data_18349 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18349 _Entry.PDB_ID 2LR6 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 18349 _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 3 3 LEU HA H 3 4.251 4.251 4.728 -0.477 18349 2 1 1 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.831 0.504 18349 3 1 1 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.883 -0.582 18349 4 1 1 . 1 1 4 4 MET N N 4 121.761 121.761 121.989 -0.228 18349 5 1 1 . 1 1 4 4 MET HA H 4 4.422 4.422 4.693 -0.271 18349 6 1 1 . 1 1 4 4 MET CA C 4 55.404 55.404 55.078 0.327 18349 7 1 1 . 1 1 4 4 MET CB C 4 33.059 33.059 33.543 -0.484 18349 8 1 1 . 1 1 5 5 ASP N N 5 122.449 122.449 122.428 0.021 18349 9 1 1 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.764 -0.185 18349 10 1 1 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.746 0.950 18349 11 1 1 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.884 -0.577 18349 12 1 1 . 1 1 6 6 GLU N N 6 121.856 121.856 119.448 2.408 18349 13 1 1 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.721 -0.447 18349 14 1 1 . 1 1 6 6 GLU CA C 6 56.907 56.907 54.864 2.043 18349 15 1 1 . 1 1 6 6 GLU CB C 6 30.047 30.047 31.717 -1.670 18349 16 1 1 . 1 1 7 7 GLY N N 7 110.268 110.268 108.567 1.701 18349 17 1 1 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.810 0.728 18349 18 1 1 . 1 1 8 8 ALA N N 8 123.141 123.141 122.967 0.174 18349 19 1 1 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.737 -0.214 18349 20 1 1 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.597 0.253 18349 21 1 1 . 1 1 8 8 ALA CB C 8 20.732 20.732 19.552 1.180 18349 22 1 1 . 1 1 9 9 VAL N N 9 120.521 120.521 121.992 -1.471 18349 23 1 1 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.514 -0.295 18349 24 1 1 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.730 0.172 18349 25 1 1 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.767 1.169 18349 26 1 1 . 1 1 10 10 LEU N N 10 128.790 128.790 125.564 3.226 18349 27 1 1 . 1 1 10 10 LEU HA H 10 4.659 4.659 5.015 -0.356 18349 28 1 1 . 1 1 10 10 LEU CA C 10 54.202 54.202 53.899 0.303 18349 29 1 1 . 1 1 10 10 LEU CB C 10 43.815 43.815 43.445 0.370 18349 30 1 1 . 1 1 11 11 THR HA H 11 5.349 5.349 4.616 0.733 18349 31 1 1 . 1 1 11 11 THR CA C 11 60.386 60.386 61.567 -1.181 18349 32 1 1 . 1 1 11 11 THR CB C 11 72.001 72.001 70.408 1.593 18349 33 1 1 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.649 -0.188 18349 34 1 1 . 1 1 12 12 LEU CA C 12 54.421 54.421 53.917 0.504 18349 35 1 1 . 1 1 12 12 LEU CB C 12 43.433 43.433 44.694 -1.261 18349 36 1 1 . 1 1 13 13 ALA N N 13 125.942 125.942 126.625 -0.683 18349 37 1 1 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.334 -0.023 18349 38 1 1 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.783 0.190 18349 39 1 1 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.310 0.948 18349 40 1 1 . 1 1 14 14 ALA N N 14 125.619 125.619 127.612 -1.993 18349 41 1 1 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.210 -0.089 18349 42 1 1 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.001 2.676 18349 43 1 1 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.358 0.008 18349 44 1 1 . 1 1 15 15 ASP N N 15 114.584 114.584 120.698 -6.114 18349 45 1 1 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.219 0.263 18349 46 1 1 . 1 1 15 15 ASP CA C 15 52.858 52.858 56.642 -3.784 18349 47 1 1 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.352 0.712 18349 48 1 1 . 1 1 16 16 LEU N N 16 115.700 115.700 118.920 -3.220 18349 49 1 1 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.191 -0.524 18349 50 1 1 . 1 1 16 16 LEU CA C 16 56.389 56.389 56.655 -0.266 18349 51 1 1 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.359 -2.098 18349 52 1 1 . 1 1 17 17 SER N N 17 112.160 112.160 112.501 -0.341 18349 53 1 1 . 1 1 17 17 SER HA H 17 4.389 4.389 4.444 -0.055 18349 54 1 1 . 1 1 17 17 SER CA C 17 59.732 59.732 58.721 1.011 18349 55 1 1 . 1 1 17 17 SER CB C 17 64.092 64.092 64.083 0.009 18349 56 1 1 . 1 1 18 18 SER N N 18 114.973 114.973 115.457 -0.484 18349 57 1 1 . 1 1 18 18 SER HA H 18 5.024 5.024 4.710 0.314 18349 58 1 1 . 1 1 18 18 SER CA C 18 56.996 56.996 57.480 -0.484 18349 59 1 1 . 1 1 18 18 SER CB C 18 65.549 65.549 66.198 -0.649 18349 60 1 1 . 1 1 19 19 ALA N N 19 122.800 122.800 125.167 -2.367 18349 61 1 1 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.425 0.568 18349 62 1 1 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.608 -1.971 18349 63 1 1 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.009 4.512 18349 64 1 1 . 1 1 20 20 THR N N 20 115.578 115.578 120.880 -5.302 18349 65 1 1 . 1 1 20 20 THR HA H 20 5.016 5.016 4.365 0.651 18349 66 1 1 . 1 1 20 20 THR CA C 20 61.219 61.219 62.952 -1.733 18349 67 1 1 . 1 1 20 20 THR CB C 20 71.159 71.159 68.976 2.183 18349 68 1 1 . 1 1 21 21 LEU N N 21 126.796 126.796 127.128 -0.332 18349 69 1 1 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.639 0.082 18349 70 1 1 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.459 -0.780 18349 71 1 1 . 1 1 21 21 LEU CB C 21 44.900 44.900 45.185 -0.285 18349 72 1 1 . 1 1 22 22 ASP N N 22 124.700 124.700 124.432 0.268 18349 73 1 1 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.717 0.040 18349 74 1 1 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.938 0.079 18349 75 1 1 . 1 1 22 22 ASP CB C 22 41.983 41.983 42.022 -0.039 18349 76 1 1 . 1 1 23 23 ILE N N 23 124.629 124.629 122.448 2.181 18349 77 1 1 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.233 -0.202 18349 78 1 1 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.598 -0.969 18349 79 1 1 . 1 1 23 23 ILE CB C 23 38.062 38.062 40.050 -1.988 18349 80 1 1 . 1 1 24 24 SER N N 24 125.361 125.361 124.964 0.397 18349 81 1 1 . 1 1 24 24 SER HA H 24 4.398 4.398 4.543 -0.145 18349 82 1 1 . 1 1 24 24 SER CA C 24 58.184 58.184 58.895 -0.711 18349 83 1 1 . 1 1 24 24 SER CB C 24 64.557 64.557 63.184 1.373 18349 84 1 1 . 1 1 25 25 LYS N N 25 124.630 124.630 125.423 -0.793 18349 85 1 1 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.407 -0.226 18349 86 1 1 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.755 2.672 18349 87 1 1 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.298 -0.256 18349 88 1 1 . 1 1 26 26 GLN N N 26 117.379 117.379 118.475 -1.096 18349 89 1 1 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.273 -0.207 18349 90 1 1 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.889 3.432 18349 91 1 1 . 1 1 26 26 GLN CB C 26 28.773 28.773 29.477 -0.705 18349 92 1 1 . 1 1 27 27 TRP N N 27 118.412 118.412 120.342 -1.930 18349 93 1 1 . 1 1 27 27 TRP HA H 27 4.561 4.561 5.018 -0.457 18349 94 1 1 . 1 1 27 27 TRP CA C 27 60.228 60.228 56.986 3.242 18349 95 1 1 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.740 0.381 18349 96 1 1 . 1 1 28 28 SER N N 28 117.604 117.604 115.803 1.801 18349 97 1 1 . 1 1 28 28 SER HA H 28 4.009 4.009 4.317 -0.308 18349 98 1 1 . 1 1 28 28 SER CA C 28 62.130 62.130 59.773 2.357 18349 99 1 1 . 1 1 28 28 SER CB C 28 62.273 62.273 63.335 -1.062 18349 100 1 1 . 1 1 29 29 ASN N N 29 121.383 121.383 120.708 0.675 18349 101 1 1 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.657 -0.062 18349 102 1 1 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.170 2.654 18349 103 1 1 . 1 1 29 29 ASN CB C 29 38.163 38.163 38.258 -0.095 18349 104 1 1 . 1 1 30 30 VAL CA C 30 56.222 56.222 61.066 -4.844 18349 105 1 1 . 1 1 30 30 VAL CB C 30 29.494 29.494 30.685 -1.191 18349 106 1 1 . 1 1 31 31 PHE N N 31 121.135 121.135 119.051 2.084 18349 107 1 1 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.005 -0.488 18349 108 1 1 . 1 1 31 31 PHE CA C 31 62.835 62.835 57.994 4.841 18349 109 1 1 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.319 3.837 18349 110 1 1 . 1 1 32 32 ASN N N 32 117.099 117.099 118.901 -1.802 18349 111 1 1 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.315 0.053 18349 112 1 1 . 1 1 32 32 ASN CA C 32 57.015 57.015 55.875 1.140 18349 113 1 1 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.604 0.235 18349 114 1 1 . 1 1 33 33 ILE N N 33 120.541 120.541 118.934 1.607 18349 115 1 1 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.974 -0.185 18349 116 1 1 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.105 0.415 18349 117 1 1 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.776 0.562 18349 118 1 1 . 1 1 34 34 LEU N N 34 121.099 121.099 119.077 2.022 18349 119 1 1 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.782 0.076 18349 120 1 1 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.938 -0.119 18349 121 1 1 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.117 -0.452 18349 122 1 1 . 1 1 35 35 ARG N N 35 122.638 122.638 120.122 2.516 18349 123 1 1 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.119 -0.263 18349 124 1 1 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.569 -0.448 18349 125 1 1 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.226 -0.377 18349 126 1 1 . 1 1 36 36 GLU N N 36 120.533 120.533 119.218 1.315 18349 127 1 1 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.219 -0.109 18349 128 1 1 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.925 -0.715 18349 129 1 1 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.644 0.085 18349 130 1 1 . 1 1 37 37 ASN N N 37 115.321 115.321 114.595 0.726 18349 131 1 1 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.955 -0.117 18349 132 1 1 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.717 0.027 18349 133 1 1 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.622 0.924 18349 134 1 1 . 1 1 38 38 ASP N N 38 111.921 111.921 117.563 -5.642 18349 135 1 1 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.488 0.197 18349 136 1 1 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.626 0.885 18349 137 1 1 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.645 -0.443 18349 138 1 1 . 1 1 39 39 PHE N N 39 114.378 114.378 118.163 -3.785 18349 139 1 1 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.411 0.173 18349 140 1 1 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.353 1.065 18349 141 1 1 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.282 -0.317 18349 142 1 1 . 1 1 40 40 GLU N N 40 115.531 115.531 118.452 -2.921 18349 143 1 1 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.147 -0.239 18349 144 1 1 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.990 0.265 18349 145 1 1 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.004 -0.278 18349 146 1 1 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.535 0.758 18349 147 1 1 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.389 -0.490 18349 148 1 1 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.479 0.672 18349 149 1 1 . 1 1 42 42 LYS N N 42 118.255 118.255 119.504 -1.249 18349 150 1 1 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.454 0.246 18349 151 1 1 . 1 1 42 42 LYS CA C 42 55.476 55.476 56.230 -0.754 18349 152 1 1 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.402 3.321 18349 153 1 1 . 1 1 43 43 PHE N N 43 122.245 122.245 116.440 5.805 18349 154 1 1 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.402 1.043 18349 155 1 1 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.171 -0.675 18349 156 1 1 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.689 1.440 18349 157 1 1 . 1 1 44 44 LEU N N 44 124.272 124.272 125.097 -0.825 18349 158 1 1 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.392 0.421 18349 159 1 1 . 1 1 44 44 LEU CA C 44 53.210 53.210 55.325 -2.115 18349 160 1 1 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.013 3.352 18349 161 1 1 . 1 1 45 45 CYS N N 45 120.218 120.218 124.116 -3.898 18349 162 1 1 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.608 0.582 18349 163 1 1 . 1 1 45 45 CYS CA C 45 56.881 56.881 57.494 -0.613 18349 164 1 1 . 1 1 45 45 CYS CB C 45 30.509 30.509 30.642 -0.133 18349 165 1 1 . 1 1 46 46 GLU N N 46 127.444 127.444 123.576 3.868 18349 166 1 1 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.383 0.219 18349 167 1 1 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.102 -0.904 18349 168 1 1 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.157 4.221 18349 169 1 1 . 1 1 47 47 VAL N N 47 126.664 126.664 123.401 3.263 18349 170 1 1 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.013 0.719 18349 171 1 1 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.165 -1.055 18349 172 1 1 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.833 0.631 18349 173 1 1 . 1 1 48 48 LYS N N 48 124.434 124.434 125.144 -0.710 18349 174 1 1 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.570 0.297 18349 175 1 1 . 1 1 48 48 LYS CA C 48 54.152 54.152 55.728 -1.576 18349 176 1 1 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.591 4.180 18349 177 1 1 . 1 1 49 49 LEU N N 49 124.048 124.048 126.799 -2.751 18349 178 1 1 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.397 0.514 18349 179 1 1 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.539 -0.572 18349 180 1 1 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.110 4.871 18349 181 1 1 . 1 1 50 50 ALA N N 50 130.149 130.149 128.723 1.426 18349 182 1 1 . 1 1 50 50 ALA HA H 50 5.840 5.840 5.404 0.436 18349 183 1 1 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.760 -1.484 18349 184 1 1 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.809 4.225 18349 185 1 1 . 1 1 51 51 PHE N N 51 115.001 115.001 121.235 -6.234 18349 186 1 1 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.056 -0.245 18349 187 1 1 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.074 1.661 18349 188 1 1 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.388 -2.126 18349 189 1 1 . 1 1 52 52 LYS N N 52 122.139 122.139 122.791 -0.652 18349 190 1 1 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.653 0.251 18349 191 1 1 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.955 -0.585 18349 192 1 1 . 1 1 52 52 LYS CB C 52 34.075 34.075 31.855 2.220 18349 193 1 1 . 1 1 53 53 CYS N N 53 125.893 125.893 127.746 -1.853 18349 194 1 1 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.782 0.019 18349 195 1 1 . 1 1 53 53 CYS CA C 53 58.656 58.656 57.963 0.693 18349 196 1 1 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.434 -0.480 18349 197 1 1 . 1 1 54 54 ASP N N 54 131.027 131.027 128.602 2.425 18349 198 1 1 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.387 -0.031 18349 199 1 1 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.372 0.417 18349 200 1 1 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.746 -0.904 18349 201 1 1 . 1 1 55 55 GLY N N 55 104.172 104.172 104.971 -0.799 18349 202 1 1 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.032 0.653 18349 203 1 1 . 1 1 56 56 GLU N N 56 120.557 120.557 120.140 0.417 18349 204 1 1 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.831 -0.192 18349 205 1 1 . 1 1 56 56 GLU CA C 56 54.069 54.069 53.955 0.114 18349 206 1 1 . 1 1 56 56 GLU CB C 56 33.498 33.498 32.047 1.451 18349 207 1 1 . 1 1 57 57 ILE N N 57 123.029 123.029 122.897 0.132 18349 208 1 1 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.591 -0.235 18349 209 1 1 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.842 -0.033 18349 210 1 1 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.828 0.048 18349 211 1 1 . 1 1 58 58 LYS N N 58 130.275 130.275 129.329 0.946 18349 212 1 1 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.392 -0.202 18349 213 1 1 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.145 -0.886 18349 214 1 1 . 1 1 58 58 LYS CB C 58 33.114 33.114 34.058 -0.944 18349 215 1 1 . 1 1 59 59 THR N N 59 112.811 112.811 114.069 -1.258 18349 216 1 1 . 1 1 59 59 THR HA H 59 5.100 5.100 4.803 0.297 18349 217 1 1 . 1 1 59 59 THR CA C 59 60.409 60.409 60.883 -0.474 18349 218 1 1 . 1 1 59 59 THR CB C 59 70.886 70.886 68.987 1.899 18349 219 1 1 . 1 1 60 60 PHE N N 60 121.789 121.789 126.869 -5.080 18349 220 1 1 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.704 0.064 18349 221 1 1 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.154 0.469 18349 222 1 1 . 1 1 60 60 PHE CB C 60 44.138 44.138 39.924 4.214 18349 223 1 1 . 1 1 61 61 SER N N 61 116.498 116.498 118.175 -1.677 18349 224 1 1 . 1 1 61 61 SER HA H 61 4.876 4.876 4.598 0.278 18349 225 1 1 . 1 1 61 61 SER CA C 61 58.232 58.232 59.414 -1.182 18349 226 1 1 . 1 1 61 61 SER CB C 61 64.611 64.611 64.062 0.549 18349 227 1 1 . 1 1 62 62 ASP N N 62 117.813 117.813 120.669 -2.856 18349 228 1 1 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.888 0.188 18349 229 1 1 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.156 0.090 18349 230 1 1 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.398 1.777 18349 231 1 1 . 1 1 63 63 LEU N N 63 122.385 122.385 126.401 -4.016 18349 232 1 1 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.143 -0.320 18349 233 1 1 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.164 -0.346 18349 234 1 1 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.055 -0.080 18349 235 1 1 . 1 1 64 64 GLN N N 64 121.981 121.981 120.123 1.858 18349 236 1 1 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.059 -0.049 18349 237 1 1 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.041 0.338 18349 238 1 1 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.037 -0.442 18349 239 1 1 . 1 1 65 65 SER N N 65 118.758 118.758 115.475 3.283 18349 240 1 1 . 1 1 65 65 SER HA H 65 4.220 4.220 4.295 -0.075 18349 241 1 1 . 1 1 65 65 SER CA C 65 62.205 62.205 61.627 0.578 18349 242 1 1 . 1 1 65 65 SER CB C 65 62.355 62.355 62.915 -0.560 18349 243 1 1 . 1 1 66 66 LEU N N 66 125.879 125.879 123.568 2.311 18349 244 1 1 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.829 -0.648 18349 245 1 1 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.046 1.093 18349 246 1 1 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.362 -0.093 18349 247 1 1 . 1 1 67 67 ARG N N 67 121.270 121.270 119.718 1.552 18349 248 1 1 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.916 -0.305 18349 249 1 1 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.846 0.149 18349 250 1 1 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.883 -0.058 18349 251 1 1 . 1 1 68 68 LYS N N 68 120.624 120.624 117.590 3.034 18349 252 1 1 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.146 -0.195 18349 253 1 1 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.124 0.358 18349 254 1 1 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.300 -0.007 18349 255 1 1 . 1 1 69 69 PHE N N 69 122.104 122.104 120.438 1.666 18349 256 1 1 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.434 -0.178 18349 257 1 1 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.075 1.140 18349 258 1 1 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.911 0.260 18349 259 1 1 . 1 1 70 70 ALA N N 70 121.297 121.297 120.179 1.118 18349 260 1 1 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.815 -0.083 18349 261 1 1 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.343 0.112 18349 262 1 1 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.492 0.205 18349 263 1 1 . 1 1 71 71 SER N N 71 109.734 109.734 113.022 -3.288 18349 264 1 1 . 1 1 71 71 SER HA H 71 3.948 3.948 4.157 -0.209 18349 265 1 1 . 1 1 71 71 SER CA C 71 60.995 60.995 61.222 -0.227 18349 266 1 1 . 1 1 71 71 SER CB C 71 63.451 63.451 63.490 -0.039 18349 267 1 1 . 1 1 72 72 GLN N N 72 118.485 118.485 119.327 -0.842 18349 268 1 1 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.312 -0.005 18349 269 1 1 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.378 -1.234 18349 270 1 1 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.054 0.565 18349 271 1 1 . 1 1 73 73 LYS N N 73 121.680 121.680 122.668 -0.988 18349 272 1 1 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.258 0.339 18349 273 1 1 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.587 -1.368 18349 274 1 1 . 1 1 73 73 LYS CB C 73 33.143 33.143 31.122 2.021 18349 275 1 1 . 1 1 74 74 SER CA C 74 62.000 62.000 61.462 0.538 18349 276 1 1 . 1 1 74 74 SER CB C 74 62.392 62.392 62.845 -0.453 18349 277 1 1 . 1 1 75 75 SER N N 75 115.269 115.269 117.302 -2.033 18349 278 1 1 . 1 1 75 75 SER HA H 75 4.299 4.299 4.171 0.128 18349 279 1 1 . 1 1 75 75 SER CA C 75 59.939 59.939 61.735 -1.796 18349 280 1 1 . 1 1 75 75 SER CB C 75 62.592 62.592 62.731 -0.139 18349 281 1 1 . 1 1 76 76 MET N N 76 119.989 119.989 120.596 -0.607 18349 282 1 1 . 1 1 76 76 MET HA H 76 4.338 4.338 4.423 -0.085 18349 283 1 1 . 1 1 76 76 MET CA C 76 57.159 57.159 57.708 -0.549 18349 284 1 1 . 1 1 76 76 MET CB C 76 34.819 34.819 32.223 2.596 18349 285 1 1 . 1 1 77 77 LYS N N 77 121.432 121.432 120.879 0.553 18349 286 1 1 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.031 -0.418 18349 287 1 1 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.496 0.637 18349 288 1 1 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.275 -0.016 18349 289 1 1 . 1 1 78 78 GLU N N 78 117.200 117.200 116.457 0.743 18349 290 1 1 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.197 -0.068 18349 291 1 1 . 1 1 78 78 GLU CA C 78 57.530 57.530 57.258 0.272 18349 292 1 1 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.940 -0.415 18349 293 1 1 . 1 1 79 79 LEU N N 79 119.315 119.315 118.096 1.219 18349 294 1 1 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.270 -0.246 18349 295 1 1 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.515 0.567 18349 296 1 1 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.984 -0.113 18349 297 1 1 . 1 1 80 80 LEU N N 80 114.760 114.760 116.837 -2.077 18349 298 1 1 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.277 0.019 18349 299 1 1 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.778 -1.904 18349 300 1 1 . 1 1 80 80 LEU CB C 80 41.708 41.708 41.146 0.562 18349 301 1 1 . 1 1 81 81 LYS N N 81 120.468 120.468 118.651 1.817 18349 302 1 1 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.118 -0.206 18349 303 1 1 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.702 0.499 18349 304 1 1 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.515 0.894 18349 305 1 1 . 1 1 82 82 ASP N N 82 118.031 118.031 118.755 -0.724 18349 306 1 1 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.486 0.207 18349 307 1 1 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.378 -1.260 18349 308 1 1 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.794 -0.349 18349 309 1 1 . 1 1 83 83 VAL N N 83 115.842 115.842 113.476 2.366 18349 310 1 1 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.219 -0.027 18349 311 1 1 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.789 -0.977 18349 312 1 1 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.376 -0.623 18349 313 1 1 . 1 1 84 84 LEU N N 84 123.084 123.084 122.110 0.974 18349 314 1 1 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.848 -0.306 18349 315 1 1 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.847 0.191 18349 316 1 1 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.708 -0.568 18349 317 1 1 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.384 -0.048 18349 318 1 1 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.292 -0.439 18349 319 1 1 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.473 0.705 18349 320 1 1 . 1 1 86 86 GLN N N 86 121.533 121.533 122.988 -1.455 18349 321 1 1 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.535 -0.391 18349 322 1 1 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.834 0.855 18349 323 1 1 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.466 -0.848 18349 324 1 1 . 1 1 87 87 LYS N N 87 123.688 123.688 122.939 0.749 18349 325 1 1 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.382 -0.136 18349 326 1 1 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.709 -0.468 18349 327 1 1 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.151 0.377 18349 328 1 2 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.579 -0.328 18349 329 1 2 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.691 0.644 18349 330 1 2 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.578 -0.277 18349 331 1 2 . 1 1 4 4 MET N N 4 121.761 121.761 122.795 -1.034 18349 332 1 2 . 1 1 4 4 MET HA H 4 4.422 4.422 4.479 -0.057 18349 333 1 2 . 1 1 4 4 MET CA C 4 55.404 55.404 54.780 0.624 18349 334 1 2 . 1 1 4 4 MET CB C 4 33.059 33.059 32.500 0.559 18349 335 1 2 . 1 1 5 5 ASP N N 5 122.449 122.449 124.981 -2.532 18349 336 1 2 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.520 0.059 18349 337 1 2 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.009 0.687 18349 338 1 2 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.064 0.243 18349 339 1 2 . 1 1 6 6 GLU N N 6 121.856 121.856 123.362 -1.506 18349 340 1 2 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.354 -0.080 18349 341 1 2 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.226 0.681 18349 342 1 2 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.013 0.034 18349 343 1 2 . 1 1 7 7 GLY N N 7 110.268 110.268 112.887 -2.619 18349 344 1 2 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.678 0.860 18349 345 1 2 . 1 1 8 8 ALA N N 8 123.141 123.141 123.982 -0.841 18349 346 1 2 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.685 -0.162 18349 347 1 2 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.648 0.202 18349 348 1 2 . 1 1 8 8 ALA CB C 8 20.732 20.732 21.002 -0.270 18349 349 1 2 . 1 1 9 9 VAL N N 9 120.521 120.521 123.879 -3.358 18349 350 1 2 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.116 0.103 18349 351 1 2 . 1 1 9 9 VAL CA C 9 61.901 61.901 62.149 -0.248 18349 352 1 2 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.304 1.632 18349 353 1 2 . 1 1 10 10 LEU N N 10 128.790 128.790 128.448 0.342 18349 354 1 2 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.436 0.223 18349 355 1 2 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.536 -0.334 18349 356 1 2 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.261 1.554 18349 357 1 2 . 1 1 11 11 THR HA H 11 5.349 5.349 4.184 1.165 18349 358 1 2 . 1 1 11 11 THR CA C 11 60.386 60.386 62.286 -1.900 18349 359 1 2 . 1 1 11 11 THR CB C 11 72.001 72.001 69.136 2.865 18349 360 1 2 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.406 0.055 18349 361 1 2 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.875 -0.454 18349 362 1 2 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.401 1.032 18349 363 1 2 . 1 1 13 13 ALA N N 13 125.942 125.942 128.875 -2.933 18349 364 1 2 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.207 0.104 18349 365 1 2 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.392 -0.418 18349 366 1 2 . 1 1 13 13 ALA CB C 13 20.258 20.258 18.685 1.573 18349 367 1 2 . 1 1 14 14 ALA N N 14 125.619 125.619 121.788 3.831 18349 368 1 2 . 1 1 14 14 ALA HA H 14 4.121 4.121 3.839 0.282 18349 369 1 2 . 1 1 14 14 ALA CA C 14 54.677 54.677 53.960 0.717 18349 370 1 2 . 1 1 14 14 ALA CB C 14 18.366 18.366 17.511 0.855 18349 371 1 2 . 1 1 15 15 ASP N N 15 114.584 114.584 121.714 -7.130 18349 372 1 2 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.656 -0.174 18349 373 1 2 . 1 1 15 15 ASP CA C 15 52.858 52.858 53.249 -0.391 18349 374 1 2 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.160 -0.096 18349 375 1 2 . 1 1 16 16 LEU N N 16 115.700 115.700 118.014 -2.314 18349 376 1 2 . 1 1 16 16 LEU HA H 16 3.667 3.667 3.895 -0.228 18349 377 1 2 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.670 0.719 18349 378 1 2 . 1 1 16 16 LEU CB C 16 40.261 40.261 40.358 -0.097 18349 379 1 2 . 1 1 17 17 SER N N 17 112.160 112.160 113.809 -1.649 18349 380 1 2 . 1 1 17 17 SER HA H 17 4.389 4.389 4.250 0.139 18349 381 1 2 . 1 1 17 17 SER CA C 17 59.732 59.732 59.825 -0.093 18349 382 1 2 . 1 1 17 17 SER CB C 17 64.092 64.092 63.160 0.932 18349 383 1 2 . 1 1 18 18 SER N N 18 114.973 114.973 113.423 1.550 18349 384 1 2 . 1 1 18 18 SER HA H 18 5.024 5.024 4.495 0.529 18349 385 1 2 . 1 1 18 18 SER CA C 18 56.996 56.996 57.942 -0.946 18349 386 1 2 . 1 1 18 18 SER CB C 18 65.549 65.549 64.669 0.880 18349 387 1 2 . 1 1 19 19 ALA N N 19 122.800 122.800 128.066 -5.266 18349 388 1 2 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.589 0.404 18349 389 1 2 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.850 -1.213 18349 390 1 2 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.373 4.148 18349 391 1 2 . 1 1 20 20 THR N N 20 115.578 115.578 118.251 -2.673 18349 392 1 2 . 1 1 20 20 THR HA H 20 5.016 5.016 4.538 0.478 18349 393 1 2 . 1 1 20 20 THR CA C 20 61.219 61.219 61.967 -0.748 18349 394 1 2 . 1 1 20 20 THR CB C 20 71.159 71.159 69.519 1.640 18349 395 1 2 . 1 1 21 21 LEU N N 21 126.796 126.796 125.518 1.278 18349 396 1 2 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.573 0.148 18349 397 1 2 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.849 -1.170 18349 398 1 2 . 1 1 21 21 LEU CB C 21 44.900 44.900 43.020 1.880 18349 399 1 2 . 1 1 22 22 ASP N N 22 124.700 124.700 120.109 4.591 18349 400 1 2 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.828 -0.071 18349 401 1 2 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.468 0.549 18349 402 1 2 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.111 -1.128 18349 403 1 2 . 1 1 23 23 ILE N N 23 124.629 124.629 124.100 0.529 18349 404 1 2 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.554 -0.523 18349 405 1 2 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.616 -0.987 18349 406 1 2 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.669 -1.607 18349 407 1 2 . 1 1 24 24 SER N N 24 125.361 125.361 123.682 1.679 18349 408 1 2 . 1 1 24 24 SER HA H 24 4.398 4.398 4.737 -0.340 18349 409 1 2 . 1 1 24 24 SER CA C 24 58.184 58.184 57.554 0.630 18349 410 1 2 . 1 1 24 24 SER CB C 24 64.557 64.557 64.548 0.009 18349 411 1 2 . 1 1 25 25 LYS N N 25 124.630 124.630 124.377 0.253 18349 412 1 2 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.317 -0.136 18349 413 1 2 . 1 1 25 25 LYS CA C 25 58.427 58.427 54.858 3.569 18349 414 1 2 . 1 1 25 25 LYS CB C 25 32.042 32.042 30.981 1.061 18349 415 1 2 . 1 1 26 26 GLN N N 26 117.379 117.379 120.184 -2.805 18349 416 1 2 . 1 1 26 26 GLN HA H 26 4.066 4.066 3.882 0.184 18349 417 1 2 . 1 1 26 26 GLN CA C 26 59.321 59.321 56.536 2.785 18349 418 1 2 . 1 1 26 26 GLN CB C 26 28.773 28.773 27.134 1.639 18349 419 1 2 . 1 1 27 27 TRP N N 27 118.412 118.412 125.787 -7.375 18349 420 1 2 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.695 -0.134 18349 421 1 2 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.442 2.786 18349 422 1 2 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.631 0.490 18349 423 1 2 . 1 1 28 28 SER N N 28 117.604 117.604 115.526 2.078 18349 424 1 2 . 1 1 28 28 SER HA H 28 4.009 4.009 4.592 -0.583 18349 425 1 2 . 1 1 28 28 SER CA C 28 62.130 62.130 57.926 4.204 18349 426 1 2 . 1 1 28 28 SER CB C 28 62.273 62.273 62.875 -0.602 18349 427 1 2 . 1 1 29 29 ASN N N 29 121.383 121.383 121.024 0.359 18349 428 1 2 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.373 0.222 18349 429 1 2 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.041 2.784 18349 430 1 2 . 1 1 29 29 ASN CB C 29 38.163 38.163 36.873 1.290 18349 431 1 2 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.821 -7.599 18349 432 1 2 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.739 -3.245 18349 433 1 2 . 1 1 31 31 PHE N N 31 121.135 121.135 118.993 2.142 18349 434 1 2 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.279 -0.762 18349 435 1 2 . 1 1 31 31 PHE CA C 31 62.835 62.835 59.803 3.032 18349 436 1 2 . 1 1 31 31 PHE CB C 31 40.156 40.156 37.941 2.215 18349 437 1 2 . 1 1 32 32 ASN N N 32 117.099 117.099 118.566 -1.467 18349 438 1 2 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.166 0.202 18349 439 1 2 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.247 0.768 18349 440 1 2 . 1 1 32 32 ASN CB C 32 38.839 38.839 37.964 0.875 18349 441 1 2 . 1 1 33 33 ILE N N 33 120.541 120.541 119.266 1.275 18349 442 1 2 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.662 0.127 18349 443 1 2 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.880 0.640 18349 444 1 2 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.951 1.388 18349 445 1 2 . 1 1 34 34 LEU N N 34 121.099 121.099 118.536 2.563 18349 446 1 2 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.574 0.284 18349 447 1 2 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.694 0.125 18349 448 1 2 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.078 -0.413 18349 449 1 2 . 1 1 35 35 ARG N N 35 122.638 122.638 119.823 2.815 18349 450 1 2 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.040 -0.184 18349 451 1 2 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.583 -0.462 18349 452 1 2 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.283 -0.434 18349 453 1 2 . 1 1 36 36 GLU N N 36 120.533 120.533 118.006 2.527 18349 454 1 2 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.204 -0.094 18349 455 1 2 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.234 -0.024 18349 456 1 2 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.397 0.332 18349 457 1 2 . 1 1 37 37 ASN N N 37 115.321 115.321 115.261 0.060 18349 458 1 2 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.889 -0.051 18349 459 1 2 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.506 0.238 18349 460 1 2 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.457 1.089 18349 461 1 2 . 1 1 38 38 ASP N N 38 111.921 111.921 117.396 -5.475 18349 462 1 2 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.503 0.182 18349 463 1 2 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.666 0.845 18349 464 1 2 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.619 -0.417 18349 465 1 2 . 1 1 39 39 PHE N N 39 114.378 114.378 117.792 -3.414 18349 466 1 2 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.423 0.162 18349 467 1 2 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.797 1.621 18349 468 1 2 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.324 -0.359 18349 469 1 2 . 1 1 40 40 GLU N N 40 115.531 115.531 118.823 -3.292 18349 470 1 2 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.202 -0.294 18349 471 1 2 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.175 0.080 18349 472 1 2 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.714 0.012 18349 473 1 2 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.623 0.670 18349 474 1 2 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.849 -0.950 18349 475 1 2 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.700 0.452 18349 476 1 2 . 1 1 42 42 LYS N N 42 118.255 118.255 120.898 -2.643 18349 477 1 2 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.487 0.213 18349 478 1 2 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.974 -0.498 18349 479 1 2 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.458 3.265 18349 480 1 2 . 1 1 43 43 PHE N N 43 122.245 122.245 121.189 1.056 18349 481 1 2 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.400 1.045 18349 482 1 2 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.284 0.212 18349 483 1 2 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.278 1.851 18349 484 1 2 . 1 1 44 44 LEU N N 44 124.272 124.272 124.182 0.090 18349 485 1 2 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.285 0.528 18349 486 1 2 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.751 -1.541 18349 487 1 2 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.355 3.010 18349 488 1 2 . 1 1 45 45 CYS N N 45 120.218 120.218 128.118 -7.900 18349 489 1 2 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.312 0.878 18349 490 1 2 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.930 -2.049 18349 491 1 2 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.448 3.061 18349 492 1 2 . 1 1 46 46 GLU N N 46 127.444 127.444 123.842 3.602 18349 493 1 2 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.280 0.322 18349 494 1 2 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.132 -0.934 18349 495 1 2 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.595 2.783 18349 496 1 2 . 1 1 47 47 VAL N N 47 126.664 126.664 122.405 4.259 18349 497 1 2 . 1 1 47 47 VAL HA H 47 4.732 4.732 3.980 0.752 18349 498 1 2 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.654 -1.544 18349 499 1 2 . 1 1 47 47 VAL CB C 47 33.464 33.464 30.860 2.604 18349 500 1 2 . 1 1 48 48 LYS N N 48 124.434 124.434 126.854 -2.420 18349 501 1 2 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.920 -0.053 18349 502 1 2 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.515 -0.363 18349 503 1 2 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.313 3.458 18349 504 1 2 . 1 1 49 49 LEU N N 49 124.048 124.048 121.487 2.561 18349 505 1 2 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.760 0.151 18349 506 1 2 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.351 -0.384 18349 507 1 2 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.540 5.441 18349 508 1 2 . 1 1 50 50 ALA N N 50 130.149 130.149 127.653 2.496 18349 509 1 2 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.505 1.335 18349 510 1 2 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.617 -1.343 18349 511 1 2 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.156 4.878 18349 512 1 2 . 1 1 51 51 PHE N N 51 115.001 115.001 121.275 -6.274 18349 513 1 2 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.950 -0.139 18349 514 1 2 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.138 1.597 18349 515 1 2 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.678 -1.416 18349 516 1 2 . 1 1 52 52 LYS N N 52 122.139 122.139 122.824 -0.685 18349 517 1 2 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.674 0.230 18349 518 1 2 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.875 -0.505 18349 519 1 2 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.337 1.738 18349 520 1 2 . 1 1 53 53 CYS N N 53 125.893 125.893 128.531 -2.638 18349 521 1 2 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.766 0.035 18349 522 1 2 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.342 0.314 18349 523 1 2 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.353 -0.399 18349 524 1 2 . 1 1 54 54 ASP N N 54 131.027 131.027 127.058 3.969 18349 525 1 2 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.379 -0.023 18349 526 1 2 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.339 0.450 18349 527 1 2 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.786 -0.944 18349 528 1 2 . 1 1 55 55 GLY N N 55 104.172 104.172 103.933 0.239 18349 529 1 2 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.934 0.751 18349 530 1 2 . 1 1 56 56 GLU N N 56 120.557 120.557 120.710 -0.153 18349 531 1 2 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.686 -0.047 18349 532 1 2 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.431 -0.362 18349 533 1 2 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.569 1.929 18349 534 1 2 . 1 1 57 57 ILE N N 57 123.029 123.029 122.798 0.231 18349 535 1 2 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.384 -0.028 18349 536 1 2 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.684 0.125 18349 537 1 2 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.948 -0.072 18349 538 1 2 . 1 1 58 58 LYS N N 58 130.275 130.275 129.583 0.692 18349 539 1 2 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.434 -0.244 18349 540 1 2 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.279 -1.020 18349 541 1 2 . 1 1 58 58 LYS CB C 58 33.114 33.114 31.367 1.747 18349 542 1 2 . 1 1 59 59 THR N N 59 112.811 112.811 119.775 -6.964 18349 543 1 2 . 1 1 59 59 THR HA H 59 5.100 5.100 4.464 0.636 18349 544 1 2 . 1 1 59 59 THR CA C 59 60.409 60.409 62.457 -2.048 18349 545 1 2 . 1 1 59 59 THR CB C 59 70.886 70.886 68.213 2.673 18349 546 1 2 . 1 1 60 60 PHE N N 60 121.789 121.789 126.717 -4.928 18349 547 1 2 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.702 0.066 18349 548 1 2 . 1 1 60 60 PHE CA C 60 57.623 57.623 56.766 0.857 18349 549 1 2 . 1 1 60 60 PHE CB C 60 44.138 44.138 41.634 2.504 18349 550 1 2 . 1 1 61 61 SER N N 61 116.498 116.498 115.804 0.694 18349 551 1 2 . 1 1 61 61 SER HA H 61 4.876 4.876 4.667 0.209 18349 552 1 2 . 1 1 61 61 SER CA C 61 58.232 58.232 57.671 0.561 18349 553 1 2 . 1 1 61 61 SER CB C 61 64.611 64.611 64.632 -0.021 18349 554 1 2 . 1 1 62 62 ASP N N 62 117.813 117.813 122.248 -4.435 18349 555 1 2 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.934 0.142 18349 556 1 2 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.543 -0.297 18349 557 1 2 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.627 0.548 18349 558 1 2 . 1 1 63 63 LEU N N 63 122.385 122.385 125.774 -3.389 18349 559 1 2 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.220 -0.397 18349 560 1 2 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.874 -1.056 18349 561 1 2 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.646 -0.671 18349 562 1 2 . 1 1 64 64 GLN N N 64 121.981 121.981 119.086 2.895 18349 563 1 2 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.015 -0.005 18349 564 1 2 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.880 -0.501 18349 565 1 2 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.069 -0.474 18349 566 1 2 . 1 1 65 65 SER N N 65 118.758 118.758 114.548 4.210 18349 567 1 2 . 1 1 65 65 SER HA H 65 4.220 4.220 4.244 -0.024 18349 568 1 2 . 1 1 65 65 SER CA C 65 62.205 62.205 62.146 0.059 18349 569 1 2 . 1 1 65 65 SER CB C 65 62.355 62.355 62.727 -0.372 18349 570 1 2 . 1 1 66 66 LEU N N 66 125.879 125.879 124.332 1.547 18349 571 1 2 . 1 1 66 66 LEU HA H 66 3.181 3.181 4.547 -1.366 18349 572 1 2 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.804 0.335 18349 573 1 2 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.738 -0.469 18349 574 1 2 . 1 1 67 67 ARG N N 67 121.270 121.270 119.932 1.338 18349 575 1 2 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.924 -0.313 18349 576 1 2 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.376 -0.381 18349 577 1 2 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.271 -0.446 18349 578 1 2 . 1 1 68 68 LYS N N 68 120.624 120.624 118.685 1.939 18349 579 1 2 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.122 -0.171 18349 580 1 2 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.120 0.362 18349 581 1 2 . 1 1 68 68 LYS CB C 68 32.293 32.293 31.761 0.532 18349 582 1 2 . 1 1 69 69 PHE N N 69 122.104 122.104 121.795 0.309 18349 583 1 2 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.549 -0.293 18349 584 1 2 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.683 0.532 18349 585 1 2 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.708 0.463 18349 586 1 2 . 1 1 70 70 ALA N N 70 121.297 121.297 120.489 0.808 18349 587 1 2 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.847 -0.115 18349 588 1 2 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.797 -0.342 18349 589 1 2 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.012 0.685 18349 590 1 2 . 1 1 71 71 SER N N 71 109.734 109.734 112.589 -2.855 18349 591 1 2 . 1 1 71 71 SER HA H 71 3.948 3.948 4.114 -0.166 18349 592 1 2 . 1 1 71 71 SER CA C 71 60.995 60.995 60.822 0.173 18349 593 1 2 . 1 1 71 71 SER CB C 71 63.451 63.451 63.165 0.286 18349 594 1 2 . 1 1 72 72 GLN N N 72 118.485 118.485 117.529 0.956 18349 595 1 2 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.251 0.056 18349 596 1 2 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.317 -1.173 18349 597 1 2 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.110 0.509 18349 598 1 2 . 1 1 73 73 LYS N N 73 121.680 121.680 121.900 -0.220 18349 599 1 2 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.281 0.316 18349 600 1 2 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.861 -1.642 18349 601 1 2 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.481 0.662 18349 602 1 2 . 1 1 74 74 SER CA C 74 62.000 62.000 61.564 0.436 18349 603 1 2 . 1 1 74 74 SER CB C 74 62.392 62.392 63.036 -0.644 18349 604 1 2 . 1 1 75 75 SER N N 75 115.269 115.269 116.203 -0.934 18349 605 1 2 . 1 1 75 75 SER HA H 75 4.299 4.299 4.275 0.024 18349 606 1 2 . 1 1 75 75 SER CA C 75 59.939 59.939 60.222 -0.283 18349 607 1 2 . 1 1 75 75 SER CB C 75 62.592 62.592 62.994 -0.402 18349 608 1 2 . 1 1 76 76 MET N N 76 119.989 119.989 120.838 -0.849 18349 609 1 2 . 1 1 76 76 MET HA H 76 4.338 4.338 4.495 -0.157 18349 610 1 2 . 1 1 76 76 MET CA C 76 57.159 57.159 57.048 0.111 18349 611 1 2 . 1 1 76 76 MET CB C 76 34.819 34.819 32.384 2.435 18349 612 1 2 . 1 1 77 77 LYS N N 77 121.432 121.432 120.875 0.557 18349 613 1 2 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.090 -0.477 18349 614 1 2 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.247 0.886 18349 615 1 2 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.514 -0.255 18349 616 1 2 . 1 1 78 78 GLU N N 78 117.200 117.200 114.516 2.684 18349 617 1 2 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.313 -0.184 18349 618 1 2 . 1 1 78 78 GLU CA C 78 57.530 57.530 55.825 1.705 18349 619 1 2 . 1 1 78 78 GLU CB C 78 29.525 29.525 30.024 -0.499 18349 620 1 2 . 1 1 79 79 LEU N N 79 119.315 119.315 119.067 0.248 18349 621 1 2 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.226 -0.202 18349 622 1 2 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.838 0.244 18349 623 1 2 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.845 0.026 18349 624 1 2 . 1 1 80 80 LEU N N 80 114.760 114.760 117.318 -2.558 18349 625 1 2 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.447 -0.151 18349 626 1 2 . 1 1 80 80 LEU CA C 80 53.874 53.874 54.442 -0.568 18349 627 1 2 . 1 1 80 80 LEU CB C 80 41.708 41.708 41.009 0.699 18349 628 1 2 . 1 1 81 81 LYS N N 81 120.468 120.468 119.171 1.297 18349 629 1 2 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.077 -0.165 18349 630 1 2 . 1 1 81 81 LYS CA C 81 59.201 59.201 59.043 0.158 18349 631 1 2 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.573 0.836 18349 632 1 2 . 1 1 82 82 ASP N N 82 118.031 118.031 118.125 -0.094 18349 633 1 2 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.481 0.212 18349 634 1 2 . 1 1 82 82 ASP CA C 82 55.118 55.118 57.023 -1.905 18349 635 1 2 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.288 0.157 18349 636 1 2 . 1 1 83 83 VAL N N 83 115.842 115.842 115.437 0.405 18349 637 1 2 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.095 0.097 18349 638 1 2 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.685 -1.873 18349 639 1 2 . 1 1 83 83 VAL CB C 83 32.753 32.753 31.973 0.780 18349 640 1 2 . 1 1 84 84 LEU N N 84 123.084 123.084 123.421 -0.337 18349 641 1 2 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.781 -0.239 18349 642 1 2 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.788 0.250 18349 643 1 2 . 1 1 84 84 LEU CB C 84 42.140 42.140 41.923 0.217 18349 644 1 2 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.277 0.058 18349 645 1 2 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.580 -0.726 18349 646 1 2 . 1 1 85 85 PRO CB C 85 32.178 32.178 30.873 1.305 18349 647 1 2 . 1 1 86 86 GLN N N 86 121.533 121.533 124.786 -3.253 18349 648 1 2 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.578 -0.434 18349 649 1 2 . 1 1 86 86 GLN CA C 86 55.689 55.689 55.000 0.689 18349 650 1 2 . 1 1 86 86 GLN CB C 86 29.618 29.618 31.042 -1.424 18349 651 1 2 . 1 1 87 87 LYS N N 87 123.688 123.688 121.565 2.123 18349 652 1 2 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.201 0.045 18349 653 1 2 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.498 -1.257 18349 654 1 2 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.689 0.839 18349 655 1 3 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.494 -0.243 18349 656 1 3 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.639 0.696 18349 657 1 3 . 1 1 3 3 LEU CB C 3 42.301 42.301 43.508 -1.207 18349 658 1 3 . 1 1 4 4 MET N N 4 121.761 121.761 122.312 -0.551 18349 659 1 3 . 1 1 4 4 MET HA H 4 4.422 4.422 4.558 -0.136 18349 660 1 3 . 1 1 4 4 MET CA C 4 55.404 55.404 54.393 1.011 18349 661 1 3 . 1 1 4 4 MET CB C 4 33.059 33.059 30.823 2.236 18349 662 1 3 . 1 1 5 5 ASP N N 5 122.449 122.449 124.467 -2.018 18349 663 1 3 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.773 -0.194 18349 664 1 3 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.643 1.053 18349 665 1 3 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.000 -0.693 18349 666 1 3 . 1 1 6 6 GLU N N 6 121.856 121.856 120.389 1.467 18349 667 1 3 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.496 -0.222 18349 668 1 3 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.878 1.029 18349 669 1 3 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.888 -0.841 18349 670 1 3 . 1 1 7 7 GLY N N 7 110.268 110.268 112.498 -2.230 18349 671 1 3 . 1 1 7 7 GLY CA C 7 45.538 45.538 45.124 0.414 18349 672 1 3 . 1 1 8 8 ALA N N 8 123.141 123.141 122.142 0.999 18349 673 1 3 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.598 -0.075 18349 674 1 3 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.656 0.194 18349 675 1 3 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.288 0.444 18349 676 1 3 . 1 1 9 9 VAL N N 9 120.521 120.521 118.591 1.930 18349 677 1 3 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.551 -0.332 18349 678 1 3 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.864 0.037 18349 679 1 3 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.579 1.357 18349 680 1 3 . 1 1 10 10 LEU N N 10 128.790 128.790 122.215 6.575 18349 681 1 3 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.759 -0.100 18349 682 1 3 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.566 -0.363 18349 683 1 3 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.222 1.593 18349 684 1 3 . 1 1 11 11 THR HA H 11 5.349 5.349 4.649 0.700 18349 685 1 3 . 1 1 11 11 THR CA C 11 60.386 60.386 62.154 -1.768 18349 686 1 3 . 1 1 11 11 THR CB C 11 72.001 72.001 69.590 2.411 18349 687 1 3 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.642 -0.181 18349 688 1 3 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.584 -0.163 18349 689 1 3 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.778 -0.345 18349 690 1 3 . 1 1 13 13 ALA N N 13 125.942 125.942 126.485 -0.543 18349 691 1 3 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.652 -0.341 18349 692 1 3 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.038 0.935 18349 693 1 3 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.440 0.818 18349 694 1 3 . 1 1 14 14 ALA N N 14 125.619 125.619 126.873 -1.254 18349 695 1 3 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.082 0.039 18349 696 1 3 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.909 -0.232 18349 697 1 3 . 1 1 14 14 ALA CB C 14 18.366 18.366 19.095 -0.729 18349 698 1 3 . 1 1 15 15 ASP N N 15 114.584 114.584 116.831 -2.247 18349 699 1 3 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.599 -0.117 18349 700 1 3 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.538 -2.680 18349 701 1 3 . 1 1 15 15 ASP CB C 15 40.064 40.064 41.274 -1.210 18349 702 1 3 . 1 1 16 16 LEU N N 16 115.700 115.700 119.646 -3.946 18349 703 1 3 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.266 -0.599 18349 704 1 3 . 1 1 16 16 LEU CA C 16 56.389 56.389 56.337 0.053 18349 705 1 3 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.362 -2.101 18349 706 1 3 . 1 1 17 17 SER N N 17 112.160 112.160 113.592 -1.432 18349 707 1 3 . 1 1 17 17 SER HA H 17 4.389 4.389 4.570 -0.181 18349 708 1 3 . 1 1 17 17 SER CA C 17 59.732 59.732 59.420 0.312 18349 709 1 3 . 1 1 17 17 SER CB C 17 64.092 64.092 64.501 -0.409 18349 710 1 3 . 1 1 18 18 SER N N 18 114.973 114.973 120.158 -5.185 18349 711 1 3 . 1 1 18 18 SER HA H 18 5.024 5.024 4.500 0.524 18349 712 1 3 . 1 1 18 18 SER CA C 18 56.996 56.996 57.407 -0.411 18349 713 1 3 . 1 1 18 18 SER CB C 18 65.549 65.549 61.735 3.814 18349 714 1 3 . 1 1 19 19 ALA N N 19 122.800 122.800 123.498 -0.698 18349 715 1 3 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.491 0.502 18349 716 1 3 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.457 -0.820 18349 717 1 3 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.914 3.607 18349 718 1 3 . 1 1 20 20 THR N N 20 115.578 115.578 113.723 1.855 18349 719 1 3 . 1 1 20 20 THR HA H 20 5.016 5.016 4.459 0.557 18349 720 1 3 . 1 1 20 20 THR CA C 20 61.219 61.219 62.382 -1.163 18349 721 1 3 . 1 1 20 20 THR CB C 20 71.159 71.159 69.471 1.688 18349 722 1 3 . 1 1 21 21 LEU N N 21 126.796 126.796 121.023 5.773 18349 723 1 3 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.928 -0.207 18349 724 1 3 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.350 -0.671 18349 725 1 3 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.605 2.295 18349 726 1 3 . 1 1 22 22 ASP N N 22 124.700 124.700 122.203 2.497 18349 727 1 3 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.778 -0.021 18349 728 1 3 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.465 0.552 18349 729 1 3 . 1 1 22 22 ASP CB C 22 41.983 41.983 44.027 -2.044 18349 730 1 3 . 1 1 23 23 ILE N N 23 124.629 124.629 118.294 6.335 18349 731 1 3 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.338 -0.307 18349 732 1 3 . 1 1 23 23 ILE CA C 23 59.629 59.629 61.721 -2.091 18349 733 1 3 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.995 -0.932 18349 734 1 3 . 1 1 24 24 SER N N 24 125.361 125.361 117.398 7.963 18349 735 1 3 . 1 1 24 24 SER HA H 24 4.398 4.398 4.850 -0.452 18349 736 1 3 . 1 1 24 24 SER CA C 24 58.184 58.184 57.480 0.704 18349 737 1 3 . 1 1 24 24 SER CB C 24 64.557 64.557 65.224 -0.667 18349 738 1 3 . 1 1 25 25 LYS N N 25 124.630 124.630 119.895 4.735 18349 739 1 3 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.339 -0.158 18349 740 1 3 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.129 2.298 18349 741 1 3 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.628 -0.586 18349 742 1 3 . 1 1 26 26 GLN N N 26 117.379 117.379 120.436 -3.057 18349 743 1 3 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.418 -0.352 18349 744 1 3 . 1 1 26 26 GLN CA C 26 59.321 59.321 56.867 2.454 18349 745 1 3 . 1 1 26 26 GLN CB C 26 28.773 28.773 29.038 -0.265 18349 746 1 3 . 1 1 27 27 TRP N N 27 118.412 118.412 125.080 -6.668 18349 747 1 3 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.858 -0.297 18349 748 1 3 . 1 1 27 27 TRP CA C 27 60.228 60.228 56.367 3.861 18349 749 1 3 . 1 1 27 27 TRP CB C 27 30.121 30.121 30.975 -0.854 18349 750 1 3 . 1 1 28 28 SER N N 28 117.604 117.604 115.102 2.502 18349 751 1 3 . 1 1 28 28 SER HA H 28 4.009 4.009 4.404 -0.395 18349 752 1 3 . 1 1 28 28 SER CA C 28 62.130 62.130 58.796 3.334 18349 753 1 3 . 1 1 28 28 SER CB C 28 62.273 62.273 63.187 -0.914 18349 754 1 3 . 1 1 29 29 ASN N N 29 121.383 121.383 119.247 2.136 18349 755 1 3 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.595 0.000 18349 756 1 3 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.676 2.148 18349 757 1 3 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.753 0.410 18349 758 1 3 . 1 1 30 30 VAL CA C 30 56.222 56.222 65.571 -9.349 18349 759 1 3 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.194 -1.700 18349 760 1 3 . 1 1 31 31 PHE N N 31 121.135 121.135 114.244 6.891 18349 761 1 3 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.837 -1.320 18349 762 1 3 . 1 1 31 31 PHE CA C 31 62.835 62.835 55.803 7.032 18349 763 1 3 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.877 1.279 18349 764 1 3 . 1 1 32 32 ASN N N 32 117.099 117.099 120.828 -3.729 18349 765 1 3 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.137 0.231 18349 766 1 3 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.551 0.464 18349 767 1 3 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.315 0.524 18349 768 1 3 . 1 1 33 33 ILE N N 33 120.541 120.541 118.398 2.143 18349 769 1 3 . 1 1 33 33 ILE HA H 33 3.789 3.789 4.159 -0.370 18349 770 1 3 . 1 1 33 33 ILE CA C 33 64.520 64.520 62.641 1.879 18349 771 1 3 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.318 1.021 18349 772 1 3 . 1 1 34 34 LEU N N 34 121.099 121.099 119.479 1.620 18349 773 1 3 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.777 0.081 18349 774 1 3 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.930 -0.111 18349 775 1 3 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.232 -0.567 18349 776 1 3 . 1 1 35 35 ARG N N 35 122.638 122.638 118.704 3.934 18349 777 1 3 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.155 -0.299 18349 778 1 3 . 1 1 35 35 ARG CA C 35 59.121 59.121 58.987 0.134 18349 779 1 3 . 1 1 35 35 ARG CB C 35 29.849 29.849 29.690 0.159 18349 780 1 3 . 1 1 36 36 GLU N N 36 120.533 120.533 119.224 1.309 18349 781 1 3 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.167 -0.057 18349 782 1 3 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.687 -0.477 18349 783 1 3 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.658 0.071 18349 784 1 3 . 1 1 37 37 ASN N N 37 115.321 115.321 114.572 0.749 18349 785 1 3 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.934 -0.096 18349 786 1 3 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.537 0.207 18349 787 1 3 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.199 1.347 18349 788 1 3 . 1 1 38 38 ASP N N 38 111.921 111.921 117.950 -6.029 18349 789 1 3 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.470 0.215 18349 790 1 3 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.569 0.942 18349 791 1 3 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.020 -0.818 18349 792 1 3 . 1 1 39 39 PHE N N 39 114.378 114.378 117.757 -3.379 18349 793 1 3 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.508 0.076 18349 794 1 3 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.243 2.175 18349 795 1 3 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.545 -0.580 18349 796 1 3 . 1 1 40 40 GLU N N 40 115.531 115.531 117.521 -1.990 18349 797 1 3 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.137 -0.229 18349 798 1 3 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.283 -0.028 18349 799 1 3 . 1 1 40 40 GLU CB C 40 28.726 28.726 27.915 0.811 18349 800 1 3 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.645 0.648 18349 801 1 3 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.489 -0.590 18349 802 1 3 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.781 0.370 18349 803 1 3 . 1 1 42 42 LYS N N 42 118.255 118.255 119.219 -0.964 18349 804 1 3 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.538 0.162 18349 805 1 3 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.071 0.405 18349 806 1 3 . 1 1 42 42 LYS CB C 42 36.723 36.723 32.983 3.740 18349 807 1 3 . 1 1 43 43 PHE N N 43 122.245 122.245 116.503 5.742 18349 808 1 3 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.254 1.191 18349 809 1 3 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.383 -0.887 18349 810 1 3 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.281 1.848 18349 811 1 3 . 1 1 44 44 LEU N N 44 124.272 124.272 124.778 -0.506 18349 812 1 3 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.222 0.591 18349 813 1 3 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.808 -1.598 18349 814 1 3 . 1 1 44 44 LEU CB C 44 44.365 44.365 39.249 5.116 18349 815 1 3 . 1 1 45 45 CYS N N 45 120.218 120.218 124.587 -4.369 18349 816 1 3 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.527 0.663 18349 817 1 3 . 1 1 45 45 CYS CA C 45 56.881 56.881 57.298 -0.417 18349 818 1 3 . 1 1 45 45 CYS CB C 45 30.509 30.509 31.188 -0.678 18349 819 1 3 . 1 1 46 46 GLU N N 46 127.444 127.444 125.081 2.363 18349 820 1 3 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.379 0.223 18349 821 1 3 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.704 -1.506 18349 822 1 3 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.830 3.548 18349 823 1 3 . 1 1 47 47 VAL N N 47 126.664 126.664 124.782 1.882 18349 824 1 3 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.137 0.595 18349 825 1 3 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.954 -0.844 18349 826 1 3 . 1 1 47 47 VAL CB C 47 33.464 33.464 33.219 0.245 18349 827 1 3 . 1 1 48 48 LYS N N 48 124.434 124.434 121.886 2.548 18349 828 1 3 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.685 0.182 18349 829 1 3 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.704 -0.552 18349 830 1 3 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.597 4.174 18349 831 1 3 . 1 1 49 49 LEU N N 49 124.048 124.048 126.117 -2.069 18349 832 1 3 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.406 0.505 18349 833 1 3 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.706 -0.739 18349 834 1 3 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.298 4.683 18349 835 1 3 . 1 1 50 50 ALA N N 50 130.149 130.149 129.656 0.493 18349 836 1 3 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.265 1.575 18349 837 1 3 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.965 -1.690 18349 838 1 3 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.660 5.374 18349 839 1 3 . 1 1 51 51 PHE N N 51 115.001 115.001 119.326 -4.325 18349 840 1 3 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.864 -0.053 18349 841 1 3 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.629 1.106 18349 842 1 3 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.172 -0.910 18349 843 1 3 . 1 1 52 52 LYS N N 52 122.139 122.139 121.883 0.256 18349 844 1 3 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.732 0.172 18349 845 1 3 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.844 -0.474 18349 846 1 3 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.212 0.863 18349 847 1 3 . 1 1 53 53 CYS N N 53 125.893 125.893 126.646 -0.753 18349 848 1 3 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.907 -0.106 18349 849 1 3 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.946 -0.290 18349 850 1 3 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.910 -0.956 18349 851 1 3 . 1 1 54 54 ASP N N 54 131.027 131.027 127.155 3.872 18349 852 1 3 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.412 -0.056 18349 853 1 3 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.215 0.574 18349 854 1 3 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.841 -0.999 18349 855 1 3 . 1 1 55 55 GLY N N 55 104.172 104.172 103.854 0.318 18349 856 1 3 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.947 0.738 18349 857 1 3 . 1 1 56 56 GLU N N 56 120.557 120.557 120.751 -0.194 18349 858 1 3 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.633 0.006 18349 859 1 3 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.561 -0.492 18349 860 1 3 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.477 2.021 18349 861 1 3 . 1 1 57 57 ILE N N 57 123.029 123.029 121.945 1.084 18349 862 1 3 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.526 -0.170 18349 863 1 3 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.710 0.099 18349 864 1 3 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.572 -0.696 18349 865 1 3 . 1 1 58 58 LYS N N 58 130.275 130.275 128.474 1.801 18349 866 1 3 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.128 0.062 18349 867 1 3 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.410 -1.151 18349 868 1 3 . 1 1 58 58 LYS CB C 58 33.114 33.114 31.661 1.453 18349 869 1 3 . 1 1 59 59 THR N N 59 112.811 112.811 115.738 -2.927 18349 870 1 3 . 1 1 59 59 THR HA H 59 5.100 5.100 4.380 0.720 18349 871 1 3 . 1 1 59 59 THR CA C 59 60.409 60.409 61.511 -1.102 18349 872 1 3 . 1 1 59 59 THR CB C 59 70.886 70.886 68.614 2.272 18349 873 1 3 . 1 1 60 60 PHE N N 60 121.789 121.789 126.607 -4.818 18349 874 1 3 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.803 -0.035 18349 875 1 3 . 1 1 60 60 PHE CA C 60 57.623 57.623 56.990 0.633 18349 876 1 3 . 1 1 60 60 PHE CB C 60 44.138 44.138 43.169 0.969 18349 877 1 3 . 1 1 61 61 SER N N 61 116.498 116.498 116.019 0.479 18349 878 1 3 . 