data_17603 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17603 _Entry.PDB_ID 2LC9 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 17603 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASN N N 2 115.826 115.826 119.221 -3.395 17603 2 1 1 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.605 -0.138 17603 3 1 1 . 1 1 2 2 ASN C C 2 174.640 174.640 174.306 0.334 17603 4 1 1 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.156 -0.242 17603 5 1 1 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.011 0.233 17603 6 1 1 . 1 1 2 2 ASN H H 2 6.923 6.923 7.722 -0.799 17603 7 1 1 . 1 1 3 3 ILE N N 3 116.880 116.880 119.954 -3.074 17603 8 1 1 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.878 0.199 17603 9 1 1 . 1 1 3 3 ILE C C 3 174.099 174.099 176.426 -2.327 17603 10 1 1 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.968 -1.337 17603 11 1 1 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.938 0.254 17603 12 1 1 . 1 1 3 3 ILE H H 3 8.815 8.815 8.489 0.326 17603 13 1 1 . 1 1 4 4 PHE N N 4 121.992 121.992 119.073 2.919 17603 14 1 1 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.222 -0.193 17603 15 1 1 . 1 1 4 4 PHE C C 4 177.093 177.093 178.122 -1.029 17603 16 1 1 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.190 -1.181 17603 17 1 1 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.323 -0.163 17603 18 1 1 . 1 1 4 4 PHE H H 4 7.336 7.336 8.045 -0.709 17603 19 1 1 . 1 1 5 5 GLU N N 5 118.284 118.284 119.154 -0.870 17603 20 1 1 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.970 -0.189 17603 21 1 1 . 1 1 5 5 GLU C C 5 178.340 178.340 179.145 -0.805 17603 22 1 1 . 1 1 5 5 GLU CA C 5 58.649 58.649 58.986 -0.337 17603 23 1 1 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.117 1.239 17603 24 1 1 . 1 1 5 5 GLU H H 5 7.892 7.892 8.628 -0.736 17603 25 1 1 . 1 1 6 6 MET N N 6 118.546 118.546 120.908 -2.362 17603 26 1 1 . 1 1 6 6 MET HA H 6 3.314 3.314 3.822 -0.508 17603 27 1 1 . 1 1 6 6 MET C C 6 177.078 177.078 178.288 -1.210 17603 28 1 1 . 1 1 6 6 MET CA C 6 58.988 58.988 59.340 -0.352 17603 29 1 1 . 1 1 6 6 MET CB C 6 34.498 34.498 32.511 1.987 17603 30 1 1 . 1 1 6 6 MET H H 6 7.946 7.946 8.421 -0.475 17603 31 1 1 . 1 1 7 7 LEU N N 7 116.516 116.516 118.328 -1.812 17603 32 1 1 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.897 0.071 17603 33 1 1 . 1 1 7 7 LEU C C 7 178.579 178.579 178.879 -0.300 17603 34 1 1 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.543 0.062 17603 35 1 1 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.350 0.544 17603 36 1 1 . 1 1 7 7 LEU H H 7 7.969 7.969 8.220 -0.251 17603 37 1 1 . 1 1 8 8 ARG N N 8 120.793 120.793 119.337 1.456 17603 38 1 1 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.794 -0.235 17603 39 1 1 . 1 1 8 8 ARG C C 8 180.018 180.018 179.228 0.790 17603 40 1 1 . 1 1 8 8 ARG CA C 8 60.246 60.246 59.533 0.713 17603 41 1 1 . 1 1 8 8 ARG CB C 8 29.518 29.518 30.006 -0.488 17603 42 1 1 . 1 1 8 8 ARG H H 8 8.161 8.161 8.120 0.041 17603 43 1 1 . 1 1 9 9 ILE N N 9 120.805 120.805 119.389 1.416 17603 44 1 1 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.764 -0.191 17603 45 1 1 . 1 1 9 9 ILE C C 9 177.878 177.878 177.283 0.595 17603 46 1 1 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.757 0.519 17603 47 1 1 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.131 0.142 17603 48 1 1 . 1 1 9 9 ILE H H 9 7.628 7.628 7.933 -0.305 17603 49 1 1 . 1 1 10 10 ASP N N 10 118.172 118.172 117.841 0.331 17603 50 1 1 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.634 -0.228 17603 51 1 1 . 1 1 10 10 ASP C C 10 178.041 178.041 178.320 -0.279 17603 52 1 1 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.995 1.299 17603 53 1 1 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.098 0.773 17603 54 1 1 . 1 1 10 10 ASP H H 10 7.999 7.999 7.993 0.006 17603 55 1 1 . 1 1 11 11 GLU N N 11 115.562 115.562 115.938 -0.376 17603 56 1 1 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.558 0.083 17603 57 1 1 . 1 1 11 11 GLU C C 11 178.197 178.197 177.498 0.699 17603 58 1 1 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.131 -0.027 17603 59 1 1 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.267 -0.172 17603 60 1 1 . 1 1 11 11 GLU H H 11 8.855 8.855 8.301 0.554 17603 61 1 1 . 1 1 12 12 GLY N N 12 109.971 109.971 108.640 1.331 17603 62 1 1 . 1 1 12 12 GLY C C 12 170.049 170.049 171.924 -1.875 17603 63 1 1 . 1 1 12 12 GLY CA C 12 44.694 44.694 44.999 -0.305 17603 64 1 1 . 1 1 12 12 GLY H H 12 7.550 7.550 7.946 -0.396 17603 65 1 1 . 1 1 13 13 LEU N N 13 117.547 117.547 120.696 -3.149 17603 66 1 1 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.059 -0.601 17603 67 1 1 . 1 1 13 13 LEU C C 13 175.566 175.566 175.463 0.103 17603 68 1 1 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.182 0.390 17603 69 1 1 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.336 -0.469 17603 70 1 1 . 1 1 13 13 LEU H H 13 7.755 7.755 8.175 -0.420 17603 71 1 1 . 1 1 14 14 ARG N N 14 126.722 126.722 126.168 0.554 17603 72 1 1 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.670 0.015 17603 73 1 1 . 1 1 14 14 ARG C C 14 175.979 175.979 175.436 0.543 17603 74 1 1 . 1 1 14 14 ARG CA C 14 54.263 54.263 55.010 -0.747 17603 75 1 1 . 1 1 14 14 ARG CB C 14 32.818 32.818 33.265 -0.447 17603 76 1 1 . 1 1 14 14 ARG H H 14 8.214 8.214 8.358 -0.144 17603 77 1 1 . 1 1 15 15 LEU N N 15 123.112 123.112 121.327 1.785 17603 78 1 1 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.384 -0.039 17603 79 1 1 . 1 1 15 15 LEU C C 15 173.808 173.808 176.045 -2.237 17603 80 1 1 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.070 -0.297 17603 81 1 1 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.306 -2.534 17603 82 1 1 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 83 1 1 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 84 1 1 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.259 0.097 17603 85 1 1 . 1 1 16 16 LYS C C 16 176.072 176.072 176.752 -0.680 17603 86 1 1 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.201 -0.328 17603 87 1 1 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.228 0.733 17603 88 1 1 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 89 1 1 . 1 1 17 17 ILE N N 17 120.916 120.916 126.323 -5.407 17603 90 1 1 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.292 -0.184 17603 91 1 1 . 1 1 17 17 ILE C C 17 174.826 174.826 176.491 -1.665 17603 92 1 1 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.467 0.479 17603 93 1 1 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.377 1.105 17603 94 1 1 . 1 1 17 17 ILE H H 17 7.555 7.555 8.258 -0.703 17603 95 1 1 . 1 1 18 18 TYR N N 18 128.021 128.021 125.980 2.041 17603 96 1 1 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.117 -0.041 17603 97 1 1 . 1 1 18 18 TYR C C 18 172.698 172.698 173.528 -0.830 17603 98 1 1 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.295 0.311 17603 99 1 1 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.910 0.604 17603 100 1 1 . 1 1 18 18 TYR H H 18 9.340 9.340 9.092 0.248 17603 101 1 1 . 1 1 19 19 LYS N N 19 122.578 122.578 120.916 1.662 17603 102 1 1 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.555 -0.022 17603 103 1 1 . 1 1 19 19 LYS C C 19 175.823 175.823 176.226 -0.403 17603 104 1 1 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.008 0.098 17603 105 1 1 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.873 0.347 17603 106 1 1 . 1 1 19 19 LYS H H 19 8.260 8.260 8.416 -0.156 17603 107 1 1 . 