190 1 . 1 1 39 39 GLY CA C 39 46.422 46.422 46.252 0.170 18018 191 1 . 1 1 39 39 GLY H H 39 7.733 7.733 7.768 -0.035 18018 192 1 . 1 1 40 40 LEU N N 40 125.448 125.448 120.582 4.866 18018 193 1 . 1 1 40 40 LEU HA H 40 4.085 4.085 4.076 0.009 18018 194 1 . 1 1 40 40 LEU C C 40 178.203 178.203 177.743 0.460 18018 195 1 . 1 1 40 40 LEU CA C 40 56.718 56.718 55.895 0.822 18018 196 1 . 1 1 40 40 LEU CB C 40 41.339 41.339 42.119 -0.780 18018 197 1 . 1 1 40 40 LEU H H 40 7.492 7.492 7.192 0.300 18018 198 1 . 1 1 41 41 LEU N N 41 117.234 117.234 115.808 1.426 18018 199 1 . 1 1 41 41 LEU HA H 41 4.107 4.107 3.977 0.130 18018 200 1 . 1 1 41 41 LEU C C 41 176.119 176.119 177.784 -1.665 18018 201 1 . 1 1 41 41 LEU CA C 41 53.882 53.882 56.091 -2.209 18018 202 1 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.903 -0.250 18018 203 1 . 1 1 41 41 LEU H H 41 7.676 7.676 7.724 -0.048 18018 204 1 . 1 1 42 42 GLY N N 42 109.595 109.595 104.766 4.829 18018 205 1 . 1 1 42 42 GLY C C 42 173.775 173.775 174.595 -0.820 18018 206 1 . 1 1 42 42 GLY CA C 42 45.248 45.248 44.834 0.414 18018 207 1 . 1 1 42 42 GLY H H 42 7.869 7.869 7.591 0.278 18018 208 1 . 1 1 43 43 LYS N N 43 119.965 119.965 120.752 -0.787 18018 209 1 . 1 1 43 43 LYS HA H 43 4.712 4.712 4.492 0.220 18018 210 1 . 1 1 43 43 LYS C C 43 175.246 175.246 175.837 -0.591 18018 211 1 . 1 1 43 43 LYS CA C 43 54.770 54.770 55.386 -0.616 18018 212 1 . 1 1 43 43 LYS CB C 43 33.771 33.771 33.563 0.208 18018 213 1 . 1 1 43 43 LYS H H 43 8.079 8.079 8.014 0.065 18018 214 1 . 1 1 44 44 THR N N 44 114.199 114.199 109.446 4.753 18018 215 1 . 1 1 44 44 THR HA H 44 4.749 4.749 4.442 0.307 18018 216 1 . 1 1 44 44 THR C C 44 174.392 174.392 174.745 -0.353 18018 217 1 . 1 1 44 44 THR CA C 44 58.992 58.992 60.687 -1.695 18018 218 1 . 1 1 44 44 THR CB C 44 71.762 71.762 71.891 -0.129 18018 219 1 . 1 1 44 44 THR H H 44 8.934 8.934 7.990 0.944 18018 220 1 . 1 1 45 45 GLY N N 45 109.657 109.657 111.049 -1.392 18018 221 1 . 1 1 45 45 GLY C C 45 175.330 175.330 174.585 0.745 18018 222 1 . 1 1 45 45 GLY CA C 45 46.145 46.145 46.514 -0.369 18018 223 1 . 1 1 45 45 GLY H H 45 8.862 8.862 8.555 0.307 18018 224 1 . 1 1 46 46 ASP N N 46 128.403 128.403 122.763 5.640 18018 225 1 . 1 1 46 46 ASP HA H 46 4.533 4.533 4.737 -0.204 18018 226 1 . 1 1 46 46 ASP C C 46 177.343 177.343 177.380 -0.037 18018 227 1 . 1 1 46 46 ASP CA C 46 56.485 56.485 55.106 1.379 18018 228 1 . 1 1 46 46 ASP CB C 46 39.878 39.878 41.488 -1.610 18018 229 1 . 1 1 46 46 ASP H H 46 9.283 9.283 8.332 0.951 18018 230 1 . 1 1 47 47 ASP N N 47 121.367 121.367 121.513 -0.146 18018 231 1 . 1 1 47 47 ASP HA H 47 4.636 4.636 4.428 0.208 18018 232 1 . 