1 1 61 61 SER HA H 61 4.876 4.876 4.764 0.112 18349 879 1 3 . 1 1 61 61 SER CA C 61 58.232 58.232 58.107 0.125 18349 880 1 3 . 1 1 61 61 SER CB C 61 64.611 64.611 63.814 0.797 18349 881 1 3 . 1 1 62 62 ASP N N 62 117.813 117.813 119.390 -1.577 18349 882 1 3 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.905 0.171 18349 883 1 3 . 1 1 62 62 ASP CA C 62 53.246 53.246 52.814 0.432 18349 884 1 3 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.416 0.758 18349 885 1 3 . 1 1 63 63 LEU N N 63 122.385 122.385 120.593 1.792 18349 886 1 3 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.648 -0.825 18349 887 1 3 . 1 1 63 63 LEU CA C 63 56.818 56.818 54.841 1.977 18349 888 1 3 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.459 -0.484 18349 889 1 3 . 1 1 64 64 GLN N N 64 121.981 121.981 118.304 3.677 18349 890 1 3 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.429 -0.419 18349 891 1 3 . 1 1 64 64 GLN CA C 64 59.379 59.379 57.380 1.999 18349 892 1 3 . 1 1 64 64 GLN CB C 64 27.595 27.595 31.387 -3.792 18349 893 1 3 . 1 1 65 65 SER N N 65 118.758 118.758 118.312 0.446 18349 894 1 3 . 1 1 65 65 SER HA H 65 4.220 4.220 4.329 -0.109 18349 895 1 3 . 1 1 65 65 SER CA C 65 62.205 62.205 62.012 0.193 18349 896 1 3 . 1 1 65 65 SER CB C 65 62.355 62.355 63.534 -1.179 18349 897 1 3 . 1 1 66 66 LEU N N 66 125.879 125.879 122.965 2.914 18349 898 1 3 . 1 1 66 66 LEU HA H 66 3.181 3.181 2.794 0.387 18349 899 1 3 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.571 0.568 18349 900 1 3 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.407 -0.138 18349 901 1 3 . 1 1 67 67 ARG N N 67 121.270 121.270 118.279 2.991 18349 902 1 3 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.863 -0.252 18349 903 1 3 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.558 0.437 18349 904 1 3 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.730 0.095 18349 905 1 3 . 1 1 68 68 LYS N N 68 120.624 120.624 118.826 1.798 18349 906 1 3 . 1 1 68 68 LYS HA H 68 3.951 3.951 3.983 -0.032 18349 907 1 3 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.412 0.070 18349 908 1 3 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.290 0.003 18349 909 1 3 . 1 1 69 69 PHE N N 69 122.104 122.104 120.374 1.730 18349 910 1 3 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.144 0.112 18349 911 1 3 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.882 0.333 18349 912 1 3 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.080 1.091 18349 913 1 3 . 1 1 70 70 ALA N N 70 121.297 121.297 119.956 1.341 18349 914 1 3 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.846 -0.114 18349 915 1 3 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.766 -0.311 18349 916 1 3 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.224 0.473 18349 917 1 3 . 1 1 71 71 SER N N 71 109.734 109.734 112.740 -3.006 18349 918 1 3 . 1 1 71 71 SER HA H 71 3.948 3.948 4.205 -0.257 18349 919 1 3 . 1 1 71 71 SER CA C 71 60.995 60.995 60.720 0.275 18349 920 1 3 . 1 1 71 71 SER CB C 71 63.451 63.451 63.295 0.156 18349 921 1 3 . 1 1 72 72 GLN N N 72 118.485 118.485 117.520 0.965 18349 922 1 3 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.177 0.130 18349 923 1 3 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.762 -1.618 18349 924 1 3 . 1 1 72 72 GLN CB C 72 29.619 29.619 28.930 0.689 18349 925 1 3 . 1 1 73 73 LYS N N 73 121.680 121.680 121.678 0.002 18349 926 1 3 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.278 0.319 18349 927 1 3 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.856 -1.637 18349 928 1 3 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.152 0.991 18349 929 1 3 . 1 1 74 74 SER CA C 74 62.000 62.000 61.697 0.303 18349 930 1 3 . 1 1 74 74 SER CB C 74 62.392 62.392 62.980 -0.588 18349 931 1 3 . 1 1 75 75 SER N N 75 115.269 115.269 116.662 -1.393 18349 932 1 3 . 1 1 75 75 SER HA H 75 4.299 4.299 4.233 0.066 18349 933 1 3 . 1 1 75 75 SER CA C 75 59.939 59.939 61.037 -1.098 18349 934 1 3 . 1 1 75 75 SER CB C 75 62.592 62.592 62.978 -0.386 18349 935 1 3 . 1 1 76 76 MET N N 76 119.989 119.989 120.315 -0.326 18349 936 1 3 . 1 1 76 76 MET HA H 76 4.338 4.338 4.362 -0.024 18349 937 1 3 . 1 1 76 76 MET CA C 76 57.159 57.159 57.450 -0.291 18349 938 1 3 . 1 1 76 76 MET CB C 76 34.819 34.819 32.307 2.512 18349 939 1 3 . 1 1 77 77 LYS N N 77 121.432 121.432 121.164 0.268 18349 940 1 3 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.060 -0.447 18349 941 1 3 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.491 0.642 18349 942 1 3 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.304 -0.045 18349 943 1 3 . 1 1 78 78 GLU N N 78 117.200 117.200 116.227 0.973 18349 944 1 3 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.255 -0.126 18349 945 1 3 . 1 1 78 78 GLU CA C 78 57.530 57.530 57.329 0.201 18349 946 1 3 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.562 -0.037 18349 947 1 3 . 1 1 79 79 LEU N N 79 119.315 119.315 119.278 0.037 18349 948 1 3 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.289 -0.265 18349 949 1 3 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.793 0.289 18349 950 1 3 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.837 0.034 18349 951 1 3 . 1 1 80 80 LEU N N 80 114.760 114.760 118.367 -3.607 18349 952 1 3 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.272 0.024 18349 953 1 3 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.157 -1.283 18349 954 1 3 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.296 1.412 18349 955 1 3 . 1 1 81 81 LYS N N 81 120.468 120.468 118.817 1.651 18349 956 1 3 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.077 -0.165 18349 957 1 3 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.744 0.457 18349 958 1 3 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.403 1.006 18349 959 1 3 . 1 1 82 82 ASP N N 82 118.031 118.031 119.562 -1.531 18349 960 1 3 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.412 0.281 18349 961 1 3 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.774 -1.656 18349 962 1 3 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.094 0.351 18349 963 1 3 . 1 1 83 83 VAL N N 83 115.842 115.842 116.596 -0.754 18349 964 1 3 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.205 -0.013 18349 965 1 3 . 1 1 83 83 VAL CA C 83 61.812 61.812 61.940 -0.128 18349 966 1 3 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.614 -0.861 18349 967 1 3 . 1 1 84 84 LEU N N 84 123.084 123.084 122.658 0.426 18349 968 1 3 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.627 -0.085 18349 969 1 3 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.899 0.139 18349 970 1 3 . 1 1 84 84 LEU CB C 84 42.140 42.140 41.878 0.262 18349 971 1 3 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.442 -0.106 18349 972 1 3 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.346 -0.493 18349 973 1 3 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.192 0.986 18349 974 1 3 . 1 1 86 86 GLN N N 86 121.533 121.533 122.375 -0.842 18349 975 1 3 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.462 -0.318 18349 976 1 3 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.883 0.806 18349 977 1 3 . 1 1 86 86 GLN CB C 86 29.618 29.618 31.887 -2.268 18349 978 1 3 . 1 1 87 87 LYS N N 87 123.688 123.688 119.293 4.395 18349 979 1 3 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.106 0.140 18349 980 1 3 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.248 -1.007 18349 981 1 3 . 1 1 87 87 LYS CB C 87 33.528 33.528 30.912 2.616 18349 982 1 4 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.750 -0.499 18349 983 1 4 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.311 1.024 18349 984 1 4 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.854 -0.553 18349 985 1 4 . 1 1 4 4 MET N N 4 121.761 121.761 120.518 1.243 18349 986 1 4 . 1 1 4 4 MET HA H 4 4.422 4.422 4.644 -0.222 18349 987 1 4 . 1 1 4 4 MET CA C 4 55.404 55.404 54.191 1.214 18349 988 1 4 . 1 1 4 4 MET CB C 4 33.059 33.059 32.364 0.695 18349 989 1 4 . 1 1 5 5 ASP N N 5 122.449 122.449 121.223 1.226 18349 990 1 4 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.757 -0.178 18349 991 1 4 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.166 0.530 18349 992 1 4 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.641 -0.334 18349 993 1 4 . 1 1 6 6 GLU N N 6 121.856 121.856 121.873 -0.017 18349 994 1 4 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.456 -0.182 18349 995 1 4 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.924 0.983 18349 996 1 4 . 1 1 6 6 GLU CB C 6 30.047 30.047 29.026 1.021 18349 997 1 4 . 1 1 7 7 GLY N N 7 110.268 110.268 111.374 -1.106 18349 998 1 4 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.956 0.582 18349 999 1 4 . 1 1 8 8 ALA N N 8 123.141 123.141 125.007 -1.866 18349 1000 1 4 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.693 -0.170 18349 1001 1 4 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.638 0.212 18349 1002 1 4 . 1 1 8 8 ALA CB C 8 20.732 20.732 18.984 1.748 18349 1003 1 4 . 1 1 9 9 VAL N N 9 120.521 120.521 123.947 -3.426 18349 1004 1 4 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.337 -0.118 18349 1005 1 4 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.728 0.173 18349 1006 1 4 . 1 1 9 9 VAL CB C 9 33.936 33.936 33.377 0.559 18349 1007 1 4 . 1 1 10 10 LEU N N 10 128.790 128.790 125.198 3.592 18349 1008 1 4 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.835 -0.176 18349 1009 1 4 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.990 -0.788 18349 1010 1 4 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.535 1.280 18349 1011 1 4 . 1 1 11 11 THR HA H 11 5.349 5.349 4.515 0.834 18349 1012 1 4 . 1 1 11 11 THR CA C 11 60.386 60.386 61.234 -0.848 18349 1013 1 4 . 1 1 11 11 THR CB C 11 72.001 72.001 69.795 2.206 18349 1014 1 4 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.936 -0.475 18349 1015 1 4 . 1 1 12 12 LEU CA C 12 54.421 54.421 53.450 0.971 18349 1016 1 4 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.932 -0.499 18349 1017 1 4 . 1 1 13 13 ALA N N 13 125.942 125.942 124.254 1.688 18349 1018 1 4 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.520 -0.209 18349 1019 1 4 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.688 0.285 18349 1020 1 4 . 1 1 13 13 ALA CB C 13 20.258 20.258 20.311 -0.053 18349 1021 1 4 . 1 1 14 14 ALA N N 14 125.619 125.619 118.848 6.771 18349 1022 1 4 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.412 -0.291 18349 1023 1 4 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.610 2.067 18349 1024 1 4 . 1 1 14 14 ALA CB C 14 18.366 18.366 19.944 -1.578 18349 1025 1 4 . 1 1 15 15 ASP N N 15 114.584 114.584 118.328 -3.744 18349 1026 1 4 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.525 -0.043 18349 1027 1 4 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.054 -2.196 18349 1028 1 4 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.678 -0.614 18349 1029 1 4 . 1 1 16 16 LEU N N 16 115.700 115.700 122.182 -6.482 18349 1030 1 4 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.611 -0.944 18349 1031 1 4 . 1 1 16 16 LEU CA C 16 56.389 56.389 53.678 2.711 18349 1032 1 4 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.112 -1.851 18349 1033 1 4 . 1 1 17 17 SER N N 17 112.160 112.160 116.890 -4.730 18349 1034 1 4 . 1 1 17 17 SER HA H 17 4.389 4.389 4.196 0.193 18349 1035 1 4 . 1 1 17 17 SER CA C 17 59.732 59.732 60.734 -1.002 18349 1036 1 4 . 1 1 17 17 SER CB C 17 64.092 64.092 63.578 0.514 18349 1037 1 4 . 1 1 18 18 SER N N 18 114.973 114.973 113.048 1.925 18349 1038 1 4 . 1 1 18 18 SER HA H 18 5.024 5.024 4.464 0.560 18349 1039 1 4 . 1 1 18 18 SER CA C 18 56.996 56.996 57.866 -0.870 18349 1040 1 4 . 1 1 18 18 SER CB C 18 65.549 65.549 65.422 0.127 18349 1041 1 4 . 1 1 19 19 ALA N N 19 122.800 122.800 124.367 -1.567 18349 1042 1 4 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.643 0.350 18349 1043 1 4 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.674 -2.037 18349 1044 1 4 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.833 3.688 18349 1045 1 4 . 1 1 20 20 THR N N 20 115.578 115.578 117.315 -1.737 18349 1046 1 4 . 1 1 20 20 THR HA H 20 5.016 5.016 4.376 0.640 18349 1047 1 4 . 1 1 20 20 THR CA C 20 61.219 61.219 62.407 -1.188 18349 1048 1 4 . 1 1 20 20 THR CB C 20 71.159 71.159 69.061 2.098 18349 1049 1 4 . 1 1 21 21 LEU N N 21 126.796 126.796 123.967 2.829 18349 1050 1 4 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.599 0.122 18349 1051 1 4 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.305 -0.626 18349 1052 1 4 . 1 1 21 21 LEU CB C 21 44.900 44.900 44.512 0.388 18349 1053 1 4 . 1 1 22 22 ASP N N 22 124.700 124.700 125.186 -0.486 18349 1054 1 4 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.754 0.003 18349 1055 1 4 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.821 0.196 18349 1056 1 4 . 1 1 22 22 ASP CB C 22 41.983 41.983 42.192 -0.209 18349 1057 1 4 . 1 1 23 23 ILE N N 23 124.629 124.629 122.755 1.874 18349 1058 1 4 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.061 -0.030 18349 1059 1 4 . 1 1 23 23 ILE CA C 23 59.629 59.629 62.144 -2.515 18349 1060 1 4 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.861 -0.799 18349 1061 1 4 . 1 1 24 24 SER N N 24 125.361 125.361 115.999 9.362 18349 1062 1 4 . 1 1 24 24 SER HA H 24 4.398 4.398 4.647 -0.249 18349 1063 1 4 . 1 1 24 24 SER CA C 24 58.184 58.184 57.572 0.612 18349 1064 1 4 . 1 1 24 24 SER CB C 24 64.557 64.557 63.319 1.238 18349 1065 1 4 . 1 1 25 25 LYS N N 25 124.630 124.630 127.949 -3.319 18349 1066 1 4 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.701 -0.520 18349 1067 1 4 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.247 3.180 18349 1068 1 4 . 1 1 25 25 LYS CB C 25 32.042 32.042 31.751 0.291 18349 1069 1 4 . 1 1 26 26 GLN N N 26 117.379 117.379 119.761 -2.382 18349 1070 1 4 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.190 -0.124 18349 1071 1 4 . 1 1 26 26 GLN CA C 26 59.321 59.321 57.064 2.257 18349 1072 1 4 . 1 1 26 26 GLN CB C 26 28.773 28.773 28.726 0.047 18349 1073 1 4 . 1 1 27 27 TRP N N 27 118.412 118.412 119.681 -1.269 18349 1074 1 4 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.560 0.001 18349 1075 1 4 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.052 3.176 18349 1076 1 4 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.996 0.125 18349 1077 1 4 . 1 1 28 28 SER N N 28 117.604 117.604 111.819 5.785 18349 1078 1 4 . 1 1 28 28 SER HA H 28 4.009 4.009 4.228 -0.219 18349 1079 1 4 . 1 1 28 28 SER CA C 28 62.130 62.130 59.398 2.732 18349 1080 1 4 . 1 1 28 28 SER CB C 28 62.273 62.273 61.422 0.851 18349 1081 1 4 . 1 1 29 29 ASN N N 29 121.383 121.383 119.708 1.675 18349 1082 1 4 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.708 -0.113 18349 1083 1 4 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.133 2.691 18349 1084 1 4 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.150 1.013 18349 1085 1 4 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.482 -7.260 18349 1086 1 4 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.591 -3.097 18349 1087 1 4 . 1 1 31 31 PHE N N 31 121.135 121.135 122.012 -0.877 18349 1088 1 4 . 1 1 31 31 PHE HA H 31 3.517 3.517 3.944 -0.427 18349 1089 1 4 . 1 1 31 31 PHE CA C 31 62.835 62.835 62.616 0.219 18349 1090 1 4 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.942 1.214 18349 1091 1 4 . 1 1 32 32 ASN N N 32 117.099 117.099 117.733 -0.634 18349 1092 1 4 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.351 0.017 18349 1093 1 4 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.645 0.370 18349 1094 1 4 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.125 0.714 18349 1095 1 4 . 1 1 33 33 ILE N N 33 120.541 120.541 120.426 0.115 18349 1096 1 4 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.830 -0.041 18349 1097 1 4 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.518 1.002 18349 1098 1 4 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.002 1.337 18349 1099 1 4 . 1 1 34 34 LEU N N 34 121.099 121.099 119.467 1.632 18349 1100 1 4 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.719 0.139 18349 1101 1 4 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.757 0.062 18349 1102 1 4 . 1 1 34 34 LEU CB C 34 40.665 40.665 40.875 -0.210 18349 1103 1 4 . 1 1 35 35 ARG N N 35 122.638 122.638 119.464 3.174 18349 1104 1 4 . 1 1 35 35 ARG HA H 35 3.856 3.856 3.822 0.034 18349 1105 1 4 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.422 -0.301 18349 1106 1 4 . 1 1 35 35 ARG CB C 35 29.849 29.849 29.846 0.003 18349 1107 1 4 . 1 1 36 36 GLU N N 36 120.533 120.533 118.625 1.908 18349 1108 1 4 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.115 -0.005 18349 1109 1 4 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.670 -0.460 18349 1110 1 4 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.618 0.111 18349 1111 1 4 . 1 1 37 37 ASN N N 37 115.321 115.321 115.583 -0.262 18349 1112 1 4 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.654 0.184 18349 1113 1 4 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.649 0.095 18349 1114 1 4 . 1 1 37 37 ASN CB C 37 40.546 40.546 38.537 2.009 18349 1115 1 4 . 1 1 38 38 ASP N N 38 111.921 111.921 115.684 -3.763 18349 1116 1 4 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.470 0.215 18349 1117 1 4 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.149 1.362 18349 1118 1 4 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.557 -1.355 18349 1119 1 4 . 1 1 39 39 PHE N N 39 114.378 114.378 118.132 -3.754 18349 1120 1 4 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.377 0.207 18349 1121 1 4 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.806 0.612 18349 1122 1 4 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.485 -0.520 18349 1123 1 4 . 1 1 40 40 GLU N N 40 115.531 115.531 119.141 -3.610 18349 1124 1 4 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.115 -0.207 18349 1125 1 4 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.794 0.461 18349 1126 1 4 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.384 -0.658 18349 1127 1 4 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.695 0.598 18349 1128 1 4 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.628 -0.729 18349 1129 1 4 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.409 0.742 18349 1130 1 4 . 1 1 42 42 LYS N N 42 118.255 118.255 119.444 -1.189 18349 1131 1 4 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.894 -0.194 18349 1132 1 4 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.520 -0.044 18349 1133 1 4 . 1 1 42 42 LYS CB C 42 36.723 36.723 34.665 2.058 18349 1134 1 4 . 1 1 43 43 PHE N N 43 122.245 122.245 123.282 -1.037 18349 1135 1 4 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.554 0.891 18349 1136 1 4 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.691 -0.195 18349 1137 1 4 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.426 1.703 18349 1138 1 4 . 1 1 44 44 LEU N N 44 124.272 124.272 127.450 -3.178 18349 1139 1 4 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.435 0.378 18349 1140 1 4 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.389 -1.179 18349 1141 1 4 . 1 1 44 44 LEU CB C 44 44.365 44.365 39.858 4.507 18349 1142 1 4 . 1 1 45 45 CYS N N 45 120.218 120.218 124.376 -4.158 18349 1143 1 4 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.342 0.848 18349 1144 1 4 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.847 -1.966 18349 1145 1 4 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.511 2.998 18349 1146 1 4 . 1 1 46 46 GLU N N 46 127.444 127.444 124.525 2.919 18349 1147 1 4 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.431 0.171 18349 1148 1 4 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.431 -0.233 18349 1149 1 4 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.626 3.752 18349 1150 1 4 . 1 1 47 47 VAL N N 47 126.664 126.664 117.255 9.409 18349 1151 1 4 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.057 0.675 18349 1152 1 4 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.287 -1.177 18349 1153 1 4 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.306 1.157 18349 1154 1 4 . 1 1 48 48 LYS N N 48 124.434 124.434 121.466 2.968 18349 1155 1 4 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.542 0.325 18349 1156 1 4 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.930 -0.778 18349 1157 1 4 . 1 1 48 48 LYS CB C 48 36.771 36.771 34.261 2.510 18349 1158 1 4 . 1 1 49 49 LEU N N 49 124.048 124.048 126.236 -2.188 18349 1159 1 4 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.432 0.479 18349 1160 1 4 . 1 1 49 49 LEU CA C 49 53.967 53.967 53.793 0.174 18349 1161 1 4 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.609 4.372 18349 1162 1 4 . 1 1 50 50 ALA N N 50 130.149 130.149 127.133 3.016 18349 1163 1 4 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.751 1.089 18349 1164 1 4 . 1 1 50 50 ALA CA C 50 49.275 49.275 51.202 -1.927 18349 1165 1 4 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.646 4.388 18349 1166 1 4 . 1 1 51 51 PHE N N 51 115.001 115.001 122.232 -7.231 18349 1167 1 4 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.047 -0.236 18349 1168 1 4 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.066 1.669 18349 1169 1 4 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.106 -1.845 18349 1170 1 4 . 1 1 52 52 LYS N N 52 122.139 122.139 122.365 -0.226 18349 1171 1 4 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.582 0.322 18349 1172 1 4 . 1 1 52 52 LYS CA C 52 55.370 55.370 56.087 -0.717 18349 1173 1 4 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.381 1.694 18349 1174 1 4 . 1 1 53 53 CYS N N 53 125.893 125.893 127.697 -1.804 18349 1175 1 4 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.829 -0.028 18349 1176 1 4 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.946 -0.290 18349 1177 1 4 . 1 1 53 53 CYS CB C 53 28.954 28.954 30.110 -1.156 18349 1178 1 4 . 1 1 54 54 ASP N N 54 131.027 131.027 127.294 3.733 18349 1179 1 4 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.368 -0.012 18349 1180 1 4 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.516 0.273 18349 1181 1 4 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.458 -0.616 18349 1182 1 4 . 1 1 55 55 GLY N N 55 104.172 104.172 102.906 1.266 18349 1183 1 4 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.008 0.677 18349 1184 1 4 . 1 1 56 56 GLU N N 56 120.557 120.557 120.264 0.293 18349 1185 1 4 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.709 -0.070 18349 1186 1 4 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.170 -0.101 18349 1187 1 4 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.682 1.816 18349 1188 1 4 . 1 1 57 57 ILE N N 57 123.029 123.029 122.889 0.140 18349 1189 1 4 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.416 -0.060 18349 1190 1 4 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.996 -0.187 18349 1191 1 4 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.261 -0.385 18349 1192 1 4 . 1 1 58 58 LYS N N 58 130.275 130.275 129.010 1.265 18349 1193 1 4 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.378 -0.188 18349 1194 1 4 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.362 -1.103 18349 1195 1 4 . 1 1 58 58 LYS CB C 58 33.114 33.114 32.487 0.627 18349 1196 1 4 . 1 1 59 59 THR N N 59 112.811 112.811 115.377 -2.566 18349 1197 1 4 . 1 1 59 59 THR HA H 59 5.100 5.100 4.481 0.619 18349 1198 1 4 . 1 1 59 59 THR CA C 59 60.409 60.409 61.169 -0.760 18349 1199 1 4 . 1 1 59 59 THR CB C 59 70.886 70.886 69.281 1.605 18349 1200 1 4 . 1 1 60 60 PHE N N 60 121.789 121.789 124.803 -3.014 18349 1201 1 4 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.776 -0.008 18349 1202 1 4 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.216 0.407 18349 1203 1 4 . 1 1 60 60 PHE CB C 60 44.138 44.138 43.312 0.826 18349 1204 1 4 . 1 1 61 61 SER N N 61 116.498 116.498 116.322 0.176 18349 1205 1 4 . 1 1 61 61 SER HA H 61 4.876 4.876 4.594 0.282 18349 1206 1 4 . 1 1 61 61 SER CA C 61 58.232 58.232 58.109 0.123 18349 1207 1 4 . 1 1 61 61 SER CB C 61 64.611 64.611 64.388 0.223 18349 1208 1 4 . 1 1 62 62 ASP N N 62 117.813 117.813 121.797 -3.984 18349 1209 1 4 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.869 0.207 18349 1210 1 4 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.507 -0.261 18349 1211 1 4 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.731 1.444 18349 1212 1 4 . 1 1 63 63 LEU N N 63 122.385 122.385 125.799 -3.414 18349 1213 1 4 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.195 -0.372 18349 1214 1 4 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.672 -0.854 18349 1215 1 4 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.161 -0.186 18349 1216 1 4 . 1 1 64 64 GLN N N 64 121.981 121.981 119.233 2.748 18349 1217 1 4 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.008 0.002 18349 1218 1 4 . 1 1 64 64 GLN CA C 64 59.379 59.379 58.836 0.543 18349 1219 1 4 . 1 1 64 64 GLN CB C 64 27.595 27.595 27.984 -0.389 18349 1220 1 4 . 1 1 65 65 SER N N 65 118.758 118.758 115.585 3.173 18349 1221 1 4 . 1 1 65 65 SER HA H 65 4.220 4.220 4.317 -0.097 18349 1222 1 4 . 1 1 65 65 SER CA C 65 62.205 62.205 61.912 0.293 18349 1223 1 4 . 1 1 65 65 SER CB C 65 62.355 62.355 63.189 -0.834 18349 1224 1 4 . 1 1 66 66 LEU N N 66 125.879 125.879 122.807 3.072 18349 1225 1 4 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.658 -0.477 18349 1226 1 4 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.166 0.973 18349 1227 1 4 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.267 0.002 18349 1228 1 4 . 1 1 67 67 ARG N N 67 121.270 121.270 119.578 1.692 18349 1229 1 4 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.867 -0.256 18349 1230 1 4 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.930 0.065 18349 1231 1 4 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.029 -0.204 18349 1232 1 4 . 1 1 68 68 LYS N N 68 120.624 120.624 117.928 2.696 18349 1233 1 4 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.066 -0.115 18349 1234 1 4 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.228 0.253 18349 1235 1 4 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.308 -0.015 18349 1236 1 4 . 1 1 69 69 PHE N N 69 122.104 122.104 120.689 1.415 18349 1237 1 4 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.276 -0.020 18349 1238 1 4 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.967 0.248 18349 1239 1 4 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.513 0.658 18349 1240 1 4 . 1 1 70 70 ALA N N 70 121.297 121.297 120.151 1.146 18349 1241 1 4 . 1 1 70 70 ALA HA H 70 3.732 3.732 4.088 -0.356 18349 1242 1 4 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.632 -0.176 18349 1243 1 4 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.002 0.695 18349 1244 1 4 . 1 1 71 71 SER N N 71 109.734 109.734 113.105 -3.371 18349 1245 1 4 . 1 1 71 71 SER HA H 71 3.948 3.948 4.088 -0.140 18349 1246 1 4 . 1 1 71 71 SER CA C 71 60.995 60.995 61.035 -0.040 18349 1247 1 4 . 1 1 71 71 SER CB C 71 63.451 63.451 63.223 0.228 18349 1248 1 4 . 1 1 72 72 GLN N N 72 118.485 118.485 118.173 0.312 18349 1249 1 4 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.156 0.151 18349 1250 1 4 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.741 -1.597 18349 1251 1 4 . 1 1 72 72 GLN CB C 72 29.619 29.619 28.545 1.074 18349 1252 1 4 . 1 1 73 73 LYS N N 73 121.680 121.680 121.298 0.382 18349 1253 1 4 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.289 0.308 18349 1254 1 4 . 1 1 73 73 LYS CA C 73 53.219 53.219 56.029 -2.810 18349 1255 1 4 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.911 0.232 18349 1256 1 4 . 1 1 74 74 SER CA C 74 62.000 62.000 61.910 0.090 18349 1257 1 4 . 1 1 74 74 SER CB C 74 62.392 62.392 63.329 -0.937 18349 1258 1 4 . 1 1 75 75 SER N N 75 115.269 115.269 116.649 -1.380 18349 1259 1 4 . 1 1 75 75 SER HA H 75 4.299 4.299 4.267 0.032 18349 1260 1 4 . 1 1 75 75 SER CA C 75 59.939 59.939 61.424 -1.485 18349 1261 1 4 . 1 1 75 75 SER CB C 75 62.592 62.592 63.315 -0.723 18349 1262 1 4 . 1 1 76 76 MET N N 76 119.989 119.989 120.660 -0.671 18349 1263 1 4 . 1 1 76 76 MET HA H 76 4.338 4.338 4.327 0.011 18349 1264 1 4 . 1 1 76 76 MET CA C 76 57.159 57.159 58.215 -1.056 18349 1265 1 4 . 1 1 76 76 MET CB C 76 34.819 34.819 32.094 2.725 18349 1266 1 4 . 1 1 77 77 LYS N N 77 121.432 121.432 120.279 1.153 18349 1267 1 4 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.031 -0.418 18349 1268 1 4 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.125 1.008 18349 1269 1 4 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.363 -0.104 18349 1270 1 4 . 1 1 78 78 GLU N N 78 117.200 117.200 115.759 1.441 18349 1271 1 4 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.269 -0.140 18349 1272 1 4 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.413 1.117 18349 1273 1 4 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.995 -0.470 18349 1274 1 4 . 1 1 79 79 LEU N N 79 119.315 119.315 119.604 -0.289 18349 1275 1 4 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.198 -0.174 18349 1276 1 4 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.305 -0.223 18349 1277 1 4 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.746 0.125 18349 1278 1 4 . 1 1 80 80 LEU N N 80 114.760 114.760 118.300 -3.540 18349 1279 1 4 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.289 0.007 18349 1280 1 4 . 1 1 80 80 LEU CA C 80 53.874 53.874 54.632 -0.758 18349 1281 1 4 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.314 1.394 18349 1282 1 4 . 1 1 81 81 LYS N N 81 120.468 120.468 117.605 2.863 18349 1283 1 4 . 1 1 81 81 LYS HA H 81 3.912 3.912 3.996 -0.084 18349 1284 1 4 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.939 0.262 18349 1285 1 4 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.602 0.806 18349 1286 1 4 . 1 1 82 82 ASP N N 82 118.031 118.031 118.613 -0.582 18349 1287 1 4 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.568 0.125 18349 1288 1 4 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.411 -1.293 18349 1289 1 4 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.408 0.036 18349 1290 1 4 . 1 1 83 83 VAL N N 83 115.842 115.842 113.171 2.671 18349 1291 1 4 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.258 -0.066 18349 1292 1 4 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.301 -1.489 18349 1293 1 4 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.474 -0.722 18349 1294 1 4 . 1 1 84 84 LEU N N 84 123.084 123.084 123.715 -0.631 18349 1295 1 4 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.700 -0.158 18349 1296 1 4 . 1 1 84 84 LEU CA C 84 52.038 52.038 53.185 -1.147 18349 1297 1 4 . 1 1 84 84 LEU CB C 84 42.140 42.140 41.867 0.273 18349 1298 1 4 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.407 -0.071 18349 1299 1 4 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.174 -0.321 18349 1300 1 4 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.566 0.612 18349 1301 1 4 . 1 1 86 86 GLN N N 86 121.533 121.533 124.289 -2.756 18349 1302 1 4 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.431 -0.287 18349 1303 1 4 . 1 1 86 86 GLN CA C 86 55.689 55.689 55.203 0.486 18349 1304 1 4 . 1 1 86 86 GLN CB C 86 29.618 29.618 29.387 0.231 18349 1305 1 4 . 1 1 87 87 LYS N N 87 123.688 123.688 119.314 4.374 18349 1306 1 4 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.113 0.133 18349 1307 1 4 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.713 -1.472 18349 1308 1 4 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.401 1.127 18349 1309 1 5 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.573 -0.322 18349 1310 1 5 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.483 0.852 18349 1311 1 5 . 1 1 3 3 LEU CB C 3 42.301 42.301 41.075 1.226 18349 1312 1 5 . 1 1 4 4 MET N N 4 121.761 121.761 124.417 -2.656 18349 1313 1 5 . 1 1 4 4 MET HA H 4 4.422 4.422 4.502 -0.080 18349 1314 1 5 . 1 1 4 4 MET CA C 4 55.404 55.404 54.150 1.254 18349 1315 1 5 . 1 1 4 4 MET CB C 4 33.059 33.059 31.312 1.746 18349 1316 1 5 . 1 1 5 5 ASP N N 5 122.449 122.449 124.598 -2.149 18349 1317 1 5 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.785 -0.206 18349 1318 1 5 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.150 0.546 18349 1319 1 5 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.311 -1.004 18349 1320 1 5 . 1 1 6 6 GLU N N 6 121.856 121.856 122.071 -0.215 18349 1321 1 5 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.642 -0.368 18349 1322 1 5 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.868 1.039 18349 1323 1 5 . 1 1 6 6 GLU CB C 6 30.047 30.047 31.079 -1.032 18349 1324 1 5 . 1 1 7 7 GLY N N 7 110.268 110.268 109.503 0.765 18349 1325 1 5 . 1 1 7 7 GLY CA C 7 45.538 45.538 45.346 0.192 18349 1326 1 5 . 1 1 8 8 ALA N N 8 123.141 123.141 121.203 1.938 18349 1327 1 5 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.366 0.157 18349 1328 1 5 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.597 0.253 18349 1329 1 5 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.400 0.332 18349 1330 1 5 . 1 1 9 9 VAL N N 9 120.521 120.521 122.127 -1.606 18349 1331 1 5 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.204 0.015 18349 1332 1 5 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.761 0.140 18349 1333 1 5 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.333 1.603 18349 1334 1 5 . 1 1 10 10 LEU N N 10 128.790 128.790 129.594 -0.804 18349 1335 1 5 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.251 0.408 18349 1336 1 5 . 1 1 10 10 LEU CA C 10 54.202 54.202 55.975 -1.773 18349 1337 1 5 . 1 1 10 10 LEU CB C 10 43.815 43.815 41.877 1.938 18349 1338 1 5 . 1 1 11 11 THR HA H 11 5.349 5.349 4.607 0.742 18349 1339 1 5 . 1 1 11 11 THR CA C 11 60.386 60.386 61.190 -0.804 18349 1340 1 5 . 1 1 11 11 THR CB C 11 72.001 72.001 70.636 1.365 18349 1341 1 5 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.584 -0.123 18349 1342 1 5 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.565 -0.144 18349 1343 1 5 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.390 1.043 18349 1344 1 5 . 1 1 13 13 ALA N N 13 125.942 125.942 122.771 3.171 18349 1345 1 5 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.207 0.104 18349 1346 1 5 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.693 -0.720 18349 1347 1 5 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.372 0.886 18349 1348 1 5 . 1 1 14 14 ALA N N 14 125.619 125.619 125.116 0.503 18349 1349 1 5 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.051 0.070 18349 1350 1 5 . 1 1 14 14 ALA CA C 14 54.677 54.677 53.850 0.827 18349 1351 1 5 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.630 -0.264 18349 1352 1 5 . 1 1 15 15 ASP N N 15 114.584 114.584 118.211 -3.627 18349 1353 1 5 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.666 -0.184 18349 1354 1 5 . 1 1 15 15 ASP CA C 15 52.858 52.858 53.500 -0.642 18349 1355 1 5 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.679 -0.615 18349 1356 1 5 . 1 1 16 16 LEU N N 16 115.700 115.700 117.496 -1.796 18349 1357 1 5 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.059 -0.392 18349 1358 1 5 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.609 0.780 18349 1359 1 5 . 1 1 16 16 LEU CB C 16 40.261 40.261 39.371 0.890 18349 1360 1 5 . 1 1 17 17 SER N N 17 112.160 112.160 114.193 -2.033 18349 1361 1 5 . 1 1 17 17 SER HA H 17 4.389 4.389 4.504 -0.115 18349 1362 1 5 . 1 1 17 17 SER CA C 17 59.732 59.732 58.213 1.519 18349 1363 1 5 . 1 1 17 17 SER CB C 17 64.092 64.092 63.331 0.761 18349 1364 1 5 . 1 1 18 18 SER N N 18 114.973 114.973 117.531 -2.558 18349 1365 1 5 . 1 1 18 18 SER HA H 18 5.024 5.024 4.398 0.626 18349 1366 1 5 . 1 1 18 18 SER CA C 18 56.996 56.996 58.408 -1.412 18349 1367 1 5 . 1 1 18 18 SER CB C 18 65.549 65.549 63.157 2.392 18349 1368 1 5 . 1 1 19 19 ALA N N 19 122.800 122.800 131.004 -8.204 18349 1369 1 5 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.534 0.459 18349 1370 1 5 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.533 -0.896 18349 1371 1 5 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.675 3.846 18349 1372 1 5 . 1 1 20 20 THR N N 20 115.578 115.578 116.042 -0.464 18349 1373 1 5 . 1 1 20 20 THR HA H 20 5.016 5.016 4.524 0.492 18349 1374 1 5 . 1 1 20 20 THR CA C 20 61.219 61.219 61.958 -0.739 18349 1375 1 5 . 1 1 20 20 THR CB C 20 71.159 71.159 69.635 1.524 18349 1376 1 5 . 1 1 21 21 LEU N N 21 126.796 126.796 128.915 -2.119 18349 1377 1 5 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.244 0.477 18349 1378 1 5 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.921 -1.242 18349 1379 1 5 . 1 1 21 21 LEU CB C 21 44.900 44.900 41.974 2.926 18349 1380 1 5 . 1 1 22 22 ASP N N 22 124.700 124.700 125.306 -0.606 18349 1381 1 5 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.642 0.115 18349 1382 1 5 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.817 -0.800 18349 1383 1 5 . 1 1 22 22 ASP CB C 22 41.983 41.983 41.673 0.310 18349 1384 1 5 . 1 1 23 23 ILE N N 23 124.629 124.629 118.763 5.866 18349 1385 1 5 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.323 -0.292 18349 1386 1 5 . 1 1 23 23 ILE CA C 23 59.629 59.629 61.504 -1.875 18349 1387 1 5 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.636 -0.574 18349 1388 1 5 . 1 1 24 24 SER N N 24 125.361 125.361 120.714 4.647 18349 1389 1 5 . 1 1 24 24 SER HA H 24 4.398 4.398 4.540 -0.142 18349 1390 1 5 . 1 1 24 24 SER CA C 24 58.184 58.184 58.325 -0.141 18349 1391 1 5 . 1 1 24 24 SER CB C 24 64.557 64.557 63.990 0.567 18349 1392 1 5 . 1 1 25 25 LYS N N 25 124.630 124.630 121.398 3.232 18349 1393 1 5 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.409 -0.228 18349 1394 1 5 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.601 2.826 18349 1395 1 5 . 1 1 25 25 LYS CB C 25 32.042 32.042 33.166 -1.124 18349 1396 1 5 . 1 1 26 26 GLN N N 26 117.379 117.379 120.465 -3.086 18349 1397 1 5 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.232 -0.166 18349 1398 1 5 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.514 3.807 18349 1399 1 5 . 1 1 26 26 GLN CB C 26 28.773 28.773 26.735 2.038 18349 1400 1 5 . 1 1 27 27 TRP N N 27 118.412 118.412 122.228 -3.816 18349 1401 1 5 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.997 -0.436 18349 1402 1 5 . 1 1 27 27 TRP CA C 27 60.228 60.228 55.304 4.924 18349 1403 1 5 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.086 1.035 18349 1404 1 5 . 1 1 28 28 SER N N 28 117.604 117.604 115.299 2.305 18349 1405 1 5 . 1 1 28 28 SER HA H 28 4.009 4.009 4.406 -0.397 18349 1406 1 5 . 1 1 28 28 SER CA C 28 62.130 62.130 58.976 3.154 18349 1407 1 5 . 1 1 28 28 SER CB C 28 62.273 62.273 62.866 -0.593 18349 1408 1 5 . 1 1 29 29 ASN N N 29 121.383 121.383 117.840 3.543 18349 1409 1 5 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.808 -0.213 18349 1410 1 5 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.380 2.444 18349 1411 1 5 . 1 1 29 29 ASN CB C 29 38.163 38.163 39.418 -1.255 18349 1412 1 5 . 1 1 30 30 VAL CA C 30 56.222 56.222 62.327 -6.105 18349 1413 1 5 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.054 -2.560 18349 1414 1 5 . 1 1 31 31 PHE N N 31 121.135 121.135 120.795 0.340 18349 1415 1 5 . 1 1 31 31 PHE HA H 31 3.517 3.517 3.929 -0.412 18349 1416 1 5 . 1 1 31 31 PHE CA C 31 62.835 62.835 59.131 3.704 18349 1417 1 5 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.919 3.237 18349 1418 1 5 . 1 1 32 32 ASN N N 32 117.099 117.099 117.829 -0.730 18349 1419 1 5 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.037 0.331 18349 1420 1 5 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.176 0.839 18349 1421 1 5 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.255 0.584 18349 1422 1 5 . 1 1 33 33 ILE N N 33 120.541 120.541 118.811 1.730 18349 1423 1 5 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.772 0.017 18349 1424 1 5 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.060 0.460 18349 1425 1 5 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.029 1.310 18349 1426 1 5 . 1 1 34 34 LEU N N 34 121.099 121.099 119.196 1.903 18349 1427 1 5 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.833 0.025 18349 1428 1 5 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.633 0.186 18349 1429 1 5 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.118 -0.453 18349 1430 1 5 . 1 1 35 35 ARG N N 35 122.638 122.638 120.132 2.506 18349 1431 1 5 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.174 -0.318 18349 1432 1 5 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.130 -0.009 18349 1433 1 5 . 1 1 35 35 ARG CB C 35 29.849 29.849 29.897 -0.048 18349 1434 1 5 . 1 1 36 36 GLU N N 36 120.533 120.533 118.606 1.927 18349 1435 1 5 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.260 -0.150 18349 1436 1 5 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.257 -0.047 18349 1437 1 5 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.366 0.363 18349 1438 1 5 . 1 1 37 37 ASN N N 37 115.321 115.321 115.995 -0.674 18349 1439 1 5 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.938 -0.100 18349 1440 1 5 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.515 0.229 18349 1441 1 5 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.321 1.225 18349 1442 1 5 . 1 1 38 38 ASP N N 38 111.921 111.921 117.138 -5.217 18349 1443 1 5 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.444 0.241 18349 1444 1 5 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.461 1.050 18349 1445 1 5 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.945 -0.743 18349 1446 1 5 . 1 1 39 39 PHE N N 39 114.378 114.378 117.742 -3.364 18349 1447 1 5 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.397 0.187 18349 1448 1 5 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.679 0.739 18349 1449 1 5 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.603 -0.638 18349 1450 1 5 . 1 1 40 40 GLU N N 40 115.531 115.531 119.183 -3.652 18349 1451 1 5 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.185 -0.277 18349 1452 1 5 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.583 0.672 18349 1453 1 5 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.338 -0.612 18349 1454 1 5 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.635 0.658 18349 1455 1 5 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.789 -0.890 18349 1456 1 5 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.317 0.834 18349 1457 1 5 . 1 1 42 42 LYS N N 42 118.255 118.255 121.080 -2.825 18349 1458 1 5 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.485 0.215 18349 1459 1 5 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.960 -0.484 18349 1460 1 5 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.648 3.075 18349 1461 1 5 . 1 1 43 43 PHE N N 43 122.245 122.245 123.930 -1.685 18349 1462 1 5 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.496 0.949 18349 1463 1 5 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.238 0.258 18349 1464 1 5 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.359 1.770 18349 1465 1 5 . 1 1 44 44 LEU N N 44 124.272 124.272 124.393 -0.121 18349 1466 1 5 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.162 0.651 18349 1467 1 5 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.842 -1.632 18349 1468 1 5 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.111 3.254 18349 1469 1 5 . 1 1 45 45 CYS N N 45 120.218 120.218 127.374 -7.156 18349 1470 1 5 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.344 0.846 18349 1471 1 5 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.151 -1.270 18349 1472 1 5 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.412 3.097 18349 1473 1 5 . 1 1 46 46 GLU N N 46 127.444 127.444 126.915 0.529 18349 1474 1 5 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.362 0.240 18349 1475 1 5 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.321 -0.123 18349 1476 1 5 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.481 2.897 18349 1477 1 5 . 1 1 47 47 VAL N N 47 126.664 126.664 123.293 3.371 18349 1478 1 5 . 1 1 47 47 VAL HA H 47 4.732 4.732 3.880 0.852 18349 1479 1 5 . 1 1 47 47 VAL CA C 47 61.110 61.110 63.372 -2.262 18349 1480 1 5 . 1 1 47 47 VAL CB C 47 33.464 33.464 31.638 1.826 18349 1481 1 5 . 1 1 48 48 LYS N N 48 124.434 124.434 127.420 -2.986 18349 1482 1 5 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.900 -0.033 18349 1483 1 5 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.172 -0.020 18349 1484 1 5 . 1 1 48 48 LYS CB C 48 36.771 36.771 34.147 2.624 18349 1485 1 5 . 1 1 49 49 LEU N N 49 124.048 124.048 124.484 -0.436 18349 1486 1 5 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.381 0.530 18349 1487 1 5 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.824 -0.857 18349 1488 1 5 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.869 5.112 18349 1489 1 5 . 1 1 50 50 ALA N N 50 130.149 130.149 129.591 0.558 18349 1490 1 5 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.243 1.597 18349 1491 1 5 . 1 1 50 50 ALA CA C 50 49.275 49.275 51.040 -1.765 18349 1492 1 5 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.597 5.437 18349 1493 1 5 . 1 1 51 51 PHE N N 51 115.001 115.001 119.140 -4.139 18349 1494 1 5 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.824 -0.013 18349 1495 1 5 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.620 1.115 18349 1496 1 5 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.171 -0.909 18349 1497 1 5 . 1 1 52 52 LYS N N 52 122.139 122.139 122.001 0.138 18349 1498 1 5 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.428 0.476 18349 1499 1 5 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.759 -0.389 18349 1500 1 5 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.783 1.292 18349 1501 1 5 . 1 1 53 53 CYS N N 53 125.893 125.893 128.449 -2.556 18349 1502 1 5 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.866 -0.065 18349 1503 1 5 . 1 1 53 53 CYS CA C 53 58.656 58.656 57.704 0.952 18349 1504 1 5 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.113 0.841 18349 1505 1 5 . 1 1 54 54 ASP N N 54 131.027 131.027 127.363 3.664 18349 1506 1 5 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.380 -0.024 18349 1507 1 5 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.668 0.121 18349 1508 1 5 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.209 -0.367 18349 1509 1 5 . 1 1 55 55 GLY N N 55 104.172 104.172 104.728 -0.556 18349 1510 1 5 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.955 0.730 18349 1511 1 5 . 1 1 56 56 GLU N N 56 120.557 120.557 121.120 -0.563 18349 1512 1 5 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.702 -0.063 18349 1513 1 5 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.359 -0.290 18349 1514 1 5 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.267 2.231 18349 1515 1 5 . 1 1 57 57 ILE N N 57 123.029 123.029 123.683 -0.654 18349 1516 1 5 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.372 -0.016 18349 1517 1 5 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.988 -0.179 18349 1518 1 5 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.098 -0.222 18349 1519 1 5 . 1 1 58 58 LYS N N 58 130.275 130.275 129.875 0.400 18349 1520 1 5 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.066 0.124 18349 1521 1 5 . 1 1 58 58 LYS CA C 58 52.259 52.259 52.847 -0.588 18349 1522 1 5 . 1 1 58 58 LYS CB C 58 33.114 33.114 30.841 2.273 18349 1523 1 5 . 1 1 59 59 THR N N 59 112.811 112.811 115.865 -3.054 18349 1524 1 5 . 1 1 59 59 THR HA H 59 5.100 5.100 4.174 0.926 18349 1525 1 5 . 1 1 59 59 THR CA C 59 60.409 60.409 61.779 -1.371 18349 1526 1 5 . 1 1 59 59 THR CB C 59 70.886 70.886 67.987 2.899 18349 1527 1 5 . 1 1 60 60 PHE N N 60 121.789 121.789 127.393 -5.604 18349 1528 1 5 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.689 0.079 18349 1529 1 5 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.373 0.250 18349 1530 1 5 . 1 1 60 60 PHE CB C 60 44.138 44.138 41.743 2.395 18349 1531 1 5 . 1 1 61 61 SER N N 61 116.498 116.498 118.327 -1.829 18349 1532 1 5 . 1 1 61 61 SER HA H 61 4.876 4.876 4.718 0.158 18349 1533 1 5 . 1 1 61 61 SER CA C 61 58.232 58.232 58.056 0.176 18349 1534 1 5 . 1 1 61 61 SER CB C 61 64.611 64.611 63.648 0.963 18349 1535 1 5 . 1 1 62 62 ASP N N 62 117.813 117.813 119.156 -1.343 18349 1536 1 5 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.731 0.345 18349 1537 1 5 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.011 0.234 18349 1538 1 5 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.166 1.009 18349 1539 1 5 . 1 1 63 63 LEU N N 63 122.385 122.385 121.495 0.890 18349 1540 1 5 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.307 -0.484 18349 1541 1 5 . 1 1 63 63 LEU CA C 63 56.818 56.818 56.787 0.031 18349 1542 1 5 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.502 -0.527 18349 1543 1 5 . 1 1 64 64 GLN N N 64 121.981 121.981 120.229 1.752 18349 1544 1 5 . 1 1 64 64 GLN HA H 64 4.010 4.010 3.971 0.039 18349 1545 1 5 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.480 -0.100 18349 1546 1 5 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.353 -0.758 18349 1547 1 5 . 1 1 65 65 SER N N 65 118.758 118.758 115.145 3.613 18349 1548 1 5 . 1 1 65 65 SER HA H 65 4.220 4.220 4.305 -0.085 18349 1549 1 5 . 1 1 65 65 SER CA C 65 62.205 62.205 61.084 1.121 18349 1550 1 5 . 1 1 65 65 SER CB C 65 62.355 62.355 63.123 -0.768 18349 1551 1 5 . 1 1 66 66 LEU N N 66 125.879 125.879 123.080 2.799 18349 1552 1 5 . 1 1 66 66 LEU HA H 66 3.181 3.181 2.748 0.433 18349 1553 1 5 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.919 1.220 18349 1554 1 5 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.284 -0.015 18349 1555 1 5 . 1 1 67 67 ARG N N 67 121.270 121.270 119.360 1.910 18349 1556 1 5 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.883 -0.272 18349 1557 1 5 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.154 -0.159 18349 1558 1 5 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.941 -0.116 18349 1559 1 5 . 1 1 68 68 LYS N N 68 120.624 120.624 117.884 2.740 18349 1560 1 5 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.035 -0.084 18349 1561 1 5 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.455 0.027 18349 1562 1 5 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.004 0.289 18349 1563 1 5 . 1 1 69 69 PHE N N 69 122.104 122.104 119.783 2.321 18349 1564 1 5 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.517 -0.261 18349 1565 1 5 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.338 0.877 18349 1566 1 5 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.003 1.168 18349 1567 1 5 . 1 1 70 70 ALA N N 70 121.297 121.297 120.675 0.622 18349 1568 1 5 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.895 -0.163 18349 1569 1 5 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.812 -0.356 18349 1570 1 5 . 1 1 70 70 ALA CB C 70 18.697 18.697 17.925 0.772 18349 1571 1 5 . 1 1 71 71 SER N N 71 109.734 109.734 113.554 -3.820 18349 1572 1 5 . 1 1 71 71 SER HA H 71 3.948 3.948 4.225 -0.277 18349 1573 1 5 . 1 1 71 71 SER CA C 71 60.995 60.995 60.633 0.362 18349 1574 1 5 . 1 1 71 71 SER CB C 71 63.451 63.451 63.006 0.445 18349 1575 1 5 . 1 1 72 72 GLN N N 72 118.485 118.485 116.908 1.577 18349 1576 1 5 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.382 -0.075 18349 1577 1 5 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.639 -0.495 18349 1578 1 5 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.300 0.319 18349 1579 1 5 . 1 1 73 73 LYS N N 73 121.680 121.680 122.501 -0.821 18349 1580 1 5 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.472 0.125 18349 1581 1 5 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.112 -0.893 18349 1582 1 5 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.788 0.354 18349 1583 1 5 . 1 1 74 74 SER CA C 74 62.000 62.000 61.797 0.203 18349 1584 1 5 . 1 1 74 74 SER CB C 74 62.392 62.392 62.972 -0.580 18349 1585 1 5 . 1 1 75 75 SER N N 75 115.269 115.269 117.660 -2.391 18349 1586 1 5 . 1 1 75 75 SER HA H 75 4.299 4.299 4.198 0.101 18349 1587 1 5 . 1 1 75 75 SER CA C 75 59.939 59.939 60.695 -0.756 18349 1588 1 5 . 1 1 75 75 SER CB C 75 62.592 62.592 62.782 -0.190 18349 1589 1 5 . 1 1 76 76 MET N N 76 119.989 119.989 121.361 -1.372 18349 1590 1 5 . 1 1 76 76 MET HA H 76 4.338 4.338 4.278 0.060 18349 1591 1 5 . 1 1 76 76 MET CA C 76 57.159 57.159 57.974 -0.815 18349 1592 1 5 . 1 1 76 76 MET CB C 76 34.819 34.819 32.227 2.592 18349 1593 1 5 . 1 1 77 77 LYS N N 77 121.432 121.432 120.322 1.110 18349 1594 1 5 . 1 1 77 77 LYS HA H 77 3.613 3.613 3.946 -0.333 18349 1595 1 5 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.615 0.518 18349 1596 1 5 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.327 -0.068 18349 1597 1 5 . 1 1 78 78 GLU N N 78 117.200 117.200 115.091 2.109 18349 1598 1 5 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.344 -0.215 18349 1599 1 5 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.077 1.453 18349 1600 1 5 . 1 1 78 78 GLU CB C 78 29.525 29.525 30.290 -0.765 18349 1601 1 5 . 1 1 79 79 LEU N N 79 119.315 119.315 118.355 0.960 18349 1602 1 5 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.336 -0.312 18349 1603 1 5 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.349 0.733 18349 1604 1 5 . 1 1 79 79 LEU CB C 79 42.871 42.871 43.063 -0.192 18349 1605 1 5 . 1 1 80 80 LEU N N 80 114.760 114.760 117.539 -2.779 18349 1606 1 5 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.274 0.022 18349 1607 1 5 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.697 -1.823 18349 1608 1 5 . 1 1 80 80 LEU CB C 80 41.708 41.708 41.090 0.618 18349 1609 1 5 . 1 1 81 81 LYS N N 81 120.468 120.468 118.739 1.729 18349 1610 1 5 . 1 1 81 81 LYS HA H 81 3.912 3.912 3.895 0.017 18349 1611 1 5 . 1 1 81 81 LYS CA C 81 59.201 59.201 59.067 0.134 18349 1612 1 5 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.632 0.777 18349 1613 1 5 . 1 1 82 82 ASP N N 82 118.031 118.031 118.062 -0.031 18349 1614 1 5 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.502 0.191 18349 1615 1 5 . 1 1 82 82 ASP CA C 82 55.118 55.118 55.970 -0.852 18349 1616 1 5 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.285 0.161 18349 1617 1 5 . 1 1 83 83 VAL N N 83 115.842 115.842 118.912 -3.070 18349 1618 1 5 . 1 1 83 83 VAL HA H 83 4.192 4.192 3.869 0.323 18349 1619 1 5 . 1 1 83 83 VAL CA C 83 61.812 61.812 64.105 -2.293 18349 1620 1 5 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.351 0.402 18349 1621 1 5 . 1 1 84 84 LEU N N 84 123.084 123.084 121.248 1.836 18349 1622 1 5 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.612 -0.070 18349 1623 1 5 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.564 -0.526 18349 1624 1 5 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.028 0.112 18349 1625 1 5 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.482 -0.146 18349 1626 1 5 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.040 -0.187 18349 1627 1 5 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.487 0.691 18349 1628 1 5 . 1 1 86 86 GLN N N 86 121.533 121.533 123.897 -2.364 18349 1629 1 5 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.644 -0.500 18349 1630 1 5 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.950 0.739 18349 1631 1 5 . 1 1 86 86 GLN CB C 86 29.618 29.618 31.095 -1.477 18349 1632 1 5 . 1 1 87 87 LYS N N 87 123.688 123.688 121.027 2.661 18349 1633 1 5 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.481 -0.235 18349 1634 1 5 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.366 -0.125 18349 1635 1 5 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.995 0.533 18349 1636 1 6 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.779 -0.528 18349 1637 1 6 . 1 1 3 3 LEU CA C 3 55.335 55.335 53.910 1.425 18349 1638 1 6 . 1 1 3 3 LEU CB C 3 42.301 42.301 44.724 -2.423 18349 1639 1 6 . 1 1 4 4 MET N N 4 121.761 121.761 121.998 -0.237 18349 1640 1 6 . 1 1 4 4 MET HA H 4 4.422 4.422 4.623 -0.201 18349 1641 1 6 . 1 1 4 4 MET CA C 4 55.404 55.404 56.124 -0.721 18349 1642 1 6 . 1 1 4 4 MET CB C 4 33.059 33.059 31.706 1.353 18349 1643 1 6 . 1 1 5 5 ASP N N 5 122.449 122.449 122.754 -0.305 18349 1644 1 6 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.675 -0.096 18349 1645 1 6 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.988 0.708 18349 1646 1 6 . 1 1 5 5 ASP CB C 5 41.307 41.307 43.528 -2.221 18349 1647 1 6 . 1 1 6 6 GLU N N 6 121.856 121.856 120.791 1.065 18349 1648 1 6 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.546 -0.272 18349 1649 1 6 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.119 0.788 18349 1650 1 6 . 1 1 6 6 GLU CB C 6 30.047 30.047 29.632 0.415 18349 1651 1 6 . 1 1 7 7 GLY N N 7 110.268 110.268 111.137 -0.869 18349 1652 1 6 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.465 1.073 18349 1653 1 6 . 1 1 8 8 ALA N N 8 123.141 123.141 127.122 -3.981 18349 1654 1 6 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.672 -0.149 18349 1655 1 6 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.389 0.461 18349 1656 1 6 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.370 0.362 18349 1657 1 6 . 1 1 9 9 VAL N N 9 120.521 120.521 122.989 -2.468 18349 1658 1 6 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.360 -0.141 18349 1659 1 6 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.794 0.107 18349 1660 1 6 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.625 1.311 18349 1661 1 6 . 1 1 10 10 LEU N N 10 128.790 128.790 128.094 0.696 18349 1662 1 6 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.640 0.019 18349 1663 1 6 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.590 -0.388 18349 1664 1 6 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.543 1.272 18349 1665 1 6 . 1 1 11 11 THR HA H 11 5.349 5.349 4.367 0.982 18349 1666 1 6 . 1 1 11 11 THR CA C 11 60.386 60.386 61.370 -0.984 18349 1667 1 6 . 1 1 11 11 THR CB C 11 72.001 72.001 69.883 2.118 18349 1668 1 6 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.346 0.115 18349 1669 1 6 . 1 1 12 12 LEU CA C 12 54.421 54.421 55.779 -1.359 18349 1670 1 6 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.341 1.092 18349 1671 1 6 . 1 1 13 13 ALA N N 13 125.942 125.942 121.784 4.158 18349 1672 1 6 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.171 0.140 18349 1673 1 6 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.621 -0.648 18349 1674 1 6 . 1 1 13 13 ALA CB C 13 20.258 20.258 17.964 2.294 18349 1675 1 6 . 1 1 14 14 ALA N N 14 125.619 125.619 121.628 3.991 18349 1676 1 6 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.106 0.015 18349 1677 1 6 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.287 2.390 18349 1678 1 6 . 1 1 14 14 ALA CB C 14 18.366 18.366 17.919 0.447 18349 1679 1 6 . 1 1 15 15 ASP N N 15 114.584 114.584 121.862 -7.278 18349 1680 1 6 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.283 0.199 18349 1681 1 6 . 1 1 15 15 ASP CA C 15 52.858 52.858 57.078 -4.220 18349 1682 1 6 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.535 0.529 18349 1683 1 6 . 1 1 16 16 LEU N N 16 115.700 115.700 119.278 -3.578 18349 1684 1 6 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.397 -0.730 18349 1685 1 6 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.453 0.936 18349 1686 1 6 . 1 1 16 16 LEU CB C 16 40.261 40.261 43.178 -2.917 18349 1687 1 6 . 1 1 17 17 SER N N 17 112.160 112.160 113.809 -1.649 18349 1688 1 6 . 1 1 17 17 SER HA H 17 4.389 4.389 4.283 0.106 18349 1689 1 6 . 1 1 17 17 SER CA C 17 59.732 59.732 57.870 1.862 18349 1690 1 6 . 1 1 17 17 SER CB C 17 64.092 64.092 63.131 0.961 18349 1691 1 6 . 1 1 18 18 SER N N 18 114.973 114.973 121.066 -6.093 18349 1692 1 6 . 1 1 18 18 SER HA H 18 5.024 5.024 4.518 0.506 18349 1693 1 6 . 1 1 18 18 SER CA C 18 56.996 56.996 58.435 -1.439 18349 1694 1 6 . 1 1 18 18 SER CB C 18 65.549 65.549 62.391 3.158 18349 1695 1 6 . 1 1 19 19 ALA N N 19 122.800 122.800 126.695 -3.895 18349 1696 1 6 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.633 0.360 18349 1697 1 6 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.553 -0.916 18349 1698 1 6 . 1 1 19 19 ALA CB C 19 23.521 23.521 20.488 3.033 18349 1699 1 6 . 1 1 20 20 THR N N 20 115.578 115.578 113.733 1.845 18349 1700 1 6 . 1 1 20 20 THR HA H 20 5.016 5.016 4.623 0.393 18349 1701 1 6 . 1 1 20 20 THR CA C 20 61.219 61.219 61.773 -0.554 18349 1702 1 6 . 1 1 20 20 THR CB C 20 71.159 71.159 69.163 1.996 18349 1703 1 6 . 1 1 21 21 LEU N N 21 126.796 126.796 120.419 6.377 18349 1704 1 6 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.803 -0.082 18349 1705 1 6 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.416 -0.737 18349 1706 1 6 . 1 1 21 21 LEU CB C 21 44.900 44.900 43.580 1.320 18349 1707 1 6 . 1 1 22 22 ASP N N 22 124.700 124.700 119.253 5.447 18349 1708 1 6 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.819 -0.062 18349 1709 1 6 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.340 0.677 18349 1710 1 6 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.616 -1.633 18349 1711 1 6 . 1 1 23 23 ILE N N 23 124.629 124.629 122.237 2.392 18349 1712 1 6 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.213 -0.182 18349 1713 1 6 . 1 1 23 23 ILE CA C 23 59.629 59.629 61.044 -1.415 18349 1714 1 6 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.601 -0.539 18349 1715 1 6 . 1 1 24 24 SER N N 24 125.361 125.361 123.444 1.917 18349 1716 1 6 . 1 1 24 24 SER HA H 24 4.398 4.398 4.522 -0.124 18349 1717 1 6 . 1 1 24 24 SER CA C 24 58.184 58.184 57.950 0.234 18349 1718 1 6 . 1 1 24 24 SER CB C 24 64.557 64.557 63.975 0.582 18349 1719 1 6 . 1 1 25 25 LYS N N 25 124.630 124.630 121.892 2.738 18349 1720 1 6 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.214 -0.033 18349 1721 1 6 . 1 1 25 25 LYS CA C 25 58.427 58.427 54.534 3.893 18349 1722 1 6 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.854 -0.812 18349 1723 1 6 . 1 1 26 26 GLN N N 26 117.379 117.379 123.416 -6.037 18349 1724 1 6 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.097 -0.031 18349 1725 1 6 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.345 3.976 18349 1726 1 6 . 1 1 26 26 GLN CB C 26 28.773 28.773 28.596 0.177 18349 1727 1 6 . 1 1 27 27 TRP N N 27 118.412 118.412 126.013 -7.601 18349 1728 1 6 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.662 -0.101 18349 1729 1 6 . 1 1 27 27 TRP CA C 27 60.228 60.228 56.411 3.817 18349 1730 1 6 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.748 0.373 18349 1731 1 6 . 1 1 28 28 SER N N 28 117.604 117.604 114.974 2.630 18349 1732 1 6 . 1 1 28 28 SER HA H 28 4.009 4.009 4.294 -0.285 18349 1733 1 6 . 1 1 28 28 SER CA C 28 62.130 62.130 60.744 1.386 18349 1734 1 6 . 1 1 28 28 SER CB C 28 62.273 62.273 63.362 -1.089 18349 1735 1 6 . 1 1 29 29 ASN N N 29 121.383 121.383 119.591 1.792 18349 1736 1 6 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.692 -0.097 18349 1737 1 6 . 1 1 29 29 ASN CA C 29 55.824 55.824 52.358 3.466 18349 1738 1 6 . 1 1 29 29 ASN CB C 29 38.163 38.163 38.100 0.063 18349 1739 1 6 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.240 -7.018 18349 1740 1 6 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.747 -3.253 18349 1741 1 6 . 1 1 31 31 PHE N N 31 121.135 121.135 113.150 7.985 18349 1742 1 6 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.841 -1.324 18349 1743 1 6 . 1 1 31 31 PHE CA C 31 62.835 62.835 56.169 6.666 18349 1744 1 6 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.618 1.538 18349 1745 1 6 . 1 1 32 32 ASN N N 32 117.099 117.099 122.181 -5.082 18349 1746 1 6 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.439 -0.071 18349 1747 1 6 . 1 1 32 32 ASN CA C 32 57.015 57.015 57.137 -0.122 18349 1748 1 6 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.755 0.083 18349 1749 1 6 . 1 1 33 33 ILE N N 33 120.541 120.541 119.500 1.041 18349 1750 1 6 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.736 0.053 18349 1751 1 6 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.262 0.258 18349 1752 1 6 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.926 1.413 18349 1753 1 6 . 