1 1 20 20 ASP N N 20 125.695 125.695 124.467 1.228 17603 108 1 1 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.753 -0.162 17603 109 1 1 . 1 1 20 20 ASP C C 20 178.065 178.065 178.326 -0.261 17603 110 1 1 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.182 -0.398 17603 111 1 1 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.629 -0.709 17603 112 1 1 . 1 1 20 20 ASP H H 20 8.517 8.517 8.841 -0.324 17603 113 1 1 . 1 1 21 21 THR N N 21 110.206 110.206 109.498 0.708 17603 114 1 1 . 1 1 21 21 THR HA H 21 3.982 3.982 4.030 -0.048 17603 115 1 1 . 1 1 21 21 THR C C 21 175.854 175.854 175.609 0.245 17603 116 1 1 . 1 1 21 21 THR CA C 21 65.025 65.025 64.722 0.303 17603 117 1 1 . 1 1 21 21 THR CB C 21 68.796 68.796 68.727 0.069 17603 118 1 1 . 1 1 21 21 THR H H 21 7.953 7.953 8.702 -0.749 17603 119 1 1 . 1 1 22 22 GLU N N 22 120.359 120.359 119.826 0.533 17603 120 1 1 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.225 -0.052 17603 121 1 1 . 1 1 22 22 GLU C C 22 175.597 175.597 176.634 -1.037 17603 122 1 1 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.819 0.479 17603 123 1 1 . 1 1 22 22 GLU CB C 22 30.353 30.353 30.052 0.301 17603 124 1 1 . 1 1 22 22 GLU H H 22 8.013 8.013 8.049 -0.036 17603 125 1 1 . 1 1 23 23 GLY N N 23 106.729 106.729 106.732 -0.003 17603 126 1 1 . 1 1 23 23 GLY C C 23 173.526 173.526 174.055 -0.529 17603 127 1 1 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.050 -0.084 17603 128 1 1 . 1 1 23 23 GLY H H 23 7.841 7.841 7.810 0.031 17603 129 1 1 . 1 1 24 24 TYR N N 24 120.577 120.577 119.510 1.067 17603 130 1 1 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.514 0.361 17603 131 1 1 . 1 1 24 24 TYR C C 24 177.535 177.535 175.788 1.747 17603 132 1 1 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.462 -1.219 17603 133 1 1 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.081 -0.780 17603 134 1 1 . 1 1 24 24 TYR H H 24 8.116 8.116 8.078 0.038 17603 135 1 1 . 1 1 25 25 TYR N N 25 122.385 122.385 123.193 -0.808 17603 136 1 1 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.892 0.043 17603 137 1 1 . 1 1 25 25 TYR C C 25 175.310 175.310 176.203 -0.893 17603 138 1 1 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.014 -0.221 17603 139 1 1 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.885 2.008 17603 140 1 1 . 1 1 25 25 TYR H H 25 8.679 8.679 8.884 -0.205 17603 141 1 1 . 1 1 26 26 THR N N 26 120.628 120.628 118.052 2.576 17603 142 1 1 . 1 1 26 26 THR HA H 26 5.179 5.179 5.059 0.120 17603 143 1 1 . 1 1 26 26 THR C C 26 180.259 180.259 172.608 7.651 17603 144 1 1 . 1 1 26 26 THR CA C 26 61.015 61.015 61.286 -0.271 17603 145 1 1 . 1 1 26 26 THR CB C 26 72.424 72.424 72.397 0.027 17603 146 1 1 . 1 1 26 26 THR H H 26 9.362 9.362 9.068 0.294 17603 147 1 1 . 1 1 27 27 ILE N N 27 120.468 120.468 120.688 -0.220 17603 148 1 1 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.517 0.029 17603 149 1 1 . 1 1 27 27 ILE C C 27 172.440 172.440 174.633 -2.193 17603 150 1 1 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.798 0.709 17603 151 1 1 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.034 1.149 17603 152 1 1 . 1 1 27 27 ILE H H 27 8.814 8.814 8.533 0.281 17603 153 1 1 . 1 1 28 28 GLY N N 28 112.172 112.172 112.807 -0.635 17603 154 1 1 . 1 1 28 28 GLY C C 28 174.772 174.772 174.188 0.584 17603 155 1 1 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.076 -0.079 17603 156 1 1 . 1 1 28 28 GLY H H 28 8.553 8.553 8.797 -0.244 17603 157 1 1 . 1 1 29 29 ILE N N 29 133.320 133.320 125.106 8.214 17603 158 1 1 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.403 0.423 17603 159 1 1 . 1 1 29 29 ILE C C 29 176.677 176.677 176.606 0.071 17603 160 1 1 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.758 -1.546 17603 161 1 1 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.696 -0.835 17603 162 1 1 . 1 1 29 29 ILE H H 29 10.142 10.142 8.637 1.505 17603 163 1 1 . 1 1 30 30 GLY N N 30 108.192 108.192 112.458 -4.266 17603 164 1 1 . 1 1 30 30 GLY C C 30 173.131 173.131 174.254 -1.123 17603 165 1 1 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.065 1.126 17603 166 1 1 . 1 1 30 30 GLY H H 30 8.121 8.121 8.384 -0.263 17603 167 1 1 . 1 1 31 31 HIS N N 31 115.740 115.740 120.124 -4.384 17603 168 1 1 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.655 -0.354 17603 169 1 1 . 1 1 31 31 HIS C C 31 173.495 173.495 174.592 -1.097 17603 170 1 1 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.883 1.791 17603 171 1 1 . 1 1 31 31 HIS CB C 31 27.571 27.571 30.002 -2.431 17603 172 1 1 . 1 1 31 31 HIS H H 31 8.266 8.266 8.419 -0.153 17603 173 1 1 . 1 1 32 32 LEU N N 32 132.140 132.140 128.671 3.469 17603 174 1 1 . 1 1 32 32 LEU HA H 32 4.089 4.089 4.007 0.082 17603 175 1 1 . 1 1 32 32 LEU C C 32 176.486 176.486 175.655 0.831 17603 176 1 1 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.487 0.353 17603 177 1 1 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.206 -0.272 17603 178 1 1 . 1 1 32 32 LEU H H 32 7.873 7.873 8.287 -0.414 17603 179 1 1 . 1 1 33 33 LEU N N 33 125.594 125.594 126.371 -0.777 17603 180 1 1 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.370 0.066 17603 181 1 1 . 1 1 33 33 LEU C C 33 176.139 176.139 177.132 -0.993 17603 182 1 1 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.931 -0.249 17603 183 1 1 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.111 0.338 17603 184 1 1 . 1 1 33 33 LEU H H 33 9.060 9.060 8.785 0.275 17603 185 1 1 . 1 1 34 34 THR N N 34 109.512 109.512 109.032 0.480 17603 186 1 1 . 1 1 34 34 THR HA H 34 4.485 4.485 4.392 0.093 17603 187 1 1 . 1 1 34 34 THR C C 34 171.666 171.666 172.303 -0.637 17603 188 1 1 . 1 1 34 34 THR CA C 34 60.278 60.278 61.365 -1.087 17603 189 1 1 . 1 1 34 34 THR CB C 34 67.479 67.479 71.442 -3.963 17603 190 1 1 . 1 1 34 34 THR H H 34 7.266 7.266 7.383 -0.117 17603 191 1 1 . 1 1 35 35 LYS N N 35 125.041 125.041 122.556 2.485 17603 192 1 1 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.023 0.271 17603 193 1 1 . 1 1 35 35 LYS C C 35 176.714 176.714 176.757 -0.043 17603 194 1 1 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.906 0.449 17603 195 1 1 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.284 0.102 17603 196 1 1 . 1 1 35 35 LYS H H 35 8.556 8.556 8.283 0.273 17603 197 1 1 . 1 1 36 36 SER N N 36 119.417 119.417 117.699 1.718 17603 198 1 1 . 1 1 36 36 SER CA C 36 57.016 57.016 56.275 0.741 17603 199 1 1 . 1 1 36 36 SER CB C 36 64.053 64.053 63.781 0.272 17603 200 1 1 . 1 1 36 36 SER H H 36 8.671 8.671 7.811 0.860 17603 201 1 1 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.579 0.255 17603 202 1 1 . 1 1 37 37 PRO C C 37 177.182 177.182 176.815 0.367 17603 203 1 1 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.438 0.279 17603 204 1 1 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.942 -1.290 17603 205 1 1 . 1 1 38 38 SER N N 38 116.310 116.310 116.123 0.187 17603 206 1 1 . 1 1 38 38 SER HA H 38 4.703 4.703 4.572 0.131 17603 207 1 1 . 1 1 38 38 SER C C 38 174.405 174.405 175.306 -0.901 17603 208 1 1 . 1 1 38 38 SER CA C 38 56.494 56.494 56.686 -0.192 17603 209 1 1 . 1 1 38 38 SER CB C 38 63.608 63.608 63.569 0.039 17603 210 1 1 . 1 1 38 38 SER H H 38 8.189 8.189 7.764 0.425 17603 211 1 1 . 1 1 39 39 LEU N N 39 132.784 132.784 130.486 2.298 17603 212 1 1 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.352 0.003 17603 213 1 1 . 1 1 39 39 LEU C C 39 178.441 178.441 177.572 0.869 17603 214 1 1 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.147 0.111 17603 215 1 1 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.849 -0.364 17603 216 1 1 . 