1 1 47 47 ASP CA C 47 56.140 56.140 57.511 -1.371 18018 233 1 . 1 1 47 47 ASP CB C 47 39.976 39.976 40.806 -0.830 18018 234 1 . 1 1 47 47 ASP H H 47 8.488 8.488 8.059 0.429 18018 235 1 . 1 1 48 48 ALA N N 48 123.210 123.210 121.529 1.681 18018 236 1 . 1 1 48 48 ALA HA H 48 3.917 3.917 4.023 -0.106 18018 237 1 . 1 1 48 48 ALA CA C 48 54.047 54.047 55.084 -1.037 18018 238 1 . 1 1 48 48 ALA CB C 48 16.642 16.642 18.709 -2.067 18018 239 1 . 1 1 48 48 ALA H H 48 7.235 7.235 7.831 -0.596 18018 240 1 . 1 1 49 49 ARG N N 49 120.088 120.088 119.282 0.806 18018 241 1 . 1 1 49 49 ARG HA H 49 4.108 4.108 4.007 0.101 18018 242 1 . 1 1 49 49 ARG CA C 49 58.700 58.700 59.196 -0.496 18018 243 1 . 1 1 49 49 ARG CB C 49 29.565 29.565 30.175 -0.610 18018 244 1 . 1 1 49 49 ARG H H 49 7.777 7.777 7.797 -0.020 18018 245 1 . 1 1 50 50 ALA N N 50 120.988 120.988 121.706 -0.718 18018 246 1 . 1 1 50 50 ALA HA H 50 4.191 4.191 4.052 0.139 18018 247 1 . 1 1 50 50 ALA CA C 50 54.083 54.083 54.930 -0.847 18018 248 1 . 1 1 50 50 ALA CB C 50 17.279 17.279 18.265 -0.986 18018 249 1 . 1 1 50 50 ALA H H 50 8.350 8.350 8.054 0.296 18018 250 1 . 1 1 51 51 TYR N N 51 119.264 119.264 119.703 -0.439 18018 251 1 . 1 1 51 51 TYR HA H 51 4.201 4.201 4.088 0.113 18018 252 1 . 1 1 51 51 TYR C C 51 178.335 178.335 177.330 1.005 18018 253 1 . 1 1 51 51 TYR CA C 51 61.087 61.087 61.357 -0.270 18018 254 1 . 1 1 51 51 TYR CB C 51 37.840 37.840 38.488 -0.648 18018 255 1 . 1 1 51 51 TYR H H 51 8.054 8.054 8.002 0.052 18018 256 1 . 1 1 52 52 ALA N N 52 124.002 124.002 119.575 4.427 18018 257 1 . 1 1 52 52 ALA HA H 52 3.867 3.867 4.199 -0.332 18018 258 1 . 1 1 52 52 ALA C C 52 178.352 178.352 177.862 0.490 18018 259 1 . 1 1 52 52 ALA CA C 52 55.070 55.070 54.012 1.058 18018 260 1 . 1 1 52 52 ALA CB C 52 16.835 16.835 18.803 -1.968 18018 261 1 . 1 1 52 52 ALA H H 52 8.611 8.611 7.988 0.623 18018 262 1 . 1 1 53 53 LEU N N 53 116.323 116.323 115.722 0.601 18018 263 1 . 1 1 53 53 LEU HA H 53 4.284 4.284 4.433 -0.149 18018 264 1 . 1 1 53 53 LEU C C 53 177.452 177.452 177.537 -0.085 18018 265 1 . 1 1 53 53 LEU CA C 53 55.862 55.862 55.328 0.534 18018 266 1 . 1 1 53 53 LEU CB C 53 41.275 41.275 41.625 -0.350 18018 267 1 . 1 1 53 53 LEU H H 53 7.591 7.591 7.602 -0.011 18018 268 1 . 1 1 54 54 THR N N 54 110.782 110.782 114.378 -3.596 18018 269 1 . 1 1 54 54 THR HA H 54 4.392 4.392 4.277 0.115 18018 270 1 . 1 1 54 54 THR CA C 54 62.390 62.390 63.722 -1.332 18018 271 1 . 1 1 54 54 THR H H 54 7.947 7.947 7.787 0.160 18018 272 1 . 1 1 55 55 VAL N N 55 123.763 123.763 120.154 3.609 18018 273 1 . 1 1 55 55 VAL HA H 55 3.882 3.882 4.073 -0.191 18018 274 1 . 