1 1 34 34 LEU N N 34 121.099 121.099 119.066 2.033 18349 1754 1 6 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.738 0.120 18349 1755 1 6 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.802 0.017 18349 1756 1 6 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.150 -0.485 18349 1757 1 6 . 1 1 35 35 ARG N N 35 122.638 122.638 120.058 2.580 18349 1758 1 6 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.076 -0.220 18349 1759 1 6 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.597 -0.476 18349 1760 1 6 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.238 -0.390 18349 1761 1 6 . 1 1 36 36 GLU N N 36 120.533 120.533 118.123 2.410 18349 1762 1 6 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.208 -0.098 18349 1763 1 6 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.434 -0.223 18349 1764 1 6 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.330 0.399 18349 1765 1 6 . 1 1 37 37 ASN N N 37 115.321 115.321 115.611 -0.290 18349 1766 1 6 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.951 -0.113 18349 1767 1 6 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.451 0.293 18349 1768 1 6 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.332 1.214 18349 1769 1 6 . 1 1 38 38 ASP N N 38 111.921 111.921 118.555 -6.634 18349 1770 1 6 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.441 0.244 18349 1771 1 6 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.245 1.266 18349 1772 1 6 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.555 -1.353 18349 1773 1 6 . 1 1 39 39 PHE N N 39 114.378 114.378 119.456 -5.078 18349 1774 1 6 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.629 -0.045 18349 1775 1 6 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.154 2.264 18349 1776 1 6 . 1 1 39 39 PHE CB C 39 38.965 38.965 40.175 -1.210 18349 1777 1 6 . 1 1 40 40 GLU N N 40 115.531 115.531 119.986 -4.455 18349 1778 1 6 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.202 -0.294 18349 1779 1 6 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.757 0.498 18349 1780 1 6 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.619 -0.893 18349 1781 1 6 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.576 0.717 18349 1782 1 6 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.913 -1.014 18349 1783 1 6 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.232 0.919 18349 1784 1 6 . 1 1 42 42 LYS N N 42 118.255 118.255 120.295 -2.040 18349 1785 1 6 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.611 0.089 18349 1786 1 6 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.327 0.149 18349 1787 1 6 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.856 2.867 18349 1788 1 6 . 1 1 43 43 PHE N N 43 122.245 122.245 121.263 0.982 18349 1789 1 6 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.619 0.826 18349 1790 1 6 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.094 -0.598 18349 1791 1 6 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.375 1.754 18349 1792 1 6 . 1 1 44 44 LEU N N 44 124.272 124.272 124.945 -0.673 18349 1793 1 6 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.361 0.452 18349 1794 1 6 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.782 -1.572 18349 1795 1 6 . 1 1 44 44 LEU CB C 44 44.365 44.365 42.826 1.539 18349 1796 1 6 . 1 1 45 45 CYS N N 45 120.218 120.218 121.041 -0.823 18349 1797 1 6 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.380 0.810 18349 1798 1 6 . 1 1 45 45 CYS CA C 45 56.881 56.881 57.846 -0.965 18349 1799 1 6 . 1 1 45 45 CYS CB C 45 30.509 30.509 28.266 2.243 18349 1800 1 6 . 1 1 46 46 GLU N N 46 127.444 127.444 126.256 1.188 18349 1801 1 6 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.261 0.341 18349 1802 1 6 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.337 -1.139 18349 1803 1 6 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.648 3.730 18349 1804 1 6 . 1 1 47 47 VAL N N 47 126.664 126.664 125.141 1.523 18349 1805 1 6 . 1 1 47 47 VAL HA H 47 4.732 4.732 3.922 0.810 18349 1806 1 6 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.519 -1.409 18349 1807 1 6 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.650 0.814 18349 1808 1 6 . 1 1 48 48 LYS N N 48 124.434 124.434 122.506 1.928 18349 1809 1 6 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.332 0.535 18349 1810 1 6 . 1 1 48 48 LYS CA C 48 54.152 54.152 55.268 -1.116 18349 1811 1 6 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.752 4.019 18349 1812 1 6 . 1 1 49 49 LEU N N 49 124.048 124.048 126.460 -2.412 18349 1813 1 6 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.432 0.479 18349 1814 1 6 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.212 -0.245 18349 1815 1 6 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.918 4.063 18349 1816 1 6 . 1 1 50 50 ALA N N 50 130.149 130.149 130.098 0.051 18349 1817 1 6 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.594 1.246 18349 1818 1 6 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.471 -1.196 18349 1819 1 6 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.536 4.498 18349 1820 1 6 . 1 1 51 51 PHE N N 51 115.001 115.001 122.086 -7.085 18349 1821 1 6 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.031 -0.220 18349 1822 1 6 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.251 1.484 18349 1823 1 6 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.086 -1.823 18349 1824 1 6 . 1 1 52 52 LYS N N 52 122.139 122.139 122.081 0.058 18349 1825 1 6 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.586 0.318 18349 1826 1 6 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.843 -0.473 18349 1827 1 6 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.940 1.135 18349 1828 1 6 . 1 1 53 53 CYS N N 53 125.893 125.893 127.649 -1.756 18349 1829 1 6 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.849 -0.048 18349 1830 1 6 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.120 0.536 18349 1831 1 6 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.840 0.114 18349 1832 1 6 . 1 1 54 54 ASP N N 54 131.027 131.027 128.090 2.937 18349 1833 1 6 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.388 -0.032 18349 1834 1 6 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.490 0.299 18349 1835 1 6 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.335 -0.493 18349 1836 1 6 . 1 1 55 55 GLY N N 55 104.172 104.172 104.544 -0.372 18349 1837 1 6 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.059 0.626 18349 1838 1 6 . 1 1 56 56 GLU N N 56 120.557 120.557 120.640 -0.083 18349 1839 1 6 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.662 -0.023 18349 1840 1 6 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.219 -0.150 18349 1841 1 6 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.251 2.247 18349 1842 1 6 . 1 1 57 57 ILE N N 57 123.029 123.029 123.678 -0.649 18349 1843 1 6 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.370 -0.014 18349 1844 1 6 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.928 -0.119 18349 1845 1 6 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.147 -0.271 18349 1846 1 6 . 1 1 58 58 LYS N N 58 130.275 130.275 129.983 0.292 18349 1847 1 6 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.011 0.179 18349 1848 1 6 . 1 1 58 58 LYS CA C 58 52.259 52.259 52.816 -0.557 18349 1849 1 6 . 1 1 58 58 LYS CB C 58 33.114 33.114 30.419 2.695 18349 1850 1 6 . 1 1 59 59 THR N N 59 112.811 112.811 119.656 -6.845 18349 1851 1 6 . 1 1 59 59 THR HA H 59 5.100 5.100 4.347 0.753 18349 1852 1 6 . 1 1 59 59 THR CA C 59 60.409 60.409 62.289 -1.880 18349 1853 1 6 . 1 1 59 59 THR CB C 59 70.886 70.886 67.766 3.120 18349 1854 1 6 . 1 1 60 60 PHE N N 60 121.789 121.789 126.391 -4.602 18349 1855 1 6 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.747 0.021 18349 1856 1 6 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.010 0.613 18349 1857 1 6 . 1 1 60 60 PHE CB C 60 44.138 44.138 41.267 2.872 18349 1858 1 6 . 1 1 61 61 SER N N 61 116.498 116.498 117.360 -0.862 18349 1859 1 6 . 1 1 61 61 SER HA H 61 4.876 4.876 4.377 0.499 18349 1860 1 6 . 1 1 61 61 SER CA C 61 58.232 58.232 59.795 -1.563 18349 1861 1 6 . 1 1 61 61 SER CB C 61 64.611 64.611 64.025 0.586 18349 1862 1 6 . 1 1 62 62 ASP N N 62 117.813 117.813 116.866 0.947 18349 1863 1 6 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.719 0.357 18349 1864 1 6 . 1 1 62 62 ASP CA C 62 53.246 53.246 52.845 0.401 18349 1865 1 6 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.439 1.736 18349 1866 1 6 . 1 1 63 63 LEU N N 63 122.385 122.385 119.316 3.069 18349 1867 1 6 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.343 -0.520 18349 1868 1 6 . 1 1 63 63 LEU CA C 63 56.818 56.818 56.493 0.325 18349 1869 1 6 . 1 1 63 63 LEU CB C 63 41.975 41.975 41.673 0.302 18349 1870 1 6 . 1 1 64 64 GLN N N 64 121.981 121.981 121.212 0.769 18349 1871 1 6 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.064 -0.054 18349 1872 1 6 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.121 0.258 18349 1873 1 6 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.496 -0.901 18349 1874 1 6 . 1 1 65 65 SER N N 65 118.758 118.758 116.386 2.372 18349 1875 1 6 . 1 1 65 65 SER HA H 65 4.220 4.220 4.212 0.008 18349 1876 1 6 . 1 1 65 65 SER CA C 65 62.205 62.205 62.161 0.044 18349 1877 1 6 . 1 1 65 65 SER CB C 65 62.355 62.355 62.970 -0.615 18349 1878 1 6 . 1 1 66 66 LEU N N 66 125.879 125.879 122.917 2.962 18349 1879 1 6 . 1 1 66 66 LEU HA H 66 3.181 3.181 2.811 0.370 18349 1880 1 6 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.050 1.089 18349 1881 1 6 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.511 -0.242 18349 1882 1 6 . 1 1 67 67 ARG N N 67 121.270 121.270 119.278 1.992 18349 1883 1 6 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.772 -0.161 18349 1884 1 6 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.015 -0.020 18349 1885 1 6 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.889 -0.064 18349 1886 1 6 . 1 1 68 68 LYS N N 68 120.624 120.624 118.368 2.256 18349 1887 1 6 . 1 1 68 68 LYS HA H 68 3.951 3.951 3.984 -0.033 18349 1888 1 6 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.391 0.091 18349 1889 1 6 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.198 0.095 18349 1890 1 6 . 1 1 69 69 PHE N N 69 122.104 122.104 119.701 2.403 18349 1891 1 6 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.240 0.016 18349 1892 1 6 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.631 0.584 18349 1893 1 6 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.191 0.980 18349 1894 1 6 . 1 1 70 70 ALA N N 70 121.297 121.297 120.639 0.658 18349 1895 1 6 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.990 -0.258 18349 1896 1 6 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.749 -0.294 18349 1897 1 6 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.287 0.410 18349 1898 1 6 . 1 1 71 71 SER N N 71 109.734 109.734 112.337 -2.603 18349 1899 1 6 . 1 1 71 71 SER HA H 71 3.948 3.948 4.149 -0.201 18349 1900 1 6 . 1 1 71 71 SER CA C 71 60.995 60.995 61.594 -0.599 18349 1901 1 6 . 1 1 71 71 SER CB C 71 63.451 63.451 63.557 -0.106 18349 1902 1 6 . 1 1 72 72 GLN N N 72 118.485 118.485 116.556 1.929 18349 1903 1 6 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.338 -0.031 18349 1904 1 6 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.133 0.012 18349 1905 1 6 . 1 1 72 72 GLN CB C 72 29.619 29.619 28.884 0.735 18349 1906 1 6 . 1 1 73 73 LYS N N 73 121.680 121.680 122.545 -0.865 18349 1907 1 6 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.446 0.151 18349 1908 1 6 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.126 -0.907 18349 1909 1 6 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.948 0.195 18349 1910 1 6 . 1 1 74 74 SER CA C 74 62.000 62.000 61.198 0.802 18349 1911 1 6 . 1 1 74 74 SER CB C 74 62.392 62.392 63.005 -0.613 18349 1912 1 6 . 1 1 75 75 SER N N 75 115.269 115.269 116.003 -0.734 18349 1913 1 6 . 1 1 75 75 SER HA H 75 4.299 4.299 4.234 0.065 18349 1914 1 6 . 1 1 75 75 SER CA C 75 59.939 59.939 60.142 -0.203 18349 1915 1 6 . 1 1 75 75 SER CB C 75 62.592 62.592 63.152 -0.560 18349 1916 1 6 . 1 1 76 76 MET N N 76 119.989 119.989 121.935 -1.946 18349 1917 1 6 . 1 1 76 76 MET HA H 76 4.338 4.338 4.220 0.118 18349 1918 1 6 . 1 1 76 76 MET CA C 76 57.159 57.159 57.987 -0.828 18349 1919 1 6 . 1 1 76 76 MET CB C 76 34.819 34.819 32.263 2.556 18349 1920 1 6 . 1 1 77 77 LYS N N 77 121.432 121.432 119.828 1.604 18349 1921 1 6 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.054 -0.441 18349 1922 1 6 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.026 1.107 18349 1923 1 6 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.377 -0.118 18349 1924 1 6 . 1 1 78 78 GLU N N 78 117.200 117.200 115.719 1.481 18349 1925 1 6 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.386 -0.257 18349 1926 1 6 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.647 0.883 18349 1927 1 6 . 1 1 78 78 GLU CB C 78 29.525 29.525 30.196 -0.671 18349 1928 1 6 . 1 1 79 79 LEU N N 79 119.315 119.315 120.516 -1.201 18349 1929 1 6 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.245 -0.221 18349 1930 1 6 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.544 -0.462 18349 1931 1 6 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.860 0.011 18349 1932 1 6 . 1 1 80 80 LEU N N 80 114.760 114.760 118.723 -3.963 18349 1933 1 6 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.154 0.141 18349 1934 1 6 . 1 1 80 80 LEU CA C 80 53.874 53.874 56.308 -2.434 18349 1935 1 6 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.591 1.117 18349 1936 1 6 . 1 1 81 81 LYS N N 81 120.468 120.468 117.860 2.608 18349 1937 1 6 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.245 -0.333 18349 1938 1 6 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.486 0.715 18349 1939 1 6 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.645 0.764 18349 1940 1 6 . 1 1 82 82 ASP N N 82 118.031 118.031 119.292 -1.261 18349 1941 1 6 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.453 0.240 18349 1942 1 6 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.650 -1.532 18349 1943 1 6 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.306 0.139 18349 1944 1 6 . 1 1 83 83 VAL N N 83 115.842 115.842 113.978 1.864 18349 1945 1 6 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.351 -0.159 18349 1946 1 6 . 1 1 83 83 VAL CA C 83 61.812 61.812 61.677 0.135 18349 1947 1 6 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.464 -0.711 18349 1948 1 6 . 1 1 84 84 LEU N N 84 123.084 123.084 122.633 0.451 18349 1949 1 6 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.895 -0.353 18349 1950 1 6 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.907 0.131 18349 1951 1 6 . 1 1 84 84 LEU CB C 84 42.140 42.140 45.764 -3.624 18349 1952 1 6 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.592 -0.256 18349 1953 1 6 . 1 1 85 85 PRO CA C 85 62.853 62.853 62.373 0.480 18349 1954 1 6 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.743 0.435 18349 1955 1 6 . 1 1 86 86 GLN N N 86 121.533 121.533 126.043 -4.510 18349 1956 1 6 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.128 0.016 18349 1957 1 6 . 1 1 86 86 GLN CA C 86 55.689 55.689 56.193 -0.504 18349 1958 1 6 . 1 1 86 86 GLN CB C 86 29.618 29.618 27.543 2.075 18349 1959 1 6 . 1 1 87 87 LYS N N 87 123.688 123.688 120.293 3.395 18349 1960 1 6 . 1 1 87 87 LYS HA H 87 4.246 4.246 3.908 0.338 18349 1961 1 6 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.324 -1.083 18349 1962 1 6 . 1 1 87 87 LYS CB C 87 33.528 33.528 30.578 2.950 18349 1963 1 7 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.500 -0.249 18349 1964 1 7 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.508 0.827 18349 1965 1 7 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.488 -0.187 18349 1966 1 7 . 1 1 4 4 MET N N 4 121.761 121.761 121.407 0.354 18349 1967 1 7 . 1 1 4 4 MET HA H 4 4.422 4.422 4.589 -0.167 18349 1968 1 7 . 1 1 4 4 MET CA C 4 55.404 55.404 53.578 1.826 18349 1969 1 7 . 1 1 4 4 MET CB C 4 33.059 33.059 32.491 0.568 18349 1970 1 7 . 1 1 5 5 ASP N N 5 122.449 122.449 121.793 0.656 18349 1971 1 7 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.555 0.024 18349 1972 1 7 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.549 0.147 18349 1973 1 7 . 1 1 5 5 ASP CB C 5 41.307 41.307 40.252 1.054 18349 1974 1 7 . 1 1 6 6 GLU N N 6 121.856 121.856 124.146 -2.290 18349 1975 1 7 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.511 -0.237 18349 1976 1 7 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.997 0.910 18349 1977 1 7 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.656 -0.609 18349 1978 1 7 . 1 1 7 7 GLY N N 7 110.268 110.268 111.536 -1.268 18349 1979 1 7 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.844 0.694 18349 1980 1 7 . 1 1 8 8 ALA N N 8 123.141 123.141 122.798 0.343 18349 1981 1 7 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.725 -0.202 18349 1982 1 7 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.952 -0.102 18349 1983 1 7 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.840 -0.108 18349 1984 1 7 . 1 1 9 9 VAL N N 9 120.521 120.521 122.179 -1.658 18349 1985 1 7 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.425 -0.206 18349 1986 1 7 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.528 0.374 18349 1987 1 7 . 1 1 9 9 VAL CB C 9 33.936 33.936 33.390 0.546 18349 1988 1 7 . 1 1 10 10 LEU N N 10 128.790 128.790 129.527 -0.737 18349 1989 1 7 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.555 0.104 18349 1990 1 7 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.169 0.033 18349 1991 1 7 . 1 1 10 10 LEU CB C 10 43.815 43.815 41.044 2.771 18349 1992 1 7 . 1 1 11 11 THR HA H 11 5.349 5.349 4.285 1.064 18349 1993 1 7 . 1 1 11 11 THR CA C 11 60.386 60.386 62.566 -2.180 18349 1994 1 7 . 1 1 11 11 THR CB C 11 72.001 72.001 69.226 2.775 18349 1995 1 7 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.495 -0.034 18349 1996 1 7 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.224 0.197 18349 1997 1 7 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.252 0.181 18349 1998 1 7 . 1 1 13 13 ALA N N 13 125.942 125.942 128.549 -2.607 18349 1999 1 7 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.218 0.093 18349 2000 1 7 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.398 -0.425 18349 2001 1 7 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.378 0.879 18349 2002 1 7 . 1 1 14 14 ALA N N 14 125.619 125.619 126.391 -0.772 18349 2003 1 7 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.182 -0.061 18349 2004 1 7 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.048 2.629 18349 2005 1 7 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.241 0.126 18349 2006 1 7 . 1 1 15 15 ASP N N 15 114.584 114.584 120.347 -5.763 18349 2007 1 7 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.269 0.213 18349 2008 1 7 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.548 -2.690 18349 2009 1 7 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.215 -0.151 18349 2010 1 7 . 1 1 16 16 LEU N N 16 115.700 115.700 119.013 -3.313 18349 2011 1 7 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.475 -0.808 18349 2012 1 7 . 1 1 16 16 LEU CA C 16 56.389 56.389 54.544 1.845 18349 2013 1 7 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.671 -2.410 18349 2014 1 7 . 1 1 17 17 SER N N 17 112.160 112.160 117.736 -5.576 18349 2015 1 7 . 1 1 17 17 SER HA H 17 4.389 4.389 4.262 0.127 18349 2016 1 7 . 1 1 17 17 SER CA C 17 59.732 59.732 59.268 0.464 18349 2017 1 7 . 1 1 17 17 SER CB C 17 64.092 64.092 62.700 1.392 18349 2018 1 7 . 1 1 18 18 SER N N 18 114.973 114.973 122.740 -7.767 18349 2019 1 7 . 1 1 18 18 SER HA H 18 5.024 5.024 4.343 0.681 18349 2020 1 7 . 1 1 18 18 SER CA C 18 56.996 56.996 58.950 -1.954 18349 2021 1 7 . 1 1 18 18 SER CB C 18 65.549 65.549 61.439 4.110 18349 2022 1 7 . 1 1 19 19 ALA N N 19 122.800 122.800 128.764 -5.964 18349 2023 1 7 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.431 0.562 18349 2024 1 7 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.093 -1.456 18349 2025 1 7 . 1 1 19 19 ALA CB C 19 23.521 23.521 20.329 3.192 18349 2026 1 7 . 1 1 20 20 THR N N 20 115.578 115.578 118.254 -2.676 18349 2027 1 7 . 1 1 20 20 THR HA H 20 5.016 5.016 4.678 0.338 18349 2028 1 7 . 1 1 20 20 THR CA C 20 61.219 61.219 61.669 -0.450 18349 2029 1 7 . 1 1 20 20 THR CB C 20 71.159 71.159 70.436 0.723 18349 2030 1 7 . 1 1 21 21 LEU N N 21 126.796 126.796 123.094 3.702 18349 2031 1 7 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.513 0.208 18349 2032 1 7 . 1 1 21 21 LEU CA C 21 53.679 53.679 53.898 -0.219 18349 2033 1 7 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.657 2.243 18349 2034 1 7 . 1 1 22 22 ASP N N 22 124.700 124.700 120.208 4.492 18349 2035 1 7 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.650 0.107 18349 2036 1 7 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.434 -0.417 18349 2037 1 7 . 1 1 22 22 ASP CB C 22 41.983 41.983 40.399 1.584 18349 2038 1 7 . 1 1 23 23 ILE N N 23 124.629 124.629 122.421 2.208 18349 2039 1 7 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.295 -0.264 18349 2040 1 7 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.251 -0.622 18349 2041 1 7 . 1 1 23 23 ILE CB C 23 38.062 38.062 40.050 -1.988 18349 2042 1 7 . 1 1 24 24 SER N N 24 125.361 125.361 120.044 5.317 18349 2043 1 7 . 1 1 24 24 SER HA H 24 4.398 4.398 4.466 -0.068 18349 2044 1 7 . 1 1 24 24 SER CA C 24 58.184 58.184 58.760 -0.576 18349 2045 1 7 . 1 1 24 24 SER CB C 24 64.557 64.557 63.489 1.068 18349 2046 1 7 . 1 1 25 25 LYS N N 25 124.630 124.630 124.235 0.395 18349 2047 1 7 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.513 -0.332 18349 2048 1 7 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.248 3.179 18349 2049 1 7 . 1 1 25 25 LYS CB C 25 32.042 32.042 30.616 1.426 18349 2050 1 7 . 1 1 26 26 GLN N N 26 117.379 117.379 121.044 -3.665 18349 2051 1 7 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.605 -0.539 18349 2052 1 7 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.609 3.712 18349 2053 1 7 . 1 1 26 26 GLN CB C 26 28.773 28.773 30.207 -1.435 18349 2054 1 7 . 1 1 27 27 TRP N N 27 118.412 118.412 122.418 -4.006 18349 2055 1 7 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.899 -0.338 18349 2056 1 7 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.311 2.917 18349 2057 1 7 . 1 1 27 27 TRP CB C 27 30.121 30.121 31.444 -1.323 18349 2058 1 7 . 1 1 28 28 SER N N 28 117.604 117.604 118.805 -1.201 18349 2059 1 7 . 1 1 28 28 SER HA H 28 4.009 4.009 4.184 -0.175 18349 2060 1 7 . 1 1 28 28 SER CA C 28 62.130 62.130 59.199 2.931 18349 2061 1 7 . 1 1 28 28 SER CB C 28 62.273 62.273 63.404 -1.131 18349 2062 1 7 . 1 1 29 29 ASN N N 29 121.383 121.383 119.064 2.319 18349 2063 1 7 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.879 -0.284 18349 2064 1 7 . 1 1 29 29 ASN CA C 29 55.824 55.824 52.461 3.363 18349 2065 1 7 . 1 1 29 29 ASN CB C 29 38.163 38.163 40.178 -2.015 18349 2066 1 7 . 1 1 30 30 VAL CA C 30 56.222 56.222 60.101 -3.879 18349 2067 1 7 . 1 1 30 30 VAL CB C 30 29.494 29.494 33.054 -3.560 18349 2068 1 7 . 1 1 31 31 PHE N N 31 121.135 121.135 117.688 3.447 18349 2069 1 7 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.493 -0.976 18349 2070 1 7 . 1 1 31 31 PHE CA C 31 62.835 62.835 56.511 6.324 18349 2071 1 7 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.580 3.576 18349 2072 1 7 . 1 1 32 32 ASN N N 32 117.099 117.099 120.994 -3.895 18349 2073 1 7 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.332 0.036 18349 2074 1 7 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.194 0.821 18349 2075 1 7 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.544 0.295 18349 2076 1 7 . 1 1 33 33 ILE N N 33 120.541 120.541 118.986 1.555 18349 2077 1 7 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.793 -0.004 18349 2078 1 7 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.120 0.400 18349 2079 1 7 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.995 1.344 18349 2080 1 7 . 1 1 34 34 LEU N N 34 121.099 121.099 119.135 1.964 18349 2081 1 7 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.884 -0.026 18349 2082 1 7 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.941 -0.122 18349 2083 1 7 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.205 -0.540 18349 2084 1 7 . 1 1 35 35 ARG N N 35 122.638 122.638 120.147 2.491 18349 2085 1 7 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.075 -0.219 18349 2086 1 7 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.681 -0.561 18349 2087 1 7 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.242 -0.393 18349 2088 1 7 . 1 1 36 36 GLU N N 36 120.533 120.533 119.446 1.087 18349 2089 1 7 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.205 -0.095 18349 2090 1 7 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.657 -0.447 18349 2091 1 7 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.259 0.470 18349 2092 1 7 . 1 1 37 37 ASN N N 37 115.321 115.321 115.394 -0.073 18349 2093 1 7 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.917 -0.079 18349 2094 1 7 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.473 0.271 18349 2095 1 7 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.383 1.163 18349 2096 1 7 . 1 1 38 38 ASP N N 38 111.921 111.921 118.505 -6.584 18349 2097 1 7 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.418 0.267 18349 2098 1 7 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.068 1.444 18349 2099 1 7 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.394 -1.192 18349 2100 1 7 . 1 1 39 39 PHE N N 39 114.378 114.378 118.322 -3.944 18349 2101 1 7 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.483 0.101 18349 2102 1 7 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.524 0.894 18349 2103 1 7 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.659 -0.694 18349 2104 1 7 . 1 1 40 40 GLU N N 40 115.531 115.531 118.730 -3.199 18349 2105 1 7 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.133 -0.225 18349 2106 1 7 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.070 0.185 18349 2107 1 7 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.350 0.376 18349 2108 1 7 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.547 0.746 18349 2109 1 7 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.418 -0.519 18349 2110 1 7 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.687 0.464 18349 2111 1 7 . 1 1 42 42 LYS N N 42 118.255 118.255 119.081 -0.826 18349 2112 1 7 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.298 0.402 18349 2113 1 7 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.181 0.295 18349 2114 1 7 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.291 3.432 18349 2115 1 7 . 1 1 43 43 PHE N N 43 122.245 122.245 117.664 4.581 18349 2116 1 7 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.502 0.943 18349 2117 1 7 . 1 1 43 43 PHE CA C 43 57.496 57.496 56.757 0.739 18349 2118 1 7 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.297 1.832 18349 2119 1 7 . 1 1 44 44 LEU N N 44 124.272 124.272 121.789 2.483 18349 2120 1 7 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.524 0.289 18349 2121 1 7 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.286 -1.076 18349 2122 1 7 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.864 2.502 18349 2123 1 7 . 1 1 45 45 CYS N N 45 120.218 120.218 121.740 -1.522 18349 2124 1 7 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.489 0.701 18349 2125 1 7 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.791 -1.911 18349 2126 1 7 . 1 1 45 45 CYS CB C 45 30.509 30.509 28.709 1.800 18349 2127 1 7 . 1 1 46 46 GLU N N 46 127.444 127.444 128.276 -0.832 18349 2128 1 7 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.398 0.204 18349 2129 1 7 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.496 -0.298 18349 2130 1 7 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.300 4.078 18349 2131 1 7 . 1 1 47 47 VAL N N 47 126.664 126.664 122.246 4.418 18349 2132 1 7 . 1 1 47 47 VAL HA H 47 4.732 4.732 3.920 0.812 18349 2133 1 7 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.906 -1.796 18349 2134 1 7 . 1 1 47 47 VAL CB C 47 33.464 33.464 31.138 2.326 18349 2135 1 7 . 1 1 48 48 LYS N N 48 124.434 124.434 125.041 -0.607 18349 2136 1 7 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.651 0.216 18349 2137 1 7 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.192 -0.040 18349 2138 1 7 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.772 2.999 18349 2139 1 7 . 1 1 49 49 LEU N N 49 124.048 124.048 123.923 0.125 18349 2140 1 7 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.499 0.412 18349 2141 1 7 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.697 -0.730 18349 2142 1 7 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.985 4.996 18349 2143 1 7 . 1 1 50 50 ALA N N 50 130.149 130.149 128.870 1.279 18349 2144 1 7 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.284 1.556 18349 2145 1 7 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.884 -1.609 18349 2146 1 7 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.755 5.279 18349 2147 1 7 . 1 1 51 51 PHE N N 51 115.001 115.001 119.214 -4.213 18349 2148 1 7 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.858 -0.047 18349 2149 1 7 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.716 1.019 18349 2150 1 7 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.509 -1.247 18349 2151 1 7 . 1 1 52 52 LYS N N 52 122.139 122.139 121.818 0.321 18349 2152 1 7 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.668 0.236 18349 2153 1 7 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.694 -0.324 18349 2154 1 7 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.520 0.555 18349 2155 1 7 . 1 1 53 53 CYS N N 53 125.893 125.893 127.788 -1.895 18349 2156 1 7 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.791 0.010 18349 2157 1 7 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.603 0.053 18349 2158 1 7 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.508 -0.554 18349 2159 1 7 . 1 1 54 54 ASP N N 54 131.027 131.027 127.364 3.663 18349 2160 1 7 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.393 -0.037 18349 2161 1 7 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.416 0.373 18349 2162 1 7 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.667 -0.825 18349 2163 1 7 . 1 1 55 55 GLY N N 55 104.172 104.172 103.676 0.496 18349 2164 1 7 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.026 0.659 18349 2165 1 7 . 1 1 56 56 GLU N N 56 120.557 120.557 121.269 -0.712 18349 2166 1 7 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.588 0.051 18349 2167 1 7 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.549 -0.480 18349 2168 1 7 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.023 2.475 18349 2169 1 7 . 1 1 57 57 ILE N N 57 123.029 123.029 123.367 -0.338 18349 2170 1 7 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.339 0.017 18349 2171 1 7 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.961 -0.152 18349 2172 1 7 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.592 0.284 18349 2173 1 7 . 1 1 58 58 LYS N N 58 130.275 130.275 129.513 0.762 18349 2174 1 7 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.046 0.144 18349 2175 1 7 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.254 -0.995 18349 2176 1 7 . 1 1 58 58 LYS CB C 58 33.114 33.114 31.824 1.290 18349 2177 1 7 . 1 1 59 59 THR N N 59 112.811 112.811 118.893 -6.082 18349 2178 1 7 . 1 1 59 59 THR HA H 59 5.100 5.100 4.710 0.390 18349 2179 1 7 . 1 1 59 59 THR CA C 59 60.409 60.409 60.937 -0.528 18349 2180 1 7 . 1 1 59 59 THR CB C 59 70.886 70.886 69.083 1.803 18349 2181 1 7 . 1 1 60 60 PHE N N 60 121.789 121.789 126.094 -4.305 18349 2182 1 7 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.837 -0.069 18349 2183 1 7 . 1 1 60 60 PHE CA C 60 57.623 57.623 56.908 0.715 18349 2184 1 7 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.537 1.601 18349 2185 1 7 . 1 1 61 61 SER N N 61 116.498 116.498 116.434 0.064 18349 2186 1 7 . 1 1 61 61 SER HA H 61 4.876 4.876 4.579 0.297 18349 2187 1 7 . 1 1 61 61 SER CA C 61 58.232 58.232 58.513 -0.281 18349 2188 1 7 . 1 1 61 61 SER CB C 61 64.611 64.611 64.197 0.414 18349 2189 1 7 . 1 1 62 62 ASP N N 62 117.813 117.813 121.325 -3.512 18349 2190 1 7 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.961 0.115 18349 2191 1 7 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.526 -0.280 18349 2192 1 7 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.896 0.279 18349 2193 1 7 . 1 1 63 63 LEU N N 63 122.385 122.385 122.598 -0.213 18349 2194 1 7 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.044 -0.221 18349 2195 1 7 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.399 -0.581 18349 2196 1 7 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.155 -0.180 18349 2197 1 7 . 1 1 64 64 GLN N N 64 121.981 121.981 120.046 1.935 18349 2198 1 7 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.060 -0.050 18349 2199 1 7 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.040 0.339 18349 2200 1 7 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.040 -0.445 18349 2201 1 7 . 1 1 65 65 SER N N 65 118.758 118.758 114.897 3.861 18349 2202 1 7 . 1 1 65 65 SER HA H 65 4.220 4.220 4.143 0.077 18349 2203 1 7 . 1 1 65 65 SER CA C 65 62.205 62.205 61.481 0.724 18349 2204 1 7 . 1 1 65 65 SER CB C 65 62.355 62.355 62.753 -0.398 18349 2205 1 7 . 1 1 66 66 LEU N N 66 125.879 125.879 123.042 2.837 18349 2206 1 7 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.203 -0.022 18349 2207 1 7 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.781 1.358 18349 2208 1 7 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.506 -0.237 18349 2209 1 7 . 1 1 67 67 ARG N N 67 121.270 121.270 119.247 2.023 18349 2210 1 7 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.834 -0.223 18349 2211 1 7 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.380 -0.385 18349 2212 1 7 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.886 -0.061 18349 2213 1 7 . 1 1 68 68 LYS N N 68 120.624 120.624 117.942 2.682 18349 2214 1 7 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.158 -0.207 18349 2215 1 7 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.023 0.459 18349 2216 1 7 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.367 -0.074 18349 2217 1 7 . 1 1 69 69 PHE N N 69 122.104 122.104 120.053 2.051 18349 2218 1 7 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.615 -0.359 18349 2219 1 7 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.106 1.109 18349 2220 1 7 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.735 0.436 18349 2221 1 7 . 1 1 70 70 ALA N N 70 121.297 121.297 121.699 -0.402 18349 2222 1 7 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.950 -0.218 18349 2223 1 7 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.856 -0.401 18349 2224 1 7 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.546 0.151 18349 2225 1 7 . 1 1 71 71 SER N N 71 109.734 109.734 110.816 -1.082 18349 2226 1 7 . 1 1 71 71 SER HA H 71 3.948 3.948 4.201 -0.253 18349 2227 1 7 . 1 1 71 71 SER CA C 71 60.995 60.995 60.426 0.569 18349 2228 1 7 . 1 1 71 71 SER CB C 71 63.451 63.451 63.367 0.084 18349 2229 1 7 . 1 1 72 72 GLN N N 72 118.485 118.485 117.495 0.990 18349 2230 1 7 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.377 -0.070 18349 2231 1 7 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.383 -0.239 18349 2232 1 7 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.446 0.173 18349 2233 1 7 . 1 1 73 73 LYS N N 73 121.680 121.680 122.233 -0.553 18349 2234 1 7 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.367 0.230 18349 2235 1 7 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.086 -0.866 18349 2236 1 7 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.873 0.270 18349 2237 1 7 . 1 1 74 74 SER CA C 74 62.000 62.000 61.138 0.862 18349 2238 1 7 . 1 1 74 74 SER CB C 74 62.392 62.392 62.799 -0.407 18349 2239 1 7 . 1 1 75 75 SER N N 75 115.269 115.269 118.017 -2.748 18349 2240 1 7 . 1 1 75 75 SER HA H 75 4.299 4.299 4.342 -0.043 18349 2241 1 7 . 1 1 75 75 SER CA C 75 59.939 59.939 61.094 -1.155 18349 2242 1 7 . 1 1 75 75 SER CB C 75 62.592 62.592 63.227 -0.635 18349 2243 1 7 . 1 1 76 76 MET N N 76 119.989 119.989 119.648 0.341 18349 2244 1 7 . 1 1 76 76 MET HA H 76 4.338 4.338 4.602 -0.264 18349 2245 1 7 . 1 1 76 76 MET CA C 76 57.159 57.159 56.747 0.412 18349 2246 1 7 . 1 1 76 76 MET CB C 76 34.819 34.819 32.849 1.970 18349 2247 1 7 . 1 1 77 77 LYS N N 77 121.432 121.432 121.700 -0.268 18349 2248 1 7 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.077 -0.464 18349 2249 1 7 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.968 0.165 18349 2250 1 7 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.546 -0.287 18349 2251 1 7 . 1 1 78 78 GLU N N 78 117.200 117.200 114.813 2.387 18349 2252 1 7 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.299 -0.170 18349 2253 1 7 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.290 1.240 18349 2254 1 7 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.099 0.426 18349 2255 1 7 . 1 1 79 79 LEU N N 79 119.315 119.315 118.909 0.406 18349 2256 1 7 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.307 -0.283 18349 2257 1 7 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.578 0.504 18349 2258 1 7 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.855 0.016 18349 2259 1 7 . 1 1 80 80 LEU N N 80 114.760 114.760 118.149 -3.389 18349 2260 1 7 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.268 0.028 18349 2261 1 7 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.227 -1.353 18349 2262 1 7 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.481 1.227 18349 2263 1 7 . 1 1 81 81 LYS N N 81 120.468 120.468 119.602 0.866 18349 2264 1 7 . 1 1 81 81 LYS HA H 81 3.912 3.912 3.914 -0.002 18349 2265 1 7 . 1 1 81 81 LYS CA C 81 59.201 59.201 59.078 0.123 18349 2266 1 7 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.548 0.861 18349 2267 1 7 . 1 1 82 82 ASP N N 82 118.031 118.031 119.286 -1.255 18349 2268 1 7 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.427 0.266 18349 2269 1 7 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.676 -1.558 18349 2270 1 7 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.246 0.199 18349 2271 1 7 . 1 1 83 83 VAL N N 83 115.842 115.842 113.544 2.298 18349 2272 1 7 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.307 -0.115 18349 2273 1 7 . 1 1 83 83 VAL CA C 83 61.812 61.812 61.901 -0.089 18349 2274 1 7 . 1 1 83 83 VAL CB C 83 32.753 32.753 31.720 1.033 18349 2275 1 7 . 1 1 84 84 LEU N N 84 123.084 123.084 122.179 0.905 18349 2276 1 7 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.894 -0.352 18349 2277 1 7 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.038 0.000 18349 2278 1 7 . 1 1 84 84 LEU CB C 84 42.140 42.140 43.658 -1.518 18349 2279 1 7 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.557 -0.221 18349 2280 1 7 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.044 -0.191 18349 2281 1 7 . 1 1 85 85 PRO CB C 85 32.178 32.178 29.946 2.232 18349 2282 1 7 . 1 1 86 86 GLN N N 86 121.533 121.533 121.580 -0.047 18349 2283 1 7 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.542 -0.398 18349 2284 1 7 . 1 1 86 86 GLN CA C 86 55.689 55.689 55.199 0.490 18349 2285 1 7 . 1 1 86 86 GLN CB C 86 29.618 29.618 28.496 1.122 18349 2286 1 7 . 1 1 87 87 LYS N N 87 123.688 123.688 121.586 2.102 18349 2287 1 7 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.398 -0.152 18349 2288 1 7 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.994 -0.753 18349 2289 1 7 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.698 -0.170 18349 2290 1 8 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.621 -0.370 18349 2291 1 8 . 1 1 3 3 LEU CA C 3 55.335 55.335 53.648 1.687 18349 2292 1 8 . 1 1 3 3 LEU CB C 3 42.301 42.301 43.597 -1.296 18349 2293 1 8 . 1 1 4 4 MET N N 4 121.761 121.761 118.227 3.534 18349 2294 1 8 . 1 1 4 4 MET HA H 4 4.422 4.422 4.406 0.016 18349 2295 1 8 . 1 1 4 4 MET CA C 4 55.404 55.404 55.802 -0.398 18349 2296 1 8 . 1 1 4 4 MET CB C 4 33.059 33.059 32.492 0.567 18349 2297 1 8 . 1 1 5 5 ASP N N 5 122.449 122.449 119.897 2.552 18349 2298 1 8 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.850 -0.271 18349 2299 1 8 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.451 1.245 18349 2300 1 8 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.495 -1.188 18349 2301 1 8 . 1 1 6 6 GLU N N 6 121.856 121.856 123.480 -1.624 18349 2302 1 8 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.393 -0.119 18349 2303 1 8 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.696 1.211 18349 2304 1 8 . 1 1 6 6 GLU CB C 6 30.047 30.047 29.031 1.016 18349 2305 1 8 . 1 1 7 7 GLY N N 7 110.268 110.268 110.862 -0.594 18349 2306 1 8 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.875 0.663 18349 2307 1 8 . 1 1 8 8 ALA N N 8 123.141 123.141 124.570 -1.429 18349 2308 1 8 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.607 -0.084 18349 2309 1 8 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.120 0.730 18349 2310 1 8 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.250 0.482 18349 2311 1 8 . 1 1 9 9 VAL N N 9 120.521 120.521 118.495 2.026 18349 2312 1 8 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.262 -0.043 18349 2313 1 8 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.832 0.069 18349 2314 1 8 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.623 1.313 18349 2315 1 8 . 1 1 10 10 LEU N N 10 128.790 128.790 120.873 7.917 18349 2316 1 8 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.823 -0.164 18349 2317 1 8 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.348 -0.146 18349 2318 1 8 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.424 1.391 18349 2319 1 8 . 1 1 11 11 THR HA H 11 5.349 5.349 4.374 0.975 18349 2320 1 8 . 1 1 11 11 THR CA C 11 60.386 60.386 61.903 -1.517 18349 2321 1 8 . 1 1 11 11 THR CB C 11 72.001 72.001 69.439 2.562 18349 2322 1 8 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.599 -0.138 18349 2323 1 8 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.612 -0.191 18349 2324 1 8 . 1 1 12 12 LEU CB C 12 43.433 43.433 44.304 -0.871 18349 2325 1 8 . 1 1 13 13 ALA N N 13 125.942 125.942 127.380 -1.438 18349 2326 1 8 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.799 -0.488 18349 2327 1 8 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.640 0.333 18349 2328 1 8 . 1 1 13 13 ALA CB C 13 20.258 20.258 22.674 -2.416 18349 2329 1 8 . 1 1 14 14 ALA N N 14 125.619 125.619 123.140 2.479 18349 2330 1 8 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.170 -0.049 18349 2331 1 8 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.203 0.473 18349 2332 1 8 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.739 -0.373 18349 2333 1 8 . 1 1 15 15 ASP N N 15 114.584 114.584 120.065 -5.481 18349 2334 1 8 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.654 -0.172 18349 2335 1 8 . 1 1 15 15 ASP CA C 15 52.858 52.858 54.283 -1.425 18349 2336 1 8 . 1 1 15 15 ASP CB C 15 40.064 40.064 38.994 1.070 18349 2337 1 8 . 1 1 16 16 LEU N N 16 115.700 115.700 118.057 -2.357 18349 2338 1 8 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.004 -0.337 18349 2339 1 8 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.856 0.533 18349 2340 1 8 . 1 1 16 16 LEU CB C 16 40.261 40.261 40.317 -0.056 18349 2341 1 8 . 1 1 17 17 SER N N 17 112.160 112.160 115.181 -3.021 18349 2342 1 8 . 1 1 17 17 SER HA H 17 4.389 4.389 4.347 0.042 18349 2343 1 8 . 1 1 17 17 SER CA C 17 59.732 59.732 59.130 0.602 18349 2344 1 8 . 1 1 17 17 SER CB C 17 64.092 64.092 63.379 0.713 18349 2345 1 8 . 1 1 18 18 SER N N 18 114.973 114.973 119.641 -4.668 18349 2346 1 8 . 1 1 18 18 SER HA H 18 5.024 5.024 4.419 0.605 18349 2347 1 8 . 1 1 18 18 SER CA C 18 56.996 56.996 58.546 -1.550 18349 2348 1 8 . 1 1 18 18 SER CB C 18 65.549 65.549 62.433 3.116 18349 2349 1 8 . 1 1 19 19 ALA N N 19 122.800 122.800 128.866 -6.066 18349 2350 1 8 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.685 0.308 18349 2351 1 8 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.505 -1.867 18349 2352 1 8 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.583 3.938 18349 2353 1 8 . 1 1 20 20 THR N N 20 115.578 115.578 118.020 -2.442 18349 2354 1 8 . 1 1 20 20 THR HA H 20 5.016 5.016 4.420 0.596 18349 2355 1 8 . 1 1 20 20 THR CA C 20 61.219 61.219 62.848 -1.629 18349 2356 1 8 . 1 1 20 20 THR CB C 20 71.159 71.159 69.821 1.338 18349 2357 1 8 . 1 1 21 21 LEU N N 21 126.796 126.796 128.602 -1.806 18349 2358 1 8 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.715 0.006 18349 2359 1 8 . 1 1 21 21 LEU CA C 21 53.679 53.679 55.260 -1.581 18349 2360 1 8 . 1 1 21 21 LEU CB C 21 44.900 44.900 43.264 1.636 18349 2361 1 8 . 1 1 22 22 ASP N N 22 124.700 124.700 123.080 1.620 18349 2362 1 8 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.777 -0.020 18349 2363 1 8 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.008 1.009 18349 2364 1 8 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.039 -1.056 18349 2365 1 8 . 1 1 23 23 ILE N N 23 124.629 124.629 120.541 4.088 18349 2366 1 8 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.264 -0.233 18349 2367 1 8 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.558 -0.929 18349 2368 1 8 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.500 -1.438 18349 2369 1 8 . 1 1 24 24 SER N N 24 125.361 125.361 122.146 3.215 18349 2370 1 8 . 1 1 24 24 SER HA H 24 4.398 4.398 4.424 -0.026 18349 2371 1 8 . 1 1 24 24 SER CA C 24 58.184 58.184 58.723 -0.539 18349 2372 1 8 . 1 1 24 24 SER CB C 24 64.557 64.557 62.523 2.034 18349 2373 1 8 . 1 1 25 25 LYS N N 25 124.630 124.630 123.330 1.300 18349 2374 1 8 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.251 -0.070 18349 2375 1 8 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.977 2.450 18349 2376 1 8 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.071 -0.029 18349 2377 1 8 . 1 1 26 26 GLN N N 26 117.379 117.379 118.446 -1.067 18349 2378 1 8 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.408 -0.342 18349 2379 1 8 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.403 3.918 18349 2380 1 8 . 1 1 26 26 GLN CB C 26 28.773 28.773 29.501 -0.728 18349 2381 1 8 . 1 1 27 27 TRP N N 27 118.412 118.412 121.463 -3.051 18349 2382 1 8 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.420 0.141 18349 2383 1 8 . 1 1 27 27 TRP CA C 27 60.228 60.228 59.024 1.204 18349 2384 1 8 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.282 0.839 18349 2385 1 8 . 1 1 28 28 SER N N 28 117.604 117.604 112.005 5.599 18349 2386 1 8 . 1 1 28 28 SER HA H 28 4.009 4.009 4.208 -0.199 18349 2387 1 8 . 1 1 28 28 SER CA C 28 62.130 62.130 58.674 3.456 18349 2388 1 8 . 1 1 28 28 SER CB C 28 62.273 62.273 62.099 0.174 18349 2389 1 8 . 1 1 29 29 ASN N N 29 121.383 121.383 115.881 5.502 18349 2390 1 8 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.239 0.356 18349 2391 1 8 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.899 1.925 18349 2392 1 8 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.905 0.258 18349 2393 1 8 . 1 1 30 30 VAL CA C 30 56.222 56.222 64.228 -8.006 18349 2394 1 8 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.144 -1.650 18349 2395 1 8 . 1 1 31 31 PHE N N 31 121.135 121.135 118.151 2.984 18349 2396 1 8 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.517 -1.000 18349 2397 1 8 . 1 1 31 31 PHE CA C 31 62.835 62.835 58.358 4.476 18349 2398 1 8 . 1 1 31 31 PHE CB C 31 40.156 40.156 37.661 2.495 18349 2399 1 8 . 1 1 32 32 ASN N N 32 117.099 117.099 119.433 -2.334 18349 2400 1 8 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.323 0.045 18349 2401 1 8 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.751 0.264 18349 2402 1 8 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.232 0.607 18349 2403 1 8 . 1 1 33 33 ILE N N 33 120.541 120.541 118.495 2.046 18349 2404 1 8 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.777 0.012 18349 2405 1 8 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.591 0.929 18349 2406 1 8 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.841 1.498 18349 2407 1 8 . 1 1 34 34 LEU N N 34 121.099 121.099 119.502 1.597 18349 2408 1 8 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.581 0.277 18349 2409 1 8 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.956 -0.137 18349 2410 1 8 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.107 -0.442 18349 2411 1 8 . 1 1 35 35 ARG N N 35 122.638 122.638 119.834 2.804 18349 2412 1 8 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.110 -0.254 18349 2413 1 8 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.494 -0.373 18349 2414 1 8 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.257 -0.408 18349 2415 1 8 . 1 1 36 36 GLU N N 36 120.533 120.533 119.585 0.948 18349 2416 1 8 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.223 -0.113 18349 2417 1 8 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.691 -0.481 18349 2418 1 8 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.428 0.301 18349 2419 1 8 . 1 1 37 37 ASN N N 37 115.321 115.321 114.826 0.495 18349 2420 1 8 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.924 -0.086 18349 2421 1 8 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.442 0.302 18349 2422 1 8 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.615 0.931 18349 2423 1 8 . 1 1 38 38 ASP N N 38 111.921 111.921 117.944 -6.023 18349 2424 1 8 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.472 0.213 18349 2425 1 8 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.547 0.964 18349 2426 1 8 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.623 -0.421 18349 2427 1 8 . 1 1 39 39 PHE N N 39 114.378 114.378 118.085 -3.707 18349 2428 1 8 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.452 0.132 18349 2429 1 8 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.190 2.228 18349 2430 1 8 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.294 -0.329 18349 2431 1 8 . 1 1 40 40 GLU N N 40 115.531 115.531 118.828 -3.297 18349 2432 1 8 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.184 -0.276 18349 2433 1 8 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.333 -0.078 18349 2434 1 8 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.668 0.058 18349 2435 1 8 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.596 0.697 18349 2436 1 8 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.414 -0.515 18349 2437 1 8 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.875 0.276 18349 2438 1 8 . 1 1 42 42 LYS N N 42 118.255 118.255 119.432 -1.177 18349 2439 1 8 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.366 0.334 18349 2440 1 8 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.885 -0.408 18349 2441 1 8 . 1 1 42 42 LYS CB C 42 36.723 36.723 32.624 4.099 18349 2442 1 8 . 1 1 43 43 PHE N N 43 122.245 122.245 119.192 3.053 18349 2443 1 8 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.626 0.819 18349 2444 1 8 . 1 1 43 43 PHE CA C 43 57.496 57.496 56.917 0.579 18349 2445 1 8 . 1 1 43 43 PHE CB C 43 41.129 41.129 37.647 3.482 18349 2446 1 8 . 1 1 44 44 LEU N N 44 124.272 124.272 121.453 2.819 18349 2447 1 8 . 1 1 44 44 LEU HA H 44 4.813 4.813 3.848 0.965 18349 2448 1 8 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.195 -0.985 18349 2449 1 8 . 1 1 44 44 LEU CB C 44 44.365 44.365 40.858 3.507 18349 2450 1 8 . 1 1 45 45 CYS N N 45 120.218 120.218 119.144 1.074 18349 2451 1 8 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.252 0.938 18349 2452 1 8 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.512 -1.631 18349 2453 1 8 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.945 2.564 18349 2454 1 8 . 1 1 46 46 GLU N N 46 127.444 127.444 122.539 4.905 18349 2455 1 8 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.538 0.064 18349 2456 1 8 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.267 -0.069 18349 2457 1 8 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.032 3.346 18349 2458 1 8 . 1 1 47 47 VAL N N 47 126.664 126.664 125.718 0.946 18349 2459 1 8 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.247 0.485 18349 2460 1 8 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.127 -0.017 18349 2461 1 8 . 1 1 47 47 VAL CB C 47 33.464 33.464 33.012 0.452 18349 2462 1 8 . 1 1 48 48 LYS N N 48 124.434 124.434 125.397 -0.963 18349 2463 1 8 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.521 0.346 18349 2464 1 8 . 1 1 48 48 LYS CA C 48 54.152 54.152 55.827 -1.675 18349 2465 1 8 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.779 3.992 18349 2466 1 8 . 1 1 49 49 LEU N N 49 124.048 124.048 124.186 -0.138 18349 2467 1 8 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.403 0.508 18349 2468 1 8 . 1 1 49 49 LEU CA C 49 53.967 53.967 53.806 0.161 18349 2469 1 8 . 1 1 49 49 LEU CB C 49 45.981 45.981 42.067 3.914 18349 2470 1 8 . 1 1 50 50 ALA N N 50 130.149 130.149 122.195 7.954 18349 2471 1 8 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.162 1.678 18349 2472 1 8 . 1 1 50 50 ALA CA C 50 49.275 49.275 53.192 -3.917 18349 2473 1 8 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.580 5.454 18349 2474 1 8 . 1 1 51 51 PHE N N 51 115.001 115.001 121.057 -6.056 18349 2475 1 8 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.006 -0.195 18349 2476 1 8 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.378 1.357 18349 2477 1 8 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.580 -2.318 18349 2478 1 8 . 1 1 52 52 LYS N N 52 122.139 122.139 122.172 -0.033 18349 2479 1 8 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.754 0.150 18349 2480 1 8 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.614 -0.243 18349 2481 1 8 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.276 0.799 18349 2482 1 8 . 1 1 53 53 CYS N N 53 125.893 125.893 128.343 -2.450 18349 2483 1 8 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.775 0.026 18349 2484 1 8 . 1 1 53 53 CYS CA C 53 58.656 58.656 57.912 0.744 18349 2485 1 8 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.598 0.356 18349 2486 1 8 . 1 1 54 54 ASP N N 54 131.027 131.027 127.804 3.223 18349 2487 1 8 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.366 -0.010 18349 2488 1 8 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.524 0.265 18349 2489 1 8 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.838 -0.996 18349 2490 1 8 . 1 1 55 55 GLY N N 55 104.172 104.172 105.221 -1.049 18349 2491 1 8 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.897 0.788 18349 2492 1 8 . 1 1 56 56 GLU N N 56 120.557 120.557 122.126 -1.569 18349 2493 1 8 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.551 0.088 18349 2494 1 8 . 1 1 56 56 GLU CA C 56 54.069 54.069 55.052 -0.983 18349 2495 1 8 . 1 1 56 56 GLU CB C 56 33.498 33.498 30.498 3.000 18349 2496 1 8 . 1 1 57 57 ILE N N 57 123.029 123.029 124.754 -1.725 18349 2497 1 8 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.563 -0.207 18349 2498 1 8 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.644 0.165 18349 2499 1 8 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.962 -0.086 18349 2500 1 8 . 1 1 58 58 LYS N N 58 130.275 130.275 129.707 0.568 18349 2501 1 8 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.083 0.107 18349 2502 1 8 . 1 1 58 58 LYS CA C 58 52.259 52.259 52.895 -0.636 18349 2503 1 8 . 1 1 58 58 LYS CB C 58 33.114 33.114 32.102 1.012 18349 2504 1 8 . 1 1 59 59 THR N N 59 112.811 112.811 117.844 -5.033 18349 2505 1 8 . 1 1 59 59 THR HA H 59 5.100 5.100 4.301 0.799 18349 2506 1 8 . 1 1 59 59 THR CA C 59 60.409 60.409 61.474 -1.065 18349 2507 1 8 . 1 1 59 59 THR CB C 59 70.886 70.886 68.046 2.840 18349 2508 1 8 . 1 1 60 60 PHE N N 60 121.789 121.789 125.826 -4.037 18349 2509 1 8 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.777 -0.009 18349 2510 1 8 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.226 0.397 18349 2511 1 8 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.663 1.474 18349 2512 1 8 . 1 1 61 61 SER N N 61 116.498 116.498 115.998 0.500 18349 2513 1 8 . 1 1 61 61 SER HA H 61 4.876 4.876 4.718 0.158 18349 2514 1 8 . 1 1 61 61 SER CA C 61 58.232 58.232 57.651 0.581 18349 2515 1 8 . 1 1 61 61 SER CB C 61 64.611 64.611 65.689 -1.078 18349 2516 1 8 . 1 1 62 62 ASP N N 62 117.813 117.813 122.803 -4.990 18349 2517 1 8 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.885 0.191 18349 2518 1 8 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.683 -0.437 18349 2519 1 8 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.184 0.991 18349 2520 1 8 . 1 1 63 63 LEU N N 63 122.385 122.385 121.554 0.831 18349 2521 1 8 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.318 -0.495 18349 2522 1 8 . 1 1 63 63 LEU CA C 63 56.818 56.818 56.741 0.077 18349 2523 1 8 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.737 -0.762 18349 2524 1 8 . 1 1 64 64 GLN N N 64 121.981 121.981 119.304 2.677 18349 2525 1 8 . 1 1 64 64 GLN HA H 64 4.010 4.010 3.778 0.232 18349 2526 1 8 . 1 1 64 64 GLN CA C 64 59.379 59.379 60.116 -0.737 18349 2527 1 8 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.536 -0.941 18349 2528 1 8 . 1 1 65 65 SER N N 65 118.758 118.758 114.433 4.325 18349 2529 1 8 . 1 1 65 65 SER HA H 65 4.220 4.220 4.183 0.037 18349 2530 1 8 . 1 1 65 65 SER CA C 65 62.205 62.205 60.556 1.649 18349 2531 1 8 . 1 1 65 65 SER CB C 65 62.355 62.355 62.639 -0.284 18349 2532 1 8 . 1 1 66 66 LEU N N 66 125.879 125.879 123.603 2.276 18349 2533 1 8 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.361 -0.180 18349 2534 1 8 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.801 1.338 18349 2535 1 8 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.206 0.063 18349 2536 1 8 . 1 1 67 67 ARG N N 67 121.270 121.270 119.321 1.949 18349 2537 1 8 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.827 -0.216 18349 2538 1 8 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.351 -0.356 18349 2539 1 8 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.058 -0.234 18349 2540 1 8 . 1 1 68 68 LYS N N 68 120.624 120.624 119.275 1.349 18349 2541 1 8 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.030 -0.079 18349 2542 1 8 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.607 -0.125 18349 2543 1 8 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.405 -0.112 18349 2544 1 8 . 1 1 69 69 PHE N N 69 122.104 122.104 120.488 1.616 18349 2545 1 8 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.164 0.092 18349 2546 1 8 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.916 0.299 18349 2547 1 8 . 1 1 69 69 PHE CB C 69 40.171 40.171 38.989 1.182 18349 2548 1 8 . 1 1 70 70 ALA N N 70 121.297 121.297 119.962 1.335 18349 2549 1 8 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.905 -0.173 18349 2550 1 8 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.788 -0.333 18349 2551 1 8 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.477 0.220 18349 2552 1 8 . 1 1 71 71 SER N N 71 109.734 109.734 113.179 -3.445 18349 2553 1 8 . 1 1 71 71 SER HA H 71 3.948 3.948 4.139 -0.191 18349 2554 1 8 . 1 1 71 71 SER CA C 71 60.995 60.995 61.879 -0.884 18349 2555 1 8 . 1 1 71 71 SER CB C 71 63.451 63.451 63.580 -0.129 18349 2556 1 8 . 1 1 72 72 GLN N N 72 118.485 118.485 115.314 3.171 18349 2557 1 8 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.267 0.040 18349 2558 1 8 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.495 -0.351 18349 2559 1 8 . 1 1 72 72 GLN CB C 72 29.619 29.619 28.691 0.928 18349 2560 1 8 . 1 1 73 73 LYS N N 73 121.680 121.680 121.492 0.188 18349 2561 1 8 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.452 0.145 18349 2562 1 8 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.126 -0.907 18349 2563 1 8 . 1 1 73 73 LYS CB C 73 33.143 33.143 33.525 -0.382 18349 2564 1 8 . 1 1 74 74 SER CA C 74 62.000 62.000 61.767 0.233 18349 2565 1 8 . 1 1 74 74 SER CB C 74 62.392 62.392 63.197 -0.805 18349 2566 1 8 . 1 1 75 75 SER N N 75 115.269 115.269 115.339 -0.070 18349 2567 1 8 . 1 1 75 75 SER HA H 75 4.299 4.299 4.377 -0.078 18349 2568 1 8 . 1 1 75 75 SER CA C 75 59.939 59.939 60.079 -0.140 18349 2569 1 8 . 1 1 75 75 SER CB C 75 62.592 62.592 63.279 -0.687 18349 2570 1 8 . 1 1 76 76 MET N N 76 119.989 119.989 119.593 0.396 18349 2571 1 8 . 1 1 76 76 MET HA H 76 4.338 4.338 4.569 -0.231 18349 2572 1 8 . 1 1 76 76 MET CA C 76 57.159 57.159 56.614 0.545 18349 2573 1 8 . 1 1 76 76 MET CB C 76 34.819 34.819 34.107 0.712 18349 2574 1 8 . 1 1 77 77 LYS N N 77 121.432 121.432 120.476 0.956 18349 2575 1 8 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.085 -0.472 18349 2576 1 8 . 1 1 77 77 LYS CA C 77 60.133 60.133 58.931 1.202 18349 2577 1 8 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.471 -0.212 18349 2578 1 8 . 1 1 78 78 GLU N N 78 117.200 117.200 115.034 2.166 18349 2579 1 8 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.393 -0.264 18349 2580 1 8 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.274 1.256 18349 2581 1 8 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.689 -0.164 18349 2582 1 8 . 1 1 79 79 LEU N N 79 119.315 119.315 118.142 1.173 18349 2583 1 8 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.332 -0.308 18349 2584 1 8 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.445 0.637 18349 2585 1 8 . 1 1 79 79 LEU CB C 79 42.871 42.871 43.146 -0.275 18349 2586 1 8 . 1 1 80 80 LEU N N 80 114.760 114.760 116.951 -2.191 18349 2587 1 8 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.360 -0.064 18349 2588 1 8 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.521 -1.647 18349 2589 1 8 . 1 1 80 80 LEU CB C 80 41.708 41.708 41.378 0.330 18349 2590 1 8 . 1 1 81 81 LYS N N 81 120.468 120.468 118.875 1.593 18349 2591 1 8 . 1 1 81 81 LYS HA H 81 3.912 3.912 3.905 0.007 18349 2592 1 8 . 1 1 81 81 LYS CA C 81 59.201 59.201 59.068 0.133 18349 2593 1 8 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.520 0.889 18349 2594 1 8 . 1 1 82 82 ASP N N 82 118.031 118.031 119.279 -1.248 18349 2595 1 8 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.398 0.295 18349 2596 1 8 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.700 -1.581 18349 2597 1 8 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.340 0.104 18349 2598 1 8 . 1 1 83 83 VAL N N 83 115.842 115.842 113.577 2.265 18349 2599 1 8 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.090 0.102 18349 2600 1 8 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.390 -1.578 18349 2601 1 8 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.345 0.408 18349 2602 1 8 . 1 1 84 84 LEU N N 84 123.084 123.084 123.022 0.062 18349 2603 1 8 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.803 -0.261 18349 2604 1 8 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.984 0.054 18349 2605 1 8 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.633 -0.493 18349 2606 1 8 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.361 -0.025 18349 2607 1 8 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.522 -0.669 18349 2608 1 8 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.076 1.101 18349 2609 1 8 . 1 1 86 86 GLN N N 86 121.533 121.533 122.476 -0.943 18349 2610 1 8 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.547 -0.403 18349 2611 1 8 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.694 0.994 18349 2612 1 8 . 1 1 86 86 GLN CB C 86 29.618 29.618 32.296 -2.678 18349 2613 1 8 . 