1 1 39 39 LEU H H 39 8.916 8.916 8.793 0.123 17603 217 1 1 . 1 1 40 40 ASN N N 40 116.840 116.840 117.515 -0.675 17603 218 1 1 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.342 -0.079 17603 219 1 1 . 1 1 40 40 ASN C C 40 178.226 178.226 177.435 0.791 17603 220 1 1 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.977 0.361 17603 221 1 1 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 222 1 1 . 1 1 40 40 ASN H H 40 8.255 8.255 8.221 0.034 17603 223 1 1 . 1 1 41 41 ALA N N 41 123.964 123.964 122.977 0.987 17603 224 1 1 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.997 0.197 17603 225 1 1 . 1 1 41 41 ALA C C 41 179.835 179.835 178.895 0.940 17603 226 1 1 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.929 -0.061 17603 227 1 1 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.355 -0.482 17603 228 1 1 . 1 1 41 41 ALA H H 41 7.710 7.710 7.592 0.118 17603 229 1 1 . 1 1 42 42 ALA N N 42 121.099 121.099 121.298 -0.199 17603 230 1 1 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.876 -0.126 17603 231 1 1 . 1 1 42 42 ALA C C 42 178.838 178.838 179.454 -0.616 17603 232 1 1 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.106 0.427 17603 233 1 1 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.085 0.491 17603 234 1 1 . 1 1 42 42 ALA H H 42 7.571 7.571 7.858 -0.287 17603 235 1 1 . 1 1 43 43 LYS N N 43 117.308 117.308 118.139 -0.831 17603 236 1 1 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.893 -0.239 17603 237 1 1 . 1 1 43 43 LYS C C 43 177.511 177.511 178.921 -1.410 17603 238 1 1 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.716 0.943 17603 239 1 1 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 240 1 1 . 1 1 43 43 LYS H H 43 8.377 8.377 8.251 0.126 17603 241 1 1 . 1 1 44 44 SER N N 44 114.066 114.066 115.251 -1.185 17603 242 1 1 . 1 1 44 44 SER HA H 44 4.256 4.256 4.166 0.090 17603 243 1 1 . 1 1 44 44 SER C C 44 177.894 177.894 176.608 1.286 17603 244 1 1 . 1 1 44 44 SER CA C 44 61.764 61.764 61.396 0.368 17603 245 1 1 . 1 1 44 44 SER CB C 44 62.722 62.722 62.554 0.168 17603 246 1 1 . 1 1 44 44 SER H H 44 7.895 7.895 8.146 -0.251 17603 247 1 1 . 1 1 45 45 GLU N N 45 120.349 120.349 121.230 -0.881 17603 248 1 1 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.043 0.064 17603 249 1 1 . 1 1 45 45 GLU C C 45 179.336 179.336 179.151 0.185 17603 250 1 1 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.996 -0.570 17603 251 1 1 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.327 0.021 17603 252 1 1 . 1 1 45 45 GLU H H 45 7.988 7.988 7.882 0.106 17603 253 1 1 . 1 1 46 46 LEU N N 46 122.887 122.887 122.367 0.520 17603 254 1 1 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.064 -0.126 17603 255 1 1 . 1 1 46 46 LEU C C 46 177.291 177.291 178.307 -1.016 17603 256 1 1 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.171 -0.522 17603 257 1 1 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.663 -0.047 17603 258 1 1 . 1 1 46 46 LEU H H 46 8.286 8.286 8.317 -0.031 17603 259 1 1 . 1 1 47 47 ASP N N 47 120.418 120.418 119.888 0.530 17603 260 1 1 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.488 0.272 17603 261 1 1 . 1 1 47 47 ASP C C 47 180.926 180.926 179.131 1.795 17603 262 1 1 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.417 -0.099 17603 263 1 1 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.250 -0.221 17603 264 1 1 . 1 1 47 47 ASP H H 47 8.553 8.553 8.426 0.127 17603 265 1 1 . 1 1 48 48 LYS N N 48 120.743 120.743 119.997 0.746 17603 266 1 1 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.063 -0.060 17603 267 1 1 . 1 1 48 48 LYS C C 48 178.198 178.198 178.307 -0.109 17603 268 1 1 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.869 0.312 17603 269 1 1 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.594 0.110 17603 270 1 1 . 1 1 48 48 LYS H H 48 7.747 7.747 7.931 -0.184 17603 271 1 1 . 1 1 49 49 ALA N N 49 121.258 121.258 121.917 -0.659 17603 272 1 1 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.220 -0.064 17603 273 1 1 . 1 1 49 49 ALA C C 49 179.386 179.386 179.197 0.189 17603 274 1 1 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.554 -0.082 17603 275 1 1 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.977 -0.743 17603 276 1 1 . 1 1 49 49 ALA H H 49 7.925 7.925 7.966 -0.041 17603 277 1 1 . 1 1 50 50 ILE N N 50 114.806 114.806 115.946 -1.140 17603 278 1 1 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.048 0.030 17603 279 1 1 . 1 1 50 50 ILE C C 50 177.205 177.205 177.208 -0.003 17603 280 1 1 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.046 -1.944 17603 281 1 1 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.422 -1.128 17603 282 1 1 . 1 1 50 50 ILE H H 50 8.323 8.323 7.711 0.612 17603 283 1 1 . 1 1 51 51 GLY N N 51 109.238 109.238 109.790 -0.552 17603 284 1 1 . 1 1 51 51 GLY C C 51 173.771 173.771 173.777 -0.006 17603 285 1 1 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.154 0.768 17603 286 1 1 . 1 1 51 51 GLY H H 51 8.340 8.340 8.379 -0.039 17603 287 1 1 . 1 1 52 52 ARG N N 52 115.526 115.526 116.554 -1.028 17603 288 1 1 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.522 0.035 17603 289 1 1 . 1 1 52 52 ARG C C 52 172.391 172.391 173.393 -1.002 17603 290 1 1 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.814 0.266 17603 291 1 1 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.306 -0.099 17603 292 1 1 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17603 293 1 1 . 1 1 53 53 ASN N N 53 115.684 115.684 120.470 -4.786 17603 294 1 1 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.947 -0.251 17603 295 1 1 . 1 1 53 53 ASN C C 53 175.491 175.491 174.994 0.497 17603 296 1 1 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.825 0.327 17603 297 1 1 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.031 17603 298 1 1 . 1 1 53 53 ASN H H 53 8.241 8.241 8.686 -0.445 17603 299 1 1 . 1 1 54 54 THR N N 54 119.609 119.609 118.029 1.580 17603 300 1 1 . 1 1 54 54 THR HA H 54 4.300 4.300 4.496 -0.196 17603 301 1 1 . 1 1 54 54 THR C C 54 177.264 177.264 174.675 2.589 17603 302 1 1 . 1 1 54 54 THR CA C 54 63.701 63.701 60.888 2.813 17603 303 1 1 . 1 1 54 54 THR CB C 54 70.615 70.615 70.624 -0.009 17603 304 1 1 . 1 1 54 54 THR H H 54 9.034 9.034 8.767 0.267 17603 305 1 1 . 1 1 55 55 ASN N N 55 120.027 120.027 118.458 1.569 17603 306 1 1 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.692 -0.308 17603 307 1 1 . 1 1 55 55 ASN C C 55 175.774 175.774 175.674 0.100 17603 308 1 1 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.037 2.389 17603 309 1 1 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.722 -0.077 17603 310 1 1 . 1 1 55 55 ASN H H 55 9.426 9.426 8.341 1.085 17603 311 1 1 . 1 1 56 56 GLY N N 56 103.056 103.056 108.265 -5.209 17603 312 1 1 . 1 1 56 56 GLY C C 56 172.072 172.072 172.904 -0.832 17603 313 1 1 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.168 0.018 17603 314 1 1 . 1 1 56 56 GLY H H 56 8.662 8.662 7.806 0.856 17603 315 1 1 . 1 1 57 57 VAL N N 57 119.999 119.999 118.574 1.425 17603 316 1 1 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.291 -0.162 17603 317 1 1 . 1 1 57 57 VAL C C 57 174.971 174.971 174.884 0.087 17603 318 1 1 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.691 1.330 17603 319 1 1 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.642 0.529 17603 320 1 1 . 1 1 57 57 VAL H H 57 7.444 7.444 7.423 0.021 17603 321 1 1 . 