1 1 55 55 VAL CA C 55 62.744 62.744 62.790 -0.046 18018 275 1 . 1 1 55 55 VAL CB C 55 29.871 29.871 31.843 -1.972 18018 276 1 . 1 1 55 55 VAL H H 55 7.171 7.171 7.770 -0.599 18018 277 1 . 1 1 56 56 VAL N N 56 118.917 118.917 119.019 -0.102 18018 278 1 . 1 1 56 56 VAL HA H 56 4.390 4.390 4.186 0.204 18018 279 1 . 1 1 56 56 VAL CA C 56 60.780 60.780 62.262 -1.482 18018 280 1 . 1 1 56 56 VAL CB C 56 33.490 33.490 31.356 2.134 18018 281 1 . 1 1 56 56 VAL H H 56 7.409 7.409 7.618 -0.209 18018 282 1 . 1 1 57 57 THR N N 57 115.599 115.599 117.623 -2.024 18018 283 1 . 1 1 57 57 THR HA H 57 4.532 4.532 4.276 0.256 18018 284 1 . 1 1 57 57 THR CA C 57 60.614 60.614 63.173 -2.559 18018 285 1 . 1 1 57 57 THR CB C 57 68.892 68.892 69.141 -0.249 18018 286 1 . 1 1 57 57 THR H H 57 7.916 7.916 8.542 -0.626 18018 287 1 . 1 1 58 58 SER N N 58 120.007 120.007 117.463 2.544 18018 288 1 . 1 1 58 58 SER HA H 58 4.547 4.547 4.338 0.209 18018 289 1 . 1 1 58 58 SER CA C 58 57.770 57.770 59.611 -1.841 18018 290 1 . 1 1 58 58 SER CB C 58 63.162 63.162 63.194 -0.032 18018 291 1 . 1 1 58 58 SER H H 58 8.580 8.580 8.141 0.439 18018 292 1 . 1 1 59 59 ASP N N 59 122.731 122.731 120.873 1.858 18018 293 1 . 1 1 59 59 ASP HA H 59 4.690 4.690 4.620 0.070 18018 294 1 . 1 1 59 59 ASP CA C 59 53.456 53.456 54.442 -0.986 18018 295 1 . 1 1 59 59 ASP CB C 59 40.748 40.748 41.438 -0.690 18018 296 1 . 1 1 59 59 ASP H H 59 8.399 8.399 8.220 0.179 18018 297 1 . 1 1 60 60 PHE HA H 60 4.168 4.168 4.587 -0.419 18018 298 1 . 1 1 60 60 PHE CA C 60 60.054 60.054 58.503 1.551 18018 299 1 . 1 1 60 60 PHE CB C 60 35.813 35.813 39.922 -4.109 18018 300 1 . 1 1 63 63 PRO HA H 63 4.596 4.596 4.467 0.129 18018 301 1 . 1 1 63 63 PRO CA C 63 62.948 62.948 62.897 0.051 18018 302 1 . 1 1 63 63 PRO CB C 63 31.527 31.527 31.896 -0.369 18018 303 1 . 1 1 64 64 GLY N N 64 110.688 110.688 110.092 0.596 18018 304 1 . 1 1 64 64 GLY CA C 64 44.670 44.670 44.932 -0.262 18018 305 1 . 1 1 64 64 GLY H H 64 8.725 8.725 8.138 0.587 18018 306 1 . 1 1 65 65 ASP N N 65 122.028 122.028 120.999 1.029 18018 307 1 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.391 0.272 18018 308 1 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.712 0.053 18018 309 1 . 1 1 65 65 ASP CB C 65 40.462 40.462 40.763 -0.301 18018 310 1 . 1 1 65 65 ASP H H 65 8.649 8.649 8.474 0.175 18018 311 1 . 1 1 67 67 ASP N N 67 120.095 120.095 120.124 -0.030 18018 312 1 . 1 1 67 67 ASP HA H 67 4.581 4.581 4.595 -0.014 18018 313 1 . 1 1 67 67 ASP CA C 67 56.553 56.553 56.246 0.307 18018 314 1 . 1 1 67 67 ASP CB C 67 39.871 39.871 41.071 -1.200 18018 315 1 . 1 1 67 67 ASP H H 67 8.181 8.181 8.361 -0.180 18018 316 1 . 