1 1 87 87 LYS N N 87 123.688 123.688 120.000 3.688 18349 2614 1 8 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.379 -0.133 18349 2615 1 8 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.539 -0.298 18349 2616 1 8 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.087 0.442 18349 2617 1 9 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.572 -0.321 18349 2618 1 9 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.713 0.622 18349 2619 1 9 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.221 0.080 18349 2620 1 9 . 1 1 4 4 MET N N 4 121.761 121.761 122.147 -0.386 18349 2621 1 9 . 1 1 4 4 MET HA H 4 4.422 4.422 4.643 -0.221 18349 2622 1 9 . 1 1 4 4 MET CA C 4 55.404 55.404 54.890 0.514 18349 2623 1 9 . 1 1 4 4 MET CB C 4 33.059 33.059 30.487 2.572 18349 2624 1 9 . 1 1 5 5 ASP N N 5 122.449 122.449 121.396 1.053 18349 2625 1 9 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.733 -0.154 18349 2626 1 9 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.933 0.763 18349 2627 1 9 . 1 1 5 5 ASP CB C 5 41.307 41.307 43.163 -1.856 18349 2628 1 9 . 1 1 6 6 GLU N N 6 121.856 121.856 122.105 -0.249 18349 2629 1 9 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.571 -0.297 18349 2630 1 9 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.222 1.685 18349 2631 1 9 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.998 -0.951 18349 2632 1 9 . 1 1 7 7 GLY N N 7 110.268 110.268 108.073 2.195 18349 2633 1 9 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.873 0.665 18349 2634 1 9 . 1 1 8 8 ALA N N 8 123.141 123.141 128.097 -4.956 18349 2635 1 9 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.521 0.002 18349 2636 1 9 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.727 0.123 18349 2637 1 9 . 1 1 8 8 ALA CB C 8 20.732 20.732 18.549 2.183 18349 2638 1 9 . 1 1 9 9 VAL N N 9 120.521 120.521 123.460 -2.939 18349 2639 1 9 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.365 -0.146 18349 2640 1 9 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.229 0.672 18349 2641 1 9 . 1 1 9 9 VAL CB C 9 33.936 33.936 33.567 0.369 18349 2642 1 9 . 1 1 10 10 LEU N N 10 128.790 128.790 124.375 4.415 18349 2643 1 9 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.331 0.328 18349 2644 1 9 . 1 1 10 10 LEU CA C 10 54.202 54.202 55.109 -0.907 18349 2645 1 9 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.060 1.755 18349 2646 1 9 . 1 1 11 11 THR HA H 11 5.349 5.349 4.582 0.767 18349 2647 1 9 . 1 1 11 11 THR CA C 11 60.386 60.386 61.820 -1.434 18349 2648 1 9 . 1 1 11 11 THR CB C 11 72.001 72.001 70.189 1.812 18349 2649 1 9 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.601 -0.140 18349 2650 1 9 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.109 0.312 18349 2651 1 9 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.842 -0.409 18349 2652 1 9 . 1 1 13 13 ALA N N 13 125.942 125.942 127.241 -1.299 18349 2653 1 9 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.528 -0.217 18349 2654 1 9 . 1 1 13 13 ALA CA C 13 51.973 51.973 50.990 0.983 18349 2655 1 9 . 1 1 13 13 ALA CB C 13 20.258 20.258 20.498 -0.240 18349 2656 1 9 . 1 1 14 14 ALA N N 14 125.619 125.619 124.197 1.422 18349 2657 1 9 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.252 -0.131 18349 2658 1 9 . 1 1 14 14 ALA CA C 14 54.677 54.677 51.754 2.923 18349 2659 1 9 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.047 0.320 18349 2660 1 9 . 1 1 15 15 ASP N N 15 114.584 114.584 121.596 -7.012 18349 2661 1 9 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.114 0.368 18349 2662 1 9 . 1 1 15 15 ASP CA C 15 52.858 52.858 56.557 -3.699 18349 2663 1 9 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.055 1.009 18349 2664 1 9 . 1 1 16 16 LEU N N 16 115.700 115.700 120.247 -4.547 18349 2665 1 9 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.380 -0.713 18349 2666 1 9 . 1 1 16 16 LEU CA C 16 56.389 56.389 56.338 0.051 18349 2667 1 9 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.127 -1.866 18349 2668 1 9 . 1 1 17 17 SER N N 17 112.160 112.160 112.318 -0.158 18349 2669 1 9 . 1 1 17 17 SER HA H 17 4.389 4.389 4.520 -0.131 18349 2670 1 9 . 1 1 17 17 SER CA C 17 59.732 59.732 59.073 0.659 18349 2671 1 9 . 1 1 17 17 SER CB C 17 64.092 64.092 64.448 -0.356 18349 2672 1 9 . 1 1 18 18 SER N N 18 114.973 114.973 116.538 -1.565 18349 2673 1 9 . 1 1 18 18 SER HA H 18 5.024 5.024 4.487 0.537 18349 2674 1 9 . 1 1 18 18 SER CA C 18 56.996 56.996 59.163 -2.167 18349 2675 1 9 . 1 1 18 18 SER CB C 18 65.549 65.549 63.683 1.866 18349 2676 1 9 . 1 1 19 19 ALA N N 19 122.800 122.800 123.684 -0.884 18349 2677 1 9 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.627 0.366 18349 2678 1 9 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.886 -1.249 18349 2679 1 9 . 1 1 19 19 ALA CB C 19 23.521 23.521 21.068 2.453 18349 2680 1 9 . 1 1 20 20 THR N N 20 115.578 115.578 115.106 0.472 18349 2681 1 9 . 1 1 20 20 THR HA H 20 5.016 5.016 4.535 0.481 18349 2682 1 9 . 1 1 20 20 THR CA C 20 61.219 61.219 61.165 0.054 18349 2683 1 9 . 1 1 20 20 THR CB C 20 71.159 71.159 70.159 1.000 18349 2684 1 9 . 1 1 21 21 LEU N N 21 126.796 126.796 124.879 1.917 18349 2685 1 9 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.410 0.311 18349 2686 1 9 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.623 -0.944 18349 2687 1 9 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.240 2.660 18349 2688 1 9 . 1 1 22 22 ASP N N 22 124.700 124.700 120.945 3.755 18349 2689 1 9 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.412 0.345 18349 2690 1 9 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.401 -0.384 18349 2691 1 9 . 1 1 22 22 ASP CB C 22 41.983 41.983 41.322 0.661 18349 2692 1 9 . 1 1 23 23 ILE N N 23 124.629 124.629 124.866 -0.237 18349 2693 1 9 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.273 -0.242 18349 2694 1 9 . 1 1 23 23 ILE CA C 23 59.629 59.629 61.504 -1.875 18349 2695 1 9 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.688 -0.626 18349 2696 1 9 . 1 1 24 24 SER N N 24 125.361 125.361 122.698 2.663 18349 2697 1 9 . 1 1 24 24 SER HA H 24 4.398 4.398 4.597 -0.199 18349 2698 1 9 . 1 1 24 24 SER CA C 24 58.184 58.184 57.391 0.793 18349 2699 1 9 . 1 1 24 24 SER CB C 24 64.557 64.557 64.211 0.346 18349 2700 1 9 . 1 1 25 25 LYS N N 25 124.630 124.630 119.743 4.887 18349 2701 1 9 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.105 0.076 18349 2702 1 9 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.260 2.167 18349 2703 1 9 . 1 1 25 25 LYS CB C 25 32.042 32.042 33.268 -1.226 18349 2704 1 9 . 1 1 26 26 GLN N N 26 117.379 117.379 119.680 -2.301 18349 2705 1 9 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.296 -0.230 18349 2706 1 9 . 1 1 26 26 GLN CA C 26 59.321 59.321 54.515 4.806 18349 2707 1 9 . 1 1 26 26 GLN CB C 26 28.773 28.773 27.757 1.016 18349 2708 1 9 . 1 1 27 27 TRP N N 27 118.412 118.412 126.115 -7.703 18349 2709 1 9 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.706 -0.145 18349 2710 1 9 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.615 2.613 18349 2711 1 9 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.689 0.432 18349 2712 1 9 . 1 1 28 28 SER N N 28 117.604 117.604 113.992 3.612 18349 2713 1 9 . 1 1 28 28 SER HA H 28 4.009 4.009 4.715 -0.706 18349 2714 1 9 . 1 1 28 28 SER CA C 28 62.130 62.130 57.581 4.549 18349 2715 1 9 . 1 1 28 28 SER CB C 28 62.273 62.273 64.105 -1.832 18349 2716 1 9 . 1 1 29 29 ASN N N 29 121.383 121.383 119.969 1.414 18349 2717 1 9 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.558 0.037 18349 2718 1 9 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.514 2.310 18349 2719 1 9 . 1 1 29 29 ASN CB C 29 38.163 38.163 38.739 -0.576 18349 2720 1 9 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.567 -7.345 18349 2721 1 9 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.860 -2.366 18349 2722 1 9 . 1 1 31 31 PHE N N 31 121.135 121.135 119.631 1.504 18349 2723 1 9 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.004 -0.487 18349 2724 1 9 . 1 1 31 31 PHE CA C 31 62.835 62.835 59.503 3.332 18349 2725 1 9 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.248 3.908 18349 2726 1 9 . 1 1 32 32 ASN N N 32 117.099 117.099 119.116 -2.017 18349 2727 1 9 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.342 0.026 18349 2728 1 9 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.118 0.897 18349 2729 1 9 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.575 0.264 18349 2730 1 9 . 1 1 33 33 ILE N N 33 120.541 120.541 118.824 1.717 18349 2731 1 9 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.820 -0.031 18349 2732 1 9 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.793 0.727 18349 2733 1 9 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.019 1.321 18349 2734 1 9 . 1 1 34 34 LEU N N 34 121.099 121.099 118.676 2.423 18349 2735 1 9 . 1 1 34 34 LEU HA H 34 3.858 3.858 4.365 -0.507 18349 2736 1 9 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.081 0.738 18349 2737 1 9 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.199 -0.534 18349 2738 1 9 . 1 1 35 35 ARG N N 35 122.638 122.638 119.162 3.476 18349 2739 1 9 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.226 -0.370 18349 2740 1 9 . 1 1 35 35 ARG CA C 35 59.121 59.121 58.749 0.372 18349 2741 1 9 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.357 -0.508 18349 2742 1 9 . 1 1 36 36 GLU N N 36 120.533 120.533 119.518 1.015 18349 2743 1 9 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.199 -0.089 18349 2744 1 9 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.315 -0.105 18349 2745 1 9 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.672 0.056 18349 2746 1 9 . 1 1 37 37 ASN N N 37 115.321 115.321 115.168 0.153 18349 2747 1 9 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.755 0.083 18349 2748 1 9 . 1 1 37 37 ASN CA C 37 53.744 53.744 52.703 1.042 18349 2749 1 9 . 1 1 37 37 ASN CB C 37 40.546 40.546 38.634 1.912 18349 2750 1 9 . 1 1 38 38 ASP N N 38 111.921 111.921 118.342 -6.421 18349 2751 1 9 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.570 0.115 18349 2752 1 9 . 1 1 38 38 ASP CA C 38 56.511 56.511 54.928 1.583 18349 2753 1 9 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.416 -1.214 18349 2754 1 9 . 1 1 39 39 PHE N N 39 114.378 114.378 119.824 -5.446 18349 2755 1 9 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.527 0.057 18349 2756 1 9 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.447 1.972 18349 2757 1 9 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.209 -0.244 18349 2758 1 9 . 1 1 40 40 GLU N N 40 115.531 115.531 118.742 -3.211 18349 2759 1 9 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.230 -0.322 18349 2760 1 9 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.259 -0.004 18349 2761 1 9 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.316 0.410 18349 2762 1 9 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.507 0.786 18349 2763 1 9 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.511 -0.612 18349 2764 1 9 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.305 0.846 18349 2765 1 9 . 1 1 42 42 LYS N N 42 118.255 118.255 120.347 -2.092 18349 2766 1 9 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.502 0.198 18349 2767 1 9 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.532 -0.056 18349 2768 1 9 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.916 2.807 18349 2769 1 9 . 1 1 43 43 PHE N N 43 122.245 122.245 122.010 0.235 18349 2770 1 9 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.542 0.903 18349 2771 1 9 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.274 -0.778 18349 2772 1 9 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.693 1.436 18349 2773 1 9 . 1 1 44 44 LEU N N 44 124.272 124.272 124.692 -0.420 18349 2774 1 9 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.533 0.280 18349 2775 1 9 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.814 -1.604 18349 2776 1 9 . 1 1 44 44 LEU CB C 44 44.365 44.365 42.212 2.153 18349 2777 1 9 . 1 1 45 45 CYS N N 45 120.218 120.218 118.585 1.633 18349 2778 1 9 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.374 0.816 18349 2779 1 9 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.995 -2.114 18349 2780 1 9 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.084 3.425 18349 2781 1 9 . 1 1 46 46 GLU N N 46 127.444 127.444 121.614 5.830 18349 2782 1 9 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.381 0.221 18349 2783 1 9 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.424 -1.226 18349 2784 1 9 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.202 3.176 18349 2785 1 9 . 1 1 47 47 VAL N N 47 126.664 126.664 123.256 3.408 18349 2786 1 9 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.296 0.436 18349 2787 1 9 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.366 -0.256 18349 2788 1 9 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.894 0.570 18349 2789 1 9 . 1 1 48 48 LYS N N 48 124.434 124.434 119.485 4.949 18349 2790 1 9 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.566 0.301 18349 2791 1 9 . 1 1 48 48 LYS CA C 48 54.152 54.152 55.393 -1.241 18349 2792 1 9 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.929 3.842 18349 2793 1 9 . 1 1 49 49 LEU N N 49 124.048 124.048 127.081 -3.033 18349 2794 1 9 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.475 0.436 18349 2795 1 9 . 1 1 49 49 LEU CA C 49 53.967 53.967 53.958 0.009 18349 2796 1 9 . 1 1 49 49 LEU CB C 49 45.981 45.981 42.043 3.938 18349 2797 1 9 . 1 1 50 50 ALA N N 50 130.149 130.149 129.358 0.791 18349 2798 1 9 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.630 1.210 18349 2799 1 9 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.510 -1.235 18349 2800 1 9 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.038 4.996 18349 2801 1 9 . 1 1 51 51 PHE N N 51 115.001 115.001 121.387 -6.386 18349 2802 1 9 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.962 -0.151 18349 2803 1 9 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.075 1.660 18349 2804 1 9 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.476 -1.214 18349 2805 1 9 . 1 1 52 52 LYS N N 52 122.139 122.139 122.267 -0.128 18349 2806 1 9 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.600 0.304 18349 2807 1 9 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.767 -0.397 18349 2808 1 9 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.043 2.032 18349 2809 1 9 . 1 1 53 53 CYS N N 53 125.893 125.893 128.036 -2.143 18349 2810 1 9 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.755 0.046 18349 2811 1 9 . 1 1 53 53 CYS CA C 53 58.656 58.656 57.886 0.770 18349 2812 1 9 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.412 -0.458 18349 2813 1 9 . 1 1 54 54 ASP N N 54 131.027 131.027 127.636 3.391 18349 2814 1 9 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.376 -0.020 18349 2815 1 9 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.600 0.189 18349 2816 1 9 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.906 -1.064 18349 2817 1 9 . 1 1 55 55 GLY N N 55 104.172 104.172 104.926 -0.754 18349 2818 1 9 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.880 0.805 18349 2819 1 9 . 1 1 56 56 GLU N N 56 120.557 120.557 120.221 0.336 18349 2820 1 9 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.749 -0.110 18349 2821 1 9 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.147 -0.078 18349 2822 1 9 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.958 1.540 18349 2823 1 9 . 1 1 57 57 ILE N N 57 123.029 123.029 123.070 -0.041 18349 2824 1 9 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.417 -0.061 18349 2825 1 9 . 1 1 57 57 ILE CA C 57 59.809 59.809 60.370 -0.561 18349 2826 1 9 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.112 -0.236 18349 2827 1 9 . 1 1 58 58 LYS N N 58 130.275 130.275 129.607 0.668 18349 2828 1 9 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.491 -0.301 18349 2829 1 9 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.185 -0.926 18349 2830 1 9 . 1 1 58 58 LYS CB C 58 33.114 33.114 33.150 -0.036 18349 2831 1 9 . 1 1 59 59 THR N N 59 112.811 112.811 117.186 -4.375 18349 2832 1 9 . 1 1 59 59 THR HA H 59 5.100 5.100 4.515 0.585 18349 2833 1 9 . 1 1 59 59 THR CA C 59 60.409 60.409 61.802 -1.393 18349 2834 1 9 . 1 1 59 59 THR CB C 59 70.886 70.886 67.996 2.890 18349 2835 1 9 . 1 1 60 60 PHE N N 60 121.789 121.789 126.248 -4.459 18349 2836 1 9 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.841 -0.073 18349 2837 1 9 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.439 0.184 18349 2838 1 9 . 1 1 60 60 PHE CB C 60 44.138 44.138 43.544 0.594 18349 2839 1 9 . 1 1 61 61 SER N N 61 116.498 116.498 115.000 1.498 18349 2840 1 9 . 1 1 61 61 SER HA H 61 4.876 4.876 4.580 0.296 18349 2841 1 9 . 1 1 61 61 SER CA C 61 58.232 58.232 58.565 -0.333 18349 2842 1 9 . 1 1 61 61 SER CB C 61 64.611 64.611 64.228 0.383 18349 2843 1 9 . 1 1 62 62 ASP N N 62 117.813 117.813 121.638 -3.825 18349 2844 1 9 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.957 0.119 18349 2845 1 9 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.506 -0.260 18349 2846 1 9 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.955 1.220 18349 2847 1 9 . 1 1 63 63 LEU N N 63 122.385 122.385 125.990 -3.605 18349 2848 1 9 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.058 -0.235 18349 2849 1 9 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.844 -1.026 18349 2850 1 9 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.470 -0.495 18349 2851 1 9 . 1 1 64 64 GLN N N 64 121.981 121.981 119.117 2.864 18349 2852 1 9 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.115 -0.105 18349 2853 1 9 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.571 -0.192 18349 2854 1 9 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.240 -0.645 18349 2855 1 9 . 1 1 65 65 SER N N 65 118.758 118.758 114.918 3.840 18349 2856 1 9 . 1 1 65 65 SER HA H 65 4.220 4.220 4.312 -0.092 18349 2857 1 9 . 1 1 65 65 SER CA C 65 62.205 62.205 61.153 1.052 18349 2858 1 9 . 1 1 65 65 SER CB C 65 62.355 62.355 62.911 -0.556 18349 2859 1 9 . 1 1 66 66 LEU N N 66 125.879 125.879 123.376 2.503 18349 2860 1 9 . 1 1 66 66 LEU HA H 66 3.181 3.181 4.198 -1.017 18349 2861 1 9 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.236 0.903 18349 2862 1 9 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.632 -0.363 18349 2863 1 9 . 1 1 67 67 ARG N N 67 121.270 121.270 119.369 1.901 18349 2864 1 9 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.954 -0.343 18349 2865 1 9 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.245 -0.250 18349 2866 1 9 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.034 -0.209 18349 2867 1 9 . 1 1 68 68 LYS N N 68 120.624 120.624 118.279 2.345 18349 2868 1 9 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.087 -0.136 18349 2869 1 9 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.263 0.219 18349 2870 1 9 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.367 -0.074 18349 2871 1 9 . 1 1 69 69 PHE N N 69 122.104 122.104 119.967 2.137 18349 2872 1 9 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.302 -0.046 18349 2873 1 9 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.796 0.419 18349 2874 1 9 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.536 0.635 18349 2875 1 9 . 1 1 70 70 ALA N N 70 121.297 121.297 121.390 -0.093 18349 2876 1 9 . 1 1 70 70 ALA HA H 70 3.732 3.732 4.082 -0.350 18349 2877 1 9 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.791 -0.336 18349 2878 1 9 . 1 1 70 70 ALA CB C 70 18.697 18.697 17.957 0.740 18349 2879 1 9 . 1 1 71 71 SER N N 71 109.734 109.734 112.542 -2.808 18349 2880 1 9 . 1 1 71 71 SER HA H 71 3.948 3.948 4.204 -0.256 18349 2881 1 9 . 1 1 71 71 SER CA C 71 60.995 60.995 60.467 0.528 18349 2882 1 9 . 1 1 71 71 SER CB C 71 63.451 63.451 62.979 0.472 18349 2883 1 9 . 1 1 72 72 GLN N N 72 118.485 118.485 116.689 1.796 18349 2884 1 9 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.351 -0.044 18349 2885 1 9 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.692 -0.548 18349 2886 1 9 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.202 0.417 18349 2887 1 9 . 1 1 73 73 LYS N N 73 121.680 121.680 122.313 -0.633 18349 2888 1 9 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.487 0.110 18349 2889 1 9 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.068 -0.849 18349 2890 1 9 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.924 0.219 18349 2891 1 9 . 1 1 74 74 SER CA C 74 62.000 62.000 61.728 0.272 18349 2892 1 9 . 1 1 74 74 SER CB C 74 62.392 62.392 63.105 -0.713 18349 2893 1 9 . 1 1 75 75 SER N N 75 115.269 115.269 115.635 -0.366 18349 2894 1 9 . 1 1 75 75 SER HA H 75 4.299 4.299 4.357 -0.058 18349 2895 1 9 . 1 1 75 75 SER CA C 75 59.939 59.939 59.725 0.214 18349 2896 1 9 . 1 1 75 75 SER CB C 75 62.592 62.592 63.170 -0.578 18349 2897 1 9 . 1 1 76 76 MET N N 76 119.989 119.989 122.283 -2.294 18349 2898 1 9 . 1 1 76 76 MET HA H 76 4.338 4.338 4.280 0.058 18349 2899 1 9 . 1 1 76 76 MET CA C 76 57.159 57.159 58.245 -1.086 18349 2900 1 9 . 1 1 76 76 MET CB C 76 34.819 34.819 32.260 2.559 18349 2901 1 9 . 1 1 77 77 LYS N N 77 121.432 121.432 120.257 1.175 18349 2902 1 9 . 1 1 77 77 LYS HA H 77 3.613 3.613 3.953 -0.340 18349 2903 1 9 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.985 0.148 18349 2904 1 9 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.358 -0.100 18349 2905 1 9 . 1 1 78 78 GLU N N 78 117.200 117.200 117.128 0.072 18349 2906 1 9 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.264 -0.135 18349 2907 1 9 . 1 1 78 78 GLU CA C 78 57.530 57.530 57.575 -0.045 18349 2908 1 9 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.352 0.173 18349 2909 1 9 . 1 1 79 79 LEU N N 79 119.315 119.315 119.734 -0.419 18349 2910 1 9 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.226 -0.202 18349 2911 1 9 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.119 -0.037 18349 2912 1 9 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.133 0.738 18349 2913 1 9 . 1 1 80 80 LEU N N 80 114.760 114.760 119.156 -4.396 18349 2914 1 9 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.150 0.146 18349 2915 1 9 . 1 1 80 80 LEU CA C 80 53.874 53.874 56.503 -2.629 18349 2916 1 9 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.917 0.791 18349 2917 1 9 . 1 1 81 81 LYS N N 81 120.468 120.468 117.058 3.410 18349 2918 1 9 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.155 -0.243 18349 2919 1 9 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.709 0.492 18349 2920 1 9 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.541 0.868 18349 2921 1 9 . 1 1 82 82 ASP N N 82 118.031 118.031 118.808 -0.777 18349 2922 1 9 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.527 0.166 18349 2923 1 9 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.492 -1.374 18349 2924 1 9 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.987 -0.542 18349 2925 1 9 . 1 1 83 83 VAL N N 83 115.842 115.842 114.912 0.930 18349 2926 1 9 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.288 -0.096 18349 2927 1 9 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.253 -0.441 18349 2928 1 9 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.036 -0.283 18349 2929 1 9 . 1 1 84 84 LEU N N 84 123.084 123.084 122.983 0.101 18349 2930 1 9 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.962 -0.420 18349 2931 1 9 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.490 0.548 18349 2932 1 9 . 1 1 84 84 LEU CB C 84 42.140 42.140 45.340 -3.200 18349 2933 1 9 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.439 -0.103 18349 2934 1 9 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.598 -0.745 18349 2935 1 9 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.444 0.734 18349 2936 1 9 . 1 1 86 86 GLN N N 86 121.533 121.533 124.324 -2.791 18349 2937 1 9 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.535 -0.391 18349 2938 1 9 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.441 1.248 18349 2939 1 9 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.213 -0.595 18349 2940 1 9 . 1 1 87 87 LYS N N 87 123.688 123.688 121.436 2.252 18349 2941 1 9 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.199 0.047 18349 2942 1 9 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.800 -1.558 18349 2943 1 9 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.259 1.269 18349 2944 1 10 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.609 -0.358 18349 2945 1 10 . 1 1 3 3 LEU CA C 3 55.335 55.335 53.925 1.411 18349 2946 1 10 . 1 1 3 3 LEU CB C 3 42.301 42.301 44.174 -1.873 18349 2947 1 10 . 1 1 4 4 MET N N 4 121.761 121.761 119.688 2.073 18349 2948 1 10 . 1 1 4 4 MET HA H 4 4.422 4.422 4.715 -0.293 18349 2949 1 10 . 1 1 4 4 MET CA C 4 55.404 55.404 54.765 0.639 18349 2950 1 10 . 1 1 4 4 MET CB C 4 33.059 33.059 32.992 0.067 18349 2951 1 10 . 1 1 5 5 ASP N N 5 122.449 122.449 122.800 -0.351 18349 2952 1 10 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.538 0.041 18349 2953 1 10 . 1 1 5 5 ASP CA C 5 54.696 54.696 55.306 -0.610 18349 2954 1 10 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.096 0.210 18349 2955 1 10 . 1 1 6 6 GLU N N 6 121.856 121.856 124.862 -3.006 18349 2956 1 10 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.528 -0.254 18349 2957 1 10 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.969 0.938 18349 2958 1 10 . 1 1 6 6 GLU CB C 6 30.047 30.047 28.662 1.385 18349 2959 1 10 . 1 1 7 7 GLY N N 7 110.268 110.268 111.828 -1.560 18349 2960 1 10 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.782 0.756 18349 2961 1 10 . 1 1 8 8 ALA N N 8 123.141 123.141 120.733 2.408 18349 2962 1 10 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.923 -0.400 18349 2963 1 10 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.364 0.486 18349 2964 1 10 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.208 0.524 18349 2965 1 10 . 1 1 9 9 VAL N N 9 120.521 120.521 117.060 3.461 18349 2966 1 10 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.594 -0.375 18349 2967 1 10 . 1 1 9 9 VAL CA C 9 61.901 61.901 60.755 1.146 18349 2968 1 10 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.507 1.429 18349 2969 1 10 . 1 1 10 10 LEU N N 10 128.790 128.790 122.068 6.722 18349 2970 1 10 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.336 0.323 18349 2971 1 10 . 1 1 10 10 LEU CA C 10 54.202 54.202 55.192 -0.990 18349 2972 1 10 . 1 1 10 10 LEU CB C 10 43.815 43.815 39.767 4.048 18349 2973 1 10 . 1 1 11 11 THR HA H 11 5.349 5.349 4.477 0.872 18349 2974 1 10 . 1 1 11 11 THR CA C 11 60.386 60.386 62.097 -1.711 18349 2975 1 10 . 1 1 11 11 THR CB C 11 72.001 72.001 68.746 3.255 18349 2976 1 10 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.869 -0.408 18349 2977 1 10 . 1 1 12 12 LEU CA C 12 54.421 54.421 53.700 0.721 18349 2978 1 10 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.361 0.072 18349 2979 1 10 . 1 1 13 13 ALA N N 13 125.942 125.942 127.756 -1.814 18349 2980 1 10 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.441 -0.130 18349 2981 1 10 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.698 0.275 18349 2982 1 10 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.831 0.426 18349 2983 1 10 . 1 1 14 14 ALA N N 14 125.619 125.619 122.205 3.414 18349 2984 1 10 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.000 0.121 18349 2985 1 10 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.864 -0.187 18349 2986 1 10 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.447 -0.081 18349 2987 1 10 . 1 1 15 15 ASP N N 15 114.584 114.584 117.820 -3.236 18349 2988 1 10 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.553 -0.071 18349 2989 1 10 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.421 -2.563 18349 2990 1 10 . 1 1 15 15 ASP CB C 15 40.064 40.064 41.287 -1.223 18349 2991 1 10 . 1 1 16 16 LEU N N 16 115.700 115.700 117.240 -1.540 18349 2992 1 10 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.582 -0.915 18349 2993 1 10 . 1 1 16 16 LEU CA C 16 56.389 56.389 54.176 2.213 18349 2994 1 10 . 1 1 16 16 LEU CB C 16 40.261 40.261 44.904 -4.643 18349 2995 1 10 . 1 1 17 17 SER N N 17 112.160 112.160 117.666 -5.506 18349 2996 1 10 . 1 1 17 17 SER HA H 17 4.389 4.389 4.456 -0.067 18349 2997 1 10 . 1 1 17 17 SER CA C 17 59.732 59.732 59.168 0.564 18349 2998 1 10 . 1 1 17 17 SER CB C 17 64.092 64.092 61.826 2.266 18349 2999 1 10 . 1 1 18 18 SER N N 18 114.973 114.973 117.987 -3.014 18349 3000 1 10 . 1 1 18 18 SER HA H 18 5.024 5.024 4.631 0.393 18349 3001 1 10 . 1 1 18 18 SER CA C 18 56.996 56.996 57.910 -0.914 18349 3002 1 10 . 1 1 18 18 SER CB C 18 65.549 65.549 63.729 1.820 18349 3003 1 10 . 1 1 19 19 ALA N N 19 122.800 122.800 128.031 -5.231 18349 3004 1 10 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.589 0.404 18349 3005 1 10 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.682 -1.045 18349 3006 1 10 . 1 1 19 19 ALA CB C 19 23.521 23.521 20.426 3.095 18349 3007 1 10 . 1 1 20 20 THR N N 20 115.578 115.578 117.138 -1.560 18349 3008 1 10 . 1 1 20 20 THR HA H 20 5.016 5.016 4.320 0.696 18349 3009 1 10 . 1 1 20 20 THR CA C 20 61.219 61.219 62.116 -0.897 18349 3010 1 10 . 1 1 20 20 THR CB C 20 71.159 71.159 69.136 2.022 18349 3011 1 10 . 1 1 21 21 LEU N N 21 126.796 126.796 125.578 1.218 18349 3012 1 10 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.248 0.473 18349 3013 1 10 . 1 1 21 21 LEU CA C 21 53.679 53.679 55.679 -2.000 18349 3014 1 10 . 1 1 21 21 LEU CB C 21 44.900 44.900 41.129 3.771 18349 3015 1 10 . 1 1 22 22 ASP N N 22 124.700 124.700 126.079 -1.379 18349 3016 1 10 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.635 0.122 18349 3017 1 10 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.276 0.741 18349 3018 1 10 . 1 1 22 22 ASP CB C 22 41.983 41.983 42.271 -0.288 18349 3019 1 10 . 1 1 23 23 ILE N N 23 124.629 124.629 117.203 7.426 18349 3020 1 10 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.219 -0.188 18349 3021 1 10 . 1 1 23 23 ILE CA C 23 59.629 59.629 61.295 -1.666 18349 3022 1 10 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.924 -0.862 18349 3023 1 10 . 1 1 24 24 SER N N 24 125.361 125.361 117.550 7.811 18349 3024 1 10 . 1 1 24 24 SER HA H 24 4.398 4.398 4.659 -0.261 18349 3025 1 10 . 1 1 24 24 SER CA C 24 58.184 58.184 57.597 0.587 18349 3026 1 10 . 1 1 24 24 SER CB C 24 64.557 64.557 64.139 0.418 18349 3027 1 10 . 1 1 25 25 LYS N N 25 124.630 124.630 125.738 -1.108 18349 3028 1 10 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.591 -0.410 18349 3029 1 10 . 1 1 25 25 LYS CA C 25 58.427 58.427 54.881 3.546 18349 3030 1 10 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.762 -0.720 18349 3031 1 10 . 1 1 26 26 GLN N N 26 117.379 117.379 122.848 -5.469 18349 3032 1 10 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.475 -0.409 18349 3033 1 10 . 1 1 26 26 GLN CA C 26 59.321 59.321 56.376 2.945 18349 3034 1 10 . 1 1 26 26 GLN CB C 26 28.773 28.773 28.882 -0.109 18349 3035 1 10 . 1 1 27 27 TRP N N 27 118.412 118.412 126.736 -8.324 18349 3036 1 10 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.825 -0.264 18349 3037 1 10 . 1 1 27 27 TRP CA C 27 60.228 60.228 56.379 3.849 18349 3038 1 10 . 1 1 27 27 TRP CB C 27 30.121 30.121 30.267 -0.146 18349 3039 1 10 . 1 1 28 28 SER N N 28 117.604 117.604 119.051 -1.447 18349 3040 1 10 . 1 1 28 28 SER HA H 28 4.009 4.009 4.283 -0.274 18349 3041 1 10 . 1 1 28 28 SER CA C 28 62.130 62.130 58.984 3.146 18349 3042 1 10 . 1 1 28 28 SER CB C 28 62.273 62.273 61.205 1.068 18349 3043 1 10 . 1 1 29 29 ASN N N 29 121.383 121.383 120.745 0.638 18349 3044 1 10 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.357 0.238 18349 3045 1 10 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.481 2.343 18349 3046 1 10 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.573 0.590 18349 3047 1 10 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.295 -7.073 18349 3048 1 10 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.991 -3.497 18349 3049 1 10 . 1 1 31 31 PHE N N 31 121.135 121.135 116.822 4.313 18349 3050 1 10 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.771 -1.254 18349 3051 1 10 . 1 1 31 31 PHE CA C 31 62.835 62.835 56.297 6.538 18349 3052 1 10 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.597 1.559 18349 3053 1 10 . 1 1 32 32 ASN N N 32 117.099 117.099 120.903 -3.804 18349 3054 1 10 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.337 0.031 18349 3055 1 10 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.957 0.058 18349 3056 1 10 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.445 0.394 18349 3057 1 10 . 1 1 33 33 ILE N N 33 120.541 120.541 119.099 1.442 18349 3058 1 10 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.677 0.112 18349 3059 1 10 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.350 0.170 18349 3060 1 10 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.659 0.680 18349 3061 1 10 . 1 1 34 34 LEU N N 34 121.099 121.099 118.766 2.333 18349 3062 1 10 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.638 0.220 18349 3063 1 10 . 1 1 34 34 LEU CA C 34 57.819 57.819 58.010 -0.190 18349 3064 1 10 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.255 -0.590 18349 3065 1 10 . 1 1 35 35 ARG N N 35 122.638 122.638 119.616 3.022 18349 3066 1 10 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.027 -0.171 18349 3067 1 10 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.387 -0.266 18349 3068 1 10 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.262 -0.413 18349 3069 1 10 . 1 1 36 36 GLU N N 36 120.533 120.533 119.876 0.657 18349 3070 1 10 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.175 -0.065 18349 3071 1 10 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.680 -0.470 18349 3072 1 10 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.211 0.518 18349 3073 1 10 . 1 1 37 37 ASN N N 37 115.321 115.321 114.859 0.462 18349 3074 1 10 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.847 -0.009 18349 3075 1 10 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.479 0.265 18349 3076 1 10 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.194 1.353 18349 3077 1 10 . 1 1 38 38 ASP N N 38 111.921 111.921 117.751 -5.830 18349 3078 1 10 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.420 0.265 18349 3079 1 10 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.608 0.903 18349 3080 1 10 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.839 -0.637 18349 3081 1 10 . 1 1 39 39 PHE N N 39 114.378 114.378 118.378 -4.000 18349 3082 1 10 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.445 0.139 18349 3083 1 10 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.215 2.203 18349 3084 1 10 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.338 -0.373 18349 3085 1 10 . 1 1 40 40 GLU N N 40 115.531 115.531 119.450 -3.919 18349 3086 1 10 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.099 -0.191 18349 3087 1 10 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.754 0.501 18349 3088 1 10 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.227 -0.501 18349 3089 1 10 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.500 0.793 18349 3090 1 10 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.566 -0.667 18349 3091 1 10 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.584 0.567 18349 3092 1 10 . 1 1 42 42 LYS N N 42 118.255 118.255 119.491 -1.236 18349 3093 1 10 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.099 0.601 18349 3094 1 10 . 1 1 42 42 LYS CA C 42 55.476 55.476 57.258 -1.782 18349 3095 1 10 . 1 1 42 42 LYS CB C 42 36.723 36.723 32.755 3.968 18349 3096 1 10 . 1 1 43 43 PHE N N 43 122.245 122.245 116.592 5.653 18349 3097 1 10 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.577 0.868 18349 3098 1 10 . 1 1 43 43 PHE CA C 43 57.496 57.496 56.881 0.615 18349 3099 1 10 . 1 1 43 43 PHE CB C 43 41.129 41.129 41.177 -0.048 18349 3100 1 10 . 1 1 44 44 LEU N N 44 124.272 124.272 126.219 -1.947 18349 3101 1 10 . 1 1 44 44 LEU HA H 44 4.813 4.813 3.699 1.114 18349 3102 1 10 . 1 1 44 44 LEU CA C 44 53.210 53.210 53.462 -0.252 18349 3103 1 10 . 1 1 44 44 LEU CB C 44 44.365 44.365 38.700 5.665 18349 3104 1 10 . 1 1 45 45 CYS N N 45 120.218 120.218 115.771 4.447 18349 3105 1 10 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.162 1.028 18349 3106 1 10 . 1 1 45 45 CYS CA C 45 56.881 56.881 59.998 -3.117 18349 3107 1 10 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.316 3.193 18349 3108 1 10 . 1 1 46 46 GLU N N 46 127.444 127.444 118.599 8.845 18349 3109 1 10 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.528 0.074 18349 3110 1 10 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.694 -0.496 18349 3111 1 10 . 1 1 46 46 GLU CB C 46 32.378 32.378 30.295 2.083 18349 3112 1 10 . 1 1 47 47 VAL N N 47 126.664 126.664 118.239 8.425 18349 3113 1 10 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.346 0.386 18349 3114 1 10 . 1 1 47 47 VAL CA C 47 61.110 61.110 60.542 0.568 18349 3115 1 10 . 1 1 47 47 VAL CB C 47 33.464 33.464 34.468 -1.004 18349 3116 1 10 . 1 1 48 48 LYS N N 48 124.434 124.434 120.071 4.363 18349 3117 1 10 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.575 0.292 18349 3118 1 10 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.312 -0.160 18349 3119 1 10 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.782 2.989 18349 3120 1 10 . 1 1 49 49 LEU N N 49 124.048 124.048 124.447 -0.399 18349 3121 1 10 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.410 0.501 18349 3122 1 10 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.739 -0.772 18349 3123 1 10 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.149 4.832 18349 3124 1 10 . 1 1 50 50 ALA N N 50 130.149 130.149 128.642 1.507 18349 3125 1 10 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.931 0.909 18349 3126 1 10 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.342 -1.067 18349 3127 1 10 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.215 4.819 18349 3128 1 10 . 1 1 51 51 PHE N N 51 115.001 115.001 120.538 -5.537 18349 3129 1 10 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.971 -0.160 18349 3130 1 10 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.425 1.310 18349 3131 1 10 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.863 -1.601 18349 3132 1 10 . 1 1 52 52 LYS N N 52 122.139 122.139 121.703 0.436 18349 3133 1 10 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.770 0.134 18349 3134 1 10 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.592 -0.222 18349 3135 1 10 . 1 1 52 52 LYS CB C 52 34.075 34.075 34.245 -0.170 18349 3136 1 10 . 1 1 53 53 CYS N N 53 125.893 125.893 127.974 -2.081 18349 3137 1 10 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.822 -0.020 18349 3138 1 10 . 1 1 53 53 CYS CA C 53 58.656 58.656 57.539 1.117 18349 3139 1 10 . 1 1 53 53 CYS CB C 53 28.954 28.954 27.719 1.235 18349 3140 1 10 . 1 1 54 54 ASP N N 54 131.027 131.027 127.587 3.440 18349 3141 1 10 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.356 0.000 18349 3142 1 10 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.738 0.051 18349 3143 1 10 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.521 -0.679 18349 3144 1 10 . 1 1 55 55 GLY N N 55 104.172 104.172 104.703 -0.531 18349 3145 1 10 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.955 0.730 18349 3146 1 10 . 1 1 56 56 GLU N N 56 120.557 120.557 121.920 -1.363 18349 3147 1 10 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.679 -0.040 18349 3148 1 10 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.729 -0.660 18349 3149 1 10 . 1 1 56 56 GLU CB C 56 33.498 33.498 30.634 2.864 18349 3150 1 10 . 1 1 57 57 ILE N N 57 123.029 123.029 124.645 -1.616 18349 3151 1 10 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.433 -0.077 18349 3152 1 10 . 1 1 57 57 ILE CA C 57 59.809 59.809 60.236 -0.427 18349 3153 1 10 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.074 -0.198 18349 3154 1 10 . 1 1 58 58 LYS N N 58 130.275 130.275 128.010 2.265 18349 3155 1 10 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.450 -0.260 18349 3156 1 10 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.060 -0.801 18349 3157 1 10 . 1 1 58 58 LYS CB C 58 33.114 33.114 34.850 -1.736 18349 3158 1 10 . 1 1 59 59 THR N N 59 112.811 112.811 112.448 0.363 18349 3159 1 10 . 1 1 59 59 THR HA H 59 5.100 5.100 4.831 0.269 18349 3160 1 10 . 1 1 59 59 THR CA C 59 60.409 60.409 60.309 0.100 18349 3161 1 10 . 1 1 59 59 THR CB C 59 70.886 70.886 69.716 1.170 18349 3162 1 10 . 1 1 60 60 PHE N N 60 121.789 121.789 125.969 -4.180 18349 3163 1 10 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.871 -0.103 18349 3164 1 10 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.078 0.545 18349 3165 1 10 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.175 1.963 18349 3166 1 10 . 1 1 61 61 SER N N 61 116.498 116.498 118.668 -2.170 18349 3167 1 10 . 1 1 61 61 SER HA H 61 4.876 4.876 4.624 0.252 18349 3168 1 10 . 1 1 61 61 SER CA C 61 58.232 58.232 58.472 -0.240 18349 3169 1 10 . 1 1 61 61 SER CB C 61 64.611 64.611 64.858 -0.247 18349 3170 1 10 . 1 1 62 62 ASP N N 62 117.813 117.813 121.919 -4.106 18349 3171 1 10 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.886 0.190 18349 3172 1 10 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.181 0.065 18349 3173 1 10 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.532 1.643 18349 3174 1 10 . 1 1 63 63 LEU N N 63 122.385 122.385 127.004 -4.619 18349 3175 1 10 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.101 -0.278 18349 3176 1 10 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.768 -0.950 18349 3177 1 10 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.273 -0.298 18349 3178 1 10 . 1 1 64 64 GLN N N 64 121.981 121.981 118.428 3.553 18349 3179 1 10 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.034 -0.024 18349 3180 1 10 . 1 1 64 64 GLN CA C 64 59.379 59.379 58.654 0.726 18349 3181 1 10 . 1 1 64 64 GLN CB C 64 27.595 27.595 27.885 -0.290 18349 3182 1 10 . 1 1 65 65 SER N N 65 118.758 118.758 116.237 2.521 18349 3183 1 10 . 1 1 65 65 SER HA H 65 4.220 4.220 4.290 -0.070 18349 3184 1 10 . 1 1 65 65 SER CA C 65 62.205 62.205 62.060 0.145 18349 3185 1 10 . 1 1 65 65 SER CB C 65 62.355 62.355 63.054 -0.699 18349 3186 1 10 . 1 1 66 66 LEU N N 66 125.879 125.879 122.697 3.182 18349 3187 1 10 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.701 -0.520 18349 3188 1 10 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.755 1.385 18349 3189 1 10 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.470 -0.201 18349 3190 1 10 . 1 1 67 67 ARG N N 67 121.270 121.270 119.075 2.195 18349 3191 1 10 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.978 -0.367 18349 3192 1 10 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.659 0.336 18349 3193 1 10 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.976 -0.151 18349 3194 1 10 . 1 1 68 68 LYS N N 68 120.624 120.624 118.518 2.106 18349 3195 1 10 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.076 -0.125 18349 3196 1 10 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.267 0.215 18349 3197 1 10 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.286 0.007 18349 3198 1 10 . 1 1 69 69 PHE N N 69 122.104 122.104 120.073 2.031 18349 3199 1 10 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.233 0.023 18349 3200 1 10 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.708 0.507 18349 3201 1 10 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.218 0.953 18349 3202 1 10 . 1 1 70 70 ALA N N 70 121.297 121.297 120.522 0.775 18349 3203 1 10 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.915 -0.183 18349 3204 1 10 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.547 -0.092 18349 3205 1 10 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.217 0.480 18349 3206 1 10 . 1 1 71 71 SER N N 71 109.734 109.734 111.657 -1.923 18349 3207 1 10 . 1 1 71 71 SER HA H 71 3.948 3.948 4.269 -0.321 18349 3208 1 10 . 1 1 71 71 SER CA C 71 60.995 60.995 60.191 0.804 18349 3209 1 10 . 1 1 71 71 SER CB C 71 63.451 63.451 63.409 0.042 18349 3210 1 10 . 1 1 72 72 GLN N N 72 118.485 118.485 116.522 1.963 18349 3211 1 10 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.355 -0.048 18349 3212 1 10 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.754 -0.610 18349 3213 1 10 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.392 0.227 18349 3214 1 10 . 1 1 73 73 LYS N N 73 121.680 121.680 121.406 0.274 18349 3215 1 10 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.419 0.178 18349 3216 1 10 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.831 -1.612 18349 3217 1 10 . 1 1 73 73 LYS CB C 73 33.143 33.143 31.661 1.482 18349 3218 1 10 . 1 1 74 74 SER CA C 74 62.000 62.000 61.611 0.389 18349 3219 1 10 . 1 1 74 74 SER CB C 74 62.392 62.392 62.907 -0.516 18349 3220 1 10 . 1 1 75 75 SER N N 75 115.269 115.269 118.502 -3.233 18349 3221 1 10 . 1 1 75 75 SER HA H 75 4.299 4.299 4.238 0.061 18349 3222 1 10 . 1 1 75 75 SER CA C 75 59.939 59.939 61.210 -1.271 18349 3223 1 10 . 1 1 75 75 SER CB C 75 62.592 62.592 62.863 -0.271 18349 3224 1 10 . 1 1 76 76 MET N N 76 119.989 119.989 119.828 0.161 18349 3225 1 10 . 1 1 76 76 MET HA H 76 4.338 4.338 4.463 -0.125 18349 3226 1 10 . 1 1 76 76 MET CA C 76 57.159 57.159 56.796 0.363 18349 3227 1 10 . 1 1 76 76 MET CB C 76 34.819 34.819 33.159 1.660 18349 3228 1 10 . 1 1 77 77 LYS N N 77 121.432 121.432 120.202 1.230 18349 3229 1 10 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.088 -0.475 18349 3230 1 10 . 1 1 77 77 LYS CA C 77 60.133 60.133 58.482 1.651 18349 3231 1 10 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.308 -0.049 18349 3232 1 10 . 1 1 78 78 GLU N N 78 117.200 117.200 116.590 0.610 18349 3233 1 10 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.253 -0.124 18349 3234 1 10 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.720 0.810 18349 3235 1 10 . 1 1 78 78 GLU CB C 78 29.525 29.525 30.019 -0.494 18349 3236 1 10 . 1 1 79 79 LEU N N 79 119.315 119.315 119.316 -0.001 18349 3237 1 10 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.296 -0.272 18349 3238 1 10 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.735 0.347 18349 3239 1 10 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.802 0.069 18349 3240 1 10 . 1 1 80 80 LEU N N 80 114.760 114.760 119.271 -4.511 18349 3241 1 10 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.144 0.152 18349 3242 1 10 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.852 -1.978 18349 3243 1 10 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.380 1.328 18349 3244 1 10 . 1 1 81 81 LYS N N 81 120.468 120.468 117.308 3.160 18349 3245 1 10 . 1 1 81 81 LYS HA H 81 3.912 3.912 3.935 -0.023 18349 3246 1 10 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.946 0.255 18349 3247 1 10 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.585 0.824 18349 3248 1 10 . 1 1 82 82 ASP N N 82 118.031 118.031 118.941 -0.910 18349 3249 1 10 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.484 0.209 18349 3250 1 10 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.353 -1.235 18349 3251 1 10 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.593 -0.148 18349 3252 1 10 . 1 1 83 83 VAL N N 83 115.842 115.842 111.886 3.956 18349 3253 1 10 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.291 -0.099 18349 3254 1 10 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.319 -0.507 18349 3255 1 10 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.385 -0.632 18349 3256 1 10 . 1 1 84 84 LEU N N 84 123.084 123.084 124.147 -1.063 18349 3257 1 10 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.813 -0.271 18349 3258 1 10 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.113 -0.075 18349 3259 1 10 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.821 -0.681 18349 3260 1 10 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.419 -0.083 18349 3261 1 10 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.251 -0.398 18349 3262 1 10 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.319 0.859 18349 3263 1 10 . 1 1 86 86 GLN N N 86 121.533 121.533 122.495 -0.962 18349 3264 1 10 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.507 -0.363 18349 3265 1 10 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.632 1.057 18349 3266 1 10 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.516 -0.898 18349 3267 1 10 . 1 1 87 87 LYS N N 87 123.688 123.688 120.269 3.419 18349 3268 1 10 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.457 -0.211 18349 3269 1 10 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.580 -0.339 18349 3270 1 10 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.416 0.112 18349 3271 1 11 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.664 -0.413 18349 3272 1 11 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.173 1.162 18349 3273 1 11 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.663 -0.362 18349 3274 1 11 . 1 1 4 4 MET N N 4 121.761 121.761 119.513 2.248 18349 3275 1 11 . 1 1 4 4 MET HA H 4 4.422 4.422 4.719 -0.297 18349 3276 1 11 . 1 1 4 4 MET CA C 4 55.404 55.404 54.668 0.736 18349 3277 1 11 . 1 1 4 4 MET CB C 4 33.059 33.059 32.398 0.661 18349 3278 1 11 . 1 1 5 5 ASP N N 5 122.449 122.449 122.630 -0.181 18349 3279 1 11 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.678 -0.099 18349 3280 1 11 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.915 0.781 18349 3281 1 11 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.002 -0.695 18349 3282 1 11 . 1 1 6 6 GLU N N 6 121.856 121.856 123.751 -1.895 18349 3283 1 11 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.648 -0.374 18349 3284 1 11 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.782 1.125 18349 3285 1 11 . 1 1 6 6 GLU CB C 6 30.047 30.047 31.404 -1.357 18349 3286 1 11 . 1 1 7 7 GLY N N 7 110.268 110.268 111.550 -1.282 18349 3287 1 11 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.884 0.654 18349 3288 1 11 . 1 1 8 8 ALA N N 8 123.141 123.141 120.596 2.545 18349 3289 1 11 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.390 0.133 18349 3290 1 11 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.537 0.313 18349 3291 1 11 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.258 0.475 18349 3292 1 11 . 1 1 9 9 VAL N N 9 120.521 120.521 121.239 -0.718 18349 3293 1 11 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.148 0.071 18349 3294 1 11 . 1 1 9 9 VAL CA C 9 61.901 61.901 62.766 -0.864 18349 3295 1 11 . 1 1 9 9 VAL CB C 9 33.936 33.936 31.968 1.968 18349 3296 1 11 . 1 1 10 10 LEU N N 10 128.790 128.790 128.380 0.410 18349 3297 1 11 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.742 -0.083 18349 3298 1 11 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.613 -0.411 18349 3299 1 11 . 1 1 10 10 LEU CB C 10 43.815 43.815 41.777 2.038 18349 3300 1 11 . 1 1 11 11 THR HA H 11 5.349 5.349 4.498 0.851 18349 3301 1 11 . 1 1 11 11 THR CA C 11 60.386 60.386 62.240 -1.854 18349 3302 1 11 . 1 1 11 11 THR CB C 11 72.001 72.001 70.640 1.361 18349 3303 1 11 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.406 0.055 18349 3304 1 11 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.821 -0.400 18349 3305 1 11 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.616 0.817 18349 3306 1 11 . 1 1 13 13 ALA N N 13 125.942 125.942 125.277 0.665 18349 3307 1 11 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.068 0.243 18349 3308 1 11 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.344 -0.371 18349 3309 1 11 . 1 1 13 13 ALA CB C 13 20.258 20.258 17.501 2.757 18349 3310 1 11 . 1 1 14 14 ALA N N 14 125.619 125.619 122.259 3.360 18349 3311 1 11 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.254 -0.133 18349 3312 1 11 . 1 1 14 14 ALA CA C 14 54.677 54.677 51.509 3.168 18349 3313 1 11 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.146 0.220 18349 3314 1 11 . 1 1 15 15 ASP N N 15 114.584 114.584 123.683 -9.099 18349 3315 1 11 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.256 0.226 18349 3316 1 11 . 1 1 15 15 ASP CA C 15 52.858 52.858 56.526 -3.668 18349 3317 1 11 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.881 0.183 18349 3318 1 11 . 1 1 16 16 LEU N N 16 115.700 115.700 120.263 -4.563 18349 3319 1 11 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.332 -0.665 18349 3320 1 11 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.844 0.544 18349 3321 1 11 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.543 -2.282 18349 3322 1 11 . 1 1 17 17 SER N N 17 112.160 112.160 113.002 -0.842 18349 3323 1 11 . 1 1 17 17 SER HA H 17 4.389 4.389 4.233 0.156 18349 3324 1 11 . 1 1 17 17 SER CA C 17 59.732 59.732 58.638 1.094 18349 3325 1 11 . 1 1 17 17 SER CB C 17 64.092 64.092 62.513 1.579 18349 3326 1 11 . 1 1 18 18 SER N N 18 114.973 114.973 115.581 -0.608 18349 3327 1 11 . 1 1 18 18 SER HA H 18 5.024 5.024 4.221 0.803 18349 3328 1 11 . 1 1 18 18 SER CA C 18 56.996 56.996 58.945 -1.949 18349 3329 1 11 . 1 1 18 18 SER CB C 18 65.549 65.549 63.500 2.049 18349 3330 1 11 . 1 1 19 19 ALA N N 19 122.800 122.800 128.045 -5.245 18349 3331 1 11 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.322 0.671 18349 3332 1 11 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.847 -2.210 18349 3333 1 11 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.509 4.012 18349 3334 1 11 . 1 1 20 20 THR N N 20 115.578 115.578 115.795 -0.217 18349 3335 1 11 . 1 1 20 20 THR HA H 20 5.016 5.016 4.301 0.715 18349 3336 1 11 . 1 1 20 20 THR CA C 20 61.219 61.219 62.673 -1.454 18349 3337 1 11 . 1 1 20 20 THR CB C 20 71.159 71.159 69.541 1.618 18349 3338 1 11 . 1 1 21 21 LEU N N 21 126.796 126.796 125.392 1.404 18349 3339 1 11 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.230 0.491 18349 3340 1 11 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.856 -1.177 18349 3341 1 11 . 1 1 21 21 LEU CB C 21 44.900 44.900 41.304 3.596 18349 3342 1 11 . 1 1 22 22 ASP N N 22 124.700 124.700 124.747 -0.047 18349 3343 1 11 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.536 0.221 18349 3344 1 11 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.144 -0.127 18349 3345 1 11 . 1 1 22 22 ASP CB C 22 41.983 41.983 41.900 0.083 18349 3346 1 11 . 1 1 23 23 ILE N N 23 124.629 124.629 124.376 0.253 18349 3347 1 11 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.206 -0.175 18349 3348 1 11 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.857 -1.228 18349 3349 1 11 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.206 -1.145 18349 3350 1 11 . 1 1 24 24 SER N N 24 125.361 125.361 124.491 0.870 18349 3351 1 11 . 1 1 24 24 SER HA H 24 4.398 4.398 4.332 0.066 18349 3352 1 11 . 1 1 24 24 SER CA C 24 58.184 58.184 59.770 -1.586 18349 3353 1 11 . 1 1 24 24 SER CB C 24 64.557 64.557 63.589 0.968 18349 3354 1 11 . 1 1 25 25 LYS N N 25 124.630 124.630 123.826 0.804 18349 3355 1 11 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.214 -0.033 18349 3356 1 11 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.241 2.186 18349 3357 1 11 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.725 -0.683 18349 3358 1 11 . 1 1 26 26 GLN N N 26 117.379 117.379 118.918 -1.539 18349 3359 1 11 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.301 -0.235 18349 3360 1 11 . 1 1 26 26 GLN CA C 26 59.321 59.321 56.344 2.977 18349 3361 1 11 . 1 1 26 26 GLN CB C 26 28.773 28.773 29.142 -0.369 18349 3362 1 11 . 1 1 27 27 TRP N N 27 118.412 118.412 126.548 -8.136 18349 3363 1 11 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.501 0.060 18349 3364 1 11 . 1 1 27 27 TRP CA C 27 60.228 60.228 56.761 3.467 18349 3365 1 11 . 1 1 27 27 TRP CB C 27 30.121 30.121 27.947 2.175 18349 3366 1 11 . 1 1 28 28 SER N N 28 117.604 117.604 117.064 0.540 18349 3367 1 11 . 1 1 28 28 SER HA H 28 4.009 4.009 4.112 -0.103 18349 3368 1 11 . 1 1 28 28 SER CA C 28 62.130 62.130 58.575 3.555 18349 3369 1 11 . 1 1 28 28 SER CB C 28 62.273 62.273 62.546 -0.273 18349 3370 1 11 . 1 1 29 29 ASN N N 29 121.383 121.383 119.858 1.525 18349 3371 1 11 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.680 -0.085 18349 3372 1 11 . 1 1 29 29 ASN CA C 29 55.824 55.824 52.884 2.940 18349 3373 1 11 . 1 1 29 29 ASN CB C 29 38.163 38.163 39.068 -0.905 18349 3374 1 11 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.252 -7.030 18349 3375 1 11 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.583 -2.089 18349 3376 1 11 . 1 1 31 31 PHE N N 31 121.135 121.135 119.361 1.774 18349 3377 1 11 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.069 -0.552 18349 3378 1 11 . 1 1 31 31 PHE CA C 31 62.835 62.835 58.516 4.319 18349 3379 1 11 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.104 4.052 18349 3380 1 11 . 1 1 32 32 ASN N N 32 117.099 117.099 119.294 -2.195 18349 3381 1 11 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.379 -0.011 18349 3382 1 11 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.304 0.711 18349 3383 1 11 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.912 -0.073 18349 3384 1 11 . 1 1 33 33 ILE N N 33 120.541 120.541 119.478 1.063 18349 3385 1 11 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.748 0.041 18349 3386 1 11 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.950 0.570 18349 3387 1 11 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.815 1.524 18349 3388 1 11 . 1 1 34 34 LEU N N 34 121.099 121.099 119.203 1.896 18349 3389 1 11 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.734 0.124 18349 3390 1 11 . 1 1 34 34 LEU CA C 34 57.819 57.819 58.162 -0.343 18349 3391 1 11 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.159 -0.494 18349 3392 1 11 . 1 1 35 35 ARG N N 35 122.638 122.638 119.894 2.744 18349 3393 1 11 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.136 -0.280 18349 3394 1 11 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.203 -0.082 18349 3395 1 11 . 1 1 35 35 ARG CB C 35 29.849 29.849 29.810 0.039 18349 3396 1 11 . 1 1 36 36 GLU N N 36 120.533 120.533 119.748 0.785 18349 3397 1 11 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.252 -0.142 18349 3398 1 11 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.654 -0.444 18349 3399 1 11 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.304 0.425 18349 3400 1 11 . 1 1 37 37 ASN N N 37 115.321 115.321 115.064 0.257 18349 3401 1 11 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.949 -0.111 18349 3402 1 11 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.400 0.344 18349 3403 1 11 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.530 1.016 18349 3404 1 11 . 1 1 38 38 ASP N N 38 111.921 111.921 117.993 -6.072 18349 3405 1 11 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.435 0.250 18349 3406 1 11 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.666 0.845 18349 3407 1 11 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.758 -0.556 18349 3408 1 11 . 1 1 39 39 PHE N N 39 114.378 114.378 117.879 -3.501 18349 3409 1 11 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.465 0.119 18349 3410 1 11 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.040 1.378 18349 3411 1 11 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.572 -0.607 18349 3412 1 11 . 1 1 40 40 GLU N N 40 115.531 115.531 117.460 -1.929 18349 3413 1 11 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.173 -0.265 18349 3414 1 11 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.048 0.207 18349 3415 1 11 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.310 0.416 18349 3416 1 11 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.490 0.803 18349 3417 1 11 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.930 -1.031 18349 3418 1 11 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.142 1.009 18349 3419 1 11 . 1 1 42 42 LYS N N 42 118.255 118.255 121.293 -3.038 18349 3420 1 11 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.412 0.288 18349 3421 1 11 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.909 -0.433 18349 3422 1 11 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.053 3.670 18349 3423 1 11 . 1 1 43 43 PHE N N 43 122.245 122.245 116.838 5.407 18349 3424 1 11 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.389 1.056 18349 3425 1 11 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.191 -0.695 18349 3426 1 11 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.331 1.798 18349 3427 1 11 . 1 1 44 44 LEU N N 44 124.272 124.272 124.730 -0.458 18349 3428 1 11 . 1 1 44 44 LEU HA H 44 4.813 4.813 3.911 0.902 18349 3429 1 11 . 1 1 44 44 LEU CA C 44 53.210 53.210 55.872 -2.662 18349 3430 1 11 . 1 1 44 44 LEU CB C 44 44.365 44.365 40.405 3.960 18349 3431 1 11 . 1 1 45 45 CYS N N 45 120.218 120.218 124.692 -4.474 18349 3432 1 11 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.502 0.688 18349 3433 1 11 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.137 -1.256 18349 3434 1 11 . 1 1 45 45 CYS CB C 45 30.509 30.509 30.358 0.151 18349 3435 1 11 . 1 1 46 46 GLU N N 46 127.444 127.444 123.660 3.784 18349 3436 1 11 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.333 0.269 18349 3437 1 11 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.615 -0.417 18349 3438 1 11 . 1 1 46 46 GLU CB C 46 32.378 32.378 26.982 5.396 18349 3439 1 11 . 1 1 47 47 VAL N N 47 126.664 126.664 121.976 4.688 18349 3440 1 11 . 1 1 47 47 VAL HA H 47 4.732 4.732 3.877 0.855 18349 3441 1 11 . 1 1 47 47 VAL CA C 47 61.110 61.110 63.081 -1.970 18349 3442 1 11 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.363 1.101 18349 3443 1 11 . 1 1 48 48 LYS N N 48 124.434 124.434 125.190 -0.756 18349 3444 1 11 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.304 0.563 18349 3445 1 11 . 1 1 48 48 LYS CA C 48 54.152 54.152 56.220 -2.068 18349 3446 1 11 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.014 3.757 18349 3447 1 11 . 1 1 49 49 LEU N N 49 124.048 124.048 124.113 -0.065 18349 3448 1 11 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.672 0.239 18349 3449 1 11 . 1 1 49 49 LEU CA C 49 53.967 53.967 53.610 0.357 18349 3450 1 11 . 1 1 49 49 LEU CB C 49 45.981 45.981 42.388 3.593 18349 3451 1 11 . 1 1 50 50 ALA N N 50 130.149 130.149 129.083 1.066 18349 3452 1 11 . 1 1 50 50 ALA HA H 50 5.840 5.840 5.114 0.726 18349 3453 1 11 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.752 -1.477 18349 3454 1 11 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.199 4.835 18349 3455 1 11 . 1 1 51 51 PHE N N 51 115.001 115.001 121.990 -6.989 18349 3456 1 11 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.064 -0.253 18349 3457 1 11 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.238 1.497 18349 3458 1 11 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.986 -1.724 18349 3459 1 11 . 1 1 52 52 LYS N N 52 122.139 122.139 121.521 0.618 18349 3460 1 11 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.737 0.167 18349 3461 1 11 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.710 -0.340 18349 3462 1 11 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.632 0.443 18349 3463 1 11 . 1 1 53 53 CYS N N 53 125.893 125.893 127.226 -1.333 18349 3464 1 11 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.764 0.037 18349 3465 1 11 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.487 0.169 18349 3466 1 11 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.224 -0.270 18349 3467 1 11 . 1 1 54 54 ASP N N 54 131.027 131.027 127.705 3.322 18349 3468 1 11 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.416 -0.060 18349 3469 1 11 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.217 0.573 18349 3470 1 11 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.838 -0.996 18349 3471 1 11 . 1 1 55 55 GLY N N 55 104.172 104.172 105.484 -1.312 18349 3472 1 11 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.020 0.665 18349 3473 1 11 . 1 1 56 56 GLU N N 56 120.557 120.557 121.233 -0.676 18349 3474 1 11 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.532 0.107 18349 3475 1 11 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.903 -0.834 18349 3476 1 11 . 1 1 56 56 GLU CB C 56 33.498 33.498 30.906 2.592 18349 3477 1 11 . 