1 1 58 58 ILE N N 58 116.746 116.746 121.359 -4.613 17603 322 1 1 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.092 -0.246 17603 323 1 1 . 1 1 58 58 ILE C C 58 175.376 175.376 175.215 0.161 17603 324 1 1 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.912 0.727 17603 325 1 1 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.925 -0.052 17603 326 1 1 . 1 1 58 58 ILE H H 58 8.562 8.562 9.075 -0.513 17603 327 1 1 . 1 1 59 59 THR N N 59 109.208 109.208 112.607 -3.399 17603 328 1 1 . 1 1 59 59 THR HA H 59 4.632 4.632 4.660 -0.028 17603 329 1 1 . 1 1 59 59 THR C C 59 176.431 176.431 174.812 1.619 17603 330 1 1 . 1 1 59 59 THR CA C 59 59.899 59.899 60.182 -0.283 17603 331 1 1 . 1 1 59 59 THR CB C 59 71.419 71.419 70.282 1.137 17603 332 1 1 . 1 1 59 59 THR H H 59 8.682 8.682 9.056 -0.374 17603 333 1 1 . 1 1 60 60 LYS N N 60 121.442 121.442 121.690 -0.248 17603 334 1 1 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.957 -0.118 17603 335 1 1 . 1 1 60 60 LYS C C 60 178.238 178.238 178.330 -0.092 17603 336 1 1 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.460 0.303 17603 337 1 1 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.266 -0.250 17603 338 1 1 . 1 1 60 60 LYS H H 60 9.097 9.097 8.817 0.280 17603 339 1 1 . 1 1 61 61 ASP N N 61 117.513 117.513 118.382 -0.869 17603 340 1 1 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.408 -0.041 17603 341 1 1 . 1 1 61 61 ASP C C 61 179.613 179.613 179.004 0.609 17603 342 1 1 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.526 -0.171 17603 343 1 1 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.174 0.347 17603 344 1 1 . 1 1 61 61 ASP H H 61 8.234 8.234 8.535 -0.301 17603 345 1 1 . 1 1 62 62 GLU N N 62 121.613 121.613 120.194 1.419 17603 346 1 1 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.066 -0.177 17603 347 1 1 . 1 1 62 62 GLU C C 62 178.900 178.900 178.823 0.077 17603 348 1 1 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.108 -0.058 17603 349 1 1 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.592 -0.109 17603 350 1 1 . 1 1 62 62 GLU H H 62 7.725 7.725 7.890 -0.165 17603 351 1 1 . 1 1 63 63 ALA N N 63 121.265 121.265 122.794 -1.529 17603 352 1 1 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.950 -0.066 17603 353 1 1 . 1 1 63 63 ALA C C 63 180.712 180.712 179.761 0.951 17603 354 1 1 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.688 -0.586 17603 355 1 1 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.395 0.096 17603 356 1 1 . 1 1 63 63 ALA H H 63 8.500 8.500 8.396 0.104 17603 357 1 1 . 1 1 64 64 GLU N N 64 120.135 120.135 118.214 1.921 17603 358 1 1 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.190 -0.096 17603 359 1 1 . 1 1 64 64 GLU C C 64 177.848 177.848 178.920 -1.072 17603 360 1 1 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.418 0.339 17603 361 1 1 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.633 -0.520 17603 362 1 1 . 1 1 64 64 GLU H H 64 8.412 8.412 8.387 0.025 17603 363 1 1 . 1 1 65 65 LYS N N 65 122.023 122.023 121.366 0.657 17603 364 1 1 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.094 0.058 17603 365 1 1 . 1 1 65 65 LYS C C 65 179.601 179.601 179.009 0.592 17603 366 1 1 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.641 0.477 17603 367 1 1 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.413 -0.093 17603 368 1 1 . 1 1 65 65 LYS H H 65 7.853 7.853 8.006 -0.153 17603 369 1 1 . 1 1 66 66 LEU N N 66 118.739 118.739 119.322 -0.583 17603 370 1 1 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.935 -0.002 17603 371 1 1 . 1 1 66 66 LEU C C 66 177.920 177.920 179.112 -1.192 17603 372 1 1 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.910 -0.408 17603 373 1 1 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.592 0.788 17603 374 1 1 . 1 1 66 66 LEU H H 66 7.822 7.822 8.101 -0.279 17603 375 1 1 . 1 1 67 67 PHE N N 67 119.050 119.050 120.247 -1.197 17603 376 1 1 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.279 0.916 17603 377 1 1 . 1 1 67 67 PHE C C 67 177.421 177.421 177.543 -0.122 17603 378 1 1 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.751 -0.818 17603 379 1 1 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.914 1.061 17603 380 1 1 . 1 1 67 67 PHE H H 67 8.075 8.075 8.462 -0.387 17603 381 1 1 . 1 1 68 68 ASN N N 68 118.041 118.041 117.410 0.631 17603 382 1 1 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.371 -0.122 17603 383 1 1 . 1 1 68 68 ASN C C 68 178.777 178.777 177.568 1.209 17603 384 1 1 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.554 0.504 17603 385 1 1 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.589 -0.098 17603 386 1 1 . 1 1 68 68 ASN H H 68 8.505 8.505 8.566 -0.061 17603 387 1 1 . 1 1 69 69 GLN N N 69 118.812 118.812 119.176 -0.364 17603 388 1 1 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.992 0.187 17603 389 1 1 . 1 1 69 69 GLN C C 69 178.938 178.938 178.454 0.484 17603 390 1 1 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.166 -0.277 17603 391 1 1 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.706 -0.154 17603 392 1 1 . 1 1 69 69 GLN H H 69 7.763 7.763 8.092 -0.329 17603 393 1 1 . 1 1 70 70 ASP N N 70 123.281 123.281 120.949 2.332 17603 394 1 1 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.446 0.053 17603 395 1 1 . 1 1 70 70 ASP C C 70 180.101 180.101 178.990 1.111 17603 396 1 1 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.376 -0.334 17603 397 1 1 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.591 -0.151 17603 398 1 1 . 1 1 70 70 ASP H H 70 8.757 8.757 8.476 0.281 17603 399 1 1 . 1 1 71 71 VAL N N 71 125.532 125.532 120.715 4.817 17603 400 1 1 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.479 0.117 17603 401 1 1 . 1 1 71 71 VAL C C 71 177.160 177.160 177.549 -0.389 17603 402 1 1 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.783 1.226 17603 403 1 1 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.222 0.361 17603 404 1 1 . 1 1 71 71 VAL H H 71 9.015 9.015 8.355 0.660 17603 405 1 1 . 1 1 72 72 ASP N N 72 119.221 119.221 119.984 -0.763 17603 406 1 1 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.241 0.121 17603 407 1 1 . 1 1 72 72 ASP C C 72 178.561 178.561 178.184 0.377 17603 408 1 1 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.301 0.022 17603 409 1 1 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.082 1.001 17603 410 1 1 . 1 1 72 72 ASP H H 72 7.599 7.599 8.143 -0.544 17603 411 1 1 . 1 1 73 73 ALA N N 73 120.038 120.038 121.704 -1.666 17603 412 1 1 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.023 -0.024 17603 413 1 1 . 1 1 73 73 ALA C C 73 180.491 180.491 179.543 0.948 17603 414 1 1 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.042 0.044 17603 415 1 1 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.193 0.329 17603 416 1 1 . 1 1 73 73 ALA H H 73 8.276 8.276 8.246 0.030 17603 417 1 1 . 1 1 74 74 ALA N N 74 123.435 123.435 121.813 1.622 17603 418 1 1 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.959 0.204 17603 419 1 1 . 1 1 74 74 ALA C C 74 178.997 178.997 179.494 -0.497 17603 420 1 1 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.833 -0.006 17603 421 1 1 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.428 0.002 17603 422 1 1 . 1 1 74 74 ALA H H 74 7.925 7.925 7.695 0.230 17603 423 1 1 . 1 1 75 75 VAL N N 75 118.091 118.091 119.432 -1.341 17603 424 1 1 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.297 -0.066 17603 425 1 1 . 