1 1 68 68 VAL N N 68 123.206 123.206 120.138 3.068 18018 317 1 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.738 0.079 18018 318 1 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.338 0.377 18018 319 1 . 1 1 68 68 VAL CB C 68 31.425 31.425 31.638 -0.213 18018 320 1 . 1 1 68 68 VAL H H 68 8.014 8.014 7.818 0.196 18018 321 1 . 1 1 69 69 PHE N N 69 120.318 120.318 120.711 -0.393 18018 322 1 . 1 1 69 69 PHE HA H 69 4.122 4.122 4.150 -0.028 18018 323 1 . 1 1 69 69 PHE CA C 69 61.742 61.742 61.982 -0.240 18018 324 1 . 1 1 69 69 PHE CB C 69 38.241 38.241 38.980 -0.739 18018 325 1 . 1 1 69 69 PHE H H 69 8.501 8.501 7.916 0.585 18018 326 1 . 1 1 70 70 ARG N N 70 117.820 117.820 118.965 -1.145 18018 327 1 . 1 1 70 70 ARG HA H 70 3.712 3.712 3.845 -0.133 18018 328 1 . 1 1 70 70 ARG C C 70 178.813 178.813 178.485 0.328 18018 329 1 . 1 1 70 70 ARG CA C 70 58.846 58.846 59.138 -0.292 18018 330 1 . 1 1 70 70 ARG CB C 70 29.782 29.782 29.766 0.016 18018 331 1 . 1 1 70 70 ARG H H 70 8.598 8.598 8.197 0.401 18018 332 1 . 1 1 71 71 LYS N N 71 121.726 121.726 119.898 1.828 18018 333 1 . 1 1 71 71 LYS HA H 71 4.223 4.223 4.092 0.131 18018 334 1 . 1 1 71 71 LYS C C 71 177.020 177.020 178.786 -1.766 18018 335 1 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.067 -0.577 18018 336 1 . 1 1 71 71 LYS CB C 71 31.886 31.886 32.338 -0.452 18018 337 1 . 1 1 71 71 LYS H H 71 7.658 7.658 7.707 -0.049 18018 338 1 . 1 1 72 72 LEU N N 72 119.355 119.355 119.890 -0.535 18018 339 1 . 1 1 72 72 LEU HA H 72 4.025 4.025 4.129 -0.104 18018 340 1 . 1 1 72 72 LEU C C 72 177.378 177.378 178.783 -1.405 18018 341 1 . 1 1 72 72 LEU CA C 72 56.986 56.986 57.741 -0.755 18018 342 1 . 1 1 72 72 LEU CB C 72 41.846 41.846 41.692 0.154 18018 343 1 . 1 1 72 72 LEU H H 72 8.173 8.173 8.030 0.143 18018 344 1 . 1 1 73 73 ALA N N 73 121.169 121.169 120.982 0.187 18018 345 1 . 1 1 73 73 ALA HA H 73 3.732 3.732 3.871 -0.139 18018 346 1 . 1 1 73 73 ALA C C 73 179.644 179.644 178.392 1.252 18018 347 1 . 1 1 73 73 ALA CA C 73 53.824 53.824 54.422 -0.598 18018 348 1 . 1 1 73 73 ALA CB C 73 16.536 16.536 18.165 -1.629 18018 349 1 . 1 1 73 73 ALA H H 73 9.151 9.151 8.233 0.918 18018 350 1 . 1 1 74 74 ALA N N 74 119.383 119.383 118.225 1.158 18018 351 1 . 1 1 74 74 ALA HA H 74 4.363 4.363 4.123 0.239 18018 352 1 . 1 1 74 74 ALA C C 74 179.752 179.752 178.731 1.021 18018 353 1 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.792 -0.268 18018 354 1 . 1 1 74 74 ALA CB C 74 17.644 17.644 18.524 -0.880 18018 355 1 . 1 1 74 74 ALA H H 74 7.379 7.379 7.611 -0.232 18018 356 1 . 1 1 75 75 ASP N N 75 120.226 120.226 119.347 0.879 18018 357 1 . 