1 1 57 57 ILE N N 57 123.029 123.029 122.707 0.322 18349 3478 1 11 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.542 -0.186 18349 3479 1 11 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.595 0.214 18349 3480 1 11 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.414 -0.538 18349 3481 1 11 . 1 1 58 58 LYS N N 58 130.275 130.275 128.262 2.013 18349 3482 1 11 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.524 -0.334 18349 3483 1 11 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.430 -1.171 18349 3484 1 11 . 1 1 58 58 LYS CB C 58 33.114 33.114 33.727 -0.613 18349 3485 1 11 . 1 1 59 59 THR N N 59 112.811 112.811 116.632 -3.821 18349 3486 1 11 . 1 1 59 59 THR HA H 59 5.100 5.100 4.728 0.372 18349 3487 1 11 . 1 1 59 59 THR CA C 59 60.409 60.409 61.325 -0.916 18349 3488 1 11 . 1 1 59 59 THR CB C 59 70.886 70.886 68.897 1.989 18349 3489 1 11 . 1 1 60 60 PHE N N 60 121.789 121.789 126.589 -4.800 18349 3490 1 11 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.883 -0.115 18349 3491 1 11 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.038 0.585 18349 3492 1 11 . 1 1 60 60 PHE CB C 60 44.138 44.138 43.063 1.075 18349 3493 1 11 . 1 1 61 61 SER N N 61 116.498 116.498 114.390 2.108 18349 3494 1 11 . 1 1 61 61 SER HA H 61 4.876 4.876 4.661 0.215 18349 3495 1 11 . 1 1 61 61 SER CA C 61 58.232 58.232 57.962 0.270 18349 3496 1 11 . 1 1 61 61 SER CB C 61 64.611 64.611 64.793 -0.182 18349 3497 1 11 . 1 1 62 62 ASP N N 62 117.813 117.813 121.869 -4.056 18349 3498 1 11 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.857 0.219 18349 3499 1 11 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.504 -0.258 18349 3500 1 11 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.304 0.871 18349 3501 1 11 . 1 1 63 63 LEU N N 63 122.385 122.385 124.955 -2.570 18349 3502 1 11 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.309 -0.486 18349 3503 1 11 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.291 -0.473 18349 3504 1 11 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.382 -0.407 18349 3505 1 11 . 1 1 64 64 GLN N N 64 121.981 121.981 119.517 2.464 18349 3506 1 11 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.085 -0.075 18349 3507 1 11 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.010 0.369 18349 3508 1 11 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.274 -0.679 18349 3509 1 11 . 1 1 65 65 SER N N 65 118.758 118.758 115.153 3.605 18349 3510 1 11 . 1 1 65 65 SER HA H 65 4.220 4.220 4.292 -0.072 18349 3511 1 11 . 1 1 65 65 SER CA C 65 62.205 62.205 61.796 0.409 18349 3512 1 11 . 1 1 65 65 SER CB C 65 62.355 62.355 62.858 -0.503 18349 3513 1 11 . 1 1 66 66 LEU N N 66 125.879 125.879 123.581 2.298 18349 3514 1 11 . 1 1 66 66 LEU HA H 66 3.181 3.181 4.122 -0.941 18349 3515 1 11 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.968 1.171 18349 3516 1 11 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.578 -0.309 18349 3517 1 11 . 1 1 67 67 ARG N N 67 121.270 121.270 119.943 1.327 18349 3518 1 11 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.883 -0.272 18349 3519 1 11 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.044 -0.049 18349 3520 1 11 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.046 -0.221 18349 3521 1 11 . 1 1 68 68 LYS N N 68 120.624 120.624 117.732 2.892 18349 3522 1 11 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.063 -0.112 18349 3523 1 11 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.392 0.090 18349 3524 1 11 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.304 -0.011 18349 3525 1 11 . 1 1 69 69 PHE N N 69 122.104 122.104 120.490 1.614 18349 3526 1 11 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.646 -0.390 18349 3527 1 11 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.484 0.731 18349 3528 1 11 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.812 0.359 18349 3529 1 11 . 1 1 70 70 ALA N N 70 121.297 121.297 121.064 0.233 18349 3530 1 11 . 1 1 70 70 ALA HA H 70 3.732 3.732 4.075 -0.343 18349 3531 1 11 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.467 -0.011 18349 3532 1 11 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.169 0.528 18349 3533 1 11 . 1 1 71 71 SER N N 71 109.734 109.734 112.512 -2.778 18349 3534 1 11 . 1 1 71 71 SER HA H 71 3.948 3.948 4.200 -0.252 18349 3535 1 11 . 1 1 71 71 SER CA C 71 60.995 60.995 60.763 0.232 18349 3536 1 11 . 1 1 71 71 SER CB C 71 63.451 63.451 63.282 0.169 18349 3537 1 11 . 1 1 72 72 GLN N N 72 118.485 118.485 118.646 -0.161 18349 3538 1 11 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.174 0.133 18349 3539 1 11 . 1 1 72 72 GLN CA C 72 55.144 55.144 57.090 -1.946 18349 3540 1 11 . 1 1 72 72 GLN CB C 72 29.619 29.619 28.905 0.714 18349 3541 1 11 . 1 1 73 73 LYS N N 73 121.680 121.680 122.402 -0.722 18349 3542 1 11 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.282 0.315 18349 3543 1 11 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.795 -1.577 18349 3544 1 11 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.060 1.083 18349 3545 1 11 . 1 1 74 74 SER CA C 74 62.000 62.000 61.062 0.938 18349 3546 1 11 . 1 1 74 74 SER CB C 74 62.392 62.392 63.057 -0.665 18349 3547 1 11 . 1 1 75 75 SER N N 75 115.269 115.269 117.617 -2.348 18349 3548 1 11 . 1 1 75 75 SER HA H 75 4.299 4.299 4.269 0.030 18349 3549 1 11 . 1 1 75 75 SER CA C 75 59.939 59.939 60.276 -0.337 18349 3550 1 11 . 1 1 75 75 SER CB C 75 62.592 62.592 63.007 -0.415 18349 3551 1 11 . 1 1 76 76 MET N N 76 119.989 119.989 122.472 -2.483 18349 3552 1 11 . 1 1 76 76 MET HA H 76 4.338 4.338 4.337 0.001 18349 3553 1 11 . 1 1 76 76 MET CA C 76 57.159 57.159 58.222 -1.063 18349 3554 1 11 . 1 1 76 76 MET CB C 76 34.819 34.819 32.174 2.645 18349 3555 1 11 . 1 1 77 77 LYS N N 77 121.432 121.432 120.096 1.336 18349 3556 1 11 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.002 -0.389 18349 3557 1 11 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.594 0.539 18349 3558 1 11 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.378 -0.119 18349 3559 1 11 . 1 1 78 78 GLU N N 78 117.200 117.200 117.182 0.018 18349 3560 1 11 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.278 -0.149 18349 3561 1 11 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.979 0.551 18349 3562 1 11 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.617 -0.092 18349 3563 1 11 . 1 1 79 79 LEU N N 79 119.315 119.315 119.557 -0.242 18349 3564 1 11 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.272 -0.248 18349 3565 1 11 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.896 0.186 18349 3566 1 11 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.790 0.081 18349 3567 1 11 . 1 1 80 80 LEU N N 80 114.760 114.760 118.315 -3.555 18349 3568 1 11 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.252 0.044 18349 3569 1 11 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.626 -1.752 18349 3570 1 11 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.567 1.141 18349 3571 1 11 . 1 1 81 81 LYS N N 81 120.468 120.468 118.371 2.097 18349 3572 1 11 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.131 -0.219 18349 3573 1 11 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.754 0.447 18349 3574 1 11 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.481 0.928 18349 3575 1 11 . 1 1 82 82 ASP N N 82 118.031 118.031 119.293 -1.262 18349 3576 1 11 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.441 0.252 18349 3577 1 11 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.885 -1.767 18349 3578 1 11 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.313 0.132 18349 3579 1 11 . 1 1 83 83 VAL N N 83 115.842 115.842 114.522 1.320 18349 3580 1 11 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.218 -0.026 18349 3581 1 11 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.111 -1.299 18349 3582 1 11 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.980 -0.227 18349 3583 1 11 . 1 1 84 84 LEU N N 84 123.084 123.084 123.505 -0.421 18349 3584 1 11 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.841 -0.299 18349 3585 1 11 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.965 0.073 18349 3586 1 11 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.461 -0.320 18349 3587 1 11 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.501 -0.165 18349 3588 1 11 . 1 1 85 85 PRO CA C 85 62.853 62.853 62.662 0.191 18349 3589 1 11 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.225 0.953 18349 3590 1 11 . 1 1 86 86 GLN N N 86 121.533 121.533 124.419 -2.886 18349 3591 1 11 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.375 -0.231 18349 3592 1 11 . 1 1 86 86 GLN CA C 86 55.689 55.689 55.774 -0.085 18349 3593 1 11 . 1 1 86 86 GLN CB C 86 29.618 29.618 27.769 1.849 18349 3594 1 11 . 1 1 87 87 LYS N N 87 123.688 123.688 123.070 0.618 18349 3595 1 11 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.332 -0.086 18349 3596 1 11 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.840 -0.599 18349 3597 1 11 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.395 0.133 18349 3598 1 12 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.608 -0.357 18349 3599 1 12 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.281 1.054 18349 3600 1 12 . 1 1 3 3 LEU CB C 3 42.301 42.301 40.835 1.466 18349 3601 1 12 . 1 1 4 4 MET N N 4 121.761 121.761 121.924 -0.163 18349 3602 1 12 . 1 1 4 4 MET HA H 4 4.422 4.422 4.358 0.064 18349 3603 1 12 . 1 1 4 4 MET CA C 4 55.404 55.404 57.181 -1.777 18349 3604 1 12 . 1 1 4 4 MET CB C 4 33.059 33.059 33.060 -0.001 18349 3605 1 12 . 1 1 5 5 ASP N N 5 122.449 122.449 118.216 4.233 18349 3606 1 12 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.831 -0.252 18349 3607 1 12 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.244 1.452 18349 3608 1 12 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.250 -0.943 18349 3609 1 12 . 1 1 6 6 GLU N N 6 121.856 121.856 120.181 1.675 18349 3610 1 12 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.499 -0.225 18349 3611 1 12 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.855 0.052 18349 3612 1 12 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.843 -0.796 18349 3613 1 12 . 1 1 7 7 GLY N N 7 110.268 110.268 110.870 -0.602 18349 3614 1 12 . 1 1 7 7 GLY CA C 7 45.538 45.538 45.605 -0.067 18349 3615 1 12 . 1 1 8 8 ALA N N 8 123.141 123.141 128.896 -5.755 18349 3616 1 12 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.581 -0.058 18349 3617 1 12 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.838 0.012 18349 3618 1 12 . 1 1 8 8 ALA CB C 8 20.732 20.732 19.683 1.049 18349 3619 1 12 . 1 1 9 9 VAL N N 9 120.521 120.521 123.216 -2.695 18349 3620 1 12 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.125 0.094 18349 3621 1 12 . 1 1 9 9 VAL CA C 9 61.901 61.901 62.100 -0.199 18349 3622 1 12 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.575 1.361 18349 3623 1 12 . 1 1 10 10 LEU N N 10 128.790 128.790 129.069 -0.279 18349 3624 1 12 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.585 0.074 18349 3625 1 12 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.464 -0.262 18349 3626 1 12 . 1 1 10 10 LEU CB C 10 43.815 43.815 41.971 1.844 18349 3627 1 12 . 1 1 11 11 THR HA H 11 5.349 5.349 4.579 0.770 18349 3628 1 12 . 1 1 11 11 THR CA C 11 60.386 60.386 62.191 -1.805 18349 3629 1 12 . 1 1 11 11 THR CB C 11 72.001 72.001 69.799 2.201 18349 3630 1 12 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.595 -0.134 18349 3631 1 12 . 1 1 12 12 LEU CA C 12 54.421 54.421 55.115 -0.694 18349 3632 1 12 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.956 -0.523 18349 3633 1 12 . 1 1 13 13 ALA N N 13 125.942 125.942 124.302 1.640 18349 3634 1 12 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.659 -0.348 18349 3635 1 12 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.598 0.375 18349 3636 1 12 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.779 0.479 18349 3637 1 12 . 1 1 14 14 ALA N N 14 125.619 125.619 127.378 -1.759 18349 3638 1 12 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.108 0.013 18349 3639 1 12 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.522 0.155 18349 3640 1 12 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.948 -0.582 18349 3641 1 12 . 1 1 15 15 ASP N N 15 114.584 114.584 116.718 -2.134 18349 3642 1 12 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.521 -0.039 18349 3643 1 12 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.107 -2.249 18349 3644 1 12 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.586 -0.522 18349 3645 1 12 . 1 1 16 16 LEU N N 16 115.700 115.700 119.686 -3.986 18349 3646 1 12 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.472 -0.805 18349 3647 1 12 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.238 1.151 18349 3648 1 12 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.138 -1.877 18349 3649 1 12 . 1 1 17 17 SER N N 17 112.160 112.160 114.374 -2.214 18349 3650 1 12 . 1 1 17 17 SER HA H 17 4.389 4.389 4.471 -0.082 18349 3651 1 12 . 1 1 17 17 SER CA C 17 59.732 59.732 58.746 0.986 18349 3652 1 12 . 1 1 17 17 SER CB C 17 64.092 64.092 64.416 -0.324 18349 3653 1 12 . 1 1 18 18 SER N N 18 114.973 114.973 120.055 -5.082 18349 3654 1 12 . 1 1 18 18 SER HA H 18 5.024 5.024 4.469 0.555 18349 3655 1 12 . 1 1 18 18 SER CA C 18 56.996 56.996 59.768 -2.772 18349 3656 1 12 . 1 1 18 18 SER CB C 18 65.549 65.549 63.252 2.297 18349 3657 1 12 . 1 1 19 19 ALA N N 19 122.800 122.800 128.143 -5.343 18349 3658 1 12 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.585 0.408 18349 3659 1 12 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.137 -1.500 18349 3660 1 12 . 1 1 19 19 ALA CB C 19 23.521 23.521 20.565 2.956 18349 3661 1 12 . 1 1 20 20 THR N N 20 115.578 115.578 115.923 -0.345 18349 3662 1 12 . 1 1 20 20 THR HA H 20 5.016 5.016 4.376 0.640 18349 3663 1 12 . 1 1 20 20 THR CA C 20 61.219 61.219 62.676 -1.457 18349 3664 1 12 . 1 1 20 20 THR CB C 20 71.159 71.159 69.417 1.742 18349 3665 1 12 . 1 1 21 21 LEU N N 21 126.796 126.796 124.560 2.236 18349 3666 1 12 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.640 0.081 18349 3667 1 12 . 1 1 21 21 LEU CA C 21 53.679 53.679 55.535 -1.856 18349 3668 1 12 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.673 2.227 18349 3669 1 12 . 1 1 22 22 ASP N N 22 124.700 124.700 119.231 5.469 18349 3670 1 12 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.851 -0.094 18349 3671 1 12 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.272 0.745 18349 3672 1 12 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.500 -1.517 18349 3673 1 12 . 1 1 23 23 ILE N N 23 124.629 124.629 122.007 2.622 18349 3674 1 12 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.413 -0.382 18349 3675 1 12 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.065 -0.436 18349 3676 1 12 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.671 -1.609 18349 3677 1 12 . 1 1 24 24 SER N N 24 125.361 125.361 125.729 -0.368 18349 3678 1 12 . 1 1 24 24 SER HA H 24 4.398 4.398 4.552 -0.154 18349 3679 1 12 . 1 1 24 24 SER CA C 24 58.184 58.184 59.380 -1.196 18349 3680 1 12 . 1 1 24 24 SER CB C 24 64.557 64.557 63.739 0.818 18349 3681 1 12 . 1 1 25 25 LYS N N 25 124.630 124.630 122.638 1.992 18349 3682 1 12 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.534 -0.353 18349 3683 1 12 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.099 2.328 18349 3684 1 12 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.962 -0.921 18349 3685 1 12 . 1 1 26 26 GLN N N 26 117.379 117.379 119.645 -2.266 18349 3686 1 12 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.591 -0.525 18349 3687 1 12 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.665 3.656 18349 3688 1 12 . 1 1 26 26 GLN CB C 26 28.773 28.773 30.179 -1.406 18349 3689 1 12 . 1 1 27 27 TRP N N 27 118.412 118.412 124.256 -5.844 18349 3690 1 12 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.873 -0.312 18349 3691 1 12 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.155 3.073 18349 3692 1 12 . 1 1 27 27 TRP CB C 27 30.121 30.121 30.299 -0.178 18349 3693 1 12 . 1 1 28 28 SER N N 28 117.604 117.604 117.162 0.442 18349 3694 1 12 . 1 1 28 28 SER HA H 28 4.009 4.009 4.350 -0.341 18349 3695 1 12 . 1 1 28 28 SER CA C 28 62.130 62.130 58.127 4.003 18349 3696 1 12 . 1 1 28 28 SER CB C 28 62.273 62.273 61.469 0.804 18349 3697 1 12 . 1 1 29 29 ASN N N 29 121.383 121.383 118.494 2.889 18349 3698 1 12 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.704 -0.109 18349 3699 1 12 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.013 2.811 18349 3700 1 12 . 1 1 29 29 ASN CB C 29 38.163 38.163 39.186 -1.023 18349 3701 1 12 . 1 1 30 30 VAL CA C 30 56.222 56.222 62.179 -5.957 18349 3702 1 12 . 1 1 30 30 VAL CB C 30 29.494 29.494 29.489 0.005 18349 3703 1 12 . 1 1 31 31 PHE N N 31 121.135 121.135 118.916 2.219 18349 3704 1 12 . 1 1 31 31 PHE HA H 31 3.517 3.517 3.914 -0.397 18349 3705 1 12 . 1 1 31 31 PHE CA C 31 62.835 62.835 58.472 4.363 18349 3706 1 12 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.357 3.799 18349 3707 1 12 . 1 1 32 32 ASN N N 32 117.099 117.099 118.772 -1.673 18349 3708 1 12 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.347 0.021 18349 3709 1 12 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.174 0.841 18349 3710 1 12 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.646 0.193 18349 3711 1 12 . 1 1 33 33 ILE N N 33 120.541 120.541 118.570 1.971 18349 3712 1 12 . 1 1 33 33 ILE HA H 33 3.789 3.789 4.020 -0.231 18349 3713 1 12 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.508 1.012 18349 3714 1 12 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.064 1.275 18349 3715 1 12 . 1 1 34 34 LEU N N 34 121.099 121.099 118.256 2.843 18349 3716 1 12 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.677 0.181 18349 3717 1 12 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.806 0.013 18349 3718 1 12 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.164 -0.499 18349 3719 1 12 . 1 1 35 35 ARG N N 35 122.638 122.638 120.054 2.584 18349 3720 1 12 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.106 -0.250 18349 3721 1 12 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.419 -0.298 18349 3722 1 12 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.148 -0.298 18349 3723 1 12 . 1 1 36 36 GLU N N 36 120.533 120.533 119.166 1.367 18349 3724 1 12 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.175 -0.065 18349 3725 1 12 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.792 -0.583 18349 3726 1 12 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.545 0.184 18349 3727 1 12 . 1 1 37 37 ASN N N 37 115.321 115.321 115.092 0.229 18349 3728 1 12 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.978 -0.140 18349 3729 1 12 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.430 0.314 18349 3730 1 12 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.307 1.239 18349 3731 1 12 . 1 1 38 38 ASP N N 38 111.921 111.921 118.912 -6.991 18349 3732 1 12 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.444 0.241 18349 3733 1 12 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.197 1.314 18349 3734 1 12 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.626 -1.424 18349 3735 1 12 . 1 1 39 39 PHE N N 39 114.378 114.378 119.400 -5.022 18349 3736 1 12 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.559 0.025 18349 3737 1 12 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.041 2.377 18349 3738 1 12 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.603 -0.638 18349 3739 1 12 . 1 1 40 40 GLU N N 40 115.531 115.531 118.942 -3.411 18349 3740 1 12 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.128 -0.220 18349 3741 1 12 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.114 0.141 18349 3742 1 12 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.514 0.212 18349 3743 1 12 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.627 0.666 18349 3744 1 12 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.618 -0.719 18349 3745 1 12 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.640 0.511 18349 3746 1 12 . 1 1 42 42 LYS N N 42 118.255 118.255 119.414 -1.159 18349 3747 1 12 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.474 0.226 18349 3748 1 12 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.389 0.087 18349 3749 1 12 . 1 1 42 42 LYS CB C 42 36.723 36.723 32.873 3.850 18349 3750 1 12 . 1 1 43 43 PHE N N 43 122.245 122.245 117.422 4.823 18349 3751 1 12 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.810 0.635 18349 3752 1 12 . 1 1 43 43 PHE CA C 43 57.496 57.496 56.376 1.120 18349 3753 1 12 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.724 1.405 18349 3754 1 12 . 1 1 44 44 LEU N N 44 124.272 124.272 122.797 1.475 18349 3755 1 12 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.777 0.036 18349 3756 1 12 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.881 -1.671 18349 3757 1 12 . 1 1 44 44 LEU CB C 44 44.365 44.365 43.494 0.871 18349 3758 1 12 . 1 1 45 45 CYS N N 45 120.218 120.218 121.364 -1.146 18349 3759 1 12 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.966 0.224 18349 3760 1 12 . 1 1 45 45 CYS CA C 45 56.881 56.881 57.769 -0.888 18349 3761 1 12 . 1 1 45 45 CYS CB C 45 30.509 30.509 29.702 0.807 18349 3762 1 12 . 1 1 46 46 GLU N N 46 127.444 127.444 120.838 6.606 18349 3763 1 12 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.592 0.010 18349 3764 1 12 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.821 -0.623 18349 3765 1 12 . 1 1 46 46 GLU CB C 46 32.378 32.378 31.140 1.238 18349 3766 1 12 . 1 1 47 47 VAL N N 47 126.664 126.664 124.024 2.640 18349 3767 1 12 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.184 0.548 18349 3768 1 12 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.281 -1.171 18349 3769 1 12 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.785 0.679 18349 3770 1 12 . 1 1 48 48 LYS N N 48 124.434 124.434 127.367 -2.933 18349 3771 1 12 . 1 1 48 48 LYS HA H 48 4.867 4.867 5.047 -0.180 18349 3772 1 12 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.389 -0.237 18349 3773 1 12 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.580 3.191 18349 3774 1 12 . 1 1 49 49 LEU N N 49 124.048 124.048 120.589 3.459 18349 3775 1 12 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.695 0.216 18349 3776 1 12 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.471 -0.504 18349 3777 1 12 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.352 5.629 18349 3778 1 12 . 1 1 50 50 ALA N N 50 130.149 130.149 126.906 3.243 18349 3779 1 12 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.550 1.290 18349 3780 1 12 . 1 1 50 50 ALA CA C 50 49.275 49.275 51.431 -2.156 18349 3781 1 12 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.271 4.763 18349 3782 1 12 . 1 1 51 51 PHE N N 51 115.001 115.001 122.217 -7.216 18349 3783 1 12 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.016 -0.205 18349 3784 1 12 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.333 1.402 18349 3785 1 12 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.331 -2.069 18349 3786 1 12 . 1 1 52 52 LYS N N 52 122.139 122.139 122.349 -0.210 18349 3787 1 12 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.739 0.165 18349 3788 1 12 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.372 -0.002 18349 3789 1 12 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.474 0.601 18349 3790 1 12 . 1 1 53 53 CYS N N 53 125.893 125.893 128.880 -2.987 18349 3791 1 12 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.669 0.132 18349 3792 1 12 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.610 0.046 18349 3793 1 12 . 1 1 53 53 CYS CB C 53 28.954 28.954 27.910 1.044 18349 3794 1 12 . 1 1 54 54 ASP N N 54 131.027 131.027 127.214 3.813 18349 3795 1 12 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.355 0.001 18349 3796 1 12 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.688 0.101 18349 3797 1 12 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.478 -0.636 18349 3798 1 12 . 1 1 55 55 GLY N N 55 104.172 104.172 103.689 0.483 18349 3799 1 12 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.856 0.829 18349 3800 1 12 . 1 1 56 56 GLU N N 56 120.557 120.557 121.916 -1.359 18349 3801 1 12 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.647 -0.008 18349 3802 1 12 . 1 1 56 56 GLU CA C 56 54.069 54.069 55.008 -0.938 18349 3803 1 12 . 1 1 56 56 GLU CB C 56 33.498 33.498 30.530 2.968 18349 3804 1 12 . 1 1 57 57 ILE N N 57 123.029 123.029 125.024 -1.995 18349 3805 1 12 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.644 -0.288 18349 3806 1 12 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.832 -0.023 18349 3807 1 12 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.005 -0.129 18349 3808 1 12 . 1 1 58 58 LYS N N 58 130.275 130.275 129.633 0.642 18349 3809 1 12 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.473 -0.283 18349 3810 1 12 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.205 -0.946 18349 3811 1 12 . 1 1 58 58 LYS CB C 58 33.114 33.114 34.479 -1.365 18349 3812 1 12 . 1 1 59 59 THR N N 59 112.811 112.811 115.627 -2.816 18349 3813 1 12 . 1 1 59 59 THR HA H 59 5.100 5.100 4.655 0.445 18349 3814 1 12 . 1 1 59 59 THR CA C 59 60.409 60.409 61.167 -0.758 18349 3815 1 12 . 1 1 59 59 THR CB C 59 70.886 70.886 68.616 2.270 18349 3816 1 12 . 1 1 60 60 PHE N N 60 121.789 121.789 126.103 -4.314 18349 3817 1 12 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.761 0.007 18349 3818 1 12 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.657 -0.034 18349 3819 1 12 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.696 1.442 18349 3820 1 12 . 1 1 61 61 SER N N 61 116.498 116.498 115.724 0.774 18349 3821 1 12 . 1 1 61 61 SER HA H 61 4.876 4.876 4.625 0.251 18349 3822 1 12 . 1 1 61 61 SER CA C 61 58.232 58.232 57.625 0.607 18349 3823 1 12 . 1 1 61 61 SER CB C 61 64.611 64.611 65.078 -0.467 18349 3824 1 12 . 1 1 62 62 ASP N N 62 117.813 117.813 122.451 -4.638 18349 3825 1 12 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.869 0.207 18349 3826 1 12 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.831 -0.585 18349 3827 1 12 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.725 1.450 18349 3828 1 12 . 1 1 63 63 LEU N N 63 122.385 122.385 123.528 -1.143 18349 3829 1 12 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.260 -0.437 18349 3830 1 12 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.234 -0.416 18349 3831 1 12 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.449 -0.474 18349 3832 1 12 . 1 1 64 64 GLN N N 64 121.981 121.981 120.494 1.487 18349 3833 1 12 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.211 -0.201 18349 3834 1 12 . 1 1 64 64 GLN CA C 64 59.379 59.379 58.850 0.529 18349 3835 1 12 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.480 -0.885 18349 3836 1 12 . 1 1 65 65 SER N N 65 118.758 118.758 115.269 3.489 18349 3837 1 12 . 1 1 65 65 SER HA H 65 4.220 4.220 4.355 -0.135 18349 3838 1 12 . 1 1 65 65 SER CA C 65 62.205 62.205 60.935 1.270 18349 3839 1 12 . 1 1 65 65 SER CB C 65 62.355 62.355 62.758 -0.403 18349 3840 1 12 . 1 1 66 66 LEU N N 66 125.879 125.879 123.900 1.979 18349 3841 1 12 . 1 1 66 66 LEU HA H 66 3.181 3.181 4.006 -0.825 18349 3842 1 12 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.280 0.859 18349 3843 1 12 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.121 0.148 18349 3844 1 12 . 1 1 67 67 ARG N N 67 121.270 121.270 119.394 1.876 18349 3845 1 12 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.929 -0.318 18349 3846 1 12 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.737 0.258 18349 3847 1 12 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.997 -0.172 18349 3848 1 12 . 1 1 68 68 LYS N N 68 120.624 120.624 118.544 2.080 18349 3849 1 12 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.069 -0.118 18349 3850 1 12 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.592 -0.110 18349 3851 1 12 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.258 0.035 18349 3852 1 12 . 1 1 69 69 PHE N N 69 122.104 122.104 119.726 2.378 18349 3853 1 12 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.338 -0.082 18349 3854 1 12 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.961 0.254 18349 3855 1 12 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.384 0.787 18349 3856 1 12 . 1 1 70 70 ALA N N 70 121.297 121.297 119.669 1.628 18349 3857 1 12 . 1 1 70 70 ALA HA H 70 3.732 3.732 4.169 -0.437 18349 3858 1 12 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.639 -0.184 18349 3859 1 12 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.060 0.637 18349 3860 1 12 . 1 1 71 71 SER N N 71 109.734 109.734 112.497 -2.763 18349 3861 1 12 . 1 1 71 71 SER HA H 71 3.948 3.948 4.297 -0.349 18349 3862 1 12 . 1 1 71 71 SER CA C 71 60.995 60.995 60.523 0.472 18349 3863 1 12 . 1 1 71 71 SER CB C 71 63.451 63.451 63.390 0.061 18349 3864 1 12 . 1 1 72 72 GLN N N 72 118.485 118.485 116.005 2.480 18349 3865 1 12 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.270 0.037 18349 3866 1 12 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.796 -0.652 18349 3867 1 12 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.006 0.613 18349 3868 1 12 . 1 1 73 73 LYS N N 73 121.680 121.680 122.674 -0.994 18349 3869 1 12 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.514 0.083 18349 3870 1 12 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.312 -1.093 18349 3871 1 12 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.927 0.216 18349 3872 1 12 . 1 1 74 74 SER CA C 74 62.000 62.000 61.462 0.538 18349 3873 1 12 . 1 1 74 74 SER CB C 74 62.392 62.392 62.893 -0.501 18349 3874 1 12 . 1 1 75 75 SER N N 75 115.269 115.269 116.978 -1.709 18349 3875 1 12 . 1 1 75 75 SER HA H 75 4.299 4.299 4.355 -0.056 18349 3876 1 12 . 1 1 75 75 SER CA C 75 59.939 59.939 61.215 -1.276 18349 3877 1 12 . 1 1 75 75 SER CB C 75 62.592 62.592 63.117 -0.525 18349 3878 1 12 . 1 1 76 76 MET N N 76 119.989 119.989 120.558 -0.569 18349 3879 1 12 . 1 1 76 76 MET HA H 76 4.338 4.338 4.476 -0.138 18349 3880 1 12 . 1 1 76 76 MET CA C 76 57.159 57.159 57.569 -0.409 18349 3881 1 12 . 1 1 76 76 MET CB C 76 34.819 34.819 32.983 1.836 18349 3882 1 12 . 1 1 77 77 LYS N N 77 121.432 121.432 120.307 1.125 18349 3883 1 12 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.066 -0.453 18349 3884 1 12 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.415 0.718 18349 3885 1 12 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.582 -0.323 18349 3886 1 12 . 1 1 78 78 GLU N N 78 117.200 117.200 114.650 2.550 18349 3887 1 12 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.374 -0.245 18349 3888 1 12 . 1 1 78 78 GLU CA C 78 57.530 57.530 55.612 1.918 18349 3889 1 12 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.447 0.078 18349 3890 1 12 . 1 1 79 79 LEU N N 79 119.315 119.315 119.200 0.115 18349 3891 1 12 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.240 -0.216 18349 3892 1 12 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.884 0.198 18349 3893 1 12 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.665 0.206 18349 3894 1 12 . 1 1 80 80 LEU N N 80 114.760 114.760 118.821 -4.061 18349 3895 1 12 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.137 0.159 18349 3896 1 12 . 1 1 80 80 LEU CA C 80 53.874 53.874 56.036 -2.162 18349 3897 1 12 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.458 1.250 18349 3898 1 12 . 1 1 81 81 LYS N N 81 120.468 120.468 118.341 2.127 18349 3899 1 12 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.066 -0.154 18349 3900 1 12 . 1 1 81 81 LYS CA C 81 59.201 59.201 59.018 0.183 18349 3901 1 12 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.539 0.870 18349 3902 1 12 . 1 1 82 82 ASP N N 82 118.031 118.031 118.528 -0.497 18349 3903 1 12 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.461 0.232 18349 3904 1 12 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.882 -1.764 18349 3905 1 12 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.346 0.099 18349 3906 1 12 . 1 1 83 83 VAL N N 83 115.842 115.842 115.273 0.569 18349 3907 1 12 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.175 0.017 18349 3908 1 12 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.501 -1.688 18349 3909 1 12 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.422 0.331 18349 3910 1 12 . 1 1 84 84 LEU N N 84 123.084 123.084 123.099 -0.015 18349 3911 1 12 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.815 -0.273 18349 3912 1 12 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.008 0.030 18349 3913 1 12 . 1 1 84 84 LEU CB C 84 42.140 42.140 41.842 0.298 18349 3914 1 12 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.378 -0.042 18349 3915 1 12 . 1 1 85 85 PRO CA C 85 62.853 62.853 62.762 0.091 18349 3916 1 12 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.625 0.553 18349 3917 1 12 . 1 1 86 86 GLN N N 86 121.533 121.533 123.637 -2.104 18349 3918 1 12 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.455 -0.311 18349 3919 1 12 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.405 1.284 18349 3920 1 12 . 1 1 86 86 GLN CB C 86 29.618 29.618 29.127 0.491 18349 3921 1 12 . 1 1 87 87 LYS N N 87 123.688 123.688 124.466 -0.778 18349 3922 1 12 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.147 0.099 18349 3923 1 12 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.901 -1.660 18349 3924 1 12 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.759 0.769 18349 3925 1 13 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.596 -0.345 18349 3926 1 13 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.519 0.816 18349 3927 1 13 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.699 -0.398 18349 3928 1 13 . 1 1 4 4 MET N N 4 121.761 121.761 118.532 3.229 18349 3929 1 13 . 1 1 4 4 MET HA H 4 4.422 4.422 4.146 0.276 18349 3930 1 13 . 1 1 4 4 MET CA C 4 55.404 55.404 55.720 -0.316 18349 3931 1 13 . 1 1 4 4 MET CB C 4 33.059 33.059 30.881 2.179 18349 3932 1 13 . 1 1 5 5 ASP N N 5 122.449 122.449 118.721 3.728 18349 3933 1 13 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.648 -0.069 18349 3934 1 13 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.213 0.483 18349 3935 1 13 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.845 -0.538 18349 3936 1 13 . 1 1 6 6 GLU N N 6 121.856 121.856 125.257 -3.401 18349 3937 1 13 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.504 -0.230 18349 3938 1 13 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.225 0.682 18349 3939 1 13 . 1 1 6 6 GLU CB C 6 30.047 30.047 31.293 -1.246 18349 3940 1 13 . 1 1 7 7 GLY N N 7 110.268 110.268 111.922 -1.654 18349 3941 1 13 . 1 1 7 7 GLY CA C 7 45.538 45.538 45.141 0.397 18349 3942 1 13 . 1 1 8 8 ALA N N 8 123.141 123.141 129.480 -6.339 18349 3943 1 13 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.529 -0.006 18349 3944 1 13 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.614 0.236 18349 3945 1 13 . 1 1 8 8 ALA CB C 8 20.732 20.732 19.174 1.558 18349 3946 1 13 . 1 1 9 9 VAL N N 9 120.521 120.521 125.322 -4.801 18349 3947 1 13 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.120 0.099 18349 3948 1 13 . 1 1 9 9 VAL CA C 9 61.901 61.901 63.191 -1.290 18349 3949 1 13 . 1 1 9 9 VAL CB C 9 33.936 33.936 30.756 3.180 18349 3950 1 13 . 1 1 10 10 LEU N N 10 128.790 128.790 127.977 0.813 18349 3951 1 13 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.870 -0.211 18349 3952 1 13 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.888 -0.686 18349 3953 1 13 . 1 1 10 10 LEU CB C 10 43.815 43.815 44.688 -0.873 18349 3954 1 13 . 1 1 11 11 THR HA H 11 5.349 5.349 4.600 0.749 18349 3955 1 13 . 1 1 11 11 THR CA C 11 60.386 60.386 61.857 -1.471 18349 3956 1 13 . 1 1 11 11 THR CB C 11 72.001 72.001 69.612 2.389 18349 3957 1 13 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.619 -0.158 18349 3958 1 13 . 1 1 12 12 LEU CA C 12 54.421 54.421 55.064 -0.643 18349 3959 1 13 . 1 1 12 12 LEU CB C 12 43.433 43.433 44.439 -1.006 18349 3960 1 13 . 1 1 13 13 ALA N N 13 125.942 125.942 127.772 -1.830 18349 3961 1 13 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.439 -0.128 18349 3962 1 13 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.681 0.292 18349 3963 1 13 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.806 0.452 18349 3964 1 13 . 1 1 14 14 ALA N N 14 125.619 125.619 127.333 -1.714 18349 3965 1 13 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.275 -0.154 18349 3966 1 13 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.264 2.413 18349 3967 1 13 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.257 0.109 18349 3968 1 13 . 1 1 15 15 ASP N N 15 114.584 114.584 123.475 -8.891 18349 3969 1 13 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.313 0.169 18349 3970 1 13 . 1 1 15 15 ASP CA C 15 52.858 52.858 56.449 -3.591 18349 3971 1 13 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.853 0.210 18349 3972 1 13 . 1 1 16 16 LEU N N 16 115.700 115.700 121.224 -5.524 18349 3973 1 13 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.074 -0.407 18349 3974 1 13 . 1 1 16 16 LEU CA C 16 56.389 56.389 57.591 -1.202 18349 3975 1 13 . 1 1 16 16 LEU CB C 16 40.261 40.261 41.785 -1.524 18349 3976 1 13 . 1 1 17 17 SER N N 17 112.160 112.160 114.200 -2.040 18349 3977 1 13 . 1 1 17 17 SER HA H 17 4.389 4.389 4.408 -0.019 18349 3978 1 13 . 1 1 17 17 SER CA C 17 59.732 59.732 60.635 -0.903 18349 3979 1 13 . 1 1 17 17 SER CB C 17 64.092 64.092 62.967 1.125 18349 3980 1 13 . 1 1 18 18 SER N N 18 114.973 114.973 117.121 -2.148 18349 3981 1 13 . 1 1 18 18 SER HA H 18 5.024 5.024 4.472 0.552 18349 3982 1 13 . 1 1 18 18 SER CA C 18 56.996 56.996 58.452 -1.456 18349 3983 1 13 . 1 1 18 18 SER CB C 18 65.549 65.549 63.221 2.328 18349 3984 1 13 . 1 1 19 19 ALA N N 19 122.800 122.800 123.329 -0.529 18349 3985 1 13 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.290 0.703 18349 3986 1 13 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.578 -1.941 18349 3987 1 13 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.368 4.153 18349 3988 1 13 . 1 1 20 20 THR N N 20 115.578 115.578 114.971 0.607 18349 3989 1 13 . 1 1 20 20 THR HA H 20 5.016 5.016 4.508 0.508 18349 3990 1 13 . 1 1 20 20 THR CA C 20 61.219 61.219 61.709 -0.489 18349 3991 1 13 . 1 1 20 20 THR CB C 20 71.159 71.159 69.757 1.402 18349 3992 1 13 . 1 1 21 21 LEU N N 21 126.796 126.796 123.208 3.588 18349 3993 1 13 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.706 0.015 18349 3994 1 13 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.030 -0.351 18349 3995 1 13 . 1 1 21 21 LEU CB C 21 44.900 44.900 43.324 1.577 18349 3996 1 13 . 1 1 22 22 ASP N N 22 124.700 124.700 121.827 2.873 18349 3997 1 13 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.805 -0.048 18349 3998 1 13 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.653 0.364 18349 3999 1 13 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.088 -1.105 18349 4000 1 13 . 1 1 23 23 ILE N N 23 124.629 124.629 123.979 0.650 18349 4001 1 13 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.327 -0.296 18349 4002 1 13 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.956 -1.327 18349 4003 1 13 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.208 -0.146 18349 4004 1 13 . 1 1 24 24 SER N N 24 125.361 125.361 122.775 2.586 18349 4005 1 13 . 1 1 24 24 SER HA H 24 4.398 4.398 4.748 -0.350 18349 4006 1 13 . 1 1 24 24 SER CA C 24 58.184 58.184 57.258 0.926 18349 4007 1 13 . 1 1 24 24 SER CB C 24 64.557 64.557 65.937 -1.380 18349 4008 1 13 . 1 1 25 25 LYS N N 25 124.630 124.630 124.656 -0.026 18349 4009 1 13 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.214 -0.033 18349 4010 1 13 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.719 2.708 18349 4011 1 13 . 1 1 25 25 LYS CB C 25 32.042 32.042 30.807 1.235 18349 4012 1 13 . 1 1 26 26 GLN N N 26 117.379 117.379 121.979 -4.600 18349 4013 1 13 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.477 -0.411 18349 4014 1 13 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.010 4.311 18349 4015 1 13 . 1 1 26 26 GLN CB C 26 28.773 28.773 29.711 -0.938 18349 4016 1 13 . 1 1 27 27 TRP N N 27 118.412 118.412 120.881 -2.469 18349 4017 1 13 . 1 1 27 27 TRP HA H 27 4.561 4.561 5.006 -0.445 18349 4018 1 13 . 1 1 27 27 TRP CA C 27 60.228 60.228 56.750 3.478 18349 4019 1 13 . 1 1 27 27 TRP CB C 27 30.121 30.121 30.247 -0.126 18349 4020 1 13 . 1 1 28 28 SER N N 28 117.604 117.604 117.154 0.450 18349 4021 1 13 . 1 1 28 28 SER HA H 28 4.009 4.009 4.570 -0.561 18349 4022 1 13 . 1 1 28 28 SER CA C 28 62.130 62.130 57.702 4.428 18349 4023 1 13 . 1 1 28 28 SER CB C 28 62.273 62.273 63.373 -1.100 18349 4024 1 13 . 1 1 29 29 ASN N N 29 121.383 121.383 120.773 0.610 18349 4025 1 13 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.376 0.219 18349 4026 1 13 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.661 2.163 18349 4027 1 13 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.762 0.401 18349 4028 1 13 . 1 1 30 30 VAL CA C 30 56.222 56.222 65.278 -9.056 18349 4029 1 13 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.590 -2.096 18349 4030 1 13 . 1 1 31 31 PHE N N 31 121.135 121.135 113.698 7.437 18349 4031 1 13 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.620 -1.103 18349 4032 1 13 . 1 1 31 31 PHE CA C 31 62.835 62.835 57.628 5.207 18349 4033 1 13 . 1 1 31 31 PHE CB C 31 40.156 40.156 37.585 2.571 18349 4034 1 13 . 1 1 32 32 ASN N N 32 117.099 117.099 120.510 -3.411 18349 4035 1 13 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.727 -0.359 18349 4036 1 13 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.410 0.605 18349 4037 1 13 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.854 -0.015 18349 4038 1 13 . 1 1 33 33 ILE N N 33 120.541 120.541 119.658 0.883 18349 4039 1 13 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.729 0.060 18349 4040 1 13 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.155 0.365 18349 4041 1 13 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.060 1.279 18349 4042 1 13 . 1 1 34 34 LEU N N 34 121.099 121.099 117.737 3.362 18349 4043 1 13 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.835 0.023 18349 4044 1 13 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.538 0.281 18349 4045 1 13 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.089 -0.424 18349 4046 1 13 . 1 1 35 35 ARG N N 35 122.638 122.638 120.377 2.261 18349 4047 1 13 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.171 -0.315 18349 4048 1 13 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.262 -0.141 18349 4049 1 13 . 1 1 35 35 ARG CB C 35 29.849 29.849 29.926 -0.077 18349 4050 1 13 . 1 1 36 36 GLU N N 36 120.533 120.533 118.034 2.499 18349 4051 1 13 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.240 -0.130 18349 4052 1 13 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.314 -0.104 18349 4053 1 13 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.587 0.142 18349 4054 1 13 . 1 1 37 37 ASN N N 37 115.321 115.321 115.727 -0.406 18349 4055 1 13 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.980 -0.142 18349 4056 1 13 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.599 0.145 18349 4057 1 13 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.159 1.387 18349 4058 1 13 . 1 1 38 38 ASP N N 38 111.921 111.921 118.459 -6.538 18349 4059 1 13 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.452 0.233 18349 4060 1 13 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.254 1.257 18349 4061 1 13 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.592 -1.390 18349 4062 1 13 . 1 1 39 39 PHE N N 39 114.378 114.378 118.506 -4.128 18349 4063 1 13 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.570 0.014 18349 4064 1 13 . 1 1 39 39 PHE CA C 39 59.418 59.418 56.872 2.546 18349 4065 1 13 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.548 -0.583 18349 4066 1 13 . 1 1 40 40 GLU N N 40 115.531 115.531 119.198 -3.667 18349 4067 1 13 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.181 -0.273 18349 4068 1 13 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.771 0.484 18349 4069 1 13 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.286 -0.560 18349 4070 1 13 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.503 0.790 18349 4071 1 13 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.850 -0.951 18349 4072 1 13 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.363 0.788 18349 4073 1 13 . 1 1 42 42 LYS N N 42 118.255 118.255 120.212 -1.957 18349 4074 1 13 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.564 0.136 18349 4075 1 13 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.462 0.014 18349 4076 1 13 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.858 2.865 18349 4077 1 13 . 1 1 43 43 PHE N N 43 122.245 122.245 119.204 3.041 18349 4078 1 13 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.514 0.931 18349 4079 1 13 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.006 -0.510 18349 4080 1 13 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.536 1.593 18349 4081 1 13 . 1 1 44 44 LEU N N 44 124.272 124.272 123.851 0.421 18349 4082 1 13 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.298 0.515 18349 4083 1 13 . 1 1 44 44 LEU CA C 44 53.210 53.210 55.768 -2.558 18349 4084 1 13 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.051 3.314 18349 4085 1 13 . 1 1 45 45 CYS N N 45 120.218 120.218 124.436 -4.218 18349 4086 1 13 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.661 0.529 18349 4087 1 13 . 1 1 45 45 CYS CA C 45 56.881 56.881 56.700 0.181 18349 4088 1 13 . 1 1 45 45 CYS CB C 45 30.509 30.509 30.809 -0.300 18349 4089 1 13 . 1 1 46 46 GLU N N 46 127.444 127.444 124.296 3.148 18349 4090 1 13 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.366 0.236 18349 4091 1 13 . 1 1 46 46 GLU CA C 46 55.198 55.198 57.354 -2.156 18349 4092 1 13 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.320 3.058 18349 4093 1 13 . 1 1 47 47 VAL N N 47 126.664 126.664 123.660 3.004 18349 4094 1 13 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.502 0.230 18349 4095 1 13 . 1 1 47 47 VAL CA C 47 61.110 61.110 60.592 0.518 18349 4096 1 13 . 1 1 47 47 VAL CB C 47 33.464 33.464 34.614 -1.150 18349 4097 1 13 . 1 1 48 48 LYS N N 48 124.434 124.434 120.279 4.155 18349 4098 1 13 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.546 0.321 18349 4099 1 13 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.959 -0.807 18349 4100 1 13 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.404 4.367 18349 4101 1 13 . 1 1 49 49 LEU N N 49 124.048 124.048 126.702 -2.654 18349 4102 1 13 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.365 0.546 18349 4103 1 13 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.179 -0.213 18349 4104 1 13 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.966 4.015 18349 4105 1 13 . 1 1 50 50 ALA N N 50 130.149 130.149 129.554 0.595 18349 4106 1 13 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.893 0.947 18349 4107 1 13 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.918 -1.643 18349 4108 1 13 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.765 4.269 18349 4109 1 13 . 1 1 51 51 PHE N N 51 115.001 115.001 121.930 -6.929 18349 4110 1 13 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.060 -0.249 18349 4111 1 13 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.410 1.325 18349 4112 1 13 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.576 -2.314 18349 4113 1 13 . 1 1 52 52 LYS N N 52 122.139 122.139 122.096 0.043 18349 4114 1 13 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.678 0.226 18349 4115 1 13 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.609 -0.239 18349 4116 1 13 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.316 0.760 18349 4117 1 13 . 1 1 53 53 CYS N N 53 125.893 125.893 128.518 -2.625 18349 4118 1 13 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.756 0.045 18349 4119 1 13 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.300 0.356 18349 4120 1 13 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.940 0.014 18349 4121 1 13 . 1 1 54 54 ASP N N 54 131.027 131.027 127.262 3.765 18349 4122 1 13 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.368 -0.012 18349 4123 1 13 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.336 0.453 18349 4124 1 13 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.735 -0.893 18349 4125 1 13 . 1 1 55 55 GLY N N 55 104.172 104.172 104.077 0.095 18349 4126 1 13 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.925 0.760 18349 4127 1 13 . 1 1 56 56 GLU N N 56 120.557 120.557 122.151 -1.594 18349 4128 1 13 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.496 0.143 18349 4129 1 13 . 1 1 56 56 GLU CA C 56 54.069 54.069 55.274 -1.205 18349 4130 1 13 . 1 1 56 56 GLU CB C 56 33.498 33.498 30.365 3.133 18349 4131 1 13 . 1 1 57 57 ILE N N 57 123.029 123.029 125.113 -2.084 18349 4132 1 13 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.456 -0.100 18349 4133 1 13 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.691 0.118 18349 4134 1 13 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.636 0.240 18349 4135 1 13 . 1 1 58 58 LYS N N 58 130.275 130.275 129.403 0.872 18349 4136 1 13 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.146 0.044 18349 4137 1 13 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.137 -0.878 18349 4138 1 13 . 1 1 58 58 LYS CB C 58 33.114 33.114 33.673 -0.559 18349 4139 1 13 . 1 1 59 59 THR N N 59 112.811 112.811 115.389 -2.578 18349 4140 1 13 . 1 1 59 59 THR HA H 59 5.100 5.100 4.586 0.514 18349 4141 1 13 . 1 1 59 59 THR CA C 59 60.409 60.409 60.849 -0.440 18349 4142 1 13 . 1 1 59 59 THR CB C 59 70.886 70.886 68.930 1.956 18349 4143 1 13 . 1 1 60 60 PHE N N 60 121.789 121.789 126.463 -4.674 18349 4144 1 13 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.775 -0.007 18349 4145 1 13 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.190 0.433 18349 4146 1 13 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.269 1.869 18349 4147 1 13 . 1 1 61 61 SER N N 61 116.498 116.498 118.308 -1.810 18349 4148 1 13 . 1 1 61 61 SER HA H 61 4.876 4.876 4.642 0.234 18349 4149 1 13 . 1 1 61 61 SER CA C 61 58.232 58.232 58.234 -0.002 18349 4150 1 13 . 1 1 61 61 SER CB C 61 64.611 64.611 63.908 0.703 18349 4151 1 13 . 1 1 62 62 ASP N N 62 117.813 117.813 119.181 -1.368 18349 4152 1 13 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.641 0.435 18349 4153 1 13 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.366 -0.120 18349 4154 1 13 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.625 1.550 18349 4155 1 13 . 1 1 63 63 LEU N N 63 122.385 122.385 120.782 1.603 18349 4156 1 13 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.350 -0.527 18349 4157 1 13 . 1 1 63 63 LEU CA C 63 56.818 56.818 56.790 0.028 18349 4158 1 13 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.229 -0.254 18349 4159 1 13 . 1 1 64 64 GLN N N 64 121.981 121.981 120.607 1.374 18349 4160 1 13 . 1 1 64 64 GLN HA H 64 4.010 4.010 3.956 0.054 18349 4161 1 13 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.514 -0.135 18349 4162 1 13 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.407 -0.812 18349 4163 1 13 . 1 1 65 65 SER N N 65 118.758 118.758 114.893 3.865 18349 4164 1 13 . 1 1 65 65 SER HA H 65 4.220 4.220 4.257 -0.037 18349 4165 1 13 . 1 1 65 65 SER CA C 65 62.205 62.205 61.365 0.840 18349 4166 1 13 . 1 1 65 65 SER CB C 65 62.355 62.355 63.155 -0.800 18349 4167 1 13 . 1 1 66 66 LEU N N 66 125.879 125.879 122.833 3.046 18349 4168 1 13 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.054 0.127 18349 4169 1 13 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.632 1.507 18349 4170 1 13 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.150 0.119 18349 4171 1 13 . 1 1 67 67 ARG N N 67 121.270 121.270 119.991 1.279 18349 4172 1 13 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.838 -0.227 18349 4173 1 13 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.864 0.131 18349 4174 1 13 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.908 -0.083 18349 4175 1 13 . 1 1 68 68 LYS N N 68 120.624 120.624 117.453 3.171 18349 4176 1 13 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.009 -0.058 18349 4177 1 13 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.233 0.248 18349 4178 1 13 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.135 0.158 18349 4179 1 13 . 1 1 69 69 PHE N N 69 122.104 122.104 118.410 3.694 18349 4180 1 13 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.435 -0.179 18349 4181 1 13 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.315 0.900 18349 4182 1 13 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.885 0.286 18349 4183 1 13 . 1 1 70 70 ALA N N 70 121.297 121.297 121.783 -0.486 18349 4184 1 13 . 1 1 70 70 ALA HA H 70 3.732 3.732 4.112 -0.380 18349 4185 1 13 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.443 0.012 18349 4186 1 13 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.338 0.359 18349 4187 1 13 . 1 1 71 71 SER N N 71 109.734 109.734 111.656 -1.922 18349 4188 1 13 . 1 1 71 71 SER HA H 71 3.948 3.948 4.304 -0.356 18349 4189 1 13 . 1 1 71 71 SER CA C 71 60.995 60.995 60.250 0.745 18349 4190 1 13 . 1 1 71 71 SER CB C 71 63.451 63.451 63.324 0.127 18349 4191 1 13 . 1 1 72 72 GLN N N 72 118.485 118.485 117.354 1.131 18349 4192 1 13 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.308 -0.001 18349 4193 1 13 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.425 -1.281 18349 4194 1 13 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.468 0.151 18349 4195 1 13 . 1 1 73 73 LYS N N 73 121.680 121.680 122.195 -0.515 18349 4196 1 13 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.438 0.159 18349 4197 1 13 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.853 -1.634 18349 4198 1 13 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.067 1.076 18349 4199 1 13 . 1 1 74 74 SER CA C 74 62.000 62.000 61.753 0.247 18349 4200 1 13 . 1 1 74 74 SER CB C 74 62.392 62.392 63.126 -0.734 18349 4201 1 13 . 1 1 75 75 SER N N 75 115.269 115.269 116.366 -1.097 18349 4202 1 13 . 1 1 75 75 SER HA H 75 4.299 4.299 4.320 -0.021 18349 4203 1 13 . 1 1 75 75 SER CA C 75 59.939 59.939 61.473 -1.534 18349 4204 1 13 . 1 1 75 75 SER CB C 75 62.592 62.592 63.124 -0.532 18349 4205 1 13 . 1 1 76 76 MET N N 76 119.989 119.989 121.119 -1.130 18349 4206 1 13 . 1 1 76 76 MET HA H 76 4.338 4.338 4.469 -0.131 18349 4207 1 13 . 1 1 76 76 MET CA C 76 57.159 57.159 57.989 -0.829 18349 4208 1 13 . 1 1 76 76 MET CB C 76 34.819 34.819 32.334 2.485 18349 4209 1 13 . 1 1 77 77 LYS N N 77 121.432 121.432 119.882 1.550 18349 4210 1 13 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.089 -0.476 18349 4211 1 13 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.083 1.050 18349 4212 1 13 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.271 -0.012 18349 4213 1 13 . 1 1 78 78 GLU N N 78 117.200 117.200 116.156 1.044 18349 4214 1 13 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.400 -0.271 18349 4215 1 13 . 1 1 78 78 GLU CA C 78 57.530 57.530 55.974 1.556 18349 4216 1 13 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.657 -0.132 18349 4217 1 13 . 1 1 79 79 LEU N N 79 119.315 119.315 118.802 0.513 18349 4218 1 13 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.362 -0.338 18349 4219 1 13 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.529 0.553 18349 4220 1 13 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.999 -0.128 18349 4221 1 13 . 1 1 80 80 LEU N N 80 114.760 114.760 117.736 -2.976 18349 4222 1 13 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.390 -0.094 18349 4223 1 13 . 1 1 80 80 LEU CA C 80 53.874 53.874 54.667 -0.793 18349 4224 1 13 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.774 0.934 18349 4225 1 13 . 1 1 81 81 LYS N N 81 120.468 120.468 119.034 1.434 18349 4226 1 13 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.177 -0.265 18349 4227 1 13 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.929 0.272 18349 4228 1 13 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.588 0.821 18349 4229 1 13 . 1 1 82 82 ASP N N 82 118.031 118.031 118.317 -0.286 18349 4230 1 13 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.461 0.232 18349 4231 1 13 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.687 -1.569 18349 4232 1 13 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.238 0.207 18349 4233 1 13 . 1 1 83 83 VAL N N 83 115.842 115.842 115.155 0.687 18349 4234 1 13 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.106 0.086 18349 4235 1 13 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.093 -1.280 18349 4236 1 13 . 1 1 83 83 VAL CB C 83 32.753 32.753 31.957 0.796 18349 4237 1 13 . 1 1 84 84 LEU N N 84 123.084 123.084 122.214 0.870 18349 4238 1 13 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.821 -0.279 18349 4239 1 13 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.719 0.319 18349 4240 1 13 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.506 -0.366 18349 4241 1 13 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.523 -0.187 18349 4242 1 13 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.054 -0.201 18349 4243 1 13 . 1 1 85 85 PRO CB C 85 32.178 32.178 29.739 2.439 18349 4244 1 13 . 1 1 86 86 GLN N N 86 121.533 121.533 120.464 1.069 18349 4245 1 13 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.483 -0.339 18349 4246 1 13 . 1 1 86 86 GLN CA C 86 55.689 55.689 55.483 0.206 18349 4247 1 13 . 1 1 86 86 GLN CB C 86 29.618 29.618 28.645 0.973 18349 4248 1 13 . 1 1 87 87 LYS N N 87 123.688 123.688 121.946 1.742 18349 4249 1 13 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.423 -0.177 18349 4250 1 13 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.281 -0.040 18349 4251 1 13 . 1 1 87 87 LYS CB C 87 33.528 33.528 34.191 -0.663 18349 4252 1 14 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.533 -0.282 18349 4253 1 14 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.122 1.213 18349 4254 1 14 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.939 -0.638 18349 4255 1 14 . 1 1 4 4 MET N N 4 121.761 121.761 121.985 -0.224 18349 4256 1 14 . 1 1 4 4 MET HA H 4 4.422 4.422 4.511 -0.089 18349 4257 1 14 . 1 1 4 4 MET CA C 4 55.404 55.404 56.339 -0.935 18349 4258 1 14 . 1 1 4 4 MET CB C 4 33.059 33.059 32.674 0.385 18349 4259 1 14 . 1 1 5 5 ASP N N 5 122.449 122.449 118.133 4.316 18349 4260 1 14 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.670 -0.091 18349 4261 1 14 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.076 0.620 18349 4262 1 14 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.372 -1.065 18349 4263 1 14 . 1 1 6 6 GLU N N 6 121.856 121.856 123.478 -1.622 18349 4264 1 14 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.447 -0.173 18349 4265 1 14 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.786 0.121 18349 4266 1 14 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.374 -0.327 18349 4267 1 14 . 1 1 7 7 GLY N N 7 110.268 110.268 109.431 0.837 18349 4268 1 14 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.924 0.614 18349 4269 1 14 . 1 1 8 8 ALA N N 8 123.141 123.141 123.635 -0.494 18349 4270 1 14 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.279 0.244 18349 4271 1 14 . 1 1 8 8 ALA CA C 8 51.850 51.850 52.199 -0.349 18349 4272 1 14 . 1 1 8 8 ALA CB C 8 20.732 20.732 17.456 3.276 18349 4273 1 14 . 1 1 9 9 VAL N N 9 120.521 120.521 123.597 -3.076 18349 4274 1 14 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.488 -0.269 18349 4275 1 14 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.898 0.003 18349 4276 1 14 . 1 1 9 9 VAL CB C 9 33.936 33.936 33.332 0.604 18349 4277 1 14 . 1 1 10 10 LEU N N 10 128.790 128.790 123.537 5.253 18349 4278 1 14 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.861 -0.202 18349 4279 1 14 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.396 -0.194 18349 4280 1 14 . 1 1 10 10 LEU CB C 10 43.815 43.815 43.427 0.388 18349 4281 1 14 . 1 1 11 11 THR HA H 11 5.349 5.349 4.412 0.937 18349 4282 1 14 . 1 1 11 11 THR CA C 11 60.386 60.386 62.278 -1.892 18349 4283 1 14 . 1 1 11 11 THR CB C 11 72.001 72.001 68.629 3.372 18349 4284 1 14 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.281 0.180 18349 4285 1 14 . 1 1 12 12 LEU CA C 12 54.421 54.421 53.746 0.675 18349 4286 1 14 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.409 1.024 18349 4287 1 14 . 1 1 13 13 ALA N N 13 125.942 125.942 129.950 -4.008 18349 4288 1 14 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.279 0.032 18349 4289 1 14 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.649 0.324 18349 4290 1 14 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.940 0.318 18349 4291 1 14 . 1 1 14 14 ALA N N 14 125.619 125.619 122.821 2.798 18349 4292 1 14 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.494 -0.373 18349 4293 1 14 . 1 1 14 14 ALA CA C 14 54.677 54.677 51.614 3.063 18349 4294 1 14 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.165 0.201 18349 4295 1 14 . 1 1 15 15 ASP N N 15 114.584 114.584 125.849 -11.265 18349 4296 1 14 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.264 0.218 18349 4297 1 14 . 1 1 15 15 ASP CA C 15 52.858 52.858 57.007 -4.149 18349 4298 1 14 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.678 0.385 18349 4299 1 14 . 1 1 16 16 LEU N N 16 115.700 115.700 121.060 -5.360 18349 4300 1 14 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.289 -0.622 18349 4301 1 14 . 1 1 16 16 LEU CA C 16 56.389 56.389 57.563 -1.174 18349 4302 1 14 . 1 1 16 16 LEU CB C 16 40.261 40.261 41.862 -1.601 18349 4303 1 14 . 1 1 17 17 SER N N 17 112.160 112.160 112.113 0.047 18349 4304 1 14 . 1 1 17 17 SER HA H 17 4.389 4.389 4.445 -0.056 18349 4305 1 14 . 1 1 17 17 SER CA C 17 59.732 59.732 58.483 1.249 18349 4306 1 14 . 1 1 17 17 SER CB C 17 64.092 64.092 62.858 1.234 18349 4307 1 14 . 1 1 18 18 SER N N 18 114.973 114.973 118.833 -3.860 18349 4308 1 14 . 1 1 18 18 SER HA H 18 5.024 5.024 4.420 0.604 18349 4309 1 14 . 1 1 18 18 SER CA C 18 56.996 56.996 58.057 -1.061 18349 4310 1 14 . 1 1 18 18 SER CB C 18 65.549 65.549 61.733 3.816 18349 4311 1 14 . 1 1 19 19 ALA N N 19 122.800 122.800 124.967 -2.167 18349 4312 1 14 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.380 0.613 18349 4313 1 14 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.260 -1.623 18349 4314 1 14 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.749 3.772 18349 4315 1 14 . 1 1 20 20 THR N N 20 115.578 115.578 114.886 0.692 18349 4316 1 14 . 1 1 20 20 THR HA H 20 5.016 5.016 5.169 -0.153 18349 4317 1 14 . 1 1 20 20 THR CA C 20 61.219 61.219 61.991 -0.772 18349 4318 1 14 . 1 1 20 20 THR CB C 20 71.159 71.159 70.555 0.605 18349 4319 1 14 . 1 1 21 21 LEU N N 21 126.796 126.796 127.578 -0.782 18349 4320 1 14 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.664 0.057 18349 4321 1 14 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.869 -1.190 18349 4322 1 14 . 1 1 21 21 LEU CB C 21 44.900 44.900 45.093 -0.193 18349 4323 1 14 . 1 1 22 22 ASP N N 22 124.700 124.700 120.628 4.072 18349 4324 1 14 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.408 0.349 18349 4325 1 14 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.879 -0.862 18349 4326 1 14 . 1 1 22 22 ASP CB C 22 41.983 41.983 41.681 0.302 18349 4327 1 14 . 1 1 23 23 ILE N N 23 124.629 124.629 120.563 4.066 18349 4328 1 14 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.406 -0.375 18349 4329 1 14 . 1 1 23 23 ILE CA C 23 59.629 59.629 59.858 -0.229 18349 4330 1 14 . 1 1 23 23 ILE CB C 23 38.062 38.062 41.090 -3.028 18349 4331 1 14 . 1 1 24 24 SER N N 24 125.361 125.361 120.390 4.971 18349 4332 1 14 . 1 1 24 24 SER HA H 24 4.398 4.398 4.510 -0.112 18349 4333 1 14 . 1 1 24 24 SER CA C 24 58.184 58.184 60.133 -1.949 18349 4334 1 14 . 1 1 24 24 SER CB C 24 64.557 64.557 63.580 0.977 18349 4335 1 14 . 1 1 25 25 LYS N N 25 124.630 124.630 118.307 6.323 18349 4336 1 14 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.309 -0.128 18349 4337 1 14 . 