1 1 75 75 VAL C C 75 178.108 178.108 177.662 0.446 17603 426 1 1 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.916 0.126 17603 427 1 1 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.412 0.426 17603 428 1 1 . 1 1 75 75 VAL H H 75 8.141 8.141 7.877 0.264 17603 429 1 1 . 1 1 76 76 ARG N N 76 117.779 117.779 119.912 -2.133 17603 430 1 1 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.903 -0.102 17603 431 1 1 . 1 1 76 76 ARG C C 76 178.816 178.816 178.664 0.152 17603 432 1 1 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.849 0.063 17603 433 1 1 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.922 0.304 17603 434 1 1 . 1 1 76 76 ARG H H 76 8.358 8.358 8.626 -0.268 17603 435 1 1 . 1 1 77 77 GLY N N 77 105.669 105.669 106.945 -1.276 17603 436 1 1 . 1 1 77 77 GLY C C 77 176.097 176.097 176.039 0.058 17603 437 1 1 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.795 -0.121 17603 438 1 1 . 1 1 77 77 GLY H H 77 7.999 7.999 8.107 -0.108 17603 439 1 1 . 1 1 78 78 ILE N N 78 122.001 122.001 122.040 -0.039 17603 440 1 1 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.689 -0.046 17603 441 1 1 . 1 1 78 78 ILE C C 78 177.194 177.194 178.267 -1.073 17603 442 1 1 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.720 0.502 17603 443 1 1 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.871 0.091 17603 444 1 1 . 1 1 78 78 ILE H H 78 7.579 7.579 7.734 -0.155 17603 445 1 1 . 1 1 79 79 LEU N N 79 115.459 115.459 117.790 -2.331 17603 446 1 1 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.019 -0.259 17603 447 1 1 . 1 1 79 79 LEU C C 79 178.673 178.673 178.112 0.561 17603 448 1 1 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.947 0.270 17603 449 1 1 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.620 -0.176 17603 450 1 1 . 1 1 79 79 LEU H H 79 7.929 7.929 8.031 -0.102 17603 451 1 1 . 1 1 80 80 ARG N N 80 114.830 114.830 114.605 0.225 17603 452 1 1 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.313 -0.057 17603 453 1 1 . 1 1 80 80 ARG C C 80 175.076 175.076 175.791 -0.715 17603 454 1 1 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.145 -0.116 17603 455 1 1 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.606 -0.231 17603 456 1 1 . 1 1 80 80 ARG H H 80 7.680 7.680 7.642 0.038 17603 457 1 1 . 1 1 81 81 ASN N N 81 120.935 120.935 118.734 2.201 17603 458 1 1 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.797 -0.038 17603 459 1 1 . 1 1 81 81 ASN C C 81 174.612 174.612 175.220 -0.608 17603 460 1 1 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.296 0.218 17603 461 1 1 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.307 -0.508 17603 462 1 1 . 1 1 81 81 ASN H H 81 7.516 7.516 7.506 0.010 17603 463 1 1 . 1 1 82 82 ALA N N 82 128.007 128.007 129.612 -1.605 17603 464 1 1 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.171 -0.099 17603 465 1 1 . 1 1 82 82 ALA C C 82 178.837 178.837 178.567 0.270 17603 466 1 1 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.561 0.324 17603 467 1 1 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.835 0.142 17603 468 1 1 . 1 1 82 82 ALA H H 82 8.784 8.784 8.975 -0.191 17603 469 1 1 . 1 1 83 83 LYS N N 83 114.232 114.232 117.395 -3.163 17603 470 1 1 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.242 -0.011 17603 471 1 1 . 1 1 83 83 LYS C C 83 177.362 177.362 178.650 -1.288 17603 472 1 1 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.556 -0.991 17603 473 1 1 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.976 -0.173 17603 474 1 1 . 1 1 83 83 LYS H H 83 8.075 8.075 8.216 -0.141 17603 475 1 1 . 1 1 84 84 LEU N N 84 115.899 115.899 120.354 -4.455 17603 476 1 1 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.193 -0.014 17603 477 1 1 . 1 1 84 84 LEU C C 84 178.322 178.322 178.256 0.066 17603 478 1 1 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.241 -0.610 17603 479 1 1 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.111 0.822 17603 480 1 1 . 1 1 84 84 LEU H H 84 7.422 7.422 8.472 -1.050 17603 481 1 1 . 1 1 85 85 LYS N N 85 120.723 120.723 120.622 0.101 17603 482 1 1 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.016 0.520 17603 483 1 1 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.492 -0.529 17603 484 1 1 . 1 1 85 85 LYS H H 85 8.407 8.407 8.397 0.010 17603 485 1 1 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.326 0.135 17603 486 1 1 . 1 1 86 86 PRO C C 86 180.075 180.075 179.203 0.872 17603 487 1 1 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.822 0.022 17603 488 1 1 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.132 -0.325 17603 489 1 1 . 1 1 87 87 VAL N N 87 116.002 116.002 118.679 -2.677 17603 490 1 1 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.762 0.028 17603 491 1 1 . 1 1 87 87 VAL C C 87 178.477 178.477 178.258 0.219 17603 492 1 1 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.282 -0.849 17603 493 1 1 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.781 -0.285 17603 494 1 1 . 1 1 87 87 VAL H H 87 6.903 6.903 7.286 -0.383 17603 495 1 1 . 1 1 88 88 TYR N N 88 123.146 123.146 121.192 1.954 17603 496 1 1 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.125 -0.188 17603 497 1 1 . 1 1 88 88 TYR C C 88 177.346 177.346 178.206 -0.860 17603 498 1 1 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.980 1.032 17603 499 1 1 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.408 1.286 17603 500 1 1 . 1 1 88 88 TYR H H 88 8.454 8.454 8.693 -0.239 17603 501 1 1 . 1 1 89 89 ASP N N 89 117.059 117.059 117.608 -0.549 17603 502 1 1 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.358 -0.050 17603 503 1 1 . 1 1 89 89 ASP C C 89 178.136 178.136 178.429 -0.293 17603 504 1 1 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.282 -0.657 17603 505 1 1 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.152 0.434 17603 506 1 1 . 1 1 89 89 ASP H H 89 9.057 9.057 8.922 0.135 17603 507 1 1 . 1 1 90 90 SER N N 90 113.398 113.398 114.051 -0.653 17603 508 1 1 . 1 1 90 90 SER HA H 90 4.435 4.435 4.338 0.097 17603 509 1 1 . 1 1 90 90 SER C C 90 174.464 174.464 175.019 -0.555 17603 510 1 1 . 1 1 90 90 SER CA C 90 59.549 59.549 59.548 0.001 17603 511 1 1 . 1 1 90 90 SER CB C 90 64.598 64.598 63.445 1.153 17603 512 1 1 . 1 1 90 90 SER H H 90 7.385 7.385 7.639 -0.254 17603 513 1 1 . 1 1 91 91 LEU N N 91 123.580 123.580 123.652 -0.072 17603 514 1 1 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.506 -0.093 17603 515 1 1 . 1 1 91 91 LEU C C 91 176.375 176.375 176.779 -0.404 17603 516 1 1 . 1 1 91 91 LEU CA C 91 55.070 55.070 53.986 1.084 17603 517 1 1 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.134 -0.324 17603 518 1 1 . 1 1 91 91 LEU H H 91 7.477 7.477 7.353 0.124 17603 519 1 1 . 1 1 92 92 ASP N N 92 116.218 116.218 121.973 -5.755 17603 520 1 1 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.479 0.087 17603 521 1 1 . 1 1 92 92 ASP C C 92 175.360 175.360 176.714 -1.354 17603 522 1 1 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.966 -1.379 17603 523 1 1 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.154 0.686 17603 524 1 1 . 1 1 92 92 ASP H H 92 7.440 7.440 8.451 -1.011 17603 525 1 1 . 1 1 93 93 ALA N N 93 119.801 119.801 122.081 -2.280 17603 526 1 1 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.043 -0.303 17603 527 1 1 . 1 1 93 93 ALA C C 93 179.894 179.894 179.752 0.142 17603 528 1 1 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.815 1.414 17603 529 1 1 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.858 0.451 17603 530 1 1 . 1 1 93 93 ALA H H 93 8.682 8.682 8.538 0.144 17603 531 1 1 . 