1 1 75 75 ASP HA H 75 4.495 4.495 4.639 -0.144 18018 358 1 . 1 1 75 75 ASP C C 75 177.704 177.704 177.544 0.160 18018 359 1 . 1 1 75 75 ASP CA C 75 55.987 55.987 56.116 -0.129 18018 360 1 . 1 1 75 75 ASP CB C 75 38.944 38.944 42.048 -3.104 18018 361 1 . 1 1 75 75 ASP H H 75 8.474 8.474 7.685 0.789 18018 362 1 . 1 1 76 76 LEU N N 76 115.468 115.468 118.882 -3.414 18018 363 1 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.367 0.025 18018 364 1 . 1 1 76 76 LEU C C 76 174.790 174.790 176.033 -1.243 18018 365 1 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.196 -0.572 18018 366 1 . 1 1 76 76 LEU CB C 76 40.199 40.199 40.371 -0.172 18018 367 1 . 1 1 76 76 LEU H H 76 8.599 8.599 7.918 0.681 18018 368 1 . 1 1 77 77 GLU N N 77 124.833 124.833 121.729 3.104 18018 369 1 . 1 1 77 77 GLU HA H 77 4.340 4.340 4.016 0.325 18018 370 1 . 1 1 77 77 GLU C C 77 176.953 176.953 177.310 -0.357 18018 371 1 . 1 1 77 77 GLU CA C 77 58.311 58.311 57.905 0.406 18018 372 1 . 1 1 77 77 GLU CB C 77 28.615 28.615 29.094 -0.479 18018 373 1 . 1 1 77 77 GLU H H 77 7.115 7.115 7.462 -0.347 18018 374 1 . 1 1 78 78 GLY N N 78 118.193 118.193 113.562 4.631 18018 375 1 . 1 1 78 78 GLY C C 78 173.075 173.075 174.735 -1.660 18018 376 1 . 1 1 78 78 GLY CA C 78 45.105 45.105 45.702 -0.597 18018 377 1 . 1 1 78 78 GLY H H 78 9.371 9.371 8.572 0.799 18018 378 1 . 1 1 79 79 LYS N N 79 120.237 120.237 119.384 0.853 18018 379 1 . 1 1 79 79 LYS HA H 79 4.631 4.631 4.396 0.235 18018 380 1 . 1 1 79 79 LYS C C 79 175.050 175.050 175.452 -0.402 18018 381 1 . 1 1 79 79 LYS CA C 79 55.225 55.225 56.224 -0.999 18018 382 1 . 1 1 79 79 LYS CB C 79 34.062 34.062 34.705 -0.643 18018 383 1 . 1 1 79 79 LYS H H 79 8.799 8.799 8.263 0.536 18018 384 1 . 1 1 80 80 ALA N N 80 121.135 121.135 122.623 -1.488 18018 385 1 . 1 1 80 80 ALA HA H 80 4.864 4.864 4.635 0.229 18018 386 1 . 1 1 80 80 ALA C C 80 174.051 174.051 175.083 -1.032 18018 387 1 . 1 1 80 80 ALA CA C 80 50.871 50.871 51.633 -0.763 18018 388 1 . 1 1 80 80 ALA CB C 80 21.127 21.127 21.164 -0.037 18018 389 1 . 1 1 80 80 ALA H H 80 8.126 8.126 7.810 0.316 18018 390 1 . 1 1 81 81 ASP N N 81 121.569 121.569 123.952 -2.383 18018 391 1 . 1 1 81 81 ASP HA H 81 4.868 4.868 4.763 0.105 18018 392 1 . 1 1 81 81 ASP CA C 81 50.969 50.969 53.407 -2.438 18018 393 1 . 1 1 81 81 ASP CB C 81 41.286 41.286 42.394 -1.108 18018 394 1 . 1 1 81 81 ASP H H 81 8.283 8.283 8.472 -0.189 18018 395 1 . 1 1 82 82 GLU N N 82 120.044 120.044 121.512 -1.468 18018 396 1 . 1 1 82 82 GLU HA H 82 4.166 4.166 4.243 -0.077 18018 397 1 . 1 1 82 82 GLU C C 82 177.350 177.350 178.651 -1.301 18018 398 1 . 1 1 82 82 GLU CA C 82 60.218 60.218 60.637 -0.419 18018 399 1 . 