1 1 25 25 LYS CA C 25 58.427 58.427 57.156 1.271 18349 4338 1 14 . 1 1 25 25 LYS CB C 25 32.042 32.042 30.488 1.554 18349 4339 1 14 . 1 1 26 26 GLN N N 26 117.379 117.379 117.459 -0.080 18349 4340 1 14 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.528 -0.462 18349 4341 1 14 . 1 1 26 26 GLN CA C 26 59.321 59.321 56.280 3.041 18349 4342 1 14 . 1 1 26 26 GLN CB C 26 28.773 28.773 29.107 -0.334 18349 4343 1 14 . 1 1 27 27 TRP N N 27 118.412 118.412 121.245 -2.833 18349 4344 1 14 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.592 -0.031 18349 4345 1 14 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.374 2.854 18349 4346 1 14 . 1 1 27 27 TRP CB C 27 30.121 30.121 28.485 1.636 18349 4347 1 14 . 1 1 28 28 SER N N 28 117.604 117.604 117.989 -0.385 18349 4348 1 14 . 1 1 28 28 SER HA H 28 4.009 4.009 4.439 -0.430 18349 4349 1 14 . 1 1 28 28 SER CA C 28 62.130 62.130 59.194 2.936 18349 4350 1 14 . 1 1 28 28 SER CB C 28 62.273 62.273 64.069 -1.796 18349 4351 1 14 . 1 1 29 29 ASN N N 29 121.383 121.383 122.655 -1.272 18349 4352 1 14 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.656 -0.061 18349 4353 1 14 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.181 2.643 18349 4354 1 14 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.645 0.518 18349 4355 1 14 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.398 -7.176 18349 4356 1 14 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.668 -3.174 18349 4357 1 14 . 1 1 31 31 PHE N N 31 121.135 121.135 115.477 5.658 18349 4358 1 14 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.748 -1.231 18349 4359 1 14 . 1 1 31 31 PHE CA C 31 62.835 62.835 56.243 6.591 18349 4360 1 14 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.986 1.170 18349 4361 1 14 . 1 1 32 32 ASN N N 32 117.099 117.099 121.396 -4.297 18349 4362 1 14 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.082 0.286 18349 4363 1 14 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.051 0.964 18349 4364 1 14 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.209 0.630 18349 4365 1 14 . 1 1 33 33 ILE N N 33 120.541 120.541 118.727 1.814 18349 4366 1 14 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.733 0.056 18349 4367 1 14 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.155 0.365 18349 4368 1 14 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.030 1.309 18349 4369 1 14 . 1 1 34 34 LEU N N 34 121.099 121.099 117.620 3.479 18349 4370 1 14 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.917 -0.059 18349 4371 1 14 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.282 0.537 18349 4372 1 14 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.130 -0.465 18349 4373 1 14 . 1 1 35 35 ARG N N 35 122.638 122.638 120.232 2.406 18349 4374 1 14 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.152 -0.296 18349 4375 1 14 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.444 -0.323 18349 4376 1 14 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.144 -0.295 18349 4377 1 14 . 1 1 36 36 GLU N N 36 120.533 120.533 119.191 1.342 18349 4378 1 14 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.275 -0.165 18349 4379 1 14 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.344 -0.134 18349 4380 1 14 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.381 0.348 18349 4381 1 14 . 1 1 37 37 ASN N N 37 115.321 115.321 115.704 -0.383 18349 4382 1 14 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.952 -0.114 18349 4383 1 14 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.416 0.328 18349 4384 1 14 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.714 0.832 18349 4385 1 14 . 1 1 38 38 ASP N N 38 111.921 111.921 118.303 -6.382 18349 4386 1 14 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.432 0.253 18349 4387 1 14 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.633 0.878 18349 4388 1 14 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.541 -0.339 18349 4389 1 14 . 1 1 39 39 PHE N N 39 114.378 114.378 118.272 -3.894 18349 4390 1 14 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.511 0.073 18349 4391 1 14 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.424 1.994 18349 4392 1 14 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.657 -0.692 18349 4393 1 14 . 1 1 40 40 GLU N N 40 115.531 115.531 118.781 -3.250 18349 4394 1 14 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.186 -0.278 18349 4395 1 14 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.197 0.058 18349 4396 1 14 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.647 0.079 18349 4397 1 14 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.549 0.744 18349 4398 1 14 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.813 -0.914 18349 4399 1 14 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.494 0.657 18349 4400 1 14 . 1 1 42 42 LYS N N 42 118.255 118.255 122.829 -4.574 18349 4401 1 14 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.526 0.174 18349 4402 1 14 . 1 1 42 42 LYS CA C 42 55.476 55.476 56.175 -0.699 18349 4403 1 14 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.065 3.658 18349 4404 1 14 . 1 1 43 43 PHE N N 43 122.245 122.245 125.270 -3.025 18349 4405 1 14 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.422 1.023 18349 4406 1 14 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.022 -0.526 18349 4407 1 14 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.413 1.716 18349 4408 1 14 . 1 1 44 44 LEU N N 44 124.272 124.272 125.371 -1.099 18349 4409 1 14 . 1 1 44 44 LEU HA H 44 4.813 4.813 5.113 -0.300 18349 4410 1 14 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.050 -0.840 18349 4411 1 14 . 1 1 44 44 LEU CB C 44 44.365 44.365 44.750 -0.385 18349 4412 1 14 . 1 1 45 45 CYS N N 45 120.218 120.218 120.105 0.113 18349 4413 1 14 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.537 0.653 18349 4414 1 14 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.013 -1.132 18349 4415 1 14 . 1 1 45 45 CYS CB C 45 30.509 30.509 30.085 0.424 18349 4416 1 14 . 1 1 46 46 GLU N N 46 127.444 127.444 125.543 1.901 18349 4417 1 14 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.421 0.181 18349 4418 1 14 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.111 -0.913 18349 4419 1 14 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.044 4.335 18349 4420 1 14 . 1 1 47 47 VAL N N 47 126.664 126.664 118.050 8.614 18349 4421 1 14 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.491 0.241 18349 4422 1 14 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.471 -0.361 18349 4423 1 14 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.773 0.691 18349 4424 1 14 . 1 1 48 48 LYS N N 48 124.434 124.434 121.354 3.080 18349 4425 1 14 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.636 0.231 18349 4426 1 14 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.884 -0.732 18349 4427 1 14 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.812 2.959 18349 4428 1 14 . 1 1 49 49 LEU N N 49 124.048 124.048 123.240 0.808 18349 4429 1 14 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.434 0.477 18349 4430 1 14 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.865 -0.898 18349 4431 1 14 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.884 5.097 18349 4432 1 14 . 1 1 50 50 ALA N N 50 130.149 130.149 128.210 1.939 18349 4433 1 14 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.791 1.049 18349 4434 1 14 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.423 -1.148 18349 4435 1 14 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.961 5.073 18349 4436 1 14 . 1 1 51 51 PHE N N 51 115.001 115.001 119.891 -4.890 18349 4437 1 14 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.926 -0.115 18349 4438 1 14 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.626 1.109 18349 4439 1 14 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.544 -1.282 18349 4440 1 14 . 1 1 52 52 LYS N N 52 122.139 122.139 121.100 1.039 18349 4441 1 14 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.960 -0.056 18349 4442 1 14 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.610 -0.240 18349 4443 1 14 . 1 1 52 52 LYS CB C 52 34.075 34.075 34.618 -0.543 18349 4444 1 14 . 1 1 53 53 CYS N N 53 125.893 125.893 126.517 -0.624 18349 4445 1 14 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.841 -0.040 18349 4446 1 14 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.319 0.337 18349 4447 1 14 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.187 -0.233 18349 4448 1 14 . 1 1 54 54 ASP N N 54 131.027 131.027 126.986 4.041 18349 4449 1 14 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.388 -0.032 18349 4450 1 14 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.506 0.283 18349 4451 1 14 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.526 -0.684 18349 4452 1 14 . 1 1 55 55 GLY N N 55 104.172 104.172 105.285 -1.113 18349 4453 1 14 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.013 0.672 18349 4454 1 14 . 1 1 56 56 GLU N N 56 120.557 120.557 120.805 -0.248 18349 4455 1 14 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.509 0.130 18349 4456 1 14 . 1 1 56 56 GLU CA C 56 54.069 54.069 55.014 -0.945 18349 4457 1 14 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.014 2.484 18349 4458 1 14 . 1 1 57 57 ILE N N 57 123.029 123.029 122.006 1.023 18349 4459 1 14 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.532 -0.176 18349 4460 1 14 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.314 0.495 18349 4461 1 14 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.338 -0.462 18349 4462 1 14 . 1 1 58 58 LYS N N 58 130.275 130.275 128.615 1.660 18349 4463 1 14 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.352 -0.162 18349 4464 1 14 . 1 1 58 58 LYS CA C 58 52.259 52.259 52.928 -0.669 18349 4465 1 14 . 1 1 58 58 LYS CB C 58 33.114 33.114 33.940 -0.826 18349 4466 1 14 . 1 1 59 59 THR N N 59 112.811 112.811 113.397 -0.586 18349 4467 1 14 . 1 1 59 59 THR HA H 59 5.100 5.100 4.684 0.416 18349 4468 1 14 . 1 1 59 59 THR CA C 59 60.409 60.409 60.872 -0.463 18349 4469 1 14 . 1 1 59 59 THR CB C 59 70.886 70.886 69.004 1.882 18349 4470 1 14 . 1 1 60 60 PHE N N 60 121.789 121.789 126.636 -4.847 18349 4471 1 14 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.657 0.111 18349 4472 1 14 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.609 0.014 18349 4473 1 14 . 1 1 60 60 PHE CB C 60 44.138 44.138 40.904 3.234 18349 4474 1 14 . 1 1 61 61 SER N N 61 116.498 116.498 118.636 -2.138 18349 4475 1 14 . 1 1 61 61 SER HA H 61 4.876 4.876 4.534 0.342 18349 4476 1 14 . 1 1 61 61 SER CA C 61 58.232 58.232 58.657 -0.425 18349 4477 1 14 . 1 1 61 61 SER CB C 61 64.611 64.611 63.453 1.158 18349 4478 1 14 . 1 1 62 62 ASP N N 62 117.813 117.813 120.177 -2.364 18349 4479 1 14 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.749 0.327 18349 4480 1 14 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.039 0.207 18349 4481 1 14 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.060 1.115 18349 4482 1 14 . 1 1 63 63 LEU N N 63 122.385 122.385 121.537 0.848 18349 4483 1 14 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.238 -0.415 18349 4484 1 14 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.008 -0.189 18349 4485 1 14 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.325 -0.351 18349 4486 1 14 . 1 1 64 64 GLN N N 64 121.981 121.981 120.257 1.724 18349 4487 1 14 . 1 1 64 64 GLN HA H 64 4.010 4.010 3.989 0.021 18349 4488 1 14 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.075 0.305 18349 4489 1 14 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.276 -0.681 18349 4490 1 14 . 1 1 65 65 SER N N 65 118.758 118.758 115.669 3.089 18349 4491 1 14 . 1 1 65 65 SER HA H 65 4.220 4.220 4.316 -0.096 18349 4492 1 14 . 1 1 65 65 SER CA C 65 62.205 62.205 62.075 0.130 18349 4493 1 14 . 1 1 65 65 SER CB C 65 62.355 62.355 63.342 -0.987 18349 4494 1 14 . 1 1 66 66 LEU N N 66 125.879 125.879 123.437 2.442 18349 4495 1 14 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.290 -0.109 18349 4496 1 14 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.987 1.151 18349 4497 1 14 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.047 0.222 18349 4498 1 14 . 1 1 67 67 ARG N N 67 121.270 121.270 119.410 1.860 18349 4499 1 14 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.844 -0.233 18349 4500 1 14 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.397 -0.402 18349 4501 1 14 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.966 -0.141 18349 4502 1 14 . 1 1 68 68 LYS N N 68 120.624 120.624 118.241 2.383 18349 4503 1 14 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.069 -0.118 18349 4504 1 14 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.228 0.253 18349 4505 1 14 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.144 0.149 18349 4506 1 14 . 1 1 69 69 PHE N N 69 122.104 122.104 120.435 1.669 18349 4507 1 14 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.205 0.051 18349 4508 1 14 . 1 1 69 69 PHE CA C 69 61.215 61.215 61.042 0.173 18349 4509 1 14 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.208 0.963 18349 4510 1 14 . 1 1 70 70 ALA N N 70 121.297 121.297 120.606 0.691 18349 4511 1 14 . 1 1 70 70 ALA HA H 70 3.732 3.732 4.143 -0.411 18349 4512 1 14 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.602 -0.147 18349 4513 1 14 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.192 0.505 18349 4514 1 14 . 1 1 71 71 SER N N 71 109.734 109.734 112.922 -3.188 18349 4515 1 14 . 1 1 71 71 SER HA H 71 3.948 3.948 4.250 -0.302 18349 4516 1 14 . 1 1 71 71 SER CA C 71 60.995 60.995 60.903 0.092 18349 4517 1 14 . 1 1 71 71 SER CB C 71 63.451 63.451 63.438 0.013 18349 4518 1 14 . 1 1 72 72 GLN N N 72 118.485 118.485 116.559 1.926 18349 4519 1 14 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.370 -0.063 18349 4520 1 14 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.176 -0.032 18349 4521 1 14 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.350 0.269 18349 4522 1 14 . 1 1 73 73 LYS N N 73 121.680 121.680 122.163 -0.483 18349 4523 1 14 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.526 0.071 18349 4524 1 14 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.568 -1.349 18349 4525 1 14 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.615 0.528 18349 4526 1 14 . 1 1 74 74 SER CA C 74 62.000 62.000 60.755 1.245 18349 4527 1 14 . 1 1 74 74 SER CB C 74 62.392 62.392 63.125 -0.733 18349 4528 1 14 . 1 1 75 75 SER N N 75 115.269 115.269 114.685 0.584 18349 4529 1 14 . 1 1 75 75 SER HA H 75 4.299 4.299 4.335 -0.036 18349 4530 1 14 . 1 1 75 75 SER CA C 75 59.939 59.939 59.942 -0.003 18349 4531 1 14 . 1 1 75 75 SER CB C 75 62.592 62.592 62.968 -0.376 18349 4532 1 14 . 1 1 76 76 MET N N 76 119.989 119.989 122.028 -2.039 18349 4533 1 14 . 1 1 76 76 MET HA H 76 4.338 4.338 4.388 -0.050 18349 4534 1 14 . 1 1 76 76 MET CA C 76 57.159 57.159 57.954 -0.795 18349 4535 1 14 . 1 1 76 76 MET CB C 76 34.819 34.819 31.908 2.911 18349 4536 1 14 . 1 1 77 77 LYS N N 77 121.432 121.432 119.784 1.648 18349 4537 1 14 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.065 -0.452 18349 4538 1 14 . 1 1 77 77 LYS CA C 77 60.133 60.133 58.759 1.374 18349 4539 1 14 . 1 1 77 77 LYS CB C 77 32.259 32.259 31.927 0.332 18349 4540 1 14 . 1 1 78 78 GLU N N 78 117.200 117.200 115.091 2.109 18349 4541 1 14 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.301 -0.172 18349 4542 1 14 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.528 1.002 18349 4543 1 14 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.964 -0.439 18349 4544 1 14 . 1 1 79 79 LEU N N 79 119.315 119.315 119.226 0.089 18349 4545 1 14 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.246 -0.222 18349 4546 1 14 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.109 -0.027 18349 4547 1 14 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.858 0.013 18349 4548 1 14 . 1 1 80 80 LEU N N 80 114.760 114.760 118.329 -3.569 18349 4549 1 14 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.188 0.108 18349 4550 1 14 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.650 -1.776 18349 4551 1 14 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.301 1.407 18349 4552 1 14 . 1 1 81 81 LYS N N 81 120.468 120.468 118.116 2.352 18349 4553 1 14 . 1 1 81 81 LYS HA H 81 3.912 3.912 3.933 -0.020 18349 4554 1 14 . 1 1 81 81 LYS CA C 81 59.201 59.201 59.047 0.154 18349 4555 1 14 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.590 0.819 18349 4556 1 14 . 1 1 82 82 ASP N N 82 118.031 118.031 118.753 -0.722 18349 4557 1 14 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.505 0.188 18349 4558 1 14 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.151 -1.033 18349 4559 1 14 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.233 0.212 18349 4560 1 14 . 1 1 83 83 VAL N N 83 115.842 115.842 117.150 -1.308 18349 4561 1 14 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.131 0.061 18349 4562 1 14 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.090 -0.278 18349 4563 1 14 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.979 -0.226 18349 4564 1 14 . 1 1 84 84 LEU N N 84 123.084 123.084 123.213 -0.129 18349 4565 1 14 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.497 0.045 18349 4566 1 14 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.722 -0.684 18349 4567 1 14 . 1 1 84 84 LEU CB C 84 42.140 42.140 41.224 0.916 18349 4568 1 14 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.398 -0.062 18349 4569 1 14 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.457 -0.604 18349 4570 1 14 . 1 1 85 85 PRO CB C 85 32.178 32.178 30.570 1.607 18349 4571 1 14 . 1 1 86 86 GLN N N 86 121.533 121.533 122.255 -0.722 18349 4572 1 14 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.793 -0.649 18349 4573 1 14 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.234 1.455 18349 4574 1 14 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.834 -1.216 18349 4575 1 14 . 1 1 87 87 LYS N N 87 123.688 123.688 123.895 -0.207 18349 4576 1 14 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.244 0.002 18349 4577 1 14 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.578 -1.337 18349 4578 1 14 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.196 0.332 18349 4579 1 15 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.413 -0.162 18349 4580 1 15 . 1 1 3 3 LEU CA C 3 55.335 55.335 55.278 0.057 18349 4581 1 15 . 1 1 3 3 LEU CB C 3 42.301 42.301 40.913 1.389 18349 4582 1 15 . 1 1 4 4 MET N N 4 121.761 121.761 124.348 -2.587 18349 4583 1 15 . 1 1 4 4 MET HA H 4 4.422 4.422 4.624 -0.202 18349 4584 1 15 . 1 1 4 4 MET CA C 4 55.404 55.404 54.093 1.311 18349 4585 1 15 . 1 1 4 4 MET CB C 4 33.059 33.059 33.130 -0.071 18349 4586 1 15 . 1 1 5 5 ASP N N 5 122.449 122.449 125.864 -3.415 18349 4587 1 15 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.834 -0.255 18349 4588 1 15 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.356 0.340 18349 4589 1 15 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.154 0.153 18349 4590 1 15 . 1 1 6 6 GLU N N 6 121.856 121.856 121.846 0.010 18349 4591 1 15 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.779 -0.505 18349 4592 1 15 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.594 1.313 18349 4593 1 15 . 1 1 6 6 GLU CB C 6 30.047 30.047 31.632 -1.585 18349 4594 1 15 . 1 1 7 7 GLY N N 7 110.268 110.268 108.528 1.740 18349 4595 1 15 . 1 1 7 7 GLY CA C 7 45.538 45.538 45.236 0.302 18349 4596 1 15 . 1 1 8 8 ALA N N 8 123.141 123.141 122.784 0.357 18349 4597 1 15 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.540 -0.017 18349 4598 1 15 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.910 -0.060 18349 4599 1 15 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.351 0.381 18349 4600 1 15 . 1 1 9 9 VAL N N 9 120.521 120.521 119.562 0.959 18349 4601 1 15 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.152 0.067 18349 4602 1 15 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.478 0.423 18349 4603 1 15 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.395 1.540 18349 4604 1 15 . 1 1 10 10 LEU N N 10 128.790 128.790 124.271 4.519 18349 4605 1 15 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.231 0.428 18349 4606 1 15 . 1 1 10 10 LEU CA C 10 54.202 54.202 55.370 -1.168 18349 4607 1 15 . 1 1 10 10 LEU CB C 10 43.815 43.815 40.437 3.378 18349 4608 1 15 . 1 1 11 11 THR HA H 11 5.349 5.349 4.500 0.849 18349 4609 1 15 . 1 1 11 11 THR CA C 11 60.386 60.386 62.543 -2.157 18349 4610 1 15 . 1 1 11 11 THR CB C 11 72.001 72.001 68.784 3.217 18349 4611 1 15 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.694 -0.233 18349 4612 1 15 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.437 -0.016 18349 4613 1 15 . 1 1 12 12 LEU CB C 12 43.433 43.433 44.193 -0.760 18349 4614 1 15 . 1 1 13 13 ALA N N 13 125.942 125.942 126.639 -0.697 18349 4615 1 15 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.358 -0.047 18349 4616 1 15 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.163 -0.190 18349 4617 1 15 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.915 0.343 18349 4618 1 15 . 1 1 14 14 ALA N N 14 125.619 125.619 122.315 3.304 18349 4619 1 15 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.259 -0.138 18349 4620 1 15 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.011 0.666 18349 4621 1 15 . 1 1 14 14 ALA CB C 14 18.366 18.366 19.004 -0.638 18349 4622 1 15 . 1 1 15 15 ASP N N 15 114.584 114.584 118.177 -3.593 18349 4623 1 15 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.668 -0.186 18349 4624 1 15 . 1 1 15 15 ASP CA C 15 52.858 52.858 54.861 -2.003 18349 4625 1 15 . 1 1 15 15 ASP CB C 15 40.064 40.064 41.189 -1.125 18349 4626 1 15 . 1 1 16 16 LEU N N 16 115.700 115.700 122.516 -6.816 18349 4627 1 15 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.448 -0.781 18349 4628 1 15 . 1 1 16 16 LEU CA C 16 56.389 56.389 54.424 1.965 18349 4629 1 15 . 1 1 16 16 LEU CB C 16 40.261 40.261 40.700 -0.439 18349 4630 1 15 . 1 1 17 17 SER N N 17 112.160 112.160 117.621 -5.461 18349 4631 1 15 . 1 1 17 17 SER HA H 17 4.389 4.389 4.385 0.004 18349 4632 1 15 . 1 1 17 17 SER CA C 17 59.732 59.732 58.700 1.032 18349 4633 1 15 . 1 1 17 17 SER CB C 17 64.092 64.092 61.802 2.290 18349 4634 1 15 . 1 1 18 18 SER N N 18 114.973 114.973 118.594 -3.621 18349 4635 1 15 . 1 1 18 18 SER HA H 18 5.024 5.024 4.378 0.646 18349 4636 1 15 . 1 1 18 18 SER CA C 18 56.996 56.996 59.272 -2.276 18349 4637 1 15 . 1 1 18 18 SER CB C 18 65.549 65.549 63.727 1.822 18349 4638 1 15 . 1 1 19 19 ALA N N 19 122.800 122.800 128.031 -5.231 18349 4639 1 15 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.563 0.430 18349 4640 1 15 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.981 -1.344 18349 4641 1 15 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.569 3.952 18349 4642 1 15 . 1 1 20 20 THR N N 20 115.578 115.578 116.988 -1.410 18349 4643 1 15 . 1 1 20 20 THR HA H 20 5.016 5.016 4.315 0.701 18349 4644 1 15 . 1 1 20 20 THR CA C 20 61.219 61.219 62.023 -0.804 18349 4645 1 15 . 1 1 20 20 THR CB C 20 71.159 71.159 69.014 2.145 18349 4646 1 15 . 1 1 21 21 LEU N N 21 126.796 126.796 127.540 -0.744 18349 4647 1 15 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.416 0.305 18349 4648 1 15 . 1 1 21 21 LEU CA C 21 53.679 53.679 53.992 -0.313 18349 4649 1 15 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.432 2.468 18349 4650 1 15 . 1 1 22 22 ASP N N 22 124.700 124.700 121.090 3.610 18349 4651 1 15 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.562 0.195 18349 4652 1 15 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.450 0.567 18349 4653 1 15 . 1 1 22 22 ASP CB C 22 41.983 41.983 42.407 -0.424 18349 4654 1 15 . 1 1 23 23 ILE N N 23 124.629 124.629 123.966 0.663 18349 4655 1 15 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.067 -0.036 18349 4656 1 15 . 1 1 23 23 ILE CA C 23 59.629 59.629 62.005 -2.376 18349 4657 1 15 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.755 -0.693 18349 4658 1 15 . 1 1 24 24 SER N N 24 125.361 125.361 125.062 0.299 18349 4659 1 15 . 1 1 24 24 SER HA H 24 4.398 4.398 4.418 -0.020 18349 4660 1 15 . 1 1 24 24 SER CA C 24 58.184 58.184 57.951 0.233 18349 4661 1 15 . 1 1 24 24 SER CB C 24 64.557 64.557 63.642 0.914 18349 4662 1 15 . 1 1 25 25 LYS N N 25 124.630 124.630 123.557 1.073 18349 4663 1 15 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.592 -0.411 18349 4664 1 15 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.023 2.404 18349 4665 1 15 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.921 -0.879 18349 4666 1 15 . 1 1 26 26 GLN N N 26 117.379 117.379 120.523 -3.144 18349 4667 1 15 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.416 -0.350 18349 4668 1 15 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.637 3.684 18349 4669 1 15 . 1 1 26 26 GLN CB C 26 28.773 28.773 27.349 1.424 18349 4670 1 15 . 1 1 27 27 TRP N N 27 118.412 118.412 124.293 -5.881 18349 4671 1 15 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.726 -0.165 18349 4672 1 15 . 1 1 27 27 TRP CA C 27 60.228 60.228 58.199 2.029 18349 4673 1 15 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.651 0.470 18349 4674 1 15 . 1 1 28 28 SER N N 28 117.604 117.604 114.406 3.198 18349 4675 1 15 . 1 1 28 28 SER HA H 28 4.009 4.009 4.698 -0.689 18349 4676 1 15 . 1 1 28 28 SER CA C 28 62.130 62.130 59.369 2.761 18349 4677 1 15 . 1 1 28 28 SER CB C 28 62.273 62.273 63.203 -0.930 18349 4678 1 15 . 1 1 29 29 ASN N N 29 121.383 121.383 119.543 1.840 18349 4679 1 15 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.502 0.093 18349 4680 1 15 . 1 1 29 29 ASN CA C 29 55.824 55.824 54.636 1.188 18349 4681 1 15 . 1 1 29 29 ASN CB C 29 38.163 38.163 38.505 -0.342 18349 4682 1 15 . 1 1 30 30 VAL CA C 30 56.222 56.222 65.589 -9.367 18349 4683 1 15 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.679 -2.185 18349 4684 1 15 . 1 1 31 31 PHE N N 31 121.135 121.135 113.293 7.842 18349 4685 1 15 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.812 -1.295 18349 4686 1 15 . 1 1 31 31 PHE CA C 31 62.835 62.835 55.954 6.881 18349 4687 1 15 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.908 1.248 18349 4688 1 15 . 1 1 32 32 ASN N N 32 117.099 117.099 121.072 -3.973 18349 4689 1 15 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.174 0.194 18349 4690 1 15 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.663 0.352 18349 4691 1 15 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.318 0.521 18349 4692 1 15 . 1 1 33 33 ILE N N 33 120.541 120.541 119.075 1.466 18349 4693 1 15 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.922 -0.133 18349 4694 1 15 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.755 -0.235 18349 4695 1 15 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.699 0.640 18349 4696 1 15 . 1 1 34 34 LEU N N 34 121.099 121.099 119.309 1.790 18349 4697 1 15 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.773 0.085 18349 4698 1 15 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.970 -0.151 18349 4699 1 15 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.179 -0.514 18349 4700 1 15 . 1 1 35 35 ARG N N 35 122.638 122.638 119.335 3.303 18349 4701 1 15 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.183 -0.327 18349 4702 1 15 . 1 1 35 35 ARG CA C 35 59.121 59.121 58.937 0.184 18349 4703 1 15 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.354 -0.505 18349 4704 1 15 . 1 1 36 36 GLU N N 36 120.533 120.533 118.787 1.746 18349 4705 1 15 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.210 -0.100 18349 4706 1 15 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.788 -0.578 18349 4707 1 15 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.936 -0.207 18349 4708 1 15 . 1 1 37 37 ASN N N 37 115.321 115.321 115.355 -0.034 18349 4709 1 15 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.861 -0.023 18349 4710 1 15 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.825 -0.081 18349 4711 1 15 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.139 1.407 18349 4712 1 15 . 1 1 38 38 ASP N N 38 111.921 111.921 116.807 -4.886 18349 4713 1 15 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.492 0.193 18349 4714 1 15 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.541 0.970 18349 4715 1 15 . 1 1 38 38 ASP CB C 38 38.202 38.202 38.880 -0.678 18349 4716 1 15 . 1 1 39 39 PHE N N 39 114.378 114.378 118.541 -4.163 18349 4717 1 15 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.479 0.105 18349 4718 1 15 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.367 2.050 18349 4719 1 15 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.361 -0.396 18349 4720 1 15 . 1 1 40 40 GLU N N 40 115.531 115.531 119.627 -4.096 18349 4721 1 15 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.152 -0.244 18349 4722 1 15 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.853 0.402 18349 4723 1 15 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.283 -0.557 18349 4724 1 15 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.611 0.682 18349 4725 1 15 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.788 -0.889 18349 4726 1 15 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.643 0.508 18349 4727 1 15 . 1 1 42 42 LYS N N 42 118.255 118.255 120.030 -1.775 18349 4728 1 15 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.458 0.242 18349 4729 1 15 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.233 0.243 18349 4730 1 15 . 1 1 42 42 LYS CB C 42 36.723 36.723 32.850 3.873 18349 4731 1 15 . 1 1 43 43 PHE N N 43 122.245 122.245 117.863 4.382 18349 4732 1 15 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.553 0.892 18349 4733 1 15 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.154 0.342 18349 4734 1 15 . 1 1 43 43 PHE CB C 43 41.129 41.129 38.961 2.168 18349 4735 1 15 . 1 1 44 44 LEU N N 44 124.272 124.272 123.771 0.501 18349 4736 1 15 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.502 0.311 18349 4737 1 15 . 1 1 44 44 LEU CA C 44 53.210 53.210 53.741 -0.531 18349 4738 1 15 . 1 1 44 44 LEU CB C 44 44.365 44.365 40.158 4.207 18349 4739 1 15 . 1 1 45 45 CYS N N 45 120.218 120.218 124.713 -4.495 18349 4740 1 15 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.382 0.808 18349 4741 1 15 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.821 -1.940 18349 4742 1 15 . 1 1 45 45 CYS CB C 45 30.509 30.509 27.814 2.695 18349 4743 1 15 . 1 1 46 46 GLU N N 46 127.444 127.444 128.447 -1.003 18349 4744 1 15 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.321 0.281 18349 4745 1 15 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.309 -1.111 18349 4746 1 15 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.156 3.222 18349 4747 1 15 . 1 1 47 47 VAL N N 47 126.664 126.664 121.935 4.729 18349 4748 1 15 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.374 0.358 18349 4749 1 15 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.566 -0.455 18349 4750 1 15 . 1 1 47 47 VAL CB C 47 33.464 33.464 33.002 0.462 18349 4751 1 15 . 1 1 48 48 LYS N N 48 124.434 124.434 123.822 0.612 18349 4752 1 15 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.906 -0.039 18349 4753 1 15 . 1 1 48 48 LYS CA C 48 54.152 54.152 55.222 -1.070 18349 4754 1 15 . 1 1 48 48 LYS CB C 48 36.771 36.771 32.929 3.842 18349 4755 1 15 . 1 1 49 49 LEU N N 49 124.048 124.048 123.719 0.329 18349 4756 1 15 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.247 0.664 18349 4757 1 15 . 1 1 49 49 LEU CA C 49 53.967 53.967 55.826 -1.859 18349 4758 1 15 . 1 1 49 49 LEU CB C 49 45.981 45.981 42.610 3.371 18349 4759 1 15 . 1 1 50 50 ALA N N 50 130.149 130.149 118.643 11.506 18349 4760 1 15 . 1 1 50 50 ALA HA H 50 5.840 5.840 3.951 1.889 18349 4761 1 15 . 1 1 50 50 ALA CA C 50 49.275 49.275 52.886 -3.611 18349 4762 1 15 . 1 1 50 50 ALA CB C 50 23.034 23.034 16.714 6.320 18349 4763 1 15 . 1 1 51 51 PHE N N 51 115.001 115.001 114.718 0.283 18349 4764 1 15 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.688 0.123 18349 4765 1 15 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.732 1.003 18349 4766 1 15 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.605 -1.343 18349 4767 1 15 . 1 1 52 52 LYS N N 52 122.139 122.139 122.456 -0.317 18349 4768 1 15 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.735 0.169 18349 4769 1 15 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.472 -0.102 18349 4770 1 15 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.408 0.667 18349 4771 1 15 . 1 1 53 53 CYS N N 53 125.893 125.893 128.661 -2.768 18349 4772 1 15 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.726 0.075 18349 4773 1 15 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.636 0.020 18349 4774 1 15 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.604 0.350 18349 4775 1 15 . 1 1 54 54 ASP N N 54 131.027 131.027 127.218 3.809 18349 4776 1 15 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.375 -0.019 18349 4777 1 15 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.456 0.333 18349 4778 1 15 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.770 -0.928 18349 4779 1 15 . 1 1 55 55 GLY N N 55 104.172 104.172 103.913 0.259 18349 4780 1 15 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.918 0.767 18349 4781 1 15 . 1 1 56 56 GLU N N 56 120.557 120.557 121.437 -0.880 18349 4782 1 15 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.569 0.070 18349 4783 1 15 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.952 -0.883 18349 4784 1 15 . 1 1 56 56 GLU CB C 56 33.498 33.498 30.877 2.621 18349 4785 1 15 . 1 1 57 57 ILE N N 57 123.029 123.029 123.533 -0.504 18349 4786 1 15 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.494 -0.138 18349 4787 1 15 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.471 0.338 18349 4788 1 15 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.103 -0.227 18349 4789 1 15 . 1 1 58 58 LYS N N 58 130.275 130.275 129.688 0.587 18349 4790 1 15 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.120 0.070 18349 4791 1 15 . 1 1 58 58 LYS CA C 58 52.259 52.259 52.900 -0.641 18349 4792 1 15 . 1 1 58 58 LYS CB C 58 33.114 33.114 32.499 0.615 18349 4793 1 15 . 1 1 59 59 THR N N 59 112.811 112.811 115.732 -2.921 18349 4794 1 15 . 1 1 59 59 THR HA H 59 5.100 5.100 4.267 0.833 18349 4795 1 15 . 1 1 59 59 THR CA C 59 60.409 60.409 61.056 -0.647 18349 4796 1 15 . 1 1 59 59 THR CB C 59 70.886 70.886 68.328 2.558 18349 4797 1 15 . 1 1 60 60 PHE N N 60 121.789 121.789 125.486 -3.697 18349 4798 1 15 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.667 0.101 18349 4799 1 15 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.481 0.142 18349 4800 1 15 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.650 1.488 18349 4801 1 15 . 1 1 61 61 SER N N 61 116.498 116.498 116.689 -0.191 18349 4802 1 15 . 1 1 61 61 SER HA H 61 4.876 4.876 4.839 0.037 18349 4803 1 15 . 1 1 61 61 SER CA C 61 58.232 58.232 57.887 0.345 18349 4804 1 15 . 1 1 61 61 SER CB C 61 64.611 64.611 64.404 0.207 18349 4805 1 15 . 1 1 62 62 ASP N N 62 117.813 117.813 118.927 -1.114 18349 4806 1 15 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.223 0.853 18349 4807 1 15 . 1 1 62 62 ASP CA C 62 53.246 53.246 52.767 0.479 18349 4808 1 15 . 1 1 62 62 ASP CB C 62 44.175 44.175 41.937 2.238 18349 4809 1 15 . 1 1 63 63 LEU N N 63 122.385 122.385 119.481 2.904 18349 4810 1 15 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.429 -0.606 18349 4811 1 15 . 1 1 63 63 LEU CA C 63 56.818 56.818 56.546 0.272 18349 4812 1 15 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.877 -0.902 18349 4813 1 15 . 1 1 64 64 GLN N N 64 121.981 121.981 119.999 1.982 18349 4814 1 15 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.129 -0.119 18349 4815 1 15 . 1 1 64 64 GLN CA C 64 59.379 59.379 58.521 0.858 18349 4816 1 15 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.250 -0.655 18349 4817 1 15 . 1 1 65 65 SER N N 65 118.758 118.758 115.619 3.139 18349 4818 1 15 . 1 1 65 65 SER HA H 65 4.220 4.220 4.223 -0.003 18349 4819 1 15 . 1 1 65 65 SER CA C 65 62.205 62.205 61.606 0.599 18349 4820 1 15 . 1 1 65 65 SER CB C 65 62.355 62.355 63.088 -0.733 18349 4821 1 15 . 1 1 66 66 LEU N N 66 125.879 125.879 123.307 2.572 18349 4822 1 15 . 1 1 66 66 LEU HA H 66 3.181 3.181 2.853 0.328 18349 4823 1 15 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.587 1.552 18349 4824 1 15 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.412 -0.143 18349 4825 1 15 . 1 1 67 67 ARG N N 67 121.270 121.270 119.376 1.894 18349 4826 1 15 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.875 -0.264 18349 4827 1 15 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.624 0.371 18349 4828 1 15 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.875 -0.050 18349 4829 1 15 . 1 1 68 68 LYS N N 68 120.624 120.624 118.775 1.849 18349 4830 1 15 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.024 -0.073 18349 4831 1 15 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.325 0.157 18349 4832 1 15 . 1 1 68 68 LYS CB C 68 32.293 32.293 31.938 0.355 18349 4833 1 15 . 1 1 69 69 PHE N N 69 122.104 122.104 119.784 2.320 18349 4834 1 15 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.317 -0.061 18349 4835 1 15 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.384 0.831 18349 4836 1 15 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.059 1.113 18349 4837 1 15 . 1 1 70 70 ALA N N 70 121.297 121.297 120.110 1.187 18349 4838 1 15 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.873 -0.141 18349 4839 1 15 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.877 -0.422 18349 4840 1 15 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.066 0.631 18349 4841 1 15 . 1 1 71 71 SER N N 71 109.734 109.734 112.515 -2.781 18349 4842 1 15 . 1 1 71 71 SER HA H 71 3.948 3.948 4.124 -0.176 18349 4843 1 15 . 1 1 71 71 SER CA C 71 60.995 60.995 61.159 -0.164 18349 4844 1 15 . 1 1 71 71 SER CB C 71 63.451 63.451 63.476 -0.025 18349 4845 1 15 . 1 1 72 72 GLN N N 72 118.485 118.485 118.020 0.465 18349 4846 1 15 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.202 0.105 18349 4847 1 15 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.325 -1.181 18349 4848 1 15 . 1 1 72 72 GLN CB C 72 29.619 29.619 28.941 0.678 18349 4849 1 15 . 1 1 73 73 LYS N N 73 121.680 121.680 121.363 0.317 18349 4850 1 15 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.229 0.368 18349 4851 1 15 . 1 1 73 73 LYS CA C 73 53.219 53.219 55.322 -2.103 18349 4852 1 15 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.936 0.207 18349 4853 1 15 . 1 1 74 74 SER CA C 74 62.000 62.000 61.637 0.363 18349 4854 1 15 . 1 1 74 74 SER CB C 74 62.392 62.392 63.387 -0.995 18349 4855 1 15 . 1 1 75 75 SER N N 75 115.269 115.269 117.710 -2.441 18349 4856 1 15 . 1 1 75 75 SER HA H 75 4.299 4.299 4.256 0.043 18349 4857 1 15 . 1 1 75 75 SER CA C 75 59.939 59.939 60.401 -0.462 18349 4858 1 15 . 1 1 75 75 SER CB C 75 62.592 62.592 62.844 -0.252 18349 4859 1 15 . 1 1 76 76 MET N N 76 119.989 119.989 121.038 -1.049 18349 4860 1 15 . 1 1 76 76 MET HA H 76 4.338 4.338 4.300 0.038 18349 4861 1 15 . 1 1 76 76 MET CA C 76 57.159 57.159 58.135 -0.976 18349 4862 1 15 . 1 1 76 76 MET CB C 76 34.819 34.819 32.026 2.793 18349 4863 1 15 . 1 1 77 77 LYS N N 77 121.432 121.432 120.603 0.829 18349 4864 1 15 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.057 -0.444 18349 4865 1 15 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.311 0.822 18349 4866 1 15 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.207 0.052 18349 4867 1 15 . 1 1 78 78 GLU N N 78 117.200 117.200 117.253 -0.053 18349 4868 1 15 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.294 -0.165 18349 4869 1 15 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.919 0.611 18349 4870 1 15 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.683 -0.158 18349 4871 1 15 . 1 1 79 79 LEU N N 79 119.315 119.315 119.328 -0.013 18349 4872 1 15 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.321 -0.297 18349 4873 1 15 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.724 0.358 18349 4874 1 15 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.909 -0.038 18349 4875 1 15 . 1 1 80 80 LEU N N 80 114.760 114.760 118.780 -4.020 18349 4876 1 15 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.272 0.024 18349 4877 1 15 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.586 -1.712 18349 4878 1 15 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.536 1.172 18349 4879 1 15 . 1 1 81 81 LYS N N 81 120.468 120.468 117.584 2.884 18349 4880 1 15 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.019 -0.107 18349 4881 1 15 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.727 0.474 18349 4882 1 15 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.686 0.723 18349 4883 1 15 . 1 1 82 82 ASP N N 82 118.031 118.031 118.309 -0.278 18349 4884 1 15 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.489 0.204 18349 4885 1 15 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.840 -1.722 18349 4886 1 15 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.892 -0.448 18349 4887 1 15 . 1 1 83 83 VAL N N 83 115.842 115.842 111.436 4.406 18349 4888 1 15 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.260 -0.068 18349 4889 1 15 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.109 -0.297 18349 4890 1 15 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.071 -0.318 18349 4891 1 15 . 1 1 84 84 LEU N N 84 123.084 123.084 122.390 0.694 18349 4892 1 15 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.754 -0.212 18349 4893 1 15 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.874 0.164 18349 4894 1 15 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.521 -0.381 18349 4895 1 15 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.382 -0.046 18349 4896 1 15 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.247 -0.394 18349 4897 1 15 . 1 1 85 85 PRO CB C 85 32.178 32.178 32.017 0.161 18349 4898 1 15 . 1 1 86 86 GLN N N 86 121.533 121.533 122.920 -1.387 18349 4899 1 15 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.422 -0.278 18349 4900 1 15 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.682 1.007 18349 4901 1 15 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.309 -0.692 18349 4902 1 15 . 1 1 87 87 LYS N N 87 123.688 123.688 117.687 6.001 18349 4903 1 15 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.087 0.159 18349 4904 1 15 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.001 -0.760 18349 4905 1 15 . 1 1 87 87 LYS CB C 87 33.528 33.528 30.778 2.750 18349 4906 1 16 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.645 -0.394 18349 4907 1 16 . 1 1 3 3 LEU CA C 3 55.335 55.335 53.848 1.487 18349 4908 1 16 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.500 -0.199 18349 4909 1 16 . 1 1 4 4 MET N N 4 121.761 121.761 119.756 2.005 18349 4910 1 16 . 1 1 4 4 MET HA H 4 4.422 4.422 4.437 -0.015 18349 4911 1 16 . 1 1 4 4 MET CA C 4 55.404 55.404 54.752 0.652 18349 4912 1 16 . 1 1 4 4 MET CB C 4 33.059 33.059 29.680 3.378 18349 4913 1 16 . 1 1 5 5 ASP N N 5 122.449 122.449 125.176 -2.727 18349 4914 1 16 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.735 -0.156 18349 4915 1 16 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.251 0.445 18349 4916 1 16 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.150 -0.843 18349 4917 1 16 . 1 1 6 6 GLU N N 6 121.856 121.856 124.516 -2.660 18349 4918 1 16 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.559 -0.285 18349 4919 1 16 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.730 1.177 18349 4920 1 16 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.481 -0.434 18349 4921 1 16 . 1 1 7 7 GLY N N 7 110.268 110.268 109.142 1.126 18349 4922 1 16 . 1 1 7 7 GLY CA C 7 45.538 45.538 45.043 0.495 18349 4923 1 16 . 1 1 8 8 ALA N N 8 123.141 123.141 122.681 0.460 18349 4924 1 16 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.650 -0.127 18349 4925 1 16 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.974 -0.124 18349 4926 1 16 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.205 0.527 18349 4927 1 16 . 1 1 9 9 VAL N N 9 120.521 120.521 119.028 1.493 18349 4928 1 16 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.381 -0.162 18349 4929 1 16 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.554 0.347 18349 4930 1 16 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.235 1.701 18349 4931 1 16 . 1 1 10 10 LEU N N 10 128.790 128.790 122.156 6.634 18349 4932 1 16 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.595 0.064 18349 4933 1 16 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.839 -0.637 18349 4934 1 16 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.195 1.620 18349 4935 1 16 . 1 1 11 11 THR HA H 11 5.349 5.349 4.575 0.774 18349 4936 1 16 . 1 1 11 11 THR CA C 11 60.386 60.386 61.798 -1.412 18349 4937 1 16 . 1 1 11 11 THR CB C 11 72.001 72.001 69.710 2.291 18349 4938 1 16 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.561 -0.100 18349 4939 1 16 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.268 0.153 18349 4940 1 16 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.882 0.551 18349 4941 1 16 . 1 1 13 13 ALA N N 13 125.942 125.942 127.209 -1.267 18349 4942 1 16 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.683 -0.372 18349 4943 1 16 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.107 0.866 18349 4944 1 16 . 1 1 13 13 ALA CB C 13 20.258 20.258 22.077 -1.819 18349 4945 1 16 . 1 1 14 14 ALA N N 14 125.619 125.619 122.668 2.951 18349 4946 1 16 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.128 -0.007 18349 4947 1 16 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.463 0.214 18349 4948 1 16 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.614 -0.248 18349 4949 1 16 . 1 1 15 15 ASP N N 15 114.584 114.584 113.658 0.926 18349 4950 1 16 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.607 -0.125 18349 4951 1 16 . 1 1 15 15 ASP CA C 15 52.858 52.858 54.499 -1.641 18349 4952 1 16 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.841 -0.777 18349 4953 1 16 . 1 1 16 16 LEU N N 16 115.700 115.700 122.114 -6.414 18349 4954 1 16 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.505 -0.838 18349 4955 1 16 . 1 1 16 16 LEU CA C 16 56.389 56.389 54.802 1.587 18349 4956 1 16 . 1 1 16 16 LEU CB C 16 40.261 40.261 40.033 0.228 18349 4957 1 16 . 1 1 17 17 SER N N 17 112.160 112.160 114.069 -1.909 18349 4958 1 16 . 1 1 17 17 SER HA H 17 4.389 4.389 4.467 -0.078 18349 4959 1 16 . 1 1 17 17 SER CA C 17 59.732 59.732 58.758 0.973 18349 4960 1 16 . 1 1 17 17 SER CB C 17 64.092 64.092 63.999 0.093 18349 4961 1 16 . 1 1 18 18 SER N N 18 114.973 114.973 120.490 -5.517 18349 4962 1 16 . 1 1 18 18 SER HA H 18 5.024 5.024 4.586 0.438 18349 4963 1 16 . 1 1 18 18 SER CA C 18 56.996 56.996 57.682 -0.687 18349 4964 1 16 . 1 1 18 18 SER CB C 18 65.549 65.549 62.864 2.685 18349 4965 1 16 . 1 1 19 19 ALA N N 19 122.800 122.800 131.156 -8.356 18349 4966 1 16 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.627 0.366 18349 4967 1 16 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.468 -0.831 18349 4968 1 16 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.790 3.731 18349 4969 1 16 . 1 1 20 20 THR N N 20 115.578 115.578 113.931 1.647 18349 4970 1 16 . 1 1 20 20 THR HA H 20 5.016 5.016 4.390 0.626 18349 4971 1 16 . 1 1 20 20 THR CA C 20 61.219 61.219 61.679 -0.460 18349 4972 1 16 . 1 1 20 20 THR CB C 20 71.159 71.159 69.160 1.999 18349 4973 1 16 . 1 1 21 21 LEU N N 21 126.796 126.796 117.790 9.006 18349 4974 1 16 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.477 0.244 18349 4975 1 16 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.728 -1.049 18349 4976 1 16 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.483 2.417 18349 4977 1 16 . 1 1 22 22 ASP N N 22 124.700 124.700 118.156 6.544 18349 4978 1 16 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.656 0.101 18349 4979 1 16 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.490 0.527 18349 4980 1 16 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.074 -1.091 18349 4981 1 16 . 1 1 23 23 ILE N N 23 124.629 124.629 117.968 6.661 18349 4982 1 16 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.349 -0.318 18349 4983 1 16 . 1 1 23 23 ILE CA C 23 59.629 59.629 62.220 -2.591 18349 4984 1 16 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.131 -1.069 18349 4985 1 16 . 1 1 24 24 SER N N 24 125.361 125.361 122.863 2.498 18349 4986 1 16 . 1 1 24 24 SER HA H 24 4.398 4.398 4.948 -0.550 18349 4987 1 16 . 1 1 24 24 SER CA C 24 58.184 58.184 57.421 0.763 18349 4988 1 16 . 1 1 24 24 SER CB C 24 64.557 64.557 66.388 -1.831 18349 4989 1 16 . 1 1 25 25 LYS N N 25 124.630 124.630 120.648 3.982 18349 4990 1 16 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.610 -0.429 18349 4991 1 16 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.946 1.481 18349 4992 1 16 . 1 1 25 25 LYS CB C 25 32.042 32.042 33.841 -1.799 18349 4993 1 16 . 1 1 26 26 GLN N N 26 117.379 117.379 119.827 -2.448 18349 4994 1 16 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.385 -0.319 18349 4995 1 16 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.755 3.566 18349 4996 1 16 . 1 1 26 26 GLN CB C 26 28.773 28.773 26.897 1.876 18349 4997 1 16 . 1 1 27 27 TRP N N 27 118.412 118.412 127.172 -8.760 18349 4998 1 16 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.739 -0.178 18349 4999 1 16 . 1 1 27 27 TRP CA C 27 60.228 60.228 58.243 1.985 18349 5000 1 16 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.726 0.395 18349 5001 1 16 . 1 1 28 28 SER N N 28 117.604 117.604 114.668 2.936 18349 5002 1 16 . 1 1 28 28 SER HA H 28 4.009 4.009 4.265 -0.256 18349 5003 1 16 . 1 1 28 28 SER CA C 28 62.130 62.130 59.224 2.906 18349 5004 1 16 . 1 1 28 28 SER CB C 28 62.273 62.273 63.655 -1.382 18349 5005 1 16 . 1 1 29 29 ASN N N 29 121.383 121.383 119.637 1.746 18349 5006 1 16 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.595 -0.000 18349 5007 1 16 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.181 2.643 18349 5008 1 16 . 1 1 29 29 ASN CB C 29 38.163 38.163 36.885 1.278 18349 5009 1 16 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.504 -7.282 18349 5010 1 16 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.674 -3.180 18349 5011 1 16 . 1 1 31 31 PHE N N 31 121.135 121.135 117.388 3.747 18349 5012 1 16 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.617 -1.100 18349 5013 1 16 . 1 1 31 31 PHE CA C 31 62.835 62.835 57.367 5.468 18349 5014 1 16 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.134 2.022 18349 5015 1 16 . 1 1 32 32 ASN N N 32 117.099 117.099 120.188 -3.089 18349 5016 1 16 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.445 -0.077 18349 5017 1 16 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.573 0.442 18349 5018 1 16 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.503 0.336 18349 5019 1 16 . 1 1 33 33 ILE N N 33 120.541 120.541 119.175 1.366 18349 5020 1 16 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.791 -0.002 18349 5021 1 16 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.217 0.303 18349 5022 1 16 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.006 1.333 18349 5023 1 16 . 1 1 34 34 LEU N N 34 121.099 121.099 118.745 2.354 18349 5024 1 16 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.935 -0.077 18349 5025 1 16 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.544 0.275 18349 5026 1 16 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.151 -0.486 18349 5027 1 16 . 1 1 35 35 ARG N N 35 122.638 122.638 120.598 2.040 18349 5028 1 16 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.108 -0.252 18349 5029 1 16 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.697 -0.576 18349 5030 1 16 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.075 -0.226 18349 5031 1 16 . 1 1 36 36 GLU N N 36 120.533 120.533 119.702 0.831 18349 5032 1 16 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.175 -0.065 18349 5033 1 16 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.745 -0.535 18349 5034 1 16 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.285 0.444 18349 5035 1 16 . 1 1 37 37 ASN N N 37 115.321 115.321 115.396 -0.075 18349 5036 1 16 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.944 -0.106 18349 5037 1 16 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.313 0.430 18349 5038 1 16 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.235 1.311 18349 5039 1 16 . 1 1 38 38 ASP N N 38 111.921 111.921 118.597 -6.676 18349 5040 1 16 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.417 0.268 18349 5041 1 16 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.231 1.280 18349 5042 1 16 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.637 -1.435 18349 5043 1 16 . 1 1 39 39 PHE N N 39 114.378 114.378 118.944 -4.566 18349 5044 1 16 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.550 0.034 18349 5045 1 16 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.022 1.396 18349 5046 1 16 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.837 -0.872 18349 5047 1 16 . 1 1 40 40 GLU N N 40 115.531 115.531 119.698 -4.167 18349 5048 1 16 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.187 -0.279 18349 5049 1 16 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.865 0.390 18349 5050 1 16 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.184 -0.458 18349 5051 1 16 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.600 0.693 18349 5052 1 16 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.742 -0.843 18349 5053 1 16 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.343 0.808 18349 5054 1 16 . 1 1 42 42 LYS N N 42 118.255 118.255 123.401 -5.146 18349 5055 1 16 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.272 0.428 18349 5056 1 16 . 1 1 42 42 LYS CA C 42 55.476 55.476 57.372 -1.896 18349 5057 1 16 . 1 1 42 42 LYS CB C 42 36.723 36.723 32.891 3.832 18349 5058 1 16 . 1 1 43 43 PHE N N 43 122.245 122.245 120.129 2.116 18349 5059 1 16 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.556 0.889 18349 5060 1 16 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.036 0.460 18349 5061 1 16 . 1 1 43 43 PHE CB C 43 41.129 41.129 40.482 0.647 18349 5062 1 16 . 1 1 44 44 LEU N N 44 124.272 124.272 125.582 -1.310 18349 5063 1 16 . 1 1 44 44 LEU HA H 44 4.813 4.813 3.769 1.044 18349 5064 1 16 . 1 1 44 44 LEU CA C 44 53.210 53.210 53.142 0.068 18349 5065 1 16 . 1 1 44 44 LEU CB C 44 44.365 44.365 42.121 2.244 18349 5066 1 16 . 1 1 45 45 CYS N N 45 120.218 120.218 123.832 -3.614 18349 5067 1 16 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.379 0.811 18349 5068 1 16 . 1 1 45 45 CYS CA C 45 56.881 56.881 59.536 -2.655 18349 5069 1 16 . 1 1 45 45 CYS CB C 45 30.509 30.509 26.563 3.946 18349 5070 1 16 . 1 1 46 46 GLU N N 46 127.444 127.444 127.351 0.093 18349 5071 1 16 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.551 0.051 18349 5072 1 16 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.822 -0.624 18349 5073 1 16 . 1 1 46 46 GLU CB C 46 32.378 32.378 30.574 1.804 18349 5074 1 16 . 1 1 47 47 VAL N N 47 126.664 126.664 122.165 4.499 18349 5075 1 16 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.218 0.514 18349 5076 1 16 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.999 -0.889 18349 5077 1 16 . 1 1 47 47 VAL CB C 47 33.464 33.464 30.611 2.853 18349 5078 1 16 . 1 1 48 48 LYS N N 48 124.434 124.434 126.066 -1.632 18349 5079 1 16 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.637 0.230 18349 5080 1 16 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.257 -0.105 18349 5081 1 16 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.422 3.349 18349 5082 1 16 . 1 1 49 49 LEU N N 49 124.048 124.048 122.703 1.345 18349 5083 1 16 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.186 0.725 18349 5084 1 16 . 1 1 49 49 LEU CA C 49 53.967 53.967 56.338 -2.371 18349 5085 1 16 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.889 4.092 18349 5086 1 16 . 1 1 50 50 ALA N N 50 130.149 130.149 119.733 10.416 18349 5087 1 16 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.063 1.777 18349 5088 1 16 . 1 1 50 50 ALA CA C 50 49.275 49.275 52.803 -3.528 18349 5089 1 16 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.023 6.011 18349 5090 1 16 . 1 1 51 51 PHE N N 51 115.001 115.001 115.181 -0.180 18349 5091 1 16 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.774 0.037 18349 5092 1 16 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.791 0.944 18349 5093 1 16 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.974 -1.712 18349 5094 1 16 . 1 1 52 52 LYS N N 52 122.139 122.139 122.073 0.066 18349 5095 1 16 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.931 -0.027 18349 5096 1 16 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.732 -0.362 18349 5097 1 16 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.254 0.821 18349 5098 1 16 . 1 1 53 53 CYS N N 53 125.893 125.893 128.697 -2.804 18349 5099 1 16 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.752 0.049 18349 5100 1 16 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.339 0.317 18349 5101 1 16 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.221 0.733 18349 5102 1 16 . 1 1 54 54 ASP N N 54 131.027 131.027 126.559 4.468 18349 5103 1 16 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.385 -0.029 18349 5104 1 16 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.780 0.009 18349 5105 1 16 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.710 -0.868 18349 5106 1 16 . 1 1 55 55 GLY N N 55 104.172 104.172 105.177 -1.005 18349 5107 1 16 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.973 0.712 18349 5108 1 16 . 1 1 56 56 GLU N N 56 120.557 120.557 121.229 -0.672 18349 5109 1 16 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.599 0.040 18349 5110 1 16 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.812 -0.743 18349 5111 1 16 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.127 2.371 18349 5112 1 16 . 1 1 57 57 ILE N N 57 123.029 123.029 122.665 0.364 18349 5113 1 16 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.537 -0.181 18349 5114 1 16 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.694 0.115 18349 5115 1 16 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.091 -0.215 18349 5116 1 16 . 1 1 58 58 LYS N N 58 130.275 130.275 130.025 0.250 18349 5117 1 16 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.379 -0.189 18349 5118 1 16 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.382 -1.123 18349 5119 1 16 . 1 1 58 58 LYS CB C 58 33.114 33.114 31.971 1.143 18349 5120 1 16 . 1 1 59 59 THR N N 59 112.811 112.811 117.955 -5.144 18349 5121 1 16 . 1 1 59 59 THR HA H 59 5.100 5.100 4.432 0.668 18349 5122 1 16 . 1 1 59 59 THR CA C 59 60.409 60.409 61.924 -1.515 18349 5123 1 16 . 1 1 59 59 THR CB C 59 70.886 70.886 67.835 3.051 18349 5124 1 16 . 1 1 60 60 PHE N N 60 121.789 121.789 125.963 -4.174 18349 5125 1 16 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.824 -0.056 18349 5126 1 16 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.316 0.307 18349 5127 1 16 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.617 1.521 18349 5128 1 16 . 1 1 61 61 SER N N 61 116.498 116.498 115.932 0.566 18349 5129 1 16 . 1 1 61 61 SER HA H 61 4.876 4.876 4.611 0.265 18349 5130 1 16 . 1 1 61 61 SER CA C 61 58.232 58.232 57.905 0.327 18349 5131 1 16 . 1 1 61 61 SER CB C 61 64.611 64.611 64.759 -0.148 18349 5132 1 16 . 1 1 62 62 ASP N N 62 117.813 117.813 121.870 -4.057 18349 5133 1 16 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.754 0.322 18349 5134 1 16 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.008 0.238 18349 5135 1 16 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.010 1.165 18349 5136 1 16 . 1 1 63 63 LEU N N 63 122.385 122.385 127.308 -4.923 18349 5137 1 16 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.085 -0.262 18349 5138 1 16 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.512 -0.694 18349 5139 1 16 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.346 -0.371 18349 5140 1 16 . 1 1 64 64 GLN N N 64 121.981 121.981 119.644 2.337 18349 5141 1 16 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.124 -0.114 18349 5142 1 16 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.348 0.031 18349 5143 1 16 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.689 -1.094 18349 5144 1 16 . 1 1 65 65 SER N N 65 118.758 118.758 115.724 3.034 18349 5145 1 16 . 1 1 65 65 SER HA H 65 4.220 4.220 4.374 -0.154 18349 5146 1 16 . 1 1 65 65 SER CA C 65 62.205 62.205 62.108 0.098 18349 5147 1 16 . 1 1 65 65 SER CB C 65 62.355 62.355 63.174 -0.819 18349 5148 1 16 . 1 1 66 66 LEU N N 66 125.879 125.879 124.189 1.690 18349 5149 1 16 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.881 -0.700 18349 5150 1 16 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.320 0.819 18349 5151 1 16 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.508 -0.239 18349 5152 1 16 . 1 1 67 67 ARG N N 67 121.270 121.270 119.792 1.478 18349 5153 1 16 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.877 -0.266 18349 5154 1 16 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.161 -0.166 18349 5155 1 16 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.998 -0.173 18349 5156 1 16 . 1 1 68 68 LYS N N 68 120.624 120.624 118.724 1.900 18349 5157 1 16 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.051 -0.100 18349 5158 1 16 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.753 -0.271 18349 5159 1 16 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.263 0.030 18349 5160 1 16 . 1 1 69 69 PHE N N 69 122.104 122.104 120.699 1.405 18349 5161 1 16 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.591 -0.335 18349 5162 1 16 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.423 0.792 18349 5163 1 16 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.321 0.850 18349 5164 1 16 . 1 1 70 70 ALA N N 70 121.297 121.297 120.893 0.404 18349 5165 1 16 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.862 -0.130 18349 5166 1 16 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.478 -0.023 18349 5167 1 16 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.549 0.148 18349 5168 1 16 . 1 1 71 71 SER N N 71 109.734 109.734 111.566 -1.832 18349 5169 1 16 . 1 1 71 71 SER HA H 71 3.948 3.948 4.182 -0.234 18349 5170 1 16 . 1 1 71 71 SER CA C 71 60.995 60.995 61.411 -0.416 18349 5171 1 16 . 1 1 71 71 SER CB C 71 63.451 63.451 63.596 -0.145 18349 5172 1 16 . 1 1 72 72 GLN N N 72 118.485 118.485 117.930 0.555 18349 5173 1 16 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.249 0.058 18349 5174 1 16 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.350 -1.206 18349 5175 1 16 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.010 0.609 18349 5176 1 16 . 1 1 73 73 LYS N N 73 121.680 121.680 122.304 -0.624 18349 5177 1 16 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.363 0.234 18349 5178 1 16 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.764 -1.545 18349 5179 1 16 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.216 0.927 18349 5180 1 16 . 1 1 74 74 SER CA C 74 62.000 62.000 61.780 0.220 18349 5181 1 16 . 1 1 74 74 SER CB C 74 62.392 62.392 62.889 -0.497 18349 5182 1 16 . 1 1 75 75 SER N N 75 115.269 115.269 117.198 -1.929 18349 5183 1 16 . 1 1 75 75 SER HA H 75 4.299 4.299 4.285 0.014 18349 5184 1 16 . 1 1 75 75 SER CA C 75 59.939 59.939 61.505 -1.566 18349 5185 1 16 . 1 1 75 75 SER CB C 75 62.592 62.592 62.890 -0.298 18349 5186 1 16 . 1 1 76 76 MET N N 76 119.989 119.989 121.430 -1.441 18349 5187 1 16 . 1 1 76 76 MET HA H 76 4.338 4.338 4.317 0.021 18349 5188 1 16 . 1 1 76 76 MET CA C 76 57.159 57.159 58.060 -0.901 18349 5189 1 16 . 1 1 76 76 MET CB C 76 34.819 34.819 32.211 2.608 18349 5190 1 16 . 1 1 77 77 LYS N N 77 121.432 121.432 120.202 1.230 18349 5191 1 16 . 