1 1 94 94 VAL N N 94 118.735 118.735 118.199 0.536 17603 532 1 1 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.233 -0.205 17603 533 1 1 . 1 1 94 94 VAL C C 94 177.116 177.116 177.860 -0.744 17603 534 1 1 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.785 -0.067 17603 535 1 1 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.139 -0.199 17603 536 1 1 . 1 1 94 94 VAL H H 94 7.580 7.580 7.586 -0.006 17603 537 1 1 . 1 1 95 95 ARG N N 95 119.108 119.108 118.655 0.453 17603 538 1 1 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.679 -0.399 17603 539 1 1 . 1 1 95 95 ARG C C 95 178.366 178.366 178.751 -0.385 17603 540 1 1 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.418 0.996 17603 541 1 1 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.983 0.440 17603 542 1 1 . 1 1 95 95 ARG H H 95 7.729 7.729 8.109 -0.380 17603 543 1 1 . 1 1 96 96 ARG N N 96 118.307 118.307 119.589 -1.282 17603 544 1 1 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.982 -0.328 17603 545 1 1 . 1 1 96 96 ARG C C 96 177.841 177.841 178.402 -0.561 17603 546 1 1 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.398 1.260 17603 547 1 1 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.692 0.819 17603 548 1 1 . 1 1 96 96 ARG H H 96 8.638 8.638 8.397 0.241 17603 549 1 1 . 1 1 97 97 ALA N N 97 120.196 120.196 121.307 -1.111 17603 550 1 1 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.008 -0.021 17603 551 1 1 . 1 1 97 97 ALA C C 97 178.768 178.768 178.933 -0.165 17603 552 1 1 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.087 0.147 17603 553 1 1 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.240 0.014 17603 554 1 1 . 1 1 97 97 ALA H H 97 7.019 7.019 7.448 -0.429 17603 555 1 1 . 1 1 98 98 ALA N N 98 119.143 119.143 121.143 -2.000 17603 556 1 1 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.752 -0.180 17603 557 1 1 . 1 1 98 98 ALA C C 98 177.328 177.328 179.062 -1.734 17603 558 1 1 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.541 0.896 17603 559 1 1 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.500 -1.607 17603 560 1 1 . 1 1 98 98 ALA H H 98 7.097 7.097 7.226 -0.129 17603 561 1 1 . 1 1 99 99 ALA N N 99 119.971 119.971 121.750 -1.779 17603 562 1 1 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.193 -0.597 17603 563 1 1 . 1 1 99 99 ALA C C 99 178.026 178.026 179.712 -1.686 17603 564 1 1 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.194 0.190 17603 565 1 1 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.564 -0.147 17603 566 1 1 . 1 1 99 99 ALA H H 99 7.665 7.665 7.711 -0.046 17603 567 1 1 . 1 1 100 100 ILE N N 100 116.372 116.372 118.111 -1.739 17603 568 1 1 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.556 -0.224 17603 569 1 1 . 1 1 100 100 ILE C C 100 177.103 177.103 177.916 -0.813 17603 570 1 1 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.414 -0.756 17603 571 1 1 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.712 -0.700 17603 572 1 1 . 1 1 100 100 ILE H H 100 8.110 8.110 8.306 -0.196 17603 573 1 1 . 1 1 101 101 ASN N N 101 116.550 116.550 117.671 -1.121 17603 574 1 1 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.396 -0.509 17603 575 1 1 . 1 1 101 101 ASN C C 101 177.350 177.350 178.022 -0.672 17603 576 1 1 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.797 1.299 17603 577 1 1 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.471 0.451 17603 578 1 1 . 1 1 101 101 ASN H H 101 8.098 8.098 7.875 0.223 17603 579 1 1 . 1 1 102 102 MET N N 102 114.177 114.177 117.680 -3.503 17603 580 1 1 . 1 1 102 102 MET HA H 102 3.746 3.746 3.876 -0.130 17603 581 1 1 . 1 1 102 102 MET C C 102 177.507 177.507 177.193 0.314 17603 582 1 1 . 1 1 102 102 MET CA C 102 60.473 60.473 57.039 3.434 17603 583 1 1 . 1 1 102 102 MET CB C 102 33.218 33.218 31.477 1.741 17603 584 1 1 . 1 1 102 102 MET H H 102 7.647 7.647 8.216 -0.569 17603 585 1 1 . 1 1 103 103 VAL N N 103 107.836 107.836 114.214 -6.378 17603 586 1 1 . 1 1 103 103 VAL HA H 103 4.198 4.198 3.894 0.304 17603 587 1 1 . 1 1 103 103 VAL C C 103 175.893 175.893 175.891 0.002 17603 588 1 1 . 1 1 103 103 VAL CA C 103 60.939 60.939 62.313 -1.375 17603 589 1 1 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.491 -1.393 17603 590 1 1 . 1 1 103 103 VAL H H 103 7.332 7.332 7.426 -0.094 17603 591 1 1 . 1 1 104 104 PHE N N 104 125.985 125.985 122.969 3.016 17603 592 1 1 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.284 -0.177 17603 593 1 1 . 1 1 104 104 PHE C C 104 176.884 176.884 174.722 2.162 17603 594 1 1 . 1 1 104 104 PHE CA C 104 60.915 60.915 58.967 1.948 17603 595 1 1 . 1 1 104 104 PHE CB C 104 39.768 39.768 38.800 0.968 17603 596 1 1 . 1 1 104 104 PHE H H 104 7.978 7.978 7.521 0.457 17603 597 1 1 . 1 1 105 105 GLN N N 105 120.302 120.302 120.467 -0.165 17603 598 1 1 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.720 -0.210 17603 599 1 1 . 1 1 105 105 GLN C C 105 174.976 174.976 174.583 0.393 17603 600 1 1 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.446 1.284 17603 601 1 1 . 1 1 105 105 GLN CB C 105 27.304 27.304 25.717 1.587 17603 602 1 1 . 1 1 105 105 GLN H H 105 8.448 8.448 8.336 0.112 17603 603 1 1 . 1 1 106 106 MET N N 106 117.189 117.189 119.598 -2.409 17603 604 1 1 . 1 1 106 106 MET HA H 106 4.184 4.184 4.468 -0.284 17603 605 1 1 . 1 1 106 106 MET C C 106 176.961 176.961 176.311 0.650 17603 606 1 1 . 1 1 106 106 MET CA C 106 54.873 54.873 54.872 0.001 17603 607 1 1 . 1 1 106 106 MET CB C 106 30.057 30.057 33.470 -3.413 17603 608 1 1 . 1 1 106 106 MET H H 106 8.987 8.987 7.266 1.721 17603 609 1 1 . 1 1 107 107 GLY N N 107 107.787 107.787 112.272 -4.485 17603 610 1 1 . 1 1 107 107 GLY C C 107 174.999 174.999 175.013 -0.014 17603 611 1 1 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.518 1.701 17603 612 1 1 . 1 1 107 107 GLY H H 107 7.777 7.777 8.252 -0.475 17603 613 1 1 . 1 1 108 108 GLU N N 108 123.604 123.604 121.630 1.974 17603 614 1 1 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.048 -0.064 17603 615 1 1 . 1 1 108 108 GLU C C 108 179.574 179.574 178.744 0.830 17603 616 1 1 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.911 0.033 17603 617 1 1 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.766 0.173 17603 618 1 1 . 1 1 108 108 GLU H H 108 8.779 8.779 8.825 -0.046 17603 619 1 1 . 1 1 109 109 THR N N 109 111.822 111.822 114.779 -2.957 17603 620 1 1 . 1 1 109 109 THR HA H 109 4.176 4.176 4.148 0.028 17603 621 1 1 . 1 1 109 109 THR C C 109 178.459 178.459 176.833 1.626 17603 622 1 1 . 1 1 109 109 THR CA C 109 65.535 65.535 67.225 -1.690 17603 623 1 1 . 1 1 109 109 THR CB C 109 67.945 67.945 68.054 -0.109 17603 624 1 1 . 1 1 109 109 THR H H 109 8.576 8.576 8.339 0.237 17603 625 1 1 . 1 1 110 110 GLY N N 110 115.113 115.113 110.345 4.768 17603 626 1 1 . 1 1 110 110 GLY C C 110 175.653 175.653 175.929 -0.276 17603 627 1 1 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.819 0.398 17603 628 1 1 . 1 1 110 110 GLY H H 110 8.521 8.521 8.270 0.251 17603 629 1 1 . 1 1 111 111 VAL N N 111 120.852 120.852 122.925 -2.073 17603 630 1 1 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.682 -0.161 17603 631 1 1 . 1 1 111 111 VAL C C 111 179.689 179.689 178.021 1.668 17603 632 1 1 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.347 0.707 17603 633 1 1 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.742 0.090 17603 634 1 1 . 1 1 111 111 VAL H H 111 8.048 8.048 8.231 -0.183 17603 635 1 1 . 1 1 112 112 ALA N N 112 124.525 124.525 122.482 2.043 17603 636 1 1 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.000 0.142 17603 637 1 1 . 