1 1 82 82 GLU CB C 82 28.625 28.625 29.821 -1.196 18018 400 1 . 1 1 82 82 GLU H H 82 8.891 8.891 8.848 0.043 18018 401 1 . 1 1 83 83 GLU N N 83 119.348 119.348 117.246 2.102 18018 402 1 . 1 1 83 83 GLU HA H 83 4.147 4.147 4.138 0.009 18018 403 1 . 1 1 83 83 GLU C C 83 178.794 178.794 177.835 0.959 18018 404 1 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.868 0.214 18018 405 1 . 1 1 83 83 GLU CB C 83 28.375 28.375 29.481 -1.106 18018 406 1 . 1 1 83 83 GLU H H 83 8.827 8.827 8.799 0.028 18018 407 1 . 1 1 84 84 THR N N 84 119.678 119.678 113.369 6.309 18018 408 1 . 1 1 84 84 THR HA H 84 4.131 4.131 4.369 -0.238 18018 409 1 . 1 1 84 84 THR C C 84 176.165 176.165 175.989 0.176 18018 410 1 . 1 1 84 84 THR CA C 84 66.422 66.422 64.679 1.743 18018 411 1 . 1 1 84 84 THR CB C 84 65.645 65.645 70.069 -4.424 18018 412 1 . 1 1 84 84 THR H H 84 8.552 8.552 7.804 0.748 18018 413 1 . 1 1 85 85 ILE N N 85 123.677 123.677 123.843 -0.167 18018 414 1 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.700 0.119 18018 415 1 . 1 1 85 85 ILE C C 85 174.809 174.809 177.666 -2.857 18018 416 1 . 1 1 85 85 ILE CA C 85 65.583 65.583 66.414 -0.831 18018 417 1 . 1 1 85 85 ILE CB C 85 38.490 38.490 37.891 0.599 18018 418 1 . 1 1 85 85 ILE H H 85 8.571 8.571 8.668 -0.097 18018 419 1 . 1 1 86 86 ARG N N 86 119.556 119.556 118.977 0.579 18018 420 1 . 1 1 86 86 ARG HA H 86 4.171 4.171 4.064 0.107 18018 421 1 . 1 1 86 86 ARG CA C 86 59.619 59.619 59.259 0.360 18018 422 1 . 1 1 86 86 ARG CB C 86 28.858 28.858 29.731 -0.873 18018 423 1 . 1 1 86 86 ARG H H 86 9.093 9.093 8.333 0.760 18018 424 1 . 1 1 87 87 ALA N N 87 121.431 121.431 122.721 -1.290 18018 425 1 . 1 1 87 87 ALA HA H 87 4.288 4.288 4.017 0.271 18018 426 1 . 1 1 87 87 ALA CA C 87 54.155 54.155 55.243 -1.088 18018 427 1 . 1 1 87 87 ALA CB C 87 17.072 17.072 18.070 -0.998 18018 428 1 . 1 1 87 87 ALA H H 87 8.206 8.206 7.775 0.431 18018 429 1 . 1 1 88 88 LYS N N 88 122.850 122.850 118.516 4.334 18018 430 1 . 1 1 88 88 LYS HA H 88 3.982 3.982 3.772 0.210 18018 431 1 . 1 1 88 88 LYS CA C 88 55.873 55.873 58.831 -2.958 18018 432 1 . 1 1 88 88 LYS CB C 88 29.823 29.823 31.661 -1.838 18018 433 1 . 1 1 88 88 LYS H H 88 8.145 8.145 7.997 0.148 18018 434 1 . 1 1 89 89 MET N N 89 118.786 118.786 118.997 -0.211 18018 435 1 . 1 1 89 89 MET HA H 89 3.810 3.810 4.076 -0.266 18018 436 1 . 1 1 89 89 MET CA C 89 60.096 60.096 58.712 1.384 18018 437 1 . 1 1 89 89 MET CB C 89 32.329 32.329 32.526 -0.197 18018 438 1 . 1 1 89 89 MET H H 89 8.468 8.468 8.062 0.406 18018 439 1 . 1 1 90 90 VAL N N 90 120.770 120.770 119.270 1.500 18018 440 1 . 1 1 90 90 VAL HA H 90 3.827 3.827 3.624 0.203 18018 441 1 . 