1 1 77 77 LYS HA H 77 3.613 3.613 3.944 -0.331 18349 5192 1 16 . 1 1 77 77 LYS CA C 77 60.133 60.133 60.097 0.036 18349 5193 1 16 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.370 -0.111 18349 5194 1 16 . 1 1 78 78 GLU N N 78 117.200 117.200 118.219 -1.019 18349 5195 1 16 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.175 -0.046 18349 5196 1 16 . 1 1 78 78 GLU CA C 78 57.530 57.530 58.259 -0.729 18349 5197 1 16 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.215 0.310 18349 5198 1 16 . 1 1 79 79 LEU N N 79 119.315 119.315 119.718 -0.403 18349 5199 1 16 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.195 -0.171 18349 5200 1 16 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.118 -0.036 18349 5201 1 16 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.168 0.703 18349 5202 1 16 . 1 1 80 80 LEU N N 80 114.760 114.760 119.236 -4.476 18349 5203 1 16 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.138 0.158 18349 5204 1 16 . 1 1 80 80 LEU CA C 80 53.874 53.874 56.828 -2.954 18349 5205 1 16 . 1 1 80 80 LEU CB C 80 41.708 41.708 41.031 0.677 18349 5206 1 16 . 1 1 81 81 LYS N N 81 120.468 120.468 117.211 3.257 18349 5207 1 16 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.319 -0.407 18349 5208 1 16 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.452 0.749 18349 5209 1 16 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.599 0.810 18349 5210 1 16 . 1 1 82 82 ASP N N 82 118.031 118.031 119.475 -1.444 18349 5211 1 16 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.473 0.220 18349 5212 1 16 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.664 -1.546 18349 5213 1 16 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.450 -0.005 18349 5214 1 16 . 1 1 83 83 VAL N N 83 115.842 115.842 112.939 2.903 18349 5215 1 16 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.323 -0.131 18349 5216 1 16 . 1 1 83 83 VAL CA C 83 61.812 61.812 61.435 0.377 18349 5217 1 16 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.617 -0.864 18349 5218 1 16 . 1 1 84 84 LEU N N 84 123.084 123.084 123.496 -0.412 18349 5219 1 16 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.944 -0.402 18349 5220 1 16 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.619 0.419 18349 5221 1 16 . 1 1 84 84 LEU CB C 84 42.140 42.140 44.716 -2.576 18349 5222 1 16 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.567 -0.231 18349 5223 1 16 . 1 1 85 85 PRO CA C 85 62.853 62.853 62.577 0.276 18349 5224 1 16 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.973 0.205 18349 5225 1 16 . 1 1 86 86 GLN N N 86 121.533 121.533 125.041 -3.508 18349 5226 1 16 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.334 -0.190 18349 5227 1 16 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.968 0.721 18349 5228 1 16 . 1 1 86 86 GLN CB C 86 29.618 29.618 27.727 1.891 18349 5229 1 16 . 1 1 87 87 LYS N N 87 123.688 123.688 123.922 -0.234 18349 5230 1 16 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.326 -0.080 18349 5231 1 16 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.767 -0.526 18349 5232 1 16 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.117 0.411 18349 5233 1 17 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.481 -0.230 18349 5234 1 17 . 1 1 3 3 LEU CA C 3 55.335 55.335 55.074 0.261 18349 5235 1 17 . 1 1 3 3 LEU CB C 3 42.301 42.301 39.950 2.350 18349 5236 1 17 . 1 1 4 4 MET N N 4 121.761 121.761 124.788 -3.027 18349 5237 1 17 . 1 1 4 4 MET HA H 4 4.422 4.422 4.549 -0.127 18349 5238 1 17 . 1 1 4 4 MET CA C 4 55.404 55.404 54.869 0.535 18349 5239 1 17 . 1 1 4 4 MET CB C 4 33.059 33.059 32.631 0.428 18349 5240 1 17 . 1 1 5 5 ASP N N 5 122.449 122.449 124.379 -1.930 18349 5241 1 17 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.792 -0.213 18349 5242 1 17 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.245 0.451 18349 5243 1 17 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.578 -1.272 18349 5244 1 17 . 1 1 6 6 GLU N N 6 121.856 121.856 125.297 -3.441 18349 5245 1 17 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.636 -0.362 18349 5246 1 17 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.938 0.969 18349 5247 1 17 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.246 -0.199 18349 5248 1 17 . 1 1 7 7 GLY N N 7 110.268 110.268 112.408 -2.140 18349 5249 1 17 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.768 0.770 18349 5250 1 17 . 1 1 8 8 ALA N N 8 123.141 123.141 122.459 0.682 18349 5251 1 17 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.421 0.102 18349 5252 1 17 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.820 0.030 18349 5253 1 17 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.512 0.220 18349 5254 1 17 . 1 1 9 9 VAL N N 9 120.521 120.521 124.671 -4.150 18349 5255 1 17 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.001 0.218 18349 5256 1 17 . 1 1 9 9 VAL CA C 9 61.901 61.901 62.475 -0.574 18349 5257 1 17 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.327 1.609 18349 5258 1 17 . 1 1 10 10 LEU N N 10 128.790 128.790 129.564 -0.774 18349 5259 1 17 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.216 0.443 18349 5260 1 17 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.633 -0.431 18349 5261 1 17 . 1 1 10 10 LEU CB C 10 43.815 43.815 41.942 1.873 18349 5262 1 17 . 1 1 11 11 THR HA H 11 5.349 5.349 4.273 1.076 18349 5263 1 17 . 1 1 11 11 THR CA C 11 60.386 60.386 62.568 -2.182 18349 5264 1 17 . 1 1 11 11 THR CB C 11 72.001 72.001 68.505 3.496 18349 5265 1 17 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.436 0.025 18349 5266 1 17 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.229 0.192 18349 5267 1 17 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.261 0.172 18349 5268 1 17 . 1 1 13 13 ALA N N 13 125.942 125.942 124.809 1.133 18349 5269 1 17 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.268 0.043 18349 5270 1 17 . 1 1 13 13 ALA CA C 13 51.973 51.973 52.513 -0.540 18349 5271 1 17 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.608 0.650 18349 5272 1 17 . 1 1 14 14 ALA N N 14 125.619 125.619 121.442 4.177 18349 5273 1 17 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.064 0.057 18349 5274 1 17 . 1 1 14 14 ALA CA C 14 54.677 54.677 54.084 0.593 18349 5275 1 17 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.823 -0.457 18349 5276 1 17 . 1 1 15 15 ASP N N 15 114.584 114.584 115.425 -0.841 18349 5277 1 17 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.636 -0.154 18349 5278 1 17 . 1 1 15 15 ASP CA C 15 52.858 52.858 54.517 -1.659 18349 5279 1 17 . 1 1 15 15 ASP CB C 15 40.064 40.064 42.025 -1.961 18349 5280 1 17 . 1 1 16 16 LEU N N 16 115.700 115.700 120.804 -5.104 18349 5281 1 17 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.581 -0.914 18349 5282 1 17 . 1 1 16 16 LEU CA C 16 56.389 56.389 54.935 1.454 18349 5283 1 17 . 1 1 16 16 LEU CB C 16 40.261 40.261 43.844 -3.583 18349 5284 1 17 . 1 1 17 17 SER N N 17 112.160 112.160 115.362 -3.202 18349 5285 1 17 . 1 1 17 17 SER HA H 17 4.389 4.389 4.415 -0.026 18349 5286 1 17 . 1 1 17 17 SER CA C 17 59.732 59.732 59.029 0.703 18349 5287 1 17 . 1 1 17 17 SER CB C 17 64.092 64.092 64.150 -0.057 18349 5288 1 17 . 1 1 18 18 SER N N 18 114.973 114.973 119.670 -4.697 18349 5289 1 17 . 1 1 18 18 SER HA H 18 5.024 5.024 4.535 0.489 18349 5290 1 17 . 1 1 18 18 SER CA C 18 56.996 56.996 58.108 -1.112 18349 5291 1 17 . 1 1 18 18 SER CB C 18 65.549 65.549 62.623 2.926 18349 5292 1 17 . 1 1 19 19 ALA N N 19 122.800 122.800 130.126 -7.326 18349 5293 1 17 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.587 0.406 18349 5294 1 17 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.436 -0.799 18349 5295 1 17 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.234 4.287 18349 5296 1 17 . 1 1 20 20 THR N N 20 115.578 115.578 116.592 -1.014 18349 5297 1 17 . 1 1 20 20 THR HA H 20 5.016 5.016 4.099 0.917 18349 5298 1 17 . 1 1 20 20 THR CA C 20 61.219 61.219 64.431 -3.212 18349 5299 1 17 . 1 1 20 20 THR CB C 20 71.159 71.159 68.697 2.462 18349 5300 1 17 . 1 1 21 21 LEU N N 21 126.796 126.796 129.826 -3.030 18349 5301 1 17 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.527 0.194 18349 5302 1 17 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.276 -0.597 18349 5303 1 17 . 1 1 21 21 LEU CB C 21 44.900 44.900 44.343 0.557 18349 5304 1 17 . 1 1 22 22 ASP N N 22 124.700 124.700 124.452 0.248 18349 5305 1 17 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.883 -0.126 18349 5306 1 17 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.541 0.476 18349 5307 1 17 . 1 1 22 22 ASP CB C 22 41.983 41.983 42.167 -0.184 18349 5308 1 17 . 1 1 23 23 ILE N N 23 124.629 124.629 121.967 2.662 18349 5309 1 17 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.513 -0.482 18349 5310 1 17 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.887 -1.258 18349 5311 1 17 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.667 -1.605 18349 5312 1 17 . 1 1 24 24 SER N N 24 125.361 125.361 123.827 1.534 18349 5313 1 17 . 1 1 24 24 SER HA H 24 4.398 4.398 4.648 -0.250 18349 5314 1 17 . 1 1 24 24 SER CA C 24 58.184 58.184 57.674 0.510 18349 5315 1 17 . 1 1 24 24 SER CB C 24 64.557 64.557 64.881 -0.324 18349 5316 1 17 . 1 1 25 25 LYS N N 25 124.630 124.630 118.374 6.256 18349 5317 1 17 . 1 1 25 25 LYS HA H 25 4.181 4.181 3.907 0.274 18349 5318 1 17 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.972 1.455 18349 5319 1 17 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.782 -0.740 18349 5320 1 17 . 1 1 26 26 GLN N N 26 117.379 117.379 119.852 -2.473 18349 5321 1 17 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.107 -0.041 18349 5322 1 17 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.294 4.027 18349 5323 1 17 . 1 1 26 26 GLN CB C 26 28.773 28.773 26.620 2.153 18349 5324 1 17 . 1 1 27 27 TRP N N 27 118.412 118.412 120.255 -1.843 18349 5325 1 17 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.865 -0.304 18349 5326 1 17 . 1 1 27 27 TRP CA C 27 60.228 60.228 55.840 4.388 18349 5327 1 17 . 1 1 27 27 TRP CB C 27 30.121 30.121 27.919 2.203 18349 5328 1 17 . 1 1 28 28 SER N N 28 117.604 117.604 116.404 1.200 18349 5329 1 17 . 1 1 28 28 SER HA H 28 4.009 4.009 4.650 -0.641 18349 5330 1 17 . 1 1 28 28 SER CA C 28 62.130 62.130 58.304 3.826 18349 5331 1 17 . 1 1 28 28 SER CB C 28 62.273 62.273 63.739 -1.466 18349 5332 1 17 . 1 1 29 29 ASN N N 29 121.383 121.383 122.684 -1.301 18349 5333 1 17 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.706 -0.111 18349 5334 1 17 . 1 1 29 29 ASN CA C 29 55.824 55.824 52.371 3.453 18349 5335 1 17 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.994 0.169 18349 5336 1 17 . 1 1 30 30 VAL CA C 30 56.222 56.222 62.493 -6.271 18349 5337 1 17 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.006 -1.512 18349 5338 1 17 . 1 1 31 31 PHE N N 31 121.135 121.135 119.931 1.204 18349 5339 1 17 . 1 1 31 31 PHE HA H 31 3.517 3.517 3.962 -0.445 18349 5340 1 17 . 1 1 31 31 PHE CA C 31 62.835 62.835 57.943 4.892 18349 5341 1 17 . 1 1 31 31 PHE CB C 31 40.156 40.156 35.935 4.221 18349 5342 1 17 . 1 1 32 32 ASN N N 32 117.099 117.099 119.237 -2.138 18349 5343 1 17 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.288 0.080 18349 5344 1 17 . 1 1 32 32 ASN CA C 32 57.015 57.015 55.773 1.242 18349 5345 1 17 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.708 0.131 18349 5346 1 17 . 1 1 33 33 ILE N N 33 120.541 120.541 119.291 1.250 18349 5347 1 17 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.786 0.003 18349 5348 1 17 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.050 0.470 18349 5349 1 17 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.778 1.561 18349 5350 1 17 . 1 1 34 34 LEU N N 34 121.099 121.099 119.747 1.352 18349 5351 1 17 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.873 -0.015 18349 5352 1 17 . 1 1 34 34 LEU CA C 34 57.819 57.819 58.126 -0.307 18349 5353 1 17 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.204 -0.539 18349 5354 1 17 . 1 1 35 35 ARG N N 35 122.638 122.638 120.040 2.598 18349 5355 1 17 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.143 -0.287 18349 5356 1 17 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.668 -0.547 18349 5357 1 17 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.316 -0.467 18349 5358 1 17 . 1 1 36 36 GLU N N 36 120.533 120.533 118.938 1.595 18349 5359 1 17 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.138 -0.028 18349 5360 1 17 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.752 -0.542 18349 5361 1 17 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.349 0.380 18349 5362 1 17 . 1 1 37 37 ASN N N 37 115.321 115.321 114.980 0.341 18349 5363 1 17 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.870 -0.032 18349 5364 1 17 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.542 0.202 18349 5365 1 17 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.153 1.393 18349 5366 1 17 . 1 1 38 38 ASP N N 38 111.921 111.921 118.126 -6.205 18349 5367 1 17 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.500 0.185 18349 5368 1 17 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.152 1.359 18349 5369 1 17 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.591 -1.389 18349 5370 1 17 . 1 1 39 39 PHE N N 39 114.378 114.378 119.424 -5.046 18349 5371 1 17 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.552 0.032 18349 5372 1 17 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.799 1.619 18349 5373 1 17 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.924 -0.959 18349 5374 1 17 . 1 1 40 40 GLU N N 40 115.531 115.531 119.095 -3.564 18349 5375 1 17 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.134 -0.226 18349 5376 1 17 . 1 1 40 40 GLU CA C 40 56.255 56.255 55.936 0.319 18349 5377 1 17 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.964 -0.238 18349 5378 1 17 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.471 0.822 18349 5379 1 17 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.627 -0.728 18349 5380 1 17 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.089 1.062 18349 5381 1 17 . 1 1 42 42 LYS N N 42 118.255 118.255 121.610 -3.355 18349 5382 1 17 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.539 0.161 18349 5383 1 17 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.905 -0.429 18349 5384 1 17 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.921 2.802 18349 5385 1 17 . 1 1 43 43 PHE N N 43 122.245 122.245 122.118 0.127 18349 5386 1 17 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.470 0.975 18349 5387 1 17 . 1 1 43 43 PHE CA C 43 57.496 57.496 58.154 -0.658 18349 5388 1 17 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.728 1.401 18349 5389 1 17 . 1 1 44 44 LEU N N 44 124.272 124.272 127.920 -3.648 18349 5390 1 17 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.617 0.196 18349 5391 1 17 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.237 -1.027 18349 5392 1 17 . 1 1 44 44 LEU CB C 44 44.365 44.365 42.921 1.444 18349 5393 1 17 . 1 1 45 45 CYS N N 45 120.218 120.218 124.253 -4.035 18349 5394 1 17 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.398 0.792 18349 5395 1 17 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.862 -1.981 18349 5396 1 17 . 1 1 45 45 CYS CB C 45 30.509 30.509 28.569 1.940 18349 5397 1 17 . 1 1 46 46 GLU N N 46 127.444 127.444 128.478 -1.034 18349 5398 1 17 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.548 0.054 18349 5399 1 17 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.129 0.069 18349 5400 1 17 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.859 2.519 18349 5401 1 17 . 1 1 47 47 VAL N N 47 126.664 126.664 118.056 8.608 18349 5402 1 17 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.094 0.638 18349 5403 1 17 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.886 -1.776 18349 5404 1 17 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.246 1.218 18349 5405 1 17 . 1 1 48 48 LYS N N 48 124.434 124.434 119.980 4.454 18349 5406 1 17 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.754 0.113 18349 5407 1 17 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.516 -0.364 18349 5408 1 17 . 1 1 48 48 LYS CB C 48 36.771 36.771 34.135 2.636 18349 5409 1 17 . 1 1 49 49 LEU N N 49 124.048 124.048 123.699 0.349 18349 5410 1 17 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.415 0.496 18349 5411 1 17 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.771 -0.804 18349 5412 1 17 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.823 5.158 18349 5413 1 17 . 1 1 50 50 ALA N N 50 130.149 130.149 127.899 2.250 18349 5414 1 17 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.295 1.545 18349 5415 1 17 . 1 1 50 50 ALA CA C 50 49.275 49.275 51.019 -1.744 18349 5416 1 17 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.634 5.400 18349 5417 1 17 . 1 1 51 51 PHE N N 51 115.001 115.001 120.182 -5.181 18349 5418 1 17 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.947 -0.136 18349 5419 1 17 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.186 1.549 18349 5420 1 17 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.533 -1.271 18349 5421 1 17 . 1 1 52 52 LYS N N 52 122.139 122.139 122.409 -0.270 18349 5422 1 17 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.663 0.241 18349 5423 1 17 . 1 1 52 52 LYS CA C 52 55.370 55.370 56.178 -0.808 18349 5424 1 17 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.432 1.643 18349 5425 1 17 . 1 1 53 53 CYS N N 53 125.893 125.893 127.511 -1.618 18349 5426 1 17 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.864 -0.063 18349 5427 1 17 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.703 -0.047 18349 5428 1 17 . 1 1 53 53 CYS CB C 53 28.954 28.954 30.007 -1.053 18349 5429 1 17 . 1 1 54 54 ASP N N 54 131.027 131.027 127.046 3.981 18349 5430 1 17 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.407 -0.051 18349 5431 1 17 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.593 0.196 18349 5432 1 17 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.319 -0.477 18349 5433 1 17 . 1 1 55 55 GLY N N 55 104.172 104.172 104.615 -0.443 18349 5434 1 17 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.133 0.552 18349 5435 1 17 . 1 1 56 56 GLU N N 56 120.557 120.557 120.056 0.501 18349 5436 1 17 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.801 -0.162 18349 5437 1 17 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.044 0.025 18349 5438 1 17 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.941 1.557 18349 5439 1 17 . 1 1 57 57 ILE N N 57 123.029 123.029 122.517 0.512 18349 5440 1 17 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.380 -0.024 18349 5441 1 17 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.907 -0.098 18349 5442 1 17 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.675 0.201 18349 5443 1 17 . 1 1 58 58 LYS N N 58 130.275 130.275 129.701 0.574 18349 5444 1 17 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.290 -0.100 18349 5445 1 17 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.468 -1.209 18349 5446 1 17 . 1 1 58 58 LYS CB C 58 33.114 33.114 31.576 1.538 18349 5447 1 17 . 1 1 59 59 THR N N 59 112.811 112.811 116.013 -3.202 18349 5448 1 17 . 1 1 59 59 THR HA H 59 5.100 5.100 4.374 0.726 18349 5449 1 17 . 1 1 59 59 THR CA C 59 60.409 60.409 61.458 -1.049 18349 5450 1 17 . 1 1 59 59 THR CB C 59 70.886 70.886 68.981 1.905 18349 5451 1 17 . 1 1 60 60 PHE N N 60 121.789 121.789 126.996 -5.207 18349 5452 1 17 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.769 -0.001 18349 5453 1 17 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.107 0.516 18349 5454 1 17 . 1 1 60 60 PHE CB C 60 44.138 44.138 41.168 2.970 18349 5455 1 17 . 1 1 61 61 SER N N 61 116.498 116.498 118.137 -1.639 18349 5456 1 17 . 1 1 61 61 SER HA H 61 4.876 4.876 4.538 0.338 18349 5457 1 17 . 1 1 61 61 SER CA C 61 58.232 58.232 58.755 -0.523 18349 5458 1 17 . 1 1 61 61 SER CB C 61 64.611 64.611 63.976 0.635 18349 5459 1 17 . 1 1 62 62 ASP N N 62 117.813 117.813 120.789 -2.976 18349 5460 1 17 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.823 0.253 18349 5461 1 17 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.310 -0.064 18349 5462 1 17 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.807 1.368 18349 5463 1 17 . 1 1 63 63 LEU N N 63 122.385 122.385 125.839 -3.454 18349 5464 1 17 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.460 -0.637 18349 5465 1 17 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.024 -0.206 18349 5466 1 17 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.472 -0.497 18349 5467 1 17 . 1 1 64 64 GLN N N 64 121.981 121.981 119.495 2.486 18349 5468 1 17 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.151 -0.141 18349 5469 1 17 . 1 1 64 64 GLN CA C 64 59.379 59.379 58.886 0.492 18349 5470 1 17 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.207 -0.612 18349 5471 1 17 . 1 1 65 65 SER N N 65 118.758 118.758 116.556 2.202 18349 5472 1 17 . 1 1 65 65 SER HA H 65 4.220 4.220 4.333 -0.113 18349 5473 1 17 . 1 1 65 65 SER CA C 65 62.205 62.205 62.174 0.031 18349 5474 1 17 . 1 1 65 65 SER CB C 65 62.355 62.355 63.057 -0.702 18349 5475 1 17 . 1 1 66 66 LEU N N 66 125.879 125.879 123.992 1.887 18349 5476 1 17 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.627 -0.446 18349 5477 1 17 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.825 0.313 18349 5478 1 17 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.425 -0.156 18349 5479 1 17 . 1 1 67 67 ARG N N 67 121.270 121.270 119.126 2.144 18349 5480 1 17 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.842 -0.231 18349 5481 1 17 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.136 -0.141 18349 5482 1 17 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.203 -0.378 18349 5483 1 17 . 1 1 68 68 LYS N N 68 120.624 120.624 118.274 2.350 18349 5484 1 17 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.089 -0.138 18349 5485 1 17 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.269 0.213 18349 5486 1 17 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.407 -0.114 18349 5487 1 17 . 1 1 69 69 PHE N N 69 122.104 122.104 121.106 0.998 18349 5488 1 17 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.242 0.014 18349 5489 1 17 . 1 1 69 69 PHE CA C 69 61.215 61.215 61.045 0.170 18349 5490 1 17 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.429 0.742 18349 5491 1 17 . 1 1 70 70 ALA N N 70 121.297 121.297 120.910 0.387 18349 5492 1 17 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.861 -0.129 18349 5493 1 17 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.849 -0.394 18349 5494 1 17 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.120 0.577 18349 5495 1 17 . 1 1 71 71 SER N N 71 109.734 109.734 111.800 -2.066 18349 5496 1 17 . 1 1 71 71 SER HA H 71 3.948 3.948 4.198 -0.250 18349 5497 1 17 . 1 1 71 71 SER CA C 71 60.995 60.995 60.437 0.558 18349 5498 1 17 . 1 1 71 71 SER CB C 71 63.451 63.451 63.054 0.397 18349 5499 1 17 . 1 1 72 72 GLN N N 72 118.485 118.485 117.748 0.737 18349 5500 1 17 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.254 0.053 18349 5501 1 17 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.610 -1.466 18349 5502 1 17 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.009 0.609 18349 5503 1 17 . 1 1 73 73 LYS N N 73 121.680 121.680 119.316 2.364 18349 5504 1 17 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.239 0.358 18349 5505 1 17 . 1 1 73 73 LYS CA C 73 53.219 53.219 55.665 -2.446 18349 5506 1 17 . 1 1 73 73 LYS CB C 73 33.143 33.143 33.110 0.033 18349 5507 1 17 . 1 1 74 74 SER CA C 74 62.000 62.000 60.550 1.450 18349 5508 1 17 . 1 1 74 74 SER CB C 74 62.392 62.392 63.568 -1.176 18349 5509 1 17 . 1 1 75 75 SER N N 75 115.269 115.269 118.925 -3.656 18349 5510 1 17 . 1 1 75 75 SER HA H 75 4.299 4.299 4.250 0.049 18349 5511 1 17 . 1 1 75 75 SER CA C 75 59.939 59.939 60.323 -0.384 18349 5512 1 17 . 1 1 75 75 SER CB C 75 62.592 62.592 62.800 -0.208 18349 5513 1 17 . 1 1 76 76 MET N N 76 119.989 119.989 120.886 -0.897 18349 5514 1 17 . 1 1 76 76 MET HA H 76 4.338 4.338 4.219 0.119 18349 5515 1 17 . 1 1 76 76 MET CA C 76 57.159 57.159 58.300 -1.141 18349 5516 1 17 . 1 1 76 76 MET CB C 76 34.819 34.819 31.988 2.830 18349 5517 1 17 . 1 1 77 77 LYS N N 77 121.432 121.432 119.882 1.550 18349 5518 1 17 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.138 -0.525 18349 5519 1 17 . 1 1 77 77 LYS CA C 77 60.133 60.133 58.641 1.492 18349 5520 1 17 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.051 0.208 18349 5521 1 17 . 1 1 78 78 GLU N N 78 117.200 117.200 115.633 1.567 18349 5522 1 17 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.369 -0.240 18349 5523 1 17 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.759 0.771 18349 5524 1 17 . 1 1 78 78 GLU CB C 78 29.525 29.525 30.271 -0.746 18349 5525 1 17 . 1 1 79 79 LEU N N 79 119.315 119.315 120.311 -0.996 18349 5526 1 17 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.160 -0.136 18349 5527 1 17 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.486 -0.404 18349 5528 1 17 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.424 0.447 18349 5529 1 17 . 1 1 80 80 LEU N N 80 114.760 114.760 118.387 -3.627 18349 5530 1 17 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.129 0.167 18349 5531 1 17 . 1 1 80 80 LEU CA C 80 53.874 53.874 56.099 -2.225 18349 5532 1 17 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.488 1.220 18349 5533 1 17 . 1 1 81 81 LYS N N 81 120.468 120.468 117.938 2.530 18349 5534 1 17 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.312 -0.400 18349 5535 1 17 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.312 0.889 18349 5536 1 17 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.496 0.913 18349 5537 1 17 . 1 1 82 82 ASP N N 82 118.031 118.031 119.665 -1.634 18349 5538 1 17 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.411 0.282 18349 5539 1 17 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.755 -1.637 18349 5540 1 17 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.217 0.229 18349 5541 1 17 . 1 1 83 83 VAL N N 83 115.842 115.842 117.692 -1.850 18349 5542 1 17 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.196 -0.004 18349 5543 1 17 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.515 -0.703 18349 5544 1 17 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.971 -1.218 18349 5545 1 17 . 1 1 84 84 LEU N N 84 123.084 123.084 124.458 -1.374 18349 5546 1 17 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.940 -0.398 18349 5547 1 17 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.386 0.652 18349 5548 1 17 . 1 1 84 84 LEU CB C 84 42.140 42.140 43.118 -0.978 18349 5549 1 17 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.579 -0.243 18349 5550 1 17 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.003 -0.150 18349 5551 1 17 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.244 0.934 18349 5552 1 17 . 1 1 86 86 GLN N N 86 121.533 121.533 125.217 -3.684 18349 5553 1 17 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.392 -0.248 18349 5554 1 17 . 1 1 86 86 GLN CA C 86 55.689 55.689 55.463 0.226 18349 5555 1 17 . 1 1 86 86 GLN CB C 86 29.618 29.618 28.941 0.677 18349 5556 1 17 . 1 1 87 87 LYS N N 87 123.688 123.688 122.371 1.317 18349 5557 1 17 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.074 0.172 18349 5558 1 17 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.944 -0.703 18349 5559 1 17 . 1 1 87 87 LYS CB C 87 33.528 33.528 30.080 3.448 18349 5560 1 18 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.483 -0.232 18349 5561 1 18 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.424 0.911 18349 5562 1 18 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.111 0.189 18349 5563 1 18 . 1 1 4 4 MET N N 4 121.761 121.761 119.933 1.828 18349 5564 1 18 . 1 1 4 4 MET HA H 4 4.422 4.422 4.354 0.068 18349 5565 1 18 . 1 1 4 4 MET CA C 4 55.404 55.404 55.105 0.299 18349 5566 1 18 . 1 1 4 4 MET CB C 4 33.059 33.059 31.694 1.365 18349 5567 1 18 . 1 1 5 5 ASP N N 5 122.449 122.449 124.972 -2.523 18349 5568 1 18 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.693 -0.114 18349 5569 1 18 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.142 0.554 18349 5570 1 18 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.287 -0.980 18349 5571 1 18 . 1 1 6 6 GLU N N 6 121.856 121.856 123.692 -1.836 18349 5572 1 18 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.355 -0.081 18349 5573 1 18 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.825 0.082 18349 5574 1 18 . 1 1 6 6 GLU CB C 6 30.047 30.047 29.922 0.125 18349 5575 1 18 . 1 1 7 7 GLY N N 7 110.268 110.268 108.547 1.721 18349 5576 1 18 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.937 0.601 18349 5577 1 18 . 1 1 8 8 ALA N N 8 123.141 123.141 120.723 2.418 18349 5578 1 18 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.433 0.090 18349 5579 1 18 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.610 0.240 18349 5580 1 18 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.228 0.504 18349 5581 1 18 . 1 1 9 9 VAL N N 9 120.521 120.521 120.066 0.455 18349 5582 1 18 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.161 0.058 18349 5583 1 18 . 1 1 9 9 VAL CA C 9 61.901 61.901 63.680 -1.779 18349 5584 1 18 . 1 1 9 9 VAL CB C 9 33.936 33.936 31.243 2.693 18349 5585 1 18 . 1 1 10 10 LEU N N 10 128.790 128.790 128.845 -0.055 18349 5586 1 18 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.962 -0.303 18349 5587 1 18 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.140 0.062 18349 5588 1 18 . 1 1 10 10 LEU CB C 10 43.815 43.815 44.869 -1.054 18349 5589 1 18 . 1 1 11 11 THR HA H 11 5.349 5.349 4.515 0.834 18349 5590 1 18 . 1 1 11 11 THR CA C 11 60.386 60.386 61.528 -1.142 18349 5591 1 18 . 1 1 11 11 THR CB C 11 72.001 72.001 70.192 1.809 18349 5592 1 18 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.660 -0.199 18349 5593 1 18 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.220 0.201 18349 5594 1 18 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.184 0.249 18349 5595 1 18 . 1 1 13 13 ALA N N 13 125.942 125.942 128.780 -2.838 18349 5596 1 18 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.413 -0.102 18349 5597 1 18 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.415 0.558 18349 5598 1 18 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.622 0.636 18349 5599 1 18 . 1 1 14 14 ALA N N 14 125.619 125.619 127.941 -2.322 18349 5600 1 18 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.106 0.014 18349 5601 1 18 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.147 2.530 18349 5602 1 18 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.186 0.180 18349 5603 1 18 . 1 1 15 15 ASP N N 15 114.584 114.584 120.250 -5.666 18349 5604 1 18 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.410 0.072 18349 5605 1 18 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.877 -3.019 18349 5606 1 18 . 1 1 15 15 ASP CB C 15 40.064 40.064 39.643 0.421 18349 5607 1 18 . 1 1 16 16 LEU N N 16 115.700 115.700 118.635 -2.935 18349 5608 1 18 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.286 -0.619 18349 5609 1 18 . 1 1 16 16 LEU CA C 16 56.389 56.389 56.586 -0.197 18349 5610 1 18 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.278 -2.017 18349 5611 1 18 . 1 1 17 17 SER N N 17 112.160 112.160 113.066 -0.906 18349 5612 1 18 . 1 1 17 17 SER HA H 17 4.389 4.389 4.531 -0.142 18349 5613 1 18 . 1 1 17 17 SER CA C 17 59.732 59.732 58.896 0.836 18349 5614 1 18 . 1 1 17 17 SER CB C 17 64.092 64.092 65.271 -1.179 18349 5615 1 18 . 1 1 18 18 SER N N 18 114.973 114.973 119.645 -4.672 18349 5616 1 18 . 1 1 18 18 SER HA H 18 5.024 5.024 4.532 0.492 18349 5617 1 18 . 1 1 18 18 SER CA C 18 56.996 56.996 57.922 -0.926 18349 5618 1 18 . 1 1 18 18 SER CB C 18 65.549 65.549 63.486 2.063 18349 5619 1 18 . 1 1 19 19 ALA N N 19 122.800 122.800 128.368 -5.568 18349 5620 1 18 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.446 0.547 18349 5621 1 18 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.382 -0.745 18349 5622 1 18 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.614 3.907 18349 5623 1 18 . 1 1 20 20 THR N N 20 115.578 115.578 117.642 -2.064 18349 5624 1 18 . 1 1 20 20 THR HA H 20 5.016 5.016 4.221 0.795 18349 5625 1 18 . 1 1 20 20 THR CA C 20 61.219 61.219 63.422 -2.203 18349 5626 1 18 . 1 1 20 20 THR CB C 20 71.159 71.159 67.474 3.685 18349 5627 1 18 . 1 1 21 21 LEU N N 21 126.796 126.796 126.978 -0.182 18349 5628 1 18 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.637 0.084 18349 5629 1 18 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.186 -0.507 18349 5630 1 18 . 1 1 21 21 LEU CB C 21 44.900 44.900 40.670 4.230 18349 5631 1 18 . 1 1 22 22 ASP N N 22 124.700 124.700 124.243 0.457 18349 5632 1 18 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.840 -0.083 18349 5633 1 18 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.478 0.539 18349 5634 1 18 . 1 1 22 22 ASP CB C 22 41.983 41.983 45.008 -3.025 18349 5635 1 18 . 1 1 23 23 ILE N N 23 124.629 124.629 118.211 6.418 18349 5636 1 18 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.382 -0.351 18349 5637 1 18 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.803 -1.174 18349 5638 1 18 . 1 1 23 23 ILE CB C 23 38.062 38.062 40.460 -2.398 18349 5639 1 18 . 1 1 24 24 SER N N 24 125.361 125.361 121.557 3.804 18349 5640 1 18 . 1 1 24 24 SER HA H 24 4.398 4.398 4.569 -0.171 18349 5641 1 18 . 1 1 24 24 SER CA C 24 58.184 58.184 58.341 -0.157 18349 5642 1 18 . 1 1 24 24 SER CB C 24 64.557 64.557 62.531 2.026 18349 5643 1 18 . 1 1 25 25 LYS N N 25 124.630 124.630 121.133 3.497 18349 5644 1 18 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.297 -0.116 18349 5645 1 18 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.738 2.689 18349 5646 1 18 . 1 1 25 25 LYS CB C 25 32.042 32.042 30.305 1.738 18349 5647 1 18 . 1 1 26 26 GLN N N 26 117.379 117.379 118.776 -1.397 18349 5648 1 18 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.220 -0.154 18349 5649 1 18 . 1 1 26 26 GLN CA C 26 59.321 59.321 53.825 5.496 18349 5650 1 18 . 1 1 26 26 GLN CB C 26 28.773 28.773 30.966 -2.193 18349 5651 1 18 . 1 1 27 27 TRP N N 27 118.412 118.412 122.260 -3.848 18349 5652 1 18 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.689 -0.128 18349 5653 1 18 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.131 3.097 18349 5654 1 18 . 1 1 27 27 TRP CB C 27 30.121 30.121 28.920 1.201 18349 5655 1 18 . 1 1 28 28 SER N N 28 117.604 117.604 120.310 -2.706 18349 5656 1 18 . 1 1 28 28 SER HA H 28 4.009 4.009 4.565 -0.556 18349 5657 1 18 . 1 1 28 28 SER CA C 28 62.130 62.130 59.126 3.004 18349 5658 1 18 . 1 1 28 28 SER CB C 28 62.273 62.273 62.945 -0.672 18349 5659 1 18 . 1 1 29 29 ASN N N 29 121.383 121.383 119.997 1.386 18349 5660 1 18 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.513 0.082 18349 5661 1 18 . 1 1 29 29 ASN CA C 29 55.824 55.824 55.691 0.133 18349 5662 1 18 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.984 0.179 18349 5663 1 18 . 1 1 30 30 VAL CA C 30 56.222 56.222 65.742 -9.520 18349 5664 1 18 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.582 -2.088 18349 5665 1 18 . 1 1 31 31 PHE N N 31 121.135 121.135 115.141 5.994 18349 5666 1 18 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.645 -1.128 18349 5667 1 18 . 1 1 31 31 PHE CA C 31 62.835 62.835 56.862 5.973 18349 5668 1 18 . 1 1 31 31 PHE CB C 31 40.156 40.156 38.595 1.561 18349 5669 1 18 . 1 1 32 32 ASN N N 32 117.099 117.099 120.691 -3.592 18349 5670 1 18 . 1 1 32 32 ASN HA H 32 4.368 4.368 3.834 0.534 18349 5671 1 18 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.737 0.278 18349 5672 1 18 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.214 0.625 18349 5673 1 18 . 1 1 33 33 ILE N N 33 120.541 120.541 119.292 1.249 18349 5674 1 18 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.684 0.105 18349 5675 1 18 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.758 -0.239 18349 5676 1 18 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.788 0.551 18349 5677 1 18 . 1 1 34 34 LEU N N 34 121.099 121.099 119.027 2.072 18349 5678 1 18 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.749 0.109 18349 5679 1 18 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.877 -0.058 18349 5680 1 18 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.046 -0.381 18349 5681 1 18 . 1 1 35 35 ARG N N 35 122.638 122.638 119.561 3.077 18349 5682 1 18 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.037 -0.181 18349 5683 1 18 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.447 -0.326 18349 5684 1 18 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.229 -0.379 18349 5685 1 18 . 1 1 36 36 GLU N N 36 120.533 120.533 118.367 2.166 18349 5686 1 18 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.145 -0.035 18349 5687 1 18 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.519 -0.309 18349 5688 1 18 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.285 0.444 18349 5689 1 18 . 1 1 37 37 ASN N N 37 115.321 115.321 115.166 0.155 18349 5690 1 18 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.899 -0.061 18349 5691 1 18 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.402 0.342 18349 5692 1 18 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.456 1.090 18349 5693 1 18 . 1 1 38 38 ASP N N 38 111.921 111.921 117.552 -5.631 18349 5694 1 18 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.426 0.259 18349 5695 1 18 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.214 1.298 18349 5696 1 18 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.000 -0.798 18349 5697 1 18 . 1 1 39 39 PHE N N 39 114.378 114.378 117.973 -3.595 18349 5698 1 18 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.429 0.155 18349 5699 1 18 . 1 1 39 39 PHE CA C 39 59.418 59.418 58.968 0.451 18349 5700 1 18 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.531 -0.566 18349 5701 1 18 . 1 1 40 40 GLU N N 40 115.531 115.531 118.857 -3.326 18349 5702 1 18 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.181 -0.273 18349 5703 1 18 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.204 0.051 18349 5704 1 18 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.893 -0.167 18349 5705 1 18 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.710 0.583 18349 5706 1 18 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.397 -0.498 18349 5707 1 18 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.900 0.251 18349 5708 1 18 . 1 1 42 42 LYS N N 42 118.255 118.255 118.407 -0.152 18349 5709 1 18 . 1 1 42 42 LYS HA H 42 4.700 4.700 3.933 0.767 18349 5710 1 18 . 1 1 42 42 LYS CA C 42 55.476 55.476 54.803 0.673 18349 5711 1 18 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.825 2.898 18349 5712 1 18 . 1 1 43 43 PHE N N 43 122.245 122.245 118.325 3.920 18349 5713 1 18 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.181 1.264 18349 5714 1 18 . 1 1 43 43 PHE CA C 43 57.496 57.496 56.868 0.628 18349 5715 1 18 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.246 1.883 18349 5716 1 18 . 1 1 44 44 LEU N N 44 124.272 124.272 120.764 3.508 18349 5717 1 18 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.432 0.381 18349 5718 1 18 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.678 -1.468 18349 5719 1 18 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.818 2.547 18349 5720 1 18 . 1 1 45 45 CYS N N 45 120.218 120.218 122.937 -2.719 18349 5721 1 18 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.482 0.708 18349 5722 1 18 . 1 1 45 45 CYS CA C 45 56.881 56.881 57.172 -0.291 18349 5723 1 18 . 1 1 45 45 CYS CB C 45 30.509 30.509 25.247 5.262 18349 5724 1 18 . 1 1 46 46 GLU N N 46 127.444 127.444 123.980 3.464 18349 5725 1 18 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.285 0.317 18349 5726 1 18 . 1 1 46 46 GLU CA C 46 55.198 55.198 55.883 -0.684 18349 5727 1 18 . 1 1 46 46 GLU CB C 46 32.378 32.378 27.891 4.487 18349 5728 1 18 . 1 1 47 47 VAL N N 47 126.664 126.664 116.736 9.928 18349 5729 1 18 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.612 0.120 18349 5730 1 18 . 1 1 47 47 VAL CA C 47 61.110 61.110 60.888 0.222 18349 5731 1 18 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.839 0.625 18349 5732 1 18 . 1 1 48 48 LYS N N 48 124.434 124.434 122.759 1.675 18349 5733 1 18 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.723 0.144 18349 5734 1 18 . 1 1 48 48 LYS CA C 48 54.152 54.152 53.390 0.762 18349 5735 1 18 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.812 2.959 18349 5736 1 18 . 1 1 49 49 LEU N N 49 124.048 124.048 123.000 1.048 18349 5737 1 18 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.457 0.454 18349 5738 1 18 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.971 -1.004 18349 5739 1 18 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.023 4.958 18349 5740 1 18 . 1 1 50 50 ALA N N 50 130.149 130.149 128.412 1.737 18349 5741 1 18 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.443 1.397 18349 5742 1 18 . 1 1 50 50 ALA CA C 50 49.275 49.275 51.008 -1.732 18349 5743 1 18 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.997 5.037 18349 5744 1 18 . 1 1 51 51 PHE N N 51 115.001 115.001 120.167 -5.166 18349 5745 1 18 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.852 -0.041 18349 5746 1 18 . 1 1 51 51 PHE CA C 51 56.735 56.735 54.752 1.983 18349 5747 1 18 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.098 -0.836 18349 5748 1 18 . 1 1 52 52 LYS N N 52 122.139 122.139 122.233 -0.094 18349 5749 1 18 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.668 0.236 18349 5750 1 18 . 1 1 52 52 LYS CA C 52 55.370 55.370 56.041 -0.671 18349 5751 1 18 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.367 1.708 18349 5752 1 18 . 1 1 53 53 CYS N N 53 125.893 125.893 128.563 -2.670 18349 5753 1 18 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.808 -0.007 18349 5754 1 18 . 1 1 53 53 CYS CA C 53 58.656 58.656 57.966 0.690 18349 5755 1 18 . 1 1 53 53 CYS CB C 53 28.954 28.954 28.940 0.014 18349 5756 1 18 . 1 1 54 54 ASP N N 54 131.027 131.027 127.727 3.300 18349 5757 1 18 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.362 -0.006 18349 5758 1 18 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.619 0.170 18349 5759 1 18 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.071 -0.229 18349 5760 1 18 . 1 1 55 55 GLY N N 55 104.172 104.172 104.730 -0.558 18349 5761 1 18 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.950 0.735 18349 5762 1 18 . 1 1 56 56 GLU N N 56 120.557 120.557 120.965 -0.408 18349 5763 1 18 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.648 -0.009 18349 5764 1 18 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.626 -0.557 18349 5765 1 18 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.469 2.029 18349 5766 1 18 . 1 1 57 57 ILE N N 57 123.029 123.029 122.268 0.761 18349 5767 1 18 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.533 -0.177 18349 5768 1 18 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.525 0.284 18349 5769 1 18 . 1 1 57 57 ILE CB C 57 36.876 36.876 36.778 0.098 18349 5770 1 18 . 1 1 58 58 LYS N N 58 130.275 130.275 129.457 0.818 18349 5771 1 18 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.444 -0.254 18349 5772 1 18 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.636 -1.377 18349 5773 1 18 . 1 1 58 58 LYS CB C 58 33.114 33.114 32.492 0.622 18349 5774 1 18 . 1 1 59 59 THR N N 59 112.811 112.811 119.523 -6.712 18349 5775 1 18 . 1 1 59 59 THR HA H 59 5.100 5.100 4.958 0.142 18349 5776 1 18 . 1 1 59 59 THR CA C 59 60.409 60.409 61.331 -0.923 18349 5777 1 18 . 1 1 59 59 THR CB C 59 70.886 70.886 69.108 1.778 18349 5778 1 18 . 1 1 60 60 PHE N N 60 121.789 121.789 127.273 -5.484 18349 5779 1 18 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.817 -0.049 18349 5780 1 18 . 1 1 60 60 PHE CA C 60 57.623 57.623 56.948 0.675 18349 5781 1 18 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.828 1.310 18349 5782 1 18 . 1 1 61 61 SER N N 61 116.498 116.498 115.070 1.428 18349 5783 1 18 . 1 1 61 61 SER HA H 61 4.876 4.876 4.647 0.229 18349 5784 1 18 . 1 1 61 61 SER CA C 61 58.232 58.232 57.994 0.238 18349 5785 1 18 . 1 1 61 61 SER CB C 61 64.611 64.611 64.311 0.300 18349 5786 1 18 . 1 1 62 62 ASP N N 62 117.813 117.813 121.541 -3.728 18349 5787 1 18 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.818 0.258 18349 5788 1 18 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.949 -0.703 18349 5789 1 18 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.901 1.274 18349 5790 1 18 . 1 1 63 63 LEU N N 63 122.385 122.385 126.777 -4.392 18349 5791 1 18 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.269 -0.446 18349 5792 1 18 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.239 -0.421 18349 5793 1 18 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.492 -0.517 18349 5794 1 18 . 1 1 64 64 GLN N N 64 121.981 121.981 118.678 3.303 18349 5795 1 18 . 1 1 64 64 GLN HA H 64 4.010 4.010 3.998 0.012 18349 5796 1 18 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.400 -0.021 18349 5797 1 18 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.483 -0.888 18349 5798 1 18 . 1 1 65 65 SER N N 65 118.758 118.758 116.463 2.295 18349 5799 1 18 . 1 1 65 65 SER HA H 65 4.220 4.220 4.256 -0.036 18349 5800 1 18 . 1 1 65 65 SER CA C 65 62.205 62.205 62.253 -0.048 18349 5801 1 18 . 1 1 65 65 SER CB C 65 62.355 62.355 62.918 -0.563 18349 5802 1 18 . 1 1 66 66 LEU N N 66 125.879 125.879 123.529 2.350 18349 5803 1 18 . 1 1 66 66 LEU HA H 66 3.181 3.181 4.244 -1.063 18349 5804 1 18 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.516 0.623 18349 5805 1 18 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.635 -0.366 18349 5806 1 18 . 1 1 67 67 ARG N N 67 121.270 121.270 119.453 1.817 18349 5807 1 18 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.989 -0.378 18349 5808 1 18 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.754 0.241 18349 5809 1 18 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.084 -0.259 18349 5810 1 18 . 1 1 68 68 LYS N N 68 120.624 120.624 119.115 1.509 18349 5811 1 18 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.116 -0.165 18349 5812 1 18 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.400 0.082 18349 5813 1 18 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.476 -0.183 18349 5814 1 18 . 1 1 69 69 PHE N N 69 122.104 122.104 121.187 0.917 18349 5815 1 18 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.619 -0.363 18349 5816 1 18 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.824 0.391 18349 5817 1 18 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.559 0.612 18349 5818 1 18 . 1 1 70 70 ALA N N 70 121.297 121.297 119.915 1.382 18349 5819 1 18 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.912 -0.180 18349 5820 1 18 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.570 -0.115 18349 5821 1 18 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.288 0.409 18349 5822 1 18 . 1 1 71 71 SER N N 71 109.734 109.734 112.238 -2.504 18349 5823 1 18 . 1 1 71 71 SER HA H 71 3.948 3.948 4.197 -0.249 18349 5824 1 18 . 1 1 71 71 SER CA C 71 60.995 60.995 60.607 0.388 18349 5825 1 18 . 1 1 71 71 SER CB C 71 63.451 63.451 63.407 0.044 18349 5826 1 18 . 1 1 72 72 GLN N N 72 118.485 118.485 117.332 1.153 18349 5827 1 18 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.280 0.027 18349 5828 1 18 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.333 -1.188 18349 5829 1 18 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.161 0.458 18349 5830 1 18 . 1 1 73 73 LYS N N 73 121.680 121.680 120.458 1.222 18349 5831 1 18 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.296 0.301 18349 5832 1 18 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.826 -1.607 18349 5833 1 18 . 1 1 73 73 LYS CB C 73 33.143 33.143 33.458 -0.315 18349 5834 1 18 . 1 1 74 74 SER CA C 74 62.000 62.000 60.966 1.034 18349 5835 1 18 . 1 1 74 74 SER CB C 74 62.392 62.392 63.641 -1.248 18349 5836 1 18 . 1 1 75 75 SER N N 75 115.269 115.269 116.900 -1.631 18349 5837 1 18 . 1 1 75 75 SER HA H 75 4.299 4.299 4.192 0.107 18349 5838 1 18 . 1 1 75 75 SER CA C 75 59.939 59.939 60.995 -1.056 18349 5839 1 18 . 1 1 75 75 SER CB C 75 62.592 62.592 62.936 -0.344 18349 5840 1 18 . 1 1 76 76 MET N N 76 119.989 119.989 121.999 -2.010 18349 5841 1 18 . 1 1 76 76 MET HA H 76 4.338 4.338 4.238 0.100 18349 5842 1 18 . 1 1 76 76 MET CA C 76 57.159 57.159 58.551 -1.392 18349 5843 1 18 . 1 1 76 76 MET CB C 76 34.819 34.819 31.984 2.835 18349 5844 1 18 . 1 1 77 77 LYS N N 77 121.432 121.432 118.860 2.572 18349 5845 1 18 . 1 1 77 77 LYS HA H 77 3.613 3.613 3.984 -0.371 18349 5846 1 18 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.251 0.882 18349 5847 1 18 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.179 0.080 18349 5848 1 18 . 1 1 78 78 GLU N N 78 117.200 117.200 115.583 1.617 18349 5849 1 18 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.323 -0.194 18349 5850 1 18 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.336 1.194 18349 5851 1 18 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.866 -0.341 18349 5852 1 18 . 1 1 79 79 LEU N N 79 119.315 119.315 119.340 -0.025 18349 5853 1 18 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.254 -0.230 18349 5854 1 18 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.990 0.092 18349 5855 1 18 . 1 1 79 79 LEU CB C 79 42.871 42.871 43.020 -0.149 18349 5856 1 18 . 1 1 80 80 LEU N N 80 114.760 114.760 117.842 -3.082 18349 5857 1 18 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.135 0.161 18349 5858 1 18 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.988 -2.114 18349 5859 1 18 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.760 0.949 18349 5860 1 18 . 1 1 81 81 LYS N N 81 120.468 120.468 118.301 2.167 18349 5861 1 18 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.019 -0.107 18349 5862 1 18 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.688 0.513 18349 5863 1 18 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.446 0.963 18349 5864 1 18 . 1 1 82 82 ASP N N 82 118.031 118.031 118.476 -0.445 18349 5865 1 18 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.465 0.228 18349 5866 1 18 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.688 -1.570 18349 5867 1 18 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.214 0.231 18349 5868 1 18 . 1 1 83 83 VAL N N 83 115.842 115.842 118.381 -2.539 18349 5869 1 18 . 1 1 83 83 VAL HA H 83 4.192 4.192 3.990 0.202 18349 5870 1 18 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.602 -1.790 18349 5871 1 18 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.427 0.326 18349 5872 1 18 . 1 1 84 84 LEU N N 84 123.084 123.084 122.614 0.470 18349 5873 1 18 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.593 -0.051 18349 5874 1 18 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.852 -0.814 18349 5875 1 18 . 1 1 84 84 LEU CB C 84 42.140 42.140 41.364 0.776 18349 5876 1 18 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.380 -0.044 18349 5877 1 18 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.019 -0.166 18349 5878 1 18 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.845 0.333 18349 5879 1 18 . 1 1 86 86 GLN N N 86 121.533 121.533 122.649 -1.116 18349 5880 1 18 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.481 -0.337 18349 5881 1 18 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.974 0.715 18349 5882 1 18 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.671 -1.053 18349 5883 1 18 . 1 1 87 87 LYS N N 87 123.688 123.688 122.270 1.418 18349 5884 1 18 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.385 -0.139 18349 5885 1 18 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.938 -0.697 18349 5886 1 18 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.240 0.288 18349 5887 1 19 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.628 -0.377 18349 5888 1 19 . 1 1 3 3 LEU CA C 3 55.335 55.335 55.323 0.012 18349 5889 1 19 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.298 0.003 18349 5890 1 19 . 1 1 4 4 MET N N 4 121.761 121.761 118.949 2.812 18349 5891 1 19 . 1 1 4 4 MET HA H 4 4.422 4.422 4.160 0.262 18349 5892 1 19 . 1 1 4 4 MET CA C 4 55.404 55.404 55.645 -0.241 18349 5893 1 19 . 1 1 4 4 MET CB C 4 33.059 33.059 31.396 1.663 18349 5894 1 19 . 1 1 5 5 ASP N N 5 122.449 122.449 123.227 -0.778 18349 5895 1 19 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.563 0.016 18349 5896 1 19 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.962 0.734 18349 5897 1 19 . 1 1 5 5 ASP CB C 5 41.307 41.307 42.064 -0.757 18349 5898 1 19 . 1 1 6 6 GLU N N 6 121.856 121.856 122.557 -0.701 18349 5899 1 19 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.271 0.003 18349 5900 1 19 . 1 1 6 6 GLU CA C 6 56.907 56.907 56.134 0.773 18349 5901 1 19 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.345 -0.297 18349 5902 1 19 . 1 1 7 7 GLY N N 7 110.268 110.268 109.704 0.564 18349 5903 1 19 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.566 0.972 18349 5904 1 19 . 1 1 8 8 ALA N N 8 123.141 123.141 124.082 -0.941 18349 5905 1 19 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.635 -0.112 18349 5906 1 19 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.604 0.246 18349 5907 1 19 . 1 1 8 8 ALA CB C 8 20.732 20.732 18.632 2.100 18349 5908 1 19 . 1 1 9 9 VAL N N 9 120.521 120.521 123.641 -3.120 18349 5909 1 19 . 1 1 9 9 VAL HA H 9 4.219 4.219 3.864 0.355 18349 5910 1 19 . 1 1 9 9 VAL CA C 9 61.901 61.901 63.113 -1.212 18349 5911 1 19 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.311 1.625 18349 5912 1 19 . 1 1 10 10 LEU N N 10 128.790 128.790 116.262 12.528 18349 5913 1 19 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.699 -0.040 18349 5914 1 19 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.316 -0.114 18349 5915 1 19 . 1 1 10 10 LEU CB C 10 43.815 43.815 43.380 0.435 18349 5916 1 19 . 1 1 11 11 THR HA H 11 5.349 5.349 4.553 0.796 18349 5917 1 19 . 1 1 11 11 THR CA C 11 60.386 60.386 61.681 -1.295 18349 5918 1 19 . 1 1 11 11 THR CB C 11 72.001 72.001 70.038 1.963 18349 5919 1 19 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.909 -0.448 18349 5920 1 19 . 1 1 12 12 LEU CA C 12 54.421 54.421 53.412 1.009 18349 5921 1 19 . 1 1 12 12 LEU CB C 12 43.433 43.433 42.718 0.715 18349 5922 1 19 . 1 1 13 13 ALA N N 13 125.942 125.942 130.070 -4.128 18349 5923 1 19 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.112 0.199 18349 5924 1 19 . 1 1 13 13 ALA CA C 13 51.973 51.973 54.443 -2.470 18349 5925 1 19 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.486 0.772 18349 5926 1 19 . 1 1 14 14 ALA N N 14 125.619 125.619 117.964 7.655 18349 5927 1 19 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.315 -0.194 18349 5928 1 19 . 1 1 14 14 ALA CA C 14 54.677 54.677 52.172 2.505 18349 5929 1 19 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.949 -0.583 18349 5930 1 19 . 1 1 15 15 ASP N N 15 114.584 114.584 119.138 -4.554 18349 5931 1 19 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.621 -0.139 18349 5932 1 19 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.598 -2.740 18349 5933 1 19 . 1 1 15 15 ASP CB C 15 40.064 40.064 41.306 -1.242 18349 5934 1 19 . 1 1 16 16 LEU N N 16 115.700 115.700 118.964 -3.264 18349 5935 1 19 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.636 -0.969 18349 5936 1 19 . 1 1 16 16 LEU CA C 16 56.389 56.389 53.540 2.849 18349 5937 1 19 . 1 1 16 16 LEU CB C 16 40.261 40.261 45.303 -5.042 18349 5938 1 19 . 1 1 17 17 SER N N 17 112.160 112.160 115.691 -3.531 18349 5939 1 19 . 1 1 17 17 SER HA H 17 4.389 4.389 4.536 -0.147 18349 5940 1 19 . 1 1 17 17 SER CA C 17 59.732 59.732 58.939 0.793 18349 5941 1 19 . 1 1 17 17 SER CB C 17 64.092 64.092 63.054 1.038 18349 5942 1 19 . 1 1 18 18 SER N N 18 114.973 114.973 117.371 -2.398 18349 5943 1 19 . 1 1 18 18 SER HA H 18 5.024 5.024 4.564 0.460 18349 5944 1 19 . 1 1 18 18 SER CA C 18 56.996 56.996 57.346 -0.350 18349 5945 1 19 . 1 1 18 18 SER CB C 18 65.549 65.549 63.876 1.673 18349 5946 1 19 . 1 1 19 19 ALA N N 19 122.800 122.800 130.846 -8.046 18349 5947 1 19 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.408 0.585 18349 5948 1 19 . 1 1 19 19 ALA CA C 19 50.637 50.637 51.962 -1.325 18349 5949 1 19 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.195 4.326 18349 5950 1 19 . 1 1 20 20 THR N N 20 115.578 115.578 120.984 -5.406 18349 5951 1 19 . 1 1 20 20 THR HA H 20 5.016 5.016 4.394 0.622 18349 5952 1 19 . 1 1 20 20 THR CA C 20 61.219 61.219 62.739 -1.520 18349 5953 1 19 . 1 1 20 20 THR CB C 20 71.159 71.159 68.288 2.871 18349 5954 1 19 . 1 1 21 21 LEU N N 21 126.796 126.796 126.990 -0.194 18349 5955 1 19 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.622 0.099 18349 5956 1 19 . 1 1 21 21 LEU CA C 21 53.679 53.679 53.652 0.027 18349 5957 1 19 . 1 1 21 21 LEU CB C 21 44.900 44.900 43.102 1.798 18349 5958 1 19 . 1 1 22 22 ASP N N 22 124.700 124.700 121.076 3.624 18349 5959 1 19 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.599 0.158 18349 5960 1 19 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.883 -0.866 18349 5961 1 19 . 1 1 22 22 ASP CB C 22 41.983 41.983 40.502 1.481 18349 5962 1 19 . 1 1 23 23 ILE N N 23 124.629 124.629 124.097 0.532 18349 5963 1 19 . 1 1 23 23 ILE HA H 23 4.031 4.031 3.903 0.128 18349 5964 1 19 . 1 1 23 23 ILE CA C 23 59.629 59.629 62.926 -3.297 18349 5965 1 19 . 1 1 23 23 ILE CB C 23 38.062 38.062 38.702 -0.639 18349 5966 1 19 . 1 1 24 24 SER N N 24 125.361 125.361 115.225 10.136 18349 5967 1 19 . 1 1 24 24 SER HA H 24 4.398 4.398 4.668 -0.270 18349 5968 1 19 . 1 1 24 24 SER CA C 24 58.184 58.184 57.138 1.046 18349 5969 1 19 . 1 1 24 24 SER CB C 24 64.557 64.557 64.443 0.114 18349 5970 1 19 . 1 1 25 25 LYS N N 25 124.630 124.630 123.650 0.980 18349 5971 1 19 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.453 -0.272 18349 5972 1 19 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.519 1.908 18349 5973 1 19 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.987 -0.945 18349 5974 1 19 . 1 1 26 26 GLN N N 26 117.379 117.379 119.057 -1.678 18349 5975 1 19 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.369 -0.303 18349 5976 1 19 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.417 3.904 18349 5977 1 19 . 1 1 26 26 GLN CB C 26 28.773 28.773 27.785 0.988 18349 5978 1 19 . 1 1 27 27 TRP N N 27 118.412 118.412 127.295 -8.883 18349 5979 1 19 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.875 -0.314 18349 5980 1 19 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.232 2.996 18349 5981 1 19 . 1 1 27 27 TRP CB C 27 30.121 30.121 30.016 0.105 18349 5982 1 19 . 1 1 28 28 SER N N 28 117.604 117.604 118.091 -0.487 18349 5983 1 19 . 1 1 28 28 SER HA H 28 4.009 4.009 4.625 -0.616 18349 5984 1 19 . 1 1 28 28 SER CA C 28 62.130 62.130 57.777 4.353 18349 5985 1 19 . 1 1 28 28 SER CB C 28 62.273 62.273 64.157 -1.884 18349 5986 1 19 . 1 1 29 29 ASN N N 29 121.383 121.383 120.539 0.844 18349 5987 1 19 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.617 -0.022 18349 5988 1 19 . 1 1 29 29 ASN CA C 29 55.824 55.824 54.165 1.659 18349 5989 1 19 . 1 1 29 29 ASN CB C 29 38.163 38.163 38.150 0.013 18349 5990 1 19 . 1 1 30 30 VAL CA C 30 56.222 56.222 64.616 -8.394 18349 5991 1 19 . 1 1 30 30 VAL CB C 30 29.494 29.494 30.423 -0.929 18349 5992 1 19 . 1 1 31 31 PHE N N 31 121.135 121.135 114.615 6.520 18349 5993 1 19 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.891 -1.374 18349 5994 1 19 . 1 1 31 31 PHE CA C 31 62.835 62.835 55.239 7.596 18349 5995 1 19 . 1 1 31 31 PHE CB C 31 40.156 40.156 39.161 0.994 18349 5996 1 19 . 1 1 32 32 ASN N N 32 117.099 117.099 121.622 -4.523 18349 5997 1 19 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.330 0.038 18349 5998 1 19 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.738 0.277 18349 5999 1 19 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.590 0.249 18349 6000 1 19 . 1 1 33 33 ILE N N 33 120.541 120.541 118.442 2.099 18349 6001 1 19 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.794 -0.005 18349 6002 1 19 . 1 1 33 33 ILE CA C 33 64.520 64.520 64.052 0.468 18349 6003 1 19 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.913 1.425 18349 6004 1 19 . 1 1 34 34 LEU N N 34 121.099 121.099 118.654 2.445 18349 6005 1 19 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.637 0.221 18349 6006 1 19 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.929 -0.110 18349 6007 1 19 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.233 -0.568 18349 6008 1 19 . 1 1 35 35 ARG N N 35 122.638 122.638 118.982 3.656 18349 6009 1 19 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.228 -0.372 18349 6010 1 19 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.028 0.093 18349 6011 1 19 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.467 -0.618 18349 6012 1 19 . 1 1 36 36 GLU N N 36 120.533 120.533 118.591 1.942 18349 6013 1 19 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.203 -0.093 18349 6014 1 19 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.467 -0.257 18349 6015 1 19 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.447 0.282 18349 6016 1 19 . 1 1 37 37 ASN N N 37 115.321 115.321 115.658 -0.337 18349 6017 1 19 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.902 -0.064 18349 6018 1 19 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.575 0.169 18349 6019 1 19 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.244 1.302 18349 6020 1 19 . 1 1 38 38 ASP N N 38 111.921 111.921 118.262 -6.341 18349 6021 1 19 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.516 0.169 18349 6022 1 19 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.014 1.497 18349 6023 1 19 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.666 -1.464 18349 6024 1 19 . 1 1 39 39 PHE N N 39 114.378 114.378 120.533 -6.155 18349 6025 1 19 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.563 0.021 18349 6026 1 19 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.101 2.317 18349 6027 1 19 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.720 -0.755 18349 6028 1 19 . 1 1 40 40 GLU N N 40 115.531 115.531 119.434 -3.903 18349 6029 1 19 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.197 -0.289 18349 6030 1 19 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.210 0.045 18349 6031 1 19 . 1 1 40 40 GLU CB C 40 28.726 28.726 29.056 -0.330 18349 6032 1 19 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.608 0.685 18349 6033 1 19 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.368 -0.469 18349 6034 1 19 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.476 0.675 18349 6035 1 19 . 1 1 42 42 LYS N N 42 118.255 118.255 117.568 0.687 18349 6036 1 19 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.798 -0.098 18349 6037 1 19 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.410 0.066 18349 6038 1 19 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.813 2.910 18349 6039 1 19 . 1 1 43 43 PHE N N 43 122.245 122.245 121.651 0.594 18349 6040 1 19 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.642 0.803 18349 6041 1 19 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.664 -0.168 18349 6042 1 19 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.994 1.135 18349 6043 1 19 . 1 1 44 44 LEU N N 44 124.272 124.272 124.073 0.199 18349 6044 1 19 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.949 -0.136 18349 6045 1 19 . 1 1 44 44 LEU CA C 44 53.210 53.210 55.063 -1.853 18349 6046 1 19 . 1 1 44 44 LEU CB C 44 44.365 44.365 42.843 1.522 18349 6047 1 19 . 1 1 45 45 CYS N N 45 120.218 120.218 122.069 -1.851 18349 6048 1 19 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.656 0.534 18349 6049 1 19 . 1 1 45 45 CYS CA C 45 56.881 56.881 57.903 -1.022 18349 6050 1 19 . 1 1 45 45 CYS CB C 45 30.509 30.509 30.649 -0.140 18349 6051 1 19 . 