1 1 112 112 ALA C C 112 179.412 179.412 179.281 0.131 17603 638 1 1 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.220 0.203 17603 639 1 1 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.190 0.068 17603 640 1 1 . 1 1 112 112 ALA H H 112 8.255 8.255 8.195 0.060 17603 641 1 1 . 1 1 113 113 ALA N N 113 120.490 120.490 120.647 -0.157 17603 642 1 1 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.199 -0.017 17603 643 1 1 . 1 1 113 113 ALA C C 113 179.965 179.965 179.340 0.625 17603 644 1 1 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.645 0.326 17603 645 1 1 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.549 -0.486 17603 646 1 1 . 1 1 113 113 ALA H H 113 7.861 7.861 8.057 -0.196 17603 647 1 1 . 1 1 114 114 PHE N N 114 120.157 120.157 118.972 1.185 17603 648 1 1 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.281 -0.224 17603 649 1 1 . 1 1 114 114 PHE C C 114 177.765 177.765 177.581 0.184 17603 650 1 1 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.412 -0.479 17603 651 1 1 . 1 1 114 114 PHE CB C 114 39.124 39.124 39.042 0.082 17603 652 1 1 . 1 1 114 114 PHE H H 114 8.126 8.126 8.337 -0.211 17603 653 1 1 . 1 1 115 115 THR N N 115 114.478 114.478 116.113 -1.635 17603 654 1 1 . 1 1 115 115 THR HA H 115 3.470 3.470 3.807 -0.337 17603 655 1 1 . 1 1 115 115 THR C C 115 176.924 176.924 176.601 0.323 17603 656 1 1 . 1 1 115 115 THR CA C 115 67.000 67.000 67.258 -0.258 17603 657 1 1 . 1 1 115 115 THR CB C 115 68.320 68.320 68.325 -0.005 17603 658 1 1 . 1 1 115 115 THR H H 115 8.504 8.504 8.439 0.065 17603 659 1 1 . 1 1 116 116 ASN N N 116 119.632 119.632 118.310 1.322 17603 660 1 1 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.594 -0.094 17603 661 1 1 . 1 1 116 116 ASN C C 116 176.009 176.009 176.284 -0.275 17603 662 1 1 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.214 2.029 17603 663 1 1 . 1 1 116 116 ASN CB C 116 38.600 38.600 37.941 0.659 17603 664 1 1 . 1 1 116 116 ASN H H 116 8.337 8.337 7.685 0.652 17603 665 1 1 . 1 1 117 117 SER N N 117 112.765 112.765 114.052 -1.287 17603 666 1 1 . 1 1 117 117 SER HA H 117 4.590 4.590 4.534 0.056 17603 667 1 1 . 1 1 117 117 SER C C 117 174.808 174.808 174.565 0.243 17603 668 1 1 . 1 1 117 117 SER CA C 117 59.470 59.470 58.832 0.638 17603 669 1 1 . 1 1 117 117 SER CB C 117 64.474 64.474 63.795 0.679 17603 670 1 1 . 1 1 117 117 SER H H 117 7.424 7.424 7.624 -0.200 17603 671 1 1 . 1 1 118 118 LEU N N 118 122.210 122.210 122.768 -0.558 17603 672 1 1 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.387 0.263 17603 673 1 1 . 1 1 118 118 LEU H H 118 7.195 7.195 7.257 -0.062 17603 674 1 1 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.148 0.134 17603 675 1 1 . 1 1 119 119 PRO C C 119 179.207 179.207 178.781 0.426 17603 676 1 1 . 1 1 119 119 PRO CA C 119 66.239 66.239 66.054 0.185 17603 677 1 1 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.291 -0.321 17603 678 1 1 . 1 1 120 120 MET N N 120 112.465 112.465 115.341 -2.876 17603 679 1 1 . 1 1 120 120 MET HA H 120 4.005 4.005 4.167 -0.162 17603 680 1 1 . 1 1 120 120 MET C C 120 178.137 178.137 178.427 -0.290 17603 681 1 1 . 1 1 120 120 MET CA C 120 58.747 58.747 57.696 1.051 17603 682 1 1 . 1 1 120 120 MET CB C 120 32.510 32.510 31.414 1.096 17603 683 1 1 . 1 1 120 120 MET H H 120 7.126 7.126 7.402 -0.276 17603 684 1 1 . 1 1 121 121 LEU N N 121 118.534 118.534 119.830 -1.296 17603 685 1 1 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.925 -0.084 17603 686 1 1 . 1 1 121 121 LEU C C 121 180.140 180.140 179.748 0.392 17603 687 1 1 . 1 1 121 121 LEU CA C 121 57.379 57.379 58.036 -0.657 17603 688 1 1 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.172 0.965 17603 689 1 1 . 1 1 121 121 LEU H H 121 7.695 7.695 7.683 0.012 17603 690 1 1 . 1 1 122 122 GLN N N 122 119.537 119.537 119.147 0.390 17603 691 1 1 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.021 -0.159 17603 692 1 1 . 1 1 122 122 GLN C C 122 176.722 176.722 177.873 -1.151 17603 693 1 1 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.221 0.619 17603 694 1 1 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.765 0.026 17603 695 1 1 . 1 1 122 122 GLN H H 122 8.845 8.845 8.204 0.641 17603 696 1 1 . 1 1 123 123 GLN N N 123 113.333 113.333 115.678 -2.345 17603 697 1 1 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.203 -0.049 17603 698 1 1 . 1 1 123 123 GLN C C 123 174.075 174.075 175.150 -1.075 17603 699 1 1 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.567 -0.558 17603 700 1 1 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.886 0.848 17603 701 1 1 . 1 1 123 123 GLN H H 123 6.862 6.862 7.484 -0.622 17603 702 1 1 . 1 1 124 124 LYS N N 124 114.431 114.431 114.506 -0.075 17603 703 1 1 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.261 2.194 17603 704 1 1 . 1 1 124 124 LYS C C 124 174.727 174.727 175.147 -0.420 17603 705 1 1 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.427 0.022 17603 706 1 1 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.787 -0.404 17603 707 1 1 . 1 1 124 124 LYS H H 124 7.238 7.238 7.498 -0.260 17603 708 1 1 . 1 1 125 125 ARG N N 125 119.411 119.411 118.637 0.774 17603 709 1 1 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.179 0.081 17603 710 1 1 . 1 1 125 125 ARG C C 125 177.251 177.251 176.361 0.890 17603 711 1 1 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.511 -0.938 17603 712 1 1 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.581 -0.370 17603 713 1 1 . 1 1 125 125 ARG H H 125 7.651 7.651 7.676 -0.025 17603 714 1 1 . 1 1 126 126 TRP N N 126 119.823 119.823 123.534 -3.711 17603 715 1 1 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.256 0.066 17603 716 1 1 . 1 1 126 126 TRP C C 126 178.830 178.830 177.702 1.128 17603 717 1 1 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.457 -1.633 17603 718 1 1 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.305 2.156 17603 719 1 1 . 1 1 126 126 TRP H H 126 6.865 6.865 7.442 -0.577 17603 720 1 1 . 1 1 127 127 ASP N N 127 116.894 116.894 117.796 -0.902 17603 721 1 1 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.411 -0.011 17603 722 1 1 . 1 1 127 127 ASP C C 127 178.748 178.748 178.560 0.188 17603 723 1 1 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.986 -0.301 17603 724 1 1 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.814 0.233 17603 725 1 1 . 1 1 127 127 ASP H H 127 8.598 8.598 8.853 -0.255 17603 726 1 1 . 1 1 128 128 GLU N N 128 120.788 120.788 120.308 0.480 17603 727 1 1 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.026 -0.052 17603 728 1 1 . 1 1 128 128 GLU C C 128 180.057 180.057 178.251 1.806 17603 729 1 1 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.110 0.416 17603 730 1 1 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.751 1.120 17603 731 1 1 . 1 1 128 128 GLU H H 128 8.191 8.191 8.366 -0.175 17603 732 1 1 . 1 1 129 129 ALA N N 129 122.103 122.103 122.441 -0.338 17603 733 1 1 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.922 0.048 17603 734 1 1 . 1 1 129 129 ALA C C 129 178.495 178.495 179.567 -1.072 17603 735 1 1 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.241 -0.198 17603 736 1 1 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.291 -0.520 17603 737 1 1 . 1 1 129 129 ALA H H 129 8.587 8.587 8.590 -0.003 17603 738 1 1 . 1 1 130 130 ALA N N 130 119.336 119.336 121.208 -1.872 17603 739 1 1 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.961 0.082 17603 740 1 1 . 