1 1 90 90 VAL C C 90 178.017 178.017 178.144 -0.127 18018 442 1 . 1 1 90 90 VAL CA C 90 65.625 65.625 66.369 -0.744 18018 443 1 . 1 1 90 90 VAL CB C 90 31.739 31.739 31.487 0.252 18018 444 1 . 1 1 90 90 VAL H H 90 7.504 7.504 7.987 -0.483 18018 445 1 . 1 1 91 91 GLU N N 91 124.409 124.409 119.323 5.086 18018 446 1 . 1 1 91 91 GLU HA H 91 3.788 3.788 4.049 -0.261 18018 447 1 . 1 1 91 91 GLU C C 91 177.612 177.612 177.919 -0.307 18018 448 1 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.926 -0.512 18018 449 1 . 1 1 91 91 GLU CB C 91 31.444 31.444 29.421 2.024 18018 450 1 . 1 1 91 91 GLU H H 91 8.486 8.486 8.314 0.172 18018 451 1 . 1 1 92 92 LEU N N 92 114.680 114.680 117.500 -2.820 18018 452 1 . 1 1 92 92 LEU HA H 92 4.390 4.390 4.389 0.001 18018 453 1 . 1 1 92 92 LEU C C 92 177.928 177.928 178.487 -0.559 18018 454 1 . 1 1 92 92 LEU CA C 92 55.634 55.634 55.475 0.159 18018 455 1 . 1 1 92 92 LEU CB C 92 40.341 40.341 42.027 -1.686 18018 456 1 . 1 1 92 92 LEU H H 92 8.823 8.823 7.622 1.201 18018 457 1 . 1 1 93 93 ARG N N 93 123.603 123.603 121.000 2.603 18018 458 1 . 1 1 93 93 ARG HA H 93 3.943 3.943 4.106 -0.163 18018 459 1 . 1 1 93 93 ARG C C 93 176.350 176.350 178.053 -1.703 18018 460 1 . 1 1 93 93 ARG CA C 93 59.581 59.581 58.579 1.002 18018 461 1 . 1 1 93 93 ARG CB C 93 28.903 28.903 29.805 -0.902 18018 462 1 . 1 1 93 93 ARG H H 93 7.690 7.690 8.091 -0.401 18018 463 1 . 1 1 94 94 ALA N N 94 122.480 122.480 120.362 2.118 18018 464 1 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.223 0.038 18018 465 1 . 1 1 94 94 ALA C C 94 179.805 179.805 179.353 0.452 18018 466 1 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.948 -0.419 18018 467 1 . 1 1 94 94 ALA CB C 94 16.936 16.936 18.262 -1.326 18018 468 1 . 1 1 94 94 ALA H H 94 7.269 7.269 7.797 -0.528 18018 469 1 . 1 1 95 95 THR N N 95 116.936 116.936 114.719 2.217 18018 470 1 . 1 1 95 95 THR HA H 95 4.045 4.045 4.026 0.019 18018 471 1 . 1 1 95 95 THR C C 95 175.007 175.007 176.201 -1.194 18018 472 1 . 1 1 95 95 THR CA C 95 65.569 65.569 66.396 -0.827 18018 473 1 . 1 1 95 95 THR CB C 95 68.334 68.334 68.742 -0.408 18018 474 1 . 1 1 95 95 THR H H 95 8.282 8.282 8.001 0.281 18018 475 1 . 1 1 96 96 ALA N N 96 124.095 124.095 123.542 0.553 18018 476 1 . 1 1 96 96 ALA HA H 96 3.862 3.862 4.033 -0.171 18018 477 1 . 1 1 96 96 ALA C C 96 178.184 178.184 179.197 -1.013 18018 478 1 . 1 1 96 96 ALA CA C 96 54.749 54.749 54.745 0.004 18018 479 1 . 1 1 96 96 ALA CB C 96 18.770 18.770 18.277 0.493 18018 480 1 . 1 1 96 96 ALA H H 96 8.681 8.681 7.922 0.759 18018 481 1 . 1 1 97 97 ARG N N 97 117.328 117.328 117.964 -0.636 18018 482 1 . 