1 1 46 46 GLU N N 46 127.444 127.444 122.857 4.587 18349 6052 1 19 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.371 0.231 18349 6053 1 19 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.898 -1.700 18349 6054 1 19 . 1 1 46 46 GLU CB C 46 32.378 32.378 28.850 3.528 18349 6055 1 19 . 1 1 47 47 VAL N N 47 126.664 126.664 124.252 2.412 18349 6056 1 19 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.236 0.496 18349 6057 1 19 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.162 -0.052 18349 6058 1 19 . 1 1 47 47 VAL CB C 47 33.464 33.464 33.692 -0.228 18349 6059 1 19 . 1 1 48 48 LYS N N 48 124.434 124.434 124.152 0.282 18349 6060 1 19 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.610 0.257 18349 6061 1 19 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.889 -0.737 18349 6062 1 19 . 1 1 48 48 LYS CB C 48 36.771 36.771 31.096 5.675 18349 6063 1 19 . 1 1 49 49 LEU N N 49 124.048 124.048 126.656 -2.608 18349 6064 1 19 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.354 0.557 18349 6065 1 19 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.868 -0.901 18349 6066 1 19 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.841 5.140 18349 6067 1 19 . 1 1 50 50 ALA N N 50 130.149 130.149 128.543 1.606 18349 6068 1 19 . 1 1 50 50 ALA HA H 50 5.840 5.840 5.160 0.680 18349 6069 1 19 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.899 -1.624 18349 6070 1 19 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.998 4.036 18349 6071 1 19 . 1 1 51 51 PHE N N 51 115.001 115.001 121.507 -6.506 18349 6072 1 19 . 1 1 51 51 PHE HA H 51 4.811 4.811 5.079 -0.268 18349 6073 1 19 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.292 1.443 18349 6074 1 19 . 1 1 51 51 PHE CB C 51 39.262 39.262 41.310 -2.048 18349 6075 1 19 . 1 1 52 52 LYS N N 52 122.139 122.139 122.186 -0.047 18349 6076 1 19 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.791 0.113 18349 6077 1 19 . 1 1 52 52 LYS CA C 52 55.370 55.370 56.241 -0.871 18349 6078 1 19 . 1 1 52 52 LYS CB C 52 34.075 34.075 32.689 1.386 18349 6079 1 19 . 1 1 53 53 CYS N N 53 125.893 125.893 127.572 -1.679 18349 6080 1 19 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.807 -0.006 18349 6081 1 19 . 1 1 53 53 CYS CA C 53 58.656 58.656 59.106 -0.450 18349 6082 1 19 . 1 1 53 53 CYS CB C 53 28.954 28.954 30.053 -1.099 18349 6083 1 19 . 1 1 54 54 ASP N N 54 131.027 131.027 126.792 4.235 18349 6084 1 19 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.397 -0.042 18349 6085 1 19 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.248 0.541 18349 6086 1 19 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.868 -1.026 18349 6087 1 19 . 1 1 55 55 GLY N N 55 104.172 104.172 104.075 0.097 18349 6088 1 19 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.930 0.755 18349 6089 1 19 . 1 1 56 56 GLU N N 56 120.557 120.557 120.144 0.413 18349 6090 1 19 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.748 -0.109 18349 6091 1 19 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.228 -0.159 18349 6092 1 19 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.962 1.536 18349 6093 1 19 . 1 1 57 57 ILE N N 57 123.029 123.029 121.270 1.759 18349 6094 1 19 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.697 -0.341 18349 6095 1 19 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.471 0.337 18349 6096 1 19 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.542 -0.666 18349 6097 1 19 . 1 1 58 58 LYS N N 58 130.275 130.275 128.849 1.426 18349 6098 1 19 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.406 -0.216 18349 6099 1 19 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.233 -0.974 18349 6100 1 19 . 1 1 58 58 LYS CB C 58 33.114 33.114 34.447 -1.333 18349 6101 1 19 . 1 1 59 59 THR N N 59 112.811 112.811 114.593 -1.782 18349 6102 1 19 . 1 1 59 59 THR HA H 59 5.100 5.100 4.770 0.330 18349 6103 1 19 . 1 1 59 59 THR CA C 59 60.409 60.409 60.579 -0.170 18349 6104 1 19 . 1 1 59 59 THR CB C 59 70.886 70.886 69.055 1.831 18349 6105 1 19 . 1 1 60 60 PHE N N 60 121.789 121.789 126.742 -4.953 18349 6106 1 19 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.796 -0.028 18349 6107 1 19 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.145 0.478 18349 6108 1 19 . 1 1 60 60 PHE CB C 60 44.138 44.138 40.890 3.248 18349 6109 1 19 . 1 1 61 61 SER N N 61 116.498 116.498 117.706 -1.208 18349 6110 1 19 . 1 1 61 61 SER HA H 61 4.876 4.876 4.899 -0.023 18349 6111 1 19 . 1 1 61 61 SER CA C 61 58.232 58.232 58.152 0.080 18349 6112 1 19 . 1 1 61 61 SER CB C 61 64.611 64.611 64.224 0.387 18349 6113 1 19 . 1 1 62 62 ASP N N 62 117.813 117.813 121.217 -3.404 18349 6114 1 19 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.923 0.153 18349 6115 1 19 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.598 -0.352 18349 6116 1 19 . 1 1 62 62 ASP CB C 62 44.175 44.175 43.733 0.442 18349 6117 1 19 . 1 1 63 63 LEU N N 63 122.385 122.385 125.541 -3.156 18349 6118 1 19 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.191 -0.368 18349 6119 1 19 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.758 -0.940 18349 6120 1 19 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.492 -0.517 18349 6121 1 19 . 1 1 64 64 GLN N N 64 121.981 121.981 119.548 2.433 18349 6122 1 19 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.052 -0.042 18349 6123 1 19 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.263 0.116 18349 6124 1 19 . 1 1 64 64 GLN CB C 64 27.595 27.595 27.786 -0.191 18349 6125 1 19 . 1 1 65 65 SER N N 65 118.758 118.758 114.454 4.304 18349 6126 1 19 . 1 1 65 65 SER HA H 65 4.220 4.220 4.306 -0.086 18349 6127 1 19 . 1 1 65 65 SER CA C 65 62.205 62.205 61.328 0.877 18349 6128 1 19 . 1 1 65 65 SER CB C 65 62.355 62.355 62.843 -0.488 18349 6129 1 19 . 1 1 66 66 LEU N N 66 125.879 125.879 123.106 2.773 18349 6130 1 19 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.945 -0.764 18349 6131 1 19 . 1 1 66 66 LEU CA C 66 58.139 58.139 56.818 1.321 18349 6132 1 19 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.466 -0.197 18349 6133 1 19 . 1 1 67 67 ARG N N 67 121.270 121.270 120.074 1.196 18349 6134 1 19 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.824 -0.213 18349 6135 1 19 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.478 -0.484 18349 6136 1 19 . 1 1 67 67 ARG CB C 67 29.825 29.825 30.165 -0.339 18349 6137 1 19 . 1 1 68 68 LYS N N 68 120.624 120.624 118.642 1.982 18349 6138 1 19 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.049 -0.098 18349 6139 1 19 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.673 -0.191 18349 6140 1 19 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.313 -0.021 18349 6141 1 19 . 1 1 69 69 PHE N N 69 122.104 122.104 119.776 2.328 18349 6142 1 19 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.239 0.017 18349 6143 1 19 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.999 0.216 18349 6144 1 19 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.391 0.780 18349 6145 1 19 . 1 1 70 70 ALA N N 70 121.297 121.297 120.761 0.536 18349 6146 1 19 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.995 -0.263 18349 6147 1 19 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.516 -0.061 18349 6148 1 19 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.343 0.354 18349 6149 1 19 . 1 1 71 71 SER N N 71 109.734 109.734 112.608 -2.874 18349 6150 1 19 . 1 1 71 71 SER HA H 71 3.948 3.948 4.158 -0.210 18349 6151 1 19 . 1 1 71 71 SER CA C 71 60.995 60.995 61.371 -0.376 18349 6152 1 19 . 1 1 71 71 SER CB C 71 63.451 63.451 63.284 0.167 18349 6153 1 19 . 1 1 72 72 GLN N N 72 118.485 118.485 116.605 1.880 18349 6154 1 19 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.325 -0.018 18349 6155 1 19 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.618 -0.474 18349 6156 1 19 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.056 0.562 18349 6157 1 19 . 1 1 73 73 LYS N N 73 121.680 121.680 121.832 -0.152 18349 6158 1 19 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.428 0.169 18349 6159 1 19 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.849 -1.629 18349 6160 1 19 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.873 0.270 18349 6161 1 19 . 1 1 74 74 SER CA C 74 62.000 62.000 61.577 0.423 18349 6162 1 19 . 1 1 74 74 SER CB C 74 62.392 62.392 63.102 -0.710 18349 6163 1 19 . 1 1 75 75 SER N N 75 115.269 115.269 115.874 -0.605 18349 6164 1 19 . 1 1 75 75 SER HA H 75 4.299 4.299 4.343 -0.044 18349 6165 1 19 . 1 1 75 75 SER CA C 75 59.939 59.939 60.516 -0.577 18349 6166 1 19 . 1 1 75 75 SER CB C 75 62.592 62.592 62.851 -0.259 18349 6167 1 19 . 1 1 76 76 MET N N 76 119.989 119.989 119.762 0.227 18349 6168 1 19 . 1 1 76 76 MET HA H 76 4.338 4.338 4.489 -0.151 18349 6169 1 19 . 1 1 76 76 MET CA C 76 57.159 57.159 56.794 0.365 18349 6170 1 19 . 1 1 76 76 MET CB C 76 34.819 34.819 32.801 2.018 18349 6171 1 19 . 1 1 77 77 LYS N N 77 121.432 121.432 121.709 -0.277 18349 6172 1 19 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.024 -0.411 18349 6173 1 19 . 1 1 77 77 LYS CA C 77 60.133 60.133 60.032 0.101 18349 6174 1 19 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.430 -0.171 18349 6175 1 19 . 1 1 78 78 GLU N N 78 117.200 117.200 116.938 0.262 18349 6176 1 19 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.216 -0.087 18349 6177 1 19 . 1 1 78 78 GLU CA C 78 57.530 57.530 57.319 0.211 18349 6178 1 19 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.263 0.262 18349 6179 1 19 . 1 1 79 79 LEU N N 79 119.315 119.315 119.342 -0.027 18349 6180 1 19 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.259 -0.235 18349 6181 1 19 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.962 0.120 18349 6182 1 19 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.835 0.036 18349 6183 1 19 . 1 1 80 80 LEU N N 80 114.760 114.760 117.050 -2.290 18349 6184 1 19 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.409 -0.113 18349 6185 1 19 . 1 1 80 80 LEU CA C 80 53.874 53.874 54.153 -0.279 18349 6186 1 19 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.158 1.550 18349 6187 1 19 . 1 1 81 81 LYS N N 81 120.468 120.468 119.844 0.624 18349 6188 1 19 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.025 -0.113 18349 6189 1 19 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.951 0.250 18349 6190 1 19 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.463 0.946 18349 6191 1 19 . 1 1 82 82 ASP N N 82 118.031 118.031 120.354 -2.323 18349 6192 1 19 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.478 0.215 18349 6193 1 19 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.383 -1.265 18349 6194 1 19 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.120 0.325 18349 6195 1 19 . 1 1 83 83 VAL N N 83 115.842 115.842 111.801 4.041 18349 6196 1 19 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.391 -0.199 18349 6197 1 19 . 1 1 83 83 VAL CA C 83 61.812 61.812 61.204 0.608 18349 6198 1 19 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.946 -0.193 18349 6199 1 19 . 1 1 84 84 LEU N N 84 123.084 123.084 121.913 1.171 18349 6200 1 19 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.720 -0.178 18349 6201 1 19 . 1 1 84 84 LEU CA C 84 52.038 52.038 51.298 0.740 18349 6202 1 19 . 1 1 84 84 LEU CB C 84 42.140 42.140 44.867 -2.727 18349 6203 1 19 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.424 -0.088 18349 6204 1 19 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.048 -0.195 18349 6205 1 19 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.687 0.491 18349 6206 1 19 . 1 1 86 86 GLN N N 86 121.533 121.533 122.732 -1.199 18349 6207 1 19 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.490 -0.346 18349 6208 1 19 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.181 1.508 18349 6209 1 19 . 1 1 86 86 GLN CB C 86 29.618 29.618 30.857 -1.239 18349 6210 1 19 . 1 1 87 87 LYS N N 87 123.688 123.688 120.199 3.489 18349 6211 1 19 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.297 -0.051 18349 6212 1 19 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.870 -0.629 18349 6213 1 19 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.496 1.032 18349 6214 1 20 . 1 1 3 3 LEU HA H 3 4.251 4.251 4.476 -0.225 18349 6215 1 20 . 1 1 3 3 LEU CA C 3 55.335 55.335 55.978 -0.643 18349 6216 1 20 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.473 -0.172 18349 6217 1 20 . 1 1 4 4 MET N N 4 121.761 121.761 119.805 1.956 18349 6218 1 20 . 1 1 4 4 MET HA H 4 4.422 4.422 4.511 -0.089 18349 6219 1 20 . 1 1 4 4 MET CA C 4 55.404 55.404 55.984 -0.580 18349 6220 1 20 . 1 1 4 4 MET CB C 4 33.059 33.059 32.741 0.318 18349 6221 1 20 . 1 1 5 5 ASP N N 5 122.449 122.449 120.781 1.668 18349 6222 1 20 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.684 -0.105 18349 6223 1 20 . 1 1 5 5 ASP CA C 5 54.696 54.696 53.817 0.879 18349 6224 1 20 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.437 -0.130 18349 6225 1 20 . 1 1 6 6 GLU N N 6 121.856 121.856 120.284 1.572 18349 6226 1 20 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.459 -0.185 18349 6227 1 20 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.092 1.815 18349 6228 1 20 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.367 -0.320 18349 6229 1 20 . 1 1 7 7 GLY N N 7 110.268 110.268 109.055 1.213 18349 6230 1 20 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.732 0.806 18349 6231 1 20 . 1 1 8 8 ALA N N 8 123.141 123.141 122.497 0.644 18349 6232 1 20 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.726 -0.203 18349 6233 1 20 . 1 1 8 8 ALA CA C 8 51.850 51.850 52.044 -0.194 18349 6234 1 20 . 1 1 8 8 ALA CB C 8 20.732 20.732 20.516 0.216 18349 6235 1 20 . 1 1 9 9 VAL N N 9 120.521 120.521 121.185 -0.664 18349 6236 1 20 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.354 -0.135 18349 6237 1 20 . 1 1 9 9 VAL CA C 9 61.901 61.901 61.402 0.499 18349 6238 1 20 . 1 1 9 9 VAL CB C 9 33.936 33.936 33.703 0.234 18349 6239 1 20 . 1 1 10 10 LEU N N 10 128.790 128.790 126.548 2.242 18349 6240 1 20 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.417 0.242 18349 6241 1 20 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.379 -0.177 18349 6242 1 20 . 1 1 10 10 LEU CB C 10 43.815 43.815 41.829 1.986 18349 6243 1 20 . 1 1 11 11 THR HA H 11 5.349 5.349 4.340 1.009 18349 6244 1 20 . 1 1 11 11 THR CA C 11 60.386 60.386 62.476 -2.090 18349 6245 1 20 . 1 1 11 11 THR CB C 11 72.001 72.001 68.874 3.127 18349 6246 1 20 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.548 -0.087 18349 6247 1 20 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.374 0.047 18349 6248 1 20 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.533 -0.100 18349 6249 1 20 . 1 1 13 13 ALA N N 13 125.942 125.942 128.098 -2.156 18349 6250 1 20 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.449 -0.138 18349 6251 1 20 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.871 0.102 18349 6252 1 20 . 1 1 13 13 ALA CB C 13 20.258 20.258 20.098 0.160 18349 6253 1 20 . 1 1 14 14 ALA N N 14 125.619 125.619 126.806 -1.187 18349 6254 1 20 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.116 0.005 18349 6255 1 20 . 1 1 14 14 ALA CA C 14 54.677 54.677 53.969 0.708 18349 6256 1 20 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.679 -0.313 18349 6257 1 20 . 1 1 15 15 ASP N N 15 114.584 114.584 118.857 -4.273 18349 6258 1 20 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.450 0.032 18349 6259 1 20 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.508 -2.651 18349 6260 1 20 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.857 -0.793 18349 6261 1 20 . 1 1 16 16 LEU N N 16 115.700 115.700 119.396 -3.696 18349 6262 1 20 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.312 -0.645 18349 6263 1 20 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.626 0.763 18349 6264 1 20 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.435 -2.174 18349 6265 1 20 . 1 1 17 17 SER N N 17 112.160 112.160 112.891 -0.731 18349 6266 1 20 . 1 1 17 17 SER HA H 17 4.389 4.389 4.357 0.032 18349 6267 1 20 . 1 1 17 17 SER CA C 17 59.732 59.732 58.699 1.033 18349 6268 1 20 . 1 1 17 17 SER CB C 17 64.092 64.092 62.658 1.434 18349 6269 1 20 . 1 1 18 18 SER N N 18 114.973 114.973 112.972 2.001 18349 6270 1 20 . 1 1 18 18 SER HA H 18 5.024 5.024 4.251 0.773 18349 6271 1 20 . 1 1 18 18 SER CA C 18 56.996 56.996 59.373 -2.377 18349 6272 1 20 . 1 1 18 18 SER CB C 18 65.549 65.549 63.494 2.055 18349 6273 1 20 . 1 1 19 19 ALA N N 19 122.800 122.800 124.993 -2.193 18349 6274 1 20 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.398 0.595 18349 6275 1 20 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.278 -1.641 18349 6276 1 20 . 1 1 19 19 ALA CB C 19 23.521 23.521 17.986 5.535 18349 6277 1 20 . 1 1 20 20 THR N N 20 115.578 115.578 116.969 -1.391 18349 6278 1 20 . 1 1 20 20 THR HA H 20 5.016 5.016 4.464 0.552 18349 6279 1 20 . 1 1 20 20 THR CA C 20 61.219 61.219 60.643 0.576 18349 6280 1 20 . 1 1 20 20 THR CB C 20 71.159 71.159 70.265 0.894 18349 6281 1 20 . 1 1 21 21 LEU N N 21 126.796 126.796 122.428 4.368 18349 6282 1 20 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.379 0.342 18349 6283 1 20 . 1 1 21 21 LEU CA C 21 53.679 53.679 55.364 -1.685 18349 6284 1 20 . 1 1 21 21 LEU CB C 21 44.900 44.900 39.952 4.948 18349 6285 1 20 . 1 1 22 22 ASP N N 22 124.700 124.700 124.980 -0.280 18349 6286 1 20 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.758 -0.001 18349 6287 1 20 . 1 1 22 22 ASP CA C 22 54.017 54.017 54.057 -0.040 18349 6288 1 20 . 1 1 22 22 ASP CB C 22 41.983 41.983 43.335 -1.352 18349 6289 1 20 . 1 1 23 23 ILE N N 23 124.629 124.629 121.672 2.957 18349 6290 1 20 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.645 -0.614 18349 6291 1 20 . 1 1 23 23 ILE CA C 23 59.629 59.629 60.631 -1.002 18349 6292 1 20 . 1 1 23 23 ILE CB C 23 38.062 38.062 40.115 -2.054 18349 6293 1 20 . 1 1 24 24 SER N N 24 125.361 125.361 120.689 4.672 18349 6294 1 20 . 1 1 24 24 SER HA H 24 4.398 4.398 4.737 -0.339 18349 6295 1 20 . 1 1 24 24 SER CA C 24 58.184 58.184 58.009 0.175 18349 6296 1 20 . 1 1 24 24 SER CB C 24 64.557 64.557 64.453 0.104 18349 6297 1 20 . 1 1 25 25 LYS N N 25 124.630 124.630 122.241 2.389 18349 6298 1 20 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.612 -0.431 18349 6299 1 20 . 1 1 25 25 LYS CA C 25 58.427 58.427 56.173 2.254 18349 6300 1 20 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.499 -0.457 18349 6301 1 20 . 1 1 26 26 GLN N N 26 117.379 117.379 120.731 -3.352 18349 6302 1 20 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.319 -0.253 18349 6303 1 20 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.904 3.417 18349 6304 1 20 . 1 1 26 26 GLN CB C 26 28.773 28.773 27.464 1.309 18349 6305 1 20 . 1 1 27 27 TRP N N 27 118.412 118.412 126.232 -7.820 18349 6306 1 20 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.882 -0.321 18349 6307 1 20 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.497 2.731 18349 6308 1 20 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.852 0.269 18349 6309 1 20 . 1 1 28 28 SER N N 28 117.604 117.604 119.436 -1.832 18349 6310 1 20 . 1 1 28 28 SER HA H 28 4.009 4.009 4.462 -0.453 18349 6311 1 20 . 1 1 28 28 SER CA C 28 62.130 62.130 58.310 3.820 18349 6312 1 20 . 1 1 28 28 SER CB C 28 62.273 62.273 63.709 -1.436 18349 6313 1 20 . 1 1 29 29 ASN N N 29 121.383 121.383 123.112 -1.729 18349 6314 1 20 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.746 -0.151 18349 6315 1 20 . 1 1 29 29 ASN CA C 29 55.824 55.824 52.693 3.131 18349 6316 1 20 . 1 1 29 29 ASN CB C 29 38.163 38.163 37.718 0.445 18349 6317 1 20 . 1 1 30 30 VAL CA C 30 56.222 56.222 61.132 -4.910 18349 6318 1 20 . 1 1 30 30 VAL CB C 30 29.494 29.494 32.628 -3.134 18349 6319 1 20 . 1 1 31 31 PHE N N 31 121.135 121.135 119.587 1.548 18349 6320 1 20 . 1 1 31 31 PHE HA H 31 3.517 3.517 3.975 -0.458 18349 6321 1 20 . 1 1 31 31 PHE CA C 31 62.835 62.835 58.443 4.392 18349 6322 1 20 . 1 1 31 31 PHE CB C 31 40.156 40.156 36.573 3.583 18349 6323 1 20 . 1 1 32 32 ASN N N 32 117.099 117.099 119.303 -2.204 18349 6324 1 20 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.342 0.026 18349 6325 1 20 . 1 1 32 32 ASN CA C 32 57.015 57.015 55.590 1.425 18349 6326 1 20 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.534 0.305 18349 6327 1 20 . 1 1 33 33 ILE N N 33 120.541 120.541 119.373 1.168 18349 6328 1 20 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.742 0.047 18349 6329 1 20 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.973 0.547 18349 6330 1 20 . 1 1 33 33 ILE CB C 33 38.339 38.339 36.775 1.564 18349 6331 1 20 . 1 1 34 34 LEU N N 34 121.099 121.099 118.504 2.595 18349 6332 1 20 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.758 0.100 18349 6333 1 20 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.924 -0.105 18349 6334 1 20 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.174 -0.509 18349 6335 1 20 . 1 1 35 35 ARG N N 35 122.638 122.638 120.305 2.333 18349 6336 1 20 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.153 -0.297 18349 6337 1 20 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.149 -0.028 18349 6338 1 20 . 1 1 35 35 ARG CB C 35 29.849 29.849 29.676 0.173 18349 6339 1 20 . 1 1 36 36 GLU N N 36 120.533 120.533 119.094 1.439 18349 6340 1 20 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.127 -0.017 18349 6341 1 20 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.596 -0.386 18349 6342 1 20 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.320 0.409 18349 6343 1 20 . 1 1 37 37 ASN N N 37 115.321 115.321 114.907 0.414 18349 6344 1 20 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.821 0.017 18349 6345 1 20 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.498 0.246 18349 6346 1 20 . 1 1 37 37 ASN CB C 37 40.546 40.546 38.916 1.630 18349 6347 1 20 . 1 1 38 38 ASP N N 38 111.921 111.921 118.073 -6.152 18349 6348 1 20 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.513 0.172 18349 6349 1 20 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.229 1.282 18349 6350 1 20 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.659 -1.457 18349 6351 1 20 . 1 1 39 39 PHE N N 39 114.378 114.378 119.245 -4.867 18349 6352 1 20 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.603 -0.019 18349 6353 1 20 . 1 1 39 39 PHE CA C 39 59.418 59.418 56.708 2.710 18349 6354 1 20 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.610 -0.645 18349 6355 1 20 . 1 1 40 40 GLU N N 40 115.531 115.531 119.621 -4.090 18349 6356 1 20 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.169 -0.261 18349 6357 1 20 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.262 -0.007 18349 6358 1 20 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.949 -0.223 18349 6359 1 20 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.528 0.765 18349 6360 1 20 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.671 -0.772 18349 6361 1 20 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.402 0.749 18349 6362 1 20 . 1 1 42 42 LYS N N 42 118.255 118.255 122.419 -4.164 18349 6363 1 20 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.452 0.248 18349 6364 1 20 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.854 -0.378 18349 6365 1 20 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.823 2.900 18349 6366 1 20 . 1 1 43 43 PHE N N 43 122.245 122.245 121.564 0.681 18349 6367 1 20 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.360 1.085 18349 6368 1 20 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.770 -0.274 18349 6369 1 20 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.071 2.058 18349 6370 1 20 . 1 1 44 44 LEU N N 44 124.272 124.272 124.866 -0.594 18349 6371 1 20 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.442 0.371 18349 6372 1 20 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.999 -1.789 18349 6373 1 20 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.142 3.223 18349 6374 1 20 . 1 1 45 45 CYS N N 45 120.218 120.218 126.146 -5.928 18349 6375 1 20 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.479 0.712 18349 6376 1 20 . 1 1 45 45 CYS CA C 45 56.881 56.881 56.934 -0.052 18349 6377 1 20 . 1 1 45 45 CYS CB C 45 30.509 30.509 26.191 4.318 18349 6378 1 20 . 1 1 46 46 GLU N N 46 127.444 127.444 123.297 4.147 18349 6379 1 20 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.403 0.199 18349 6380 1 20 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.564 -1.366 18349 6381 1 20 . 1 1 46 46 GLU CB C 46 32.378 32.378 30.381 1.997 18349 6382 1 20 . 1 1 47 47 VAL N N 47 126.664 126.664 117.378 9.286 18349 6383 1 20 . 1 1 47 47 VAL HA H 47 4.732 4.732 3.994 0.738 18349 6384 1 20 . 1 1 47 47 VAL CA C 47 61.110 61.110 62.896 -1.786 18349 6385 1 20 . 1 1 47 47 VAL CB C 47 33.464 33.464 31.445 2.019 18349 6386 1 20 . 1 1 48 48 LYS N N 48 124.434 124.434 123.896 0.538 18349 6387 1 20 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.584 0.283 18349 6388 1 20 . 1 1 48 48 LYS CA C 48 54.152 54.152 53.646 0.506 18349 6389 1 20 . 1 1 48 48 LYS CB C 48 36.771 36.771 34.141 2.630 18349 6390 1 20 . 1 1 49 49 LEU N N 49 124.048 124.048 123.171 0.877 18349 6391 1 20 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.460 0.451 18349 6392 1 20 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.945 -0.978 18349 6393 1 20 . 1 1 49 49 LEU CB C 49 45.981 45.981 40.623 5.358 18349 6394 1 20 . 1 1 50 50 ALA N N 50 130.149 130.149 128.368 1.781 18349 6395 1 20 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.292 1.548 18349 6396 1 20 . 1 1 50 50 ALA CA C 50 49.275 49.275 50.889 -1.614 18349 6397 1 20 . 1 1 50 50 ALA CB C 50 23.034 23.034 17.759 5.275 18349 6398 1 20 . 1 1 51 51 PHE N N 51 115.001 115.001 119.175 -4.174 18349 6399 1 20 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.854 -0.043 18349 6400 1 20 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.584 1.151 18349 6401 1 20 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.242 -0.980 18349 6402 1 20 . 1 1 52 52 LYS N N 52 122.139 122.139 121.881 0.258 18349 6403 1 20 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.776 0.128 18349 6404 1 20 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.526 -0.156 18349 6405 1 20 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.181 0.894 18349 6406 1 20 . 1 1 53 53 CYS N N 53 125.893 125.893 126.573 -0.680 18349 6407 1 20 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.845 -0.044 18349 6408 1 20 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.420 0.236 18349 6409 1 20 . 1 1 53 53 CYS CB C 53 28.954 28.954 30.681 -1.727 18349 6410 1 20 . 1 1 54 54 ASP N N 54 131.027 131.027 126.639 4.388 18349 6411 1 20 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.383 -0.027 18349 6412 1 20 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.678 0.111 18349 6413 1 20 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.523 -0.681 18349 6414 1 20 . 1 1 55 55 GLY N N 55 104.172 104.172 104.628 -0.456 18349 6415 1 20 . 1 1 55 55 GLY CA C 55 45.685 45.685 45.035 0.650 18349 6416 1 20 . 1 1 56 56 GLU N N 56 120.557 120.557 118.940 1.617 18349 6417 1 20 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.701 -0.062 18349 6418 1 20 . 1 1 56 56 GLU CA C 56 54.069 54.069 53.805 0.264 18349 6419 1 20 . 1 1 56 56 GLU CB C 56 33.498 33.498 32.154 1.344 18349 6420 1 20 . 1 1 57 57 ILE N N 57 123.029 123.029 121.793 1.236 18349 6421 1 20 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.391 -0.035 18349 6422 1 20 . 1 1 57 57 ILE CA C 57 59.809 59.809 60.027 -0.218 18349 6423 1 20 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.179 -0.303 18349 6424 1 20 . 1 1 58 58 LYS N N 58 130.275 130.275 129.731 0.544 18349 6425 1 20 . 1 1 58 58 LYS HA H 58 4.190 4.190 3.982 0.208 18349 6426 1 20 . 1 1 58 58 LYS CA C 58 52.259 52.259 52.751 -0.492 18349 6427 1 20 . 1 1 58 58 LYS CB C 58 33.114 33.114 30.289 2.825 18349 6428 1 20 . 1 1 59 59 THR N N 59 112.811 112.811 118.147 -5.336 18349 6429 1 20 . 1 1 59 59 THR HA H 59 5.100 5.100 4.152 0.948 18349 6430 1 20 . 1 1 59 59 THR CA C 59 60.409 60.409 62.463 -2.054 18349 6431 1 20 . 1 1 59 59 THR CB C 59 70.886 70.886 68.236 2.650 18349 6432 1 20 . 1 1 60 60 PHE N N 60 121.789 121.789 127.796 -6.007 18349 6433 1 20 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.782 -0.014 18349 6434 1 20 . 1 1 60 60 PHE CA C 60 57.623 57.623 56.589 1.034 18349 6435 1 20 . 1 1 60 60 PHE CB C 60 44.138 44.138 40.723 3.415 18349 6436 1 20 . 1 1 61 61 SER N N 61 116.498 116.498 118.002 -1.504 18349 6437 1 20 . 1 1 61 61 SER HA H 61 4.876 4.876 4.483 0.393 18349 6438 1 20 . 1 1 61 61 SER CA C 61 58.232 58.232 59.653 -1.421 18349 6439 1 20 . 1 1 61 61 SER CB C 61 64.611 64.611 63.854 0.757 18349 6440 1 20 . 1 1 62 62 ASP N N 62 117.813 117.813 121.634 -3.821 18349 6441 1 20 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.779 0.297 18349 6442 1 20 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.097 0.148 18349 6443 1 20 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.150 2.025 18349 6444 1 20 . 1 1 63 63 LEU N N 63 122.385 122.385 126.355 -3.970 18349 6445 1 20 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.187 -0.364 18349 6446 1 20 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.090 -0.272 18349 6447 1 20 . 1 1 63 63 LEU CB C 63 41.975 41.975 41.850 0.125 18349 6448 1 20 . 1 1 64 64 GLN N N 64 121.981 121.981 119.597 2.384 18349 6449 1 20 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.007 0.003 18349 6450 1 20 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.158 0.221 18349 6451 1 20 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.364 -0.769 18349 6452 1 20 . 1 1 65 65 SER N N 65 118.758 118.758 115.707 3.051 18349 6453 1 20 . 1 1 65 65 SER HA H 65 4.220 4.220 4.164 0.056 18349 6454 1 20 . 1 1 65 65 SER CA C 65 62.205 62.205 61.555 0.650 18349 6455 1 20 . 1 1 65 65 SER CB C 65 62.355 62.355 62.701 -0.346 18349 6456 1 20 . 1 1 66 66 LEU N N 66 125.879 125.879 123.915 1.964 18349 6457 1 20 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.396 -0.215 18349 6458 1 20 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.255 0.884 18349 6459 1 20 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.416 -0.147 18349 6460 1 20 . 1 1 67 67 ARG N N 67 121.270 121.270 119.452 1.818 18349 6461 1 20 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.844 -0.233 18349 6462 1 20 . 1 1 67 67 ARG CA C 67 59.995 59.995 59.841 0.154 18349 6463 1 20 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.816 0.009 18349 6464 1 20 . 1 1 68 68 LYS N N 68 120.624 120.624 118.738 1.886 18349 6465 1 20 . 1 1 68 68 LYS HA H 68 3.951 3.951 3.997 -0.046 18349 6466 1 20 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.277 0.205 18349 6467 1 20 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.003 0.290 18349 6468 1 20 . 1 1 69 69 PHE N N 69 122.104 122.104 119.642 2.462 18349 6469 1 20 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.233 0.023 18349 6470 1 20 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.586 0.629 18349 6471 1 20 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.124 1.047 18349 6472 1 20 . 1 1 70 70 ALA N N 70 121.297 121.297 120.911 0.386 18349 6473 1 20 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.937 -0.205 18349 6474 1 20 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.796 -0.341 18349 6475 1 20 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.044 0.653 18349 6476 1 20 . 1 1 71 71 SER N N 71 109.734 109.734 113.345 -3.611 18349 6477 1 20 . 1 1 71 71 SER HA H 71 3.948 3.948 4.159 -0.211 18349 6478 1 20 . 1 1 71 71 SER CA C 71 60.995 60.995 61.983 -0.988 18349 6479 1 20 . 1 1 71 71 SER CB C 71 63.451 63.451 63.308 0.143 18349 6480 1 20 . 1 1 72 72 GLN N N 72 118.485 118.485 117.114 1.371 18349 6481 1 20 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.352 -0.045 18349 6482 1 20 . 1 1 72 72 GLN CA C 72 55.144 55.144 55.371 -0.227 18349 6483 1 20 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.206 0.413 18349 6484 1 20 . 1 1 73 73 LYS N N 73 121.680 121.680 122.488 -0.808 18349 6485 1 20 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.328 0.269 18349 6486 1 20 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.777 -1.558 18349 6487 1 20 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.839 0.304 18349 6488 1 20 . 1 1 74 74 SER CA C 74 62.000 62.000 61.881 0.119 18349 6489 1 20 . 1 1 74 74 SER CB C 74 62.392 62.392 62.982 -0.590 18349 6490 1 20 . 1 1 75 75 SER N N 75 115.269 115.269 117.081 -1.812 18349 6491 1 20 . 1 1 75 75 SER HA H 75 4.299 4.299 4.313 -0.014 18349 6492 1 20 . 1 1 75 75 SER CA C 75 59.939 59.939 61.272 -1.333 18349 6493 1 20 . 1 1 75 75 SER CB C 75 62.592 62.592 63.038 -0.445 18349 6494 1 20 . 1 1 76 76 MET N N 76 119.989 119.989 121.150 -1.161 18349 6495 1 20 . 1 1 76 76 MET HA H 76 4.338 4.338 4.404 -0.066 18349 6496 1 20 . 1 1 76 76 MET CA C 76 57.159 57.159 58.145 -0.986 18349 6497 1 20 . 1 1 76 76 MET CB C 76 34.819 34.819 32.045 2.774 18349 6498 1 20 . 1 1 77 77 LYS N N 77 121.432 121.432 120.791 0.641 18349 6499 1 20 . 1 1 77 77 LYS HA H 77 3.613 3.613 3.977 -0.364 18349 6500 1 20 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.456 0.677 18349 6501 1 20 . 1 1 77 77 LYS CB C 77 32.259 32.259 31.999 0.260 18349 6502 1 20 . 1 1 78 78 GLU N N 78 117.200 117.200 117.317 -0.117 18349 6503 1 20 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.192 -0.063 18349 6504 1 20 . 1 1 78 78 GLU CA C 78 57.530 57.530 57.777 -0.247 18349 6505 1 20 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.509 0.016 18349 6506 1 20 . 1 1 79 79 LEU N N 79 119.315 119.315 119.386 -0.071 18349 6507 1 20 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.176 -0.152 18349 6508 1 20 . 1 1 79 79 LEU CA C 79 57.082 57.082 57.561 -0.479 18349 6509 1 20 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.426 0.445 18349 6510 1 20 . 1 1 80 80 LEU N N 80 114.760 114.760 118.061 -3.301 18349 6511 1 20 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.233 0.063 18349 6512 1 20 . 1 1 80 80 LEU CA C 80 53.874 53.874 56.023 -2.149 18349 6513 1 20 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.648 1.060 18349 6514 1 20 . 1 1 81 81 LYS N N 81 120.468 120.468 118.275 2.193 18349 6515 1 20 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.250 -0.338 18349 6516 1 20 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.598 0.603 18349 6517 1 20 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.620 0.789 18349 6518 1 20 . 1 1 82 82 ASP N N 82 118.031 118.031 119.042 -1.011 18349 6519 1 20 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.440 0.253 18349 6520 1 20 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.644 -1.526 18349 6521 1 20 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.288 0.157 18349 6522 1 20 . 1 1 83 83 VAL N N 83 115.842 115.842 118.685 -2.843 18349 6523 1 20 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.123 0.069 18349 6524 1 20 . 1 1 83 83 VAL CA C 83 61.812 61.812 63.309 -1.497 18349 6525 1 20 . 1 1 83 83 VAL CB C 83 32.753 32.753 33.512 -0.759 18349 6526 1 20 . 1 1 84 84 LEU N N 84 123.084 123.084 123.017 0.067 18349 6527 1 20 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.748 -0.206 18349 6528 1 20 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.160 -0.122 18349 6529 1 20 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.129 0.011 18349 6530 1 20 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.413 -0.077 18349 6531 1 20 . 1 1 85 85 PRO CA C 85 62.853 62.853 62.960 -0.107 18349 6532 1 20 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.909 0.269 18349 6533 1 20 . 1 1 86 86 GLN N N 86 121.533 121.533 122.780 -1.247 18349 6534 1 20 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.462 -0.318 18349 6535 1 20 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.433 1.256 18349 6536 1 20 . 1 1 86 86 GLN CB C 86 29.618 29.618 29.893 -0.275 18349 6537 1 20 . 1 1 87 87 LYS N N 87 123.688 123.688 119.596 4.092 18349 6538 1 20 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.364 -0.118 18349 6539 1 20 . 1 1 87 87 LYS CA C 87 56.241 56.241 56.511 -0.270 18349 6540 1 20 . 1 1 87 87 LYS CB C 87 33.528 33.528 33.205 0.323 18349 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 78 2.437 0.279 2.436 18349 2 1 1 "Average Difference" HA 83 0.328 0.015 0.329 18349 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18349 4 1 1 "Average Difference" CA 85 1.420 -0.026 1.429 18349 5 1 1 "Average Difference" CB 83 1.642 -0.520 1.567 18349 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18349 7 1 2 "Average Difference" N 78 2.968 0.540 2.937 18349 8 1 2 "Average Difference" HA 83 0.398 -0.036 0.398 18349 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18349 10 1 2 "Average Difference" CA 85 1.466 0.023 1.475 18349 11 1 2 "Average Difference" CB 83 1.659 -0.785 1.471 18349 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18349 13 1 3 "Average Difference" N 78 3.047 -0.368 3.044 18349 14 1 3 "Average Difference" HA 83 0.403 -0.002 0.406 18349 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18349 16 1 3 "Average Difference" CA 85 1.717 -0.053 1.727 18349 17 1 3 "Average Difference" CB 83 1.782 -0.546 1.707 18349 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18349 19 1 4 "Average Difference" N 78 3.123 -0.088 3.142 18349 20 1 4 "Average Difference" HA 83 0.347 -0.016 0.349 18349 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18349 22 1 4 "Average Difference" CA 85 1.449 0.094 1.454 18349 23 1 4 "Average Difference" CB 83 1.522 -0.590 1.411 18349 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18349 25 1 5 "Average Difference" N 78 2.737 0.383 2.727 18349 26 1 5 "Average Difference" HA 83 0.397 -0.057 0.395 18349 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18349 28 1 5 "Average Difference" CA 85 1.442 -0.057 1.450 18349 29 1 5 "Average Difference" CB 83 1.681 -0.816 1.479 18349 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18349 31 1 6 "Average Difference" N 78 3.288 0.256 3.299 18349 32 1 6 "Average Difference" HA 83 0.383 -0.050 0.382 18349 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18349 34 1 6 "Average Difference" CA 85 1.684 -0.061 1.693 18349 35 1 6 "Average Difference" CB 83 1.747 -0.617 1.645 18349 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18349 37 1 7 "Average Difference" N 78 2.885 0.353 2.882 18349 38 1 7 "Average Difference" HA 83 0.386 -0.019 0.388 18349 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18349 40 1 7 "Average Difference" CA 85 1.447 -0.164 1.446 18349 41 1 7 "Average Difference" CB 83 1.742 -0.671 1.617 18349 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18349 43 1 8 "Average Difference" N 78 3.082 -0.260 3.091 18349 44 1 8 "Average Difference" HA 83 0.393 -0.046 0.392 18349 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18349 46 1 8 "Average Difference" CA 85 1.551 -0.013 1.561 18349 47 1 8 "Average Difference" CB 83 1.702 -0.614 1.597 18349 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18349 49 1 9 "Average Difference" N 78 2.984 0.141 3.000 18349 50 1 9 "Average Difference" HA 83 0.365 0.000 0.367 18349 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18349 52 1 9 "Average Difference" CA 85 1.603 -0.039 1.612 18349 53 1 9 "Average Difference" CB 83 1.621 -0.575 1.525 18349 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18349 55 1 10 "Average Difference" N 78 3.550 -0.177 3.568 18349 56 1 10 "Average Difference" HA 83 0.396 -0.009 0.398 18349 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18349 58 1 10 "Average Difference" CA 85 1.624 -0.126 1.629 18349 59 1 10 "Average Difference" CB 83 1.808 -0.591 1.720 18349 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18349 61 1 11 "Average Difference" N 78 2.838 0.423 2.824 18349 62 1 11 "Average Difference" HA 83 0.382 -0.039 0.382 18349 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18349 64 1 11 "Average Difference" CA 85 1.597 0.098 1.603 18349 65 1 11 "Average Difference" CB 83 1.728 -0.733 1.575 18349 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18349 67 1 12 "Average Difference" N 78 2.960 0.193 2.973 18349 68 1 12 "Average Difference" HA 83 0.339 0.041 0.339 18349 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18349 70 1 12 "Average Difference" CA 85 1.518 0.009 1.527 18349 71 1 12 "Average Difference" CB 83 1.529 -0.544 1.438 18349 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18349 73 1 13 "Average Difference" N 78 3.027 0.285 3.033 18349 74 1 13 "Average Difference" HA 83 0.358 0.005 0.360 18349 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18349 76 1 13 "Average Difference" CA 85 1.745 -0.016 1.755 18349 77 1 13 "Average Difference" CB 83 1.610 -0.576 1.513 18349 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18349 79 1 14 "Average Difference" N 78 3.181 -0.028 3.202 18349 80 1 14 "Average Difference" HA 83 0.357 0.001 0.359 18349 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18349 82 1 14 "Average Difference" CA 85 1.580 0.009 1.589 18349 83 1 14 "Average Difference" CB 83 1.688 -0.613 1.582 18349 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18349 85 1 15 "Average Difference" N 78 3.204 -0.086 3.224 18349 86 1 15 "Average Difference" HA 83 0.435 -0.043 0.436 18349 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18349 88 1 15 "Average Difference" CA 85 1.733 0.041 1.743 18349 89 1 15 "Average Difference" CB 83 1.741 -0.729 1.590 18349 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18349 91 1 16 "Average Difference" N 78 3.605 0.068 3.628 18349 92 1 16 "Average Difference" HA 83 0.415 -0.006 0.418 18349 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18349 94 1 16 "Average Difference" CA 85 1.555 0.080 1.562 18349 95 1 16 "Average Difference" CB 83 1.760 -0.633 1.652 18349 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18349 97 1 17 "Average Difference" N 78 2.982 0.628 2.934 18349 98 1 17 "Average Difference" HA 83 0.400 -0.034 0.401 18349 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18349 100 1 17 "Average Difference" CA 85 1.563 0.012 1.572 18349 101 1 17 "Average Difference" CB 83 1.780 -0.691 1.650 18349 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18349 103 1 18 "Average Difference" N 78 3.083 0.111 3.101 18349 104 1 18 "Average Difference" HA 83 0.395 -0.029 0.396 18349 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18349 106 1 18 "Average Difference" CA 85 1.739 0.021 1.749 18349 107 1 18 "Average Difference" CB 83 1.794 -0.658 1.679 18349 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18349 109 1 19 "Average Difference" N 78 3.647 0.057 3.670 18349 110 1 19 "Average Difference" HA 83 0.357 0.032 0.358 18349 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18349 112 1 19 "Average Difference" CA 85 1.774 -0.071 1.783 18349 113 1 19 "Average Difference" CB 83 1.707 -0.488 1.645 18349 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18349 115 1 20 "Average Difference" N 78 2.989 0.236 2.999 18349 116 1 20 "Average Difference" HA 83 0.387 -0.049 0.387 18349 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18349 118 1 20 "Average Difference" CA 85 1.447 0.013 1.455 18349 119 1 20 "Average Difference" CB 83 1.866 -0.746 1.720 18349 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18349 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 18349 _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 3 3 LEU HA H 3 4.251 4.251 4.587 -0.336 18349 2 1 . 1 1 3 3 LEU CA C 3 55.335 55.335 54.534 0.801 18349 3 1 . 1 1 3 3 LEU CB C 3 42.301 42.301 42.474 -0.173 18349 4 1 . 1 1 4 4 MET N N 4 121.761 121.761 121.252 0.509 18349 5 1 . 1 1 4 4 MET HA H 4 4.422 4.422 4.511 -0.089 18349 6 1 . 1 1 4 4 MET CA C 4 55.404 55.404 55.105 0.299 18349 7 1 . 1 1 4 4 MET CB C 4 33.059 33.059 32.050 1.009 18349 8 1 . 1 1 5 5 ASP N N 5 122.449 122.449 122.422 0.027 18349 9 1 . 1 1 5 5 ASP HA H 5 4.579 4.579 4.704 -0.125 18349 10 1 . 1 1 5 5 ASP CA C 5 54.696 54.696 54.058 0.638 18349 11 1 . 1 1 5 5 ASP CB C 5 41.307 41.307 41.979 -0.672 18349 12 1 . 1 1 6 6 GLU N N 6 121.856 121.856 122.669 -0.813 18349 13 1 . 1 1 6 6 GLU HA H 6 4.274 4.274 4.519 -0.245 18349 14 1 . 1 1 6 6 GLU CA C 6 56.907 56.907 55.936 0.971 18349 15 1 . 1 1 6 6 GLU CB C 6 30.047 30.047 30.430 -0.383 18349 16 1 . 1 1 7 7 GLY N N 7 110.268 110.268 110.471 -0.203 18349 17 1 . 1 1 7 7 GLY CA C 7 45.538 45.538 44.929 0.609 18349 18 1 . 1 1 8 8 ALA N N 8 123.141 123.141 123.823 -0.682 18349 19 1 . 1 1 8 8 ALA HA H 8 4.523 4.523 4.586 -0.063 18349 20 1 . 1 1 8 8 ALA CA C 8 51.850 51.850 51.692 0.158 18349 21 1 . 1 1 8 8 ALA CB C 8 20.732 20.732 19.873 0.859 18349 22 1 . 1 1 9 9 VAL N N 9 120.521 120.521 121.812 -1.291 18349 23 1 . 1 1 9 9 VAL HA H 9 4.219 4.219 4.276 -0.057 18349 24 1 . 1 1 9 9 VAL CA C 9 61.901 61.901 62.001 -0.100 18349 25 1 . 1 1 9 9 VAL CB C 9 33.936 33.936 32.546 1.390 18349 26 1 . 1 1 10 10 LEU N N 10 128.790 128.790 125.628 3.162 18349 27 1 . 1 1 10 10 LEU HA H 10 4.659 4.659 4.608 0.051 18349 28 1 . 1 1 10 10 LEU CA C 10 54.202 54.202 54.671 -0.469 18349 29 1 . 1 1 10 10 LEU CB C 10 43.815 43.815 42.335 1.480 18349 30 1 . 1 1 11 11 THR HA H 11 5.349 5.349 4.475 0.874 18349 31 1 . 1 1 11 11 THR CA C 11 60.386 60.386 61.967 -1.581 18349 32 1 . 1 1 11 11 THR CB C 11 72.001 72.001 69.592 2.409 18349 33 1 . 1 1 12 12 LEU HA H 12 4.461 4.461 4.592 -0.131 18349 34 1 . 1 1 12 12 LEU CA C 12 54.421 54.421 54.375 0.046 18349 35 1 . 1 1 12 12 LEU CB C 12 43.433 43.433 43.374 0.059 18349 36 1 . 1 1 13 13 ALA N N 13 125.942 125.942 126.731 -0.789 18349 37 1 . 1 1 13 13 ALA HA H 13 4.311 4.311 4.390 -0.079 18349 38 1 . 1 1 13 13 ALA CA C 13 51.973 51.973 51.986 -0.013 18349 39 1 . 1 1 13 13 ALA CB C 13 20.258 20.258 19.765 0.493 18349 40 1 . 1 1 14 14 ALA N N 14 125.619 125.619 123.836 1.783 18349 41 1 . 1 1 14 14 ALA HA H 14 4.121 4.121 4.171 -0.050 18349 42 1 . 1 1 14 14 ALA CA C 14 54.677 54.677 53.162 1.515 18349 43 1 . 1 1 14 14 ALA CB C 14 18.366 18.366 18.535 -0.169 18349 44 1 . 1 1 15 15 ASP N N 15 114.584 114.584 119.635 -5.051 18349 45 1 . 1 1 15 15 ASP HA H 15 4.482 4.482 4.464 0.018 18349 46 1 . 1 1 15 15 ASP CA C 15 52.858 52.858 55.441 -2.583 18349 47 1 . 1 1 15 15 ASP CB C 15 40.064 40.064 40.354 -0.290 18349 48 1 . 1 1 16 16 LEU N N 16 115.700 115.700 119.738 -4.038 18349 49 1 . 1 1 16 16 LEU HA H 16 3.667 3.667 4.340 -0.673 18349 50 1 . 1 1 16 16 LEU CA C 16 56.389 56.389 55.523 0.866 18349 51 1 . 1 1 16 16 LEU CB C 16 40.261 40.261 42.134 -1.873 18349 52 1 . 1 1 17 17 SER N N 17 112.160 112.160 114.504 -2.344 18349 53 1 . 1 1 17 17 SER HA H 17 4.389 4.389 4.404 -0.015 18349 54 1 . 1 1 17 17 SER CA C 17 59.732 59.732 59.047 0.685 18349 55 1 . 1 1 17 17 SER CB C 17 64.092 64.092 63.391 0.701 18349 56 1 . 1 1 18 18 SER N N 18 114.973 114.973 117.896 -2.923 18349 57 1 . 1 1 18 18 SER HA H 18 5.024 5.024 4.470 0.554 18349 58 1 . 1 1 18 18 SER CA C 18 56.996 56.996 58.352 -1.356 18349 59 1 . 1 1 18 18 SER CB C 18 65.549 65.549 63.332 2.217 18349 60 1 . 1 1 19 19 ALA N N 19 122.800 122.800 127.307 -4.507 18349 61 1 . 1 1 19 19 ALA HA H 19 4.993 4.993 4.513 0.480 18349 62 1 . 1 1 19 19 ALA CA C 19 50.637 50.637 52.008 -1.371 18349 63 1 . 1 1 19 19 ALA CB C 19 23.521 23.521 19.714 3.807 18349 64 1 . 1 1 20 20 THR N N 20 115.578 115.578 116.657 -1.079 18349 65 1 . 1 1 20 20 THR HA H 20 5.016 5.016 4.454 0.562 18349 66 1 . 1 1 20 20 THR CA C 20 61.219 61.219 62.261 -1.042 18349 67 1 . 1 1 20 20 THR CB C 20 71.159 71.159 69.377 1.782 18349 68 1 . 1 1 21 21 LEU N N 21 126.796 126.796 125.071 1.725 18349 69 1 . 1 1 21 21 LEU HA H 21 4.721 4.721 4.548 0.173 18349 70 1 . 1 1 21 21 LEU CA C 21 53.679 53.679 54.612 -0.933 18349 71 1 . 1 1 21 21 LEU CB C 21 44.900 44.900 42.777 2.123 18349 72 1 . 1 1 22 22 ASP N N 22 124.700 124.700 122.362 2.338 18349 73 1 . 1 1 22 22 ASP HA H 22 4.757 4.757 4.696 0.062 18349 74 1 . 1 1 22 22 ASP CA C 22 54.017 54.017 53.841 0.176 18349 75 1 . 1 1 22 22 ASP CB C 22 41.983 41.983 42.517 -0.534 18349 76 1 . 1 1 23 23 ILE N N 23 124.629 124.629 121.622 3.007 18349 77 1 . 1 1 23 23 ILE HA H 23 4.031 4.031 4.299 -0.268 18349 78 1 . 1 1 23 23 ILE CA C 23 59.629 59.629 61.122 -1.493 18349 79 1 . 1 1 23 23 ILE CB C 23 38.062 38.062 39.349 -1.287 18349 80 1 . 1 1 24 24 SER N N 24 125.361 125.361 121.562 3.799 18349 81 1 . 1 1 24 24 SER HA H 24 4.398 4.398 4.606 -0.208 18349 82 1 . 1 1 24 24 SER CA C 24 58.184 58.184 58.166 0.018 18349 83 1 . 1 1 24 24 SER CB C 24 64.557 64.557 64.089 0.468 18349 84 1 . 1 1 25 25 LYS N N 25 124.630 124.630 122.650 1.980 18349 85 1 . 1 1 25 25 LYS HA H 25 4.181 4.181 4.379 -0.198 18349 86 1 . 1 1 25 25 LYS CA C 25 58.427 58.427 55.904 2.523 18349 87 1 . 1 1 25 25 LYS CB C 25 32.042 32.042 32.236 -0.194 18349 88 1 . 1 1 26 26 GLN N N 26 117.379 117.379 120.076 -2.697 18349 89 1 . 1 1 26 26 GLN HA H 26 4.066 4.066 4.329 -0.263 18349 90 1 . 1 1 26 26 GLN CA C 26 59.321 59.321 55.712 3.609 18349 91 1 . 1 1 26 26 GLN CB C 26 28.773 28.773 28.564 0.209 18349 92 1 . 1 1 27 27 TRP N N 27 118.412 118.412 123.815 -5.403 18349 93 1 . 1 1 27 27 TRP HA H 27 4.561 4.561 4.769 -0.208 18349 94 1 . 1 1 27 27 TRP CA C 27 60.228 60.228 57.104 3.124 18349 95 1 . 1 1 27 27 TRP CB C 27 30.121 30.121 29.646 0.475 18349 96 1 . 1 1 28 28 SER N N 28 117.604 117.604 116.253 1.351 18349 97 1 . 1 1 28 28 SER HA H 28 4.009 4.009 4.418 -0.409 18349 98 1 . 1 1 28 28 SER CA C 28 62.130 62.130 58.788 3.342 18349 99 1 . 1 1 28 28 SER CB C 28 62.273 62.273 63.036 -0.763 18349 100 1 . 1 1 29 29 ASN N N 29 121.383 121.383 120.053 1.330 18349 101 1 . 1 1 29 29 ASN HA H 29 4.595 4.595 4.598 -0.003 18349 102 1 . 1 1 29 29 ASN CA C 29 55.824 55.824 53.379 2.445 18349 103 1 . 1 1 29 29 ASN CB C 29 38.163 38.163 38.142 0.021 18349 104 1 . 1 1 30 30 VAL CA C 30 56.222 56.222 63.394 -7.172 18349 105 1 . 1 1 30 30 VAL CB C 30 29.494 29.494 31.819 -2.325 18349 106 1 . 1 1 31 31 PHE N N 31 121.135 121.135 117.397 3.738 18349 107 1 . 1 1 31 31 PHE HA H 31 3.517 3.517 4.394 -0.877 18349 108 1 . 1 1 31 31 PHE CA C 31 62.835 62.835 57.743 5.092 18349 109 1 . 1 1 31 31 PHE CB C 31 40.156 40.156 37.652 2.504 18349 110 1 . 1 1 32 32 ASN N N 32 117.099 117.099 119.928 -2.829 18349 111 1 . 1 1 32 32 ASN HA H 32 4.368 4.368 4.286 0.082 18349 112 1 . 1 1 32 32 ASN CA C 32 57.015 57.015 56.383 0.632 18349 113 1 . 1 1 32 32 ASN CB C 32 38.839 38.839 38.465 0.374 18349 114 1 . 1 1 33 33 ILE N N 33 120.541 120.541 119.091 1.450 18349 115 1 . 1 1 33 33 ILE HA H 33 3.789 3.789 3.807 -0.018 18349 116 1 . 1 1 33 33 ILE CA C 33 64.520 64.520 63.995 0.525 18349 117 1 . 1 1 33 33 ILE CB C 33 38.339 38.339 37.122 1.217 18349 118 1 . 1 1 34 34 LEU N N 34 121.099 121.099 118.885 2.214 18349 119 1 . 1 1 34 34 LEU HA H 34 3.858 3.858 3.789 0.069 18349 120 1 . 1 1 34 34 LEU CA C 34 57.819 57.819 57.795 0.024 18349 121 1 . 1 1 34 34 LEU CB C 34 40.665 40.665 41.143 -0.478 18349 122 1 . 1 1 35 35 ARG N N 35 122.638 122.638 119.822 2.816 18349 123 1 . 1 1 35 35 ARG HA H 35 3.856 3.856 4.112 -0.256 18349 124 1 . 1 1 35 35 ARG CA C 35 59.121 59.121 59.343 -0.222 18349 125 1 . 1 1 35 35 ARG CB C 35 29.849 29.849 30.122 -0.273 18349 126 1 . 1 1 36 36 GLU N N 36 120.533 120.533 118.992 1.541 18349 127 1 . 1 1 36 36 GLU HA H 36 4.110 4.110 4.196 -0.086 18349 128 1 . 1 1 36 36 GLU CA C 36 58.210 58.210 58.576 -0.366 18349 129 1 . 1 1 36 36 GLU CB C 36 29.729 29.729 29.451 0.278 18349 130 1 . 1 1 37 37 ASN N N 37 115.321 115.321 115.246 0.075 18349 131 1 . 1 1 37 37 ASN HA H 37 4.838 4.838 4.896 -0.058 18349 132 1 . 1 1 37 37 ASN CA C 37 53.744 53.744 53.474 0.270 18349 133 1 . 1 1 37 37 ASN CB C 37 40.546 40.546 39.257 1.289 18349 134 1 . 1 1 38 38 ASP N N 38 111.921 111.921 117.896 -5.975 18349 135 1 . 1 1 38 38 ASP HA H 38 4.685 4.685 4.466 0.219 18349 136 1 . 1 1 38 38 ASP CA C 38 56.511 56.511 55.350 1.161 18349 137 1 . 1 1 38 38 ASP CB C 38 38.202 38.202 39.178 -0.976 18349 138 1 . 1 1 39 39 PHE N N 39 114.378 114.378 118.618 -4.240 18349 139 1 . 1 1 39 39 PHE HA H 39 4.584 4.584 4.497 0.087 18349 140 1 . 1 1 39 39 PHE CA C 39 59.418 59.418 57.688 1.731 18349 141 1 . 1 1 39 39 PHE CB C 39 38.965 38.965 39.564 -0.599 18349 142 1 . 1 1 40 40 GLU N N 40 115.531 115.531 118.978 -3.447 18349 143 1 . 1 1 40 40 GLU HA H 40 3.908 3.908 4.166 -0.258 18349 144 1 . 1 1 40 40 GLU CA C 40 56.255 56.255 56.023 0.232 18349 145 1 . 1 1 40 40 GLU CB C 40 28.726 28.726 28.881 -0.155 18349 146 1 . 1 1 41 41 PRO HA H 41 5.293 5.293 4.578 0.715 18349 147 1 . 1 1 41 41 PRO CA C 41 61.899 61.899 62.639 -0.739 18349 148 1 . 1 1 41 41 PRO CB C 41 33.151 33.151 32.493 0.658 18349 149 1 . 1 1 42 42 LYS N N 42 118.255 118.255 120.299 -2.044 18349 150 1 . 1 1 42 42 LYS HA H 42 4.700 4.700 4.458 0.242 18349 151 1 . 1 1 42 42 LYS CA C 42 55.476 55.476 55.772 -0.296 18349 152 1 . 1 1 42 42 LYS CB C 42 36.723 36.723 33.428 3.295 18349 153 1 . 1 1 43 43 PHE N N 43 122.245 122.245 119.922 2.323 18349 154 1 . 1 1 43 43 PHE HA H 43 5.445 5.445 4.493 0.952 18349 155 1 . 1 1 43 43 PHE CA C 43 57.496 57.496 57.547 -0.051 18349 156 1 . 1 1 43 43 PHE CB C 43 41.129 41.129 39.485 1.644 18349 157 1 . 1 1 44 44 LEU N N 44 124.272 124.272 124.436 -0.164 18349 158 1 . 1 1 44 44 LEU HA H 44 4.813 4.813 4.364 0.449 18349 159 1 . 1 1 44 44 LEU CA C 44 53.210 53.210 54.604 -1.394 18349 160 1 . 1 1 44 44 LEU CB C 44 44.365 44.365 41.487 2.878 18349 161 1 . 1 1 45 45 CYS N N 45 120.218 120.218 122.970 -2.752 18349 162 1 . 1 1 45 45 CYS HA H 45 5.190 5.190 4.462 0.728 18349 163 1 . 1 1 45 45 CYS CA C 45 56.881 56.881 58.235 -1.354 18349 164 1 . 1 1 45 45 CYS CB C 45 30.509 30.509 28.475 2.034 18349 165 1 . 1 1 46 46 GLU N N 46 127.444 127.444 124.499 2.946 18349 166 1 . 1 1 46 46 GLU HA H 46 4.602 4.602 4.407 0.195 18349 167 1 . 1 1 46 46 GLU CA C 46 55.198 55.198 56.021 -0.823 18349 168 1 . 1 1 46 46 GLU CB C 46 32.378 32.378 29.118 3.260 18349 169 1 . 1 1 47 47 VAL N N 47 126.664 126.664 121.698 4.966 18349 170 1 . 1 1 47 47 VAL HA H 47 4.732 4.732 4.169 0.563 18349 171 1 . 1 1 47 47 VAL CA C 47 61.110 61.110 61.986 -0.876 18349 172 1 . 1 1 47 47 VAL CB C 47 33.464 33.464 32.569 0.895 18349 173 1 . 1 1 48 48 LYS N N 48 124.434 124.434 123.507 0.927 18349 174 1 . 1 1 48 48 LYS HA H 48 4.867 4.867 4.650 0.217 18349 175 1 . 1 1 48 48 LYS CA C 48 54.152 54.152 54.771 -0.619 18349 176 1 . 1 1 48 48 LYS CB C 48 36.771 36.771 33.263 3.508 18349 177 1 . 1 1 49 49 LEU N N 49 124.048 124.048 124.441 -0.393 18349 178 1 . 1 1 49 49 LEU HA H 49 4.911 4.911 4.444 0.467 18349 179 1 . 1 1 49 49 LEU CA C 49 53.967 53.967 54.623 -0.656 18349 180 1 . 1 1 49 49 LEU CB C 49 45.981 45.981 41.349 4.632 18349 181 1 . 1 1 50 50 ALA N N 50 130.149 130.149 127.364 2.785 18349 182 1 . 1 1 50 50 ALA HA H 50 5.840 5.840 4.566 1.274 18349 183 1 . 1 1 50 50 ALA CA C 50 49.275 49.275 51.151 -1.875 18349 184 1 . 1 1 50 50 ALA CB C 50 23.034 23.034 18.016 5.018 18349 185 1 . 1 1 51 51 PHE N N 51 115.001 115.001 120.222 -5.221 18349 186 1 . 1 1 51 51 PHE HA H 51 4.811 4.811 4.941 -0.130 18349 187 1 . 1 1 51 51 PHE CA C 51 56.735 56.735 55.366 1.369 18349 188 1 . 1 1 51 51 PHE CB C 51 39.262 39.262 40.811 -1.549 18349 189 1 . 1 1 52 52 LYS N N 52 122.139 122.139 122.110 0.029 18349 190 1 . 1 1 52 52 LYS HA H 52 4.904 4.904 4.706 0.198 18349 191 1 . 1 1 52 52 LYS CA C 52 55.370 55.370 55.776 -0.406 18349 192 1 . 1 1 52 52 LYS CB C 52 34.075 34.075 33.048 1.027 18349 193 1 . 1 1 53 53 CYS N N 53 125.893 125.893 127.879 -1.986 18349 194 1 . 1 1 53 53 CYS HA H 53 4.801 4.801 4.799 0.002 18349 195 1 . 1 1 53 53 CYS CA C 53 58.656 58.656 58.342 0.314 18349 196 1 . 1 1 53 53 CYS CB C 53 28.954 28.954 29.138 -0.184 18349 197 1 . 1 1 54 54 ASP N N 54 131.027 131.027 127.355 3.672 18349 198 1 . 1 1 54 54 ASP HA H 54 4.356 4.356 4.382 -0.026 18349 199 1 . 1 1 54 54 ASP CA C 54 55.789 55.789 55.500 0.289 18349 200 1 . 1 1 54 54 ASP CB C 54 39.842 39.842 40.607 -0.765 18349 201 1 . 1 1 55 55 GLY N N 55 104.172 104.172 104.457 -0.285 18349 202 1 . 1 1 55 55 GLY CA C 55 45.685 45.685 44.972 0.713 18349 203 1 . 1 1 56 56 GLU N N 56 120.557 120.557 120.902 -0.345 18349 204 1 . 1 1 56 56 GLU HA H 56 4.639 4.639 4.652 -0.013 18349 205 1 . 1 1 56 56 GLU CA C 56 54.069 54.069 54.542 -0.473 18349 206 1 . 1 1 56 56 GLU CB C 56 33.498 33.498 31.288 2.210 18349 207 1 . 1 1 57 57 ILE N N 57 123.029 123.029 123.131 -0.102 18349 208 1 . 1 1 57 57 ILE HA H 57 4.356 4.356 4.481 -0.125 18349 209 1 . 1 1 57 57 ILE CA C 57 59.809 59.809 59.794 0.015 18349 210 1 . 1 1 57 57 ILE CB C 57 36.876 36.876 37.068 -0.192 18349 211 1 . 1 1 58 58 LYS N N 58 130.275 130.275 129.323 0.952 18349 212 1 . 1 1 58 58 LYS HA H 58 4.190 4.190 4.280 -0.090 18349 213 1 . 1 1 58 58 LYS CA C 58 52.259 52.259 53.166 -0.907 18349 214 1 . 1 1 58 58 LYS CB C 58 33.114 33.114 32.593 0.521 18349 215 1 . 1 1 59 59 THR N N 59 112.811 112.811 116.493 -3.682 18349 216 1 . 1 1 59 59 THR HA H 59 5.100 5.100 4.531 0.569 18349 217 1 . 1 1 59 59 THR CA C 59 60.409 60.409 61.382 -0.973 18349 218 1 . 1 1 59 59 THR CB C 59 70.886 70.886 68.634 2.252 18349 219 1 . 1 1 60 60 PHE N N 60 121.789 121.789 126.448 -4.659 18349 220 1 . 1 1 60 60 PHE HA H 60 4.768 4.768 4.774 -0.006 18349 221 1 . 1 1 60 60 PHE CA C 60 57.623 57.623 57.162 0.461 18349 222 1 . 1 1 60 60 PHE CB C 60 44.138 44.138 42.089 2.049 18349 223 1 . 1 1 61 61 SER N N 61 116.498 116.498 116.835 -0.337 18349 224 1 . 1 1 61 61 SER HA H 61 4.876 4.876 4.635 0.241 18349 225 1 . 1 1 61 61 SER CA C 61 58.232 58.232 58.359 -0.127 18349 226 1 . 1 1 61 61 SER CB C 61 64.611 64.611 64.315 0.296 18349 227 1 . 1 1 62 62 ASP N N 62 117.813 117.813 120.873 -3.060 18349 228 1 . 1 1 62 62 ASP HA H 62 5.076 5.076 4.809 0.267 18349 229 1 . 1 1 62 62 ASP CA C 62 53.246 53.246 53.312 -0.066 18349 230 1 . 1 1 62 62 ASP CB C 62 44.175 44.175 42.930 1.245 18349 231 1 . 1 1 63 63 LEU N N 63 122.385 122.385 123.931 -1.546 18349 232 1 . 1 1 63 63 LEU HA H 63 3.823 3.823 4.258 -0.435 18349 233 1 . 1 1 63 63 LEU CA C 63 56.818 56.818 57.104 -0.286 18349 234 1 . 1 1 63 63 LEU CB C 63 41.975 41.975 42.352 -0.377 18349 235 1 . 1 1 64 64 GLN N N 64 121.981 121.981 119.646 2.335 18349 236 1 . 1 1 64 64 GLN HA H 64 4.010 4.010 4.062 -0.052 18349 237 1 . 1 1 64 64 GLN CA C 64 59.379 59.379 59.107 0.272 18349 238 1 . 1 1 64 64 GLN CB C 64 27.595 27.595 28.412 -0.817 18349 239 1 . 1 1 65 65 SER N N 65 118.758 118.758 115.572 3.186 18349 240 1 . 1 1 65 65 SER HA H 65 4.220 4.220 4.275 -0.055 18349 241 1 . 1 1 65 65 SER CA C 65 62.205 62.205 61.669 0.536 18349 242 1 . 1 1 65 65 SER CB C 65 62.355 62.355 62.985 -0.630 18349 243 1 . 1 1 66 66 LEU N N 66 125.879 125.879 123.409 2.470 18349 244 1 . 1 1 66 66 LEU HA H 66 3.181 3.181 3.563 -0.382 18349 245 1 . 1 1 66 66 LEU CA C 66 58.139 58.139 57.116 1.023 18349 246 1 . 1 1 66 66 LEU CB C 66 41.269 41.269 41.407 -0.138 18349 247 1 . 1 1 67 67 ARG N N 67 121.270 121.270 119.458 1.812 18349 248 1 . 1 1 67 67 ARG HA H 67 3.611 3.611 3.878 -0.267 18349 249 1 . 1 1 67 67 ARG CA C 67 59.995 59.995 60.027 -0.033 18349 250 1 . 1 1 67 67 ARG CB C 67 29.825 29.825 29.988 -0.163 18349 251 1 . 1 1 68 68 LYS N N 68 120.624 120.624 118.377 2.247 18349 252 1 . 1 1 68 68 LYS HA H 68 3.951 3.951 4.061 -0.110 18349 253 1 . 1 1 68 68 LYS CA C 68 59.482 59.482 59.352 0.130 18349 254 1 . 1 1 68 68 LYS CB C 68 32.293 32.293 32.226 0.067 18349 255 1 . 1 1 69 69 PHE N N 69 122.104 122.104 120.231 1.873 18349 256 1 . 1 1 69 69 PHE HA H 69 4.256 4.256 4.367 -0.111 18349 257 1 . 1 1 69 69 PHE CA C 69 61.215 61.215 60.658 0.557 18349 258 1 . 1 1 69 69 PHE CB C 69 40.171 40.171 39.403 0.768 18349 259 1 . 1 1 70 70 ALA N N 70 121.297 121.297 120.614 0.683 18349 260 1 . 1 1 70 70 ALA HA H 70 3.732 3.732 3.964 -0.232 18349 261 1 . 1 1 70 70 ALA CA C 70 54.455 54.455 54.666 -0.211 18349 262 1 . 1 1 70 70 ALA CB C 70 18.697 18.697 18.215 0.482 18349 263 1 . 1 1 71 71 SER N N 71 109.734 109.734 112.460 -2.726 18349 264 1 . 1 1 71 71 SER HA H 71 3.948 3.948 4.191 -0.243 18349 265 1 . 1 1 71 71 SER CA C 71 60.995 60.995 60.920 0.075 18349 266 1 . 1 1 71 71 SER CB C 71 63.451 63.451 63.332 0.119 18349 267 1 . 1 1 72 72 GLN N N 72 118.485 118.485 117.267 1.218 18349 268 1 . 1 1 72 72 GLN HA H 72 4.307 4.307 4.287 0.019 18349 269 1 . 1 1 72 72 GLN CA C 72 55.144 55.144 56.019 -0.875 18349 270 1 . 1 1 72 72 GLN CB C 72 29.619 29.619 29.083 0.536 18349 271 1 . 1 1 73 73 LYS N N 73 121.680 121.680 121.861 -0.181 18349 272 1 . 1 1 73 73 LYS HA H 73 4.597 4.597 4.370 0.227 18349 273 1 . 1 1 73 73 LYS CA C 73 53.219 53.219 54.721 -1.502 18349 274 1 . 1 1 73 73 LYS CB C 73 33.143 33.143 32.624 0.519 18349 275 1 . 1 1 74 74 SER CA C 74 62.000 62.000 61.465 0.535 18349 276 1 . 1 1 74 74 SER CB C 74 62.392 62.392 63.097 -0.705 18349 277 1 . 1 1 75 75 SER N N 75 115.269 115.269 116.865 -1.596 18349 278 1 . 1 1 75 75 SER HA H 75 4.299 4.299 4.281 0.018 18349 279 1 . 1 1 75 75 SER CA C 75 59.939 59.939 60.764 -0.825 18349 280 1 . 1 1 75 75 SER CB C 75 62.592 62.592 63.003 -0.411 18349 281 1 . 1 1 76 76 MET N N 76 119.989 119.989 120.975 -0.986 18349 282 1 . 1 1 76 76 MET HA H 76 4.338 4.338 4.383 -0.045 18349 283 1 . 1 1 76 76 MET CA C 76 57.159 57.159 57.725 -0.566 18349 284 1 . 1 1 76 76 MET CB C 76 34.819 34.819 32.416 2.403 18349 285 1 . 1 1 77 77 LYS N N 77 121.432 121.432 120.405 1.027 18349 286 1 . 1 1 77 77 LYS HA H 77 3.613 3.613 4.038 -0.425 18349 287 1 . 1 1 77 77 LYS CA C 77 60.133 60.133 59.350 0.783 18349 288 1 . 1 1 77 77 LYS CB C 77 32.259 32.259 32.312 -0.053 18349 289 1 . 1 1 78 78 GLU N N 78 117.200 117.200 116.068 1.132 18349 290 1 . 1 1 78 78 GLU HA H 78 4.129 4.129 4.295 -0.166 18349 291 1 . 1 1 78 78 GLU CA C 78 57.530 57.530 56.744 0.787 18349 292 1 . 1 1 78 78 GLU CB C 78 29.525 29.525 29.733 -0.208 18349 293 1 . 1 1 79 79 LEU N N 79 119.315 119.315 119.261 0.054 18349 294 1 . 1 1 79 79 LEU HA H 79 4.024 4.024 4.260 -0.237 18349 295 1 . 1 1 79 79 LEU CA C 79 57.082 57.082 56.924 0.158 18349 296 1 . 1 1 79 79 LEU CB C 79 42.871 42.871 42.768 0.103 18349 297 1 . 1 1 80 80 LEU N N 80 114.760 114.760 118.158 -3.398 18349 298 1 . 1 1 80 80 LEU HA H 80 4.296 4.296 4.246 0.050 18349 299 1 . 1 1 80 80 LEU CA C 80 53.874 53.874 55.589 -1.715 18349 300 1 . 1 1 80 80 LEU CB C 80 41.708 41.708 40.666 1.042 18349 301 1 . 1 1 81 81 LYS N N 81 120.468 120.468 118.335 2.133 18349 302 1 . 1 1 81 81 LYS HA H 81 3.912 3.912 4.078 -0.166 18349 303 1 . 1 1 81 81 LYS CA C 81 59.201 59.201 58.813 0.388 18349 304 1 . 1 1 81 81 LYS CB C 81 32.409 32.409 31.554 0.855 18349 305 1 . 1 1 82 82 ASP N N 82 118.031 118.031 118.947 -0.916 18349 306 1 . 1 1 82 82 ASP HA H 82 4.693 4.693 4.468 0.225 18349 307 1 . 1 1 82 82 ASP CA C 82 55.118 55.118 56.600 -1.482 18349 308 1 . 1 1 82 82 ASP CB C 82 41.445 41.445 41.383 0.062 18349 309 1 . 1 1 83 83 VAL N N 83 115.842 115.842 114.926 0.916 18349 310 1 . 1 1 83 83 VAL HA H 83 4.192 4.192 4.194 -0.002 18349 311 1 . 1 1 83 83 VAL CA C 83 61.812 61.812 62.666 -0.854 18349 312 1 . 1 1 83 83 VAL CB C 83 32.753 32.753 32.931 -0.178 18349 313 1 . 1 1 84 84 LEU N N 84 123.084 123.084 122.902 0.182 18349 314 1 . 1 1 84 84 LEU HA H 84 4.542 4.542 4.780 -0.238 18349 315 1 . 1 1 84 84 LEU CA C 84 52.038 52.038 52.021 0.017 18349 316 1 . 1 1 84 84 LEU CB C 84 42.140 42.140 42.868 -0.728 18349 317 1 . 1 1 85 85 PRO HA H 85 4.336 4.336 4.445 -0.109 18349 318 1 . 1 1 85 85 PRO CA C 85 62.853 62.853 63.100 -0.247 18349 319 1 . 1 1 85 85 PRO CB C 85 32.178 32.178 31.298 0.880 18349 320 1 . 1 1 86 86 GLN N N 86 121.533 121.533 123.368 -1.835 18349 321 1 . 1 1 86 86 GLN HA H 86 4.144 4.144 4.480 -0.336 18349 322 1 . 1 1 86 86 GLN CA C 86 55.689 55.689 54.931 0.758 18349 323 1 . 1 1 86 86 GLN CB C 86 29.618 29.618 29.886 -0.268 18349 324 1 . 1 1 87 87 LYS N N 87 123.688 123.688 121.357 2.331 18349 325 1 . 1 1 87 87 LYS HA H 87 4.246 4.246 4.265 -0.019 18349 326 1 . 1 1 87 87 LYS CA C 87 56.241 56.241 57.020 -0.779 18349 327 1 . 1 1 87 87 LYS CB C 87 33.528 33.528 32.582 0.946 18349 stop_ save_