1 1 97 97 ARG HA H 97 3.786 3.786 3.989 -0.203 18018 483 1 . 1 1 97 97 ARG C C 97 176.770 176.770 178.511 -1.741 18018 484 1 . 1 1 97 97 ARG CA C 97 59.561 59.561 59.384 0.177 18018 485 1 . 1 1 97 97 ARG CB C 97 29.616 29.616 30.028 -0.412 18018 486 1 . 1 1 97 97 ARG H H 97 8.070 8.070 7.799 0.271 18018 487 1 . 1 1 98 98 GLU N N 98 118.245 118.245 119.084 -0.839 18018 488 1 . 1 1 98 98 GLU HA H 98 4.115 4.115 4.125 -0.010 18018 489 1 . 1 1 98 98 GLU C C 98 178.865 178.865 178.836 0.029 18018 490 1 . 1 1 98 98 GLU CA C 98 58.489 58.489 58.799 -0.310 18018 491 1 . 1 1 98 98 GLU CB C 98 28.512 28.512 29.465 -0.953 18018 492 1 . 1 1 98 98 GLU H H 98 7.855 7.855 7.861 -0.006 18018 493 1 . 1 1 99 99 GLN N N 99 119.735 119.735 118.507 1.228 18018 494 1 . 1 1 99 99 GLN HA H 99 4.171 4.171 4.035 0.136 18018 495 1 . 1 1 99 99 GLN C C 99 178.146 178.146 178.277 -0.131 18018 496 1 . 1 1 99 99 GLN CA C 99 58.245 58.245 58.318 -0.073 18018 497 1 . 1 1 99 99 GLN CB C 99 27.094 27.094 28.572 -1.478 18018 498 1 . 1 1 99 99 GLN H H 99 8.312 8.312 8.180 0.132 18018 499 1 . 1 1 100 100 ILE N N 100 119.864 119.864 119.758 0.106 18018 500 1 . 1 1 100 100 ILE HA H 100 3.950 3.950 3.736 0.214 18018 501 1 . 1 1 100 100 ILE C C 100 178.315 178.315 178.190 0.125 18018 502 1 . 1 1 100 100 ILE CA C 100 61.604 61.604 63.835 -2.231 18018 503 1 . 1 1 100 100 ILE CB C 100 35.496 35.496 36.953 -1.457 18018 504 1 . 1 1 100 100 ILE H H 100 8.445 8.445 7.650 0.795 18018 505 1 . 1 1 101 101 ILE N N 101 120.514 120.514 118.377 2.137 18018 506 1 . 1 1 101 101 ILE HA H 101 4.012 4.012 3.790 0.222 18018 507 1 . 1 1 101 101 ILE C C 101 177.006 177.006 178.395 -1.389 18018 508 1 . 1 1 101 101 ILE CA C 101 62.977 62.977 63.105 -0.128 18018 509 1 . 1 1 101 101 ILE CB C 101 36.661 36.661 36.907 -0.246 18018 510 1 . 1 1 101 101 ILE H H 101 8.329 8.329 7.837 0.492 18018 511 1 . 1 1 102 102 SER N N 102 116.172 116.172 115.152 1.020 18018 512 1 . 1 1 102 102 SER HA H 102 4.562 4.562 4.270 0.292 18018 513 1 . 1 1 102 102 SER C C 102 173.845 173.845 175.501 -1.656 18018 514 1 . 1 1 102 102 SER CA C 102 59.502 59.502 60.639 -1.137 18018 515 1 . 1 1 102 102 SER CB C 102 63.012 63.012 63.151 -0.139 18018 516 1 . 1 1 102 102 SER H H 102 7.882 7.882 7.959 -0.077 18018 517 1 . 1 1 103 103 GLU N N 103 122.642 122.642 119.612 3.030 18018 518 1 . 1 1 103 103 GLU HA H 103 4.440 4.440 4.329 0.111 18018 519 1 . 1 1 103 103 GLU C C 103 175.095 175.095 176.767 -1.672 18018 520 1 . 1 1 103 103 GLU CA C 103 55.628 55.628 56.248 -0.620 18018 521 1 . 1 1 103 103 GLU CB C 103 29.813 29.813 30.321 -0.508 18018 522 1 . 1 1 103 103 GLU H H 103 7.735 7.735 7.724 0.011 18018 stop_ save_