1 1 130 130 ALA C C 130 179.804 179.804 179.671 0.133 17603 741 1 1 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.171 0.647 17603 742 1 1 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.490 0.406 17603 743 1 1 . 1 1 130 130 ALA H H 130 8.235 8.235 8.059 0.176 17603 744 1 1 . 1 1 131 131 VAL N N 131 118.685 118.685 118.422 0.263 17603 745 1 1 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.462 0.117 17603 746 1 1 . 1 1 131 131 VAL C C 131 178.078 178.078 178.212 -0.134 17603 747 1 1 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.569 -0.250 17603 748 1 1 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.543 0.592 17603 749 1 1 . 1 1 131 131 VAL H H 131 7.697 7.697 8.177 -0.480 17603 750 1 1 . 1 1 132 132 ASN N N 132 118.648 118.648 117.681 0.967 17603 751 1 1 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.511 -0.250 17603 752 1 1 . 1 1 132 132 ASN C C 132 178.965 178.965 178.533 0.432 17603 753 1 1 . 1 1 132 132 ASN CA C 132 57.172 57.172 55.606 1.566 17603 754 1 1 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.228 1.569 17603 755 1 1 . 1 1 132 132 ASN H H 132 7.569 7.569 8.064 -0.495 17603 756 1 1 . 1 1 133 133 LEU N N 133 120.750 120.750 121.250 -0.500 17603 757 1 1 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.254 -0.028 17603 758 1 1 . 1 1 133 133 LEU C C 133 179.956 179.956 178.878 1.078 17603 759 1 1 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.661 0.416 17603 760 1 1 . 1 1 133 133 LEU CB C 133 44.013 44.013 41.875 2.138 17603 761 1 1 . 1 1 133 133 LEU H H 133 8.903 8.903 8.432 0.471 17603 762 1 1 . 1 1 134 134 ALA N N 134 121.339 121.339 119.018 2.321 17603 763 1 1 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.658 -0.006 17603 764 1 1 . 1 1 134 134 ALA C C 134 176.582 176.582 177.690 -1.108 17603 765 1 1 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.646 -0.451 17603 766 1 1 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.113 -0.577 17603 767 1 1 . 1 1 134 134 ALA H H 134 7.681 7.681 7.408 0.273 17603 768 1 1 . 1 1 135 135 LYS N N 135 116.197 116.197 117.044 -0.847 17603 769 1 1 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.240 0.130 17603 770 1 1 . 1 1 135 135 LYS C C 135 176.573 176.573 177.017 -0.444 17603 771 1 1 . 1 1 135 135 LYS CA C 135 55.564 55.564 56.362 -0.798 17603 772 1 1 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.809 -0.113 17603 773 1 1 . 1 1 135 135 LYS H H 135 7.168 7.168 7.449 -0.281 17603 774 1 1 . 1 1 136 136 SER N N 136 115.115 115.115 114.799 0.316 17603 775 1 1 . 1 1 136 136 SER HA H 136 4.503 4.503 4.548 -0.045 17603 776 1 1 . 1 1 136 136 SER C C 136 174.968 174.968 175.321 -0.353 17603 777 1 1 . 1 1 136 136 SER CA C 136 58.565 58.565 57.486 1.079 17603 778 1 1 . 1 1 136 136 SER CB C 136 66.690 66.690 65.498 1.192 17603 779 1 1 . 1 1 136 136 SER H H 136 7.546 7.546 7.949 -0.403 17603 780 1 1 . 1 1 137 137 ARG N N 137 122.827 122.827 123.294 -0.467 17603 781 1 1 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.173 0.024 17603 782 1 1 . 1 1 137 137 ARG C C 137 178.570 178.570 177.782 0.788 17603 783 1 1 . 1 1 137 137 ARG CA C 137 59.338 59.338 58.795 0.543 17603 784 1 1 . 1 1 137 137 ARG CB C 137 29.792 29.792 29.990 -0.198 17603 785 1 1 . 1 1 137 137 ARG H H 137 8.786 8.786 9.166 -0.380 17603 786 1 1 . 1 1 138 138 TRP N N 138 119.297 119.297 120.153 -0.856 17603 787 1 1 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.412 -0.334 17603 788 1 1 . 1 1 138 138 TRP C C 138 176.101 176.101 177.539 -1.438 17603 789 1 1 . 1 1 138 138 TRP CA C 138 61.807 61.807 59.516 2.291 17603 790 1 1 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.160 -0.385 17603 791 1 1 . 1 1 138 138 TRP H H 138 8.256 8.256 8.198 0.058 17603 792 1 1 . 1 1 139 139 TYR N N 139 117.950 117.950 120.274 -2.324 17603 793 1 1 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.908 -0.792 17603 794 1 1 . 1 1 139 139 TYR C C 139 175.615 175.615 177.662 -2.047 17603 795 1 1 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.626 -0.825 17603 796 1 1 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.510 0.306 17603 797 1 1 . 1 1 139 139 TYR H H 139 7.786 7.786 7.670 0.116 17603 798 1 1 . 1 1 140 140 ASN N N 140 111.511 111.511 116.872 -5.361 17603 799 1 1 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.418 -0.167 17603 800 1 1 . 1 1 140 140 ASN C C 140 176.804 176.804 177.309 -0.505 17603 801 1 1 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.533 -0.174 17603 802 1 1 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.086 1.504 17603 803 1 1 . 1 1 140 140 ASN H H 140 7.115 7.115 7.747 -0.632 17603 804 1 1 . 1 1 141 141 GLN N N 141 117.466 117.466 116.588 0.878 17603 805 1 1 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.099 0.014 17603 806 1 1 . 1 1 141 141 GLN CA C 141 57.729 57.729 58.186 -0.457 17603 807 1 1 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.684 -0.037 17603 808 1 1 . 1 1 141 141 GLN H H 141 7.855 7.855 7.917 -0.062 17603 809 1 1 . 1 1 142 142 THR N N 142 110.630 110.630 109.579 1.051 17603 810 1 1 . 1 1 142 142 THR CA C 142 56.326 56.326 58.934 -2.608 17603 811 1 1 . 1 1 142 142 THR CB C 142 69.490 69.490 69.198 0.292 17603 812 1 1 . 1 1 142 142 THR H H 142 6.964 6.964 7.544 -0.580 17603 813 1 1 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.568 0.093 17603 814 1 1 . 1 1 143 143 PRO C C 143 178.494 178.494 177.667 0.827 17603 815 1 1 . 1 1 143 143 PRO CA C 143 65.612 65.612 65.060 0.552 17603 816 1 1 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.525 0.347 17603 817 1 1 . 1 1 144 144 ASN N N 144 116.334 116.334 116.459 -0.125 17603 818 1 1 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.397 -0.082 17603 819 1 1 . 1 1 144 144 ASN C C 144 177.341 177.341 177.512 -0.171 17603 820 1 1 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.265 0.403 17603 821 1 1 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.402 0.264 17603 822 1 1 . 1 1 144 144 ASN H H 144 7.971 7.971 8.584 -0.613 17603 823 1 1 . 1 1 145 145 ARG N N 145 121.642 121.642 120.559 1.083 17603 824 1 1 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.132 -0.202 17603 825 1 1 . 1 1 145 145 ARG C C 145 177.087 177.087 178.408 -1.321 17603 826 1 1 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.568 -1.433 17603 827 1 1 . 1 1 145 145 ARG CB C 145 31.455 31.455 29.914 1.541 17603 828 1 1 . 1 1 145 145 ARG H H 145 7.750 7.750 8.071 -0.321 17603 829 1 1 . 1 1 146 146 ALA N N 146 119.316 119.316 122.334 -3.018 17603 830 1 1 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.493 -0.635 17603 831 1 1 . 1 1 146 146 ALA C C 146 179.664 179.664 178.830 0.834 17603 832 1 1 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.156 0.385 17603 833 1 1 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.500 1.515 17603 834 1 1 . 1 1 146 146 ALA H H 146 8.429 8.429 8.434 -0.005 17603 835 1 1 . 1 1 147 147 LYS N N 147 116.714 116.714 119.423 -2.709 17603 836 1 1 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.045 -0.004 17603 837 1 1 . 1 1 147 147 LYS C C 147 179.974 179.974 178.987 0.987 17603 838 1 1 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.904 0.825 17603 839 1 1 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.366 0.422 17603 840 1 1 . 1 1 147 147 LYS H H 147 8.253 8.253 8.135 0.118 17603 841 1 1 . 1 1 148 148 ARG N N 148 119.234 119.234 118.698 0.536 17603 842 1 1 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.954 -0.121 17603 843 1 1 . 1 1 148 148 ARG C C 148 180.146 180.146 178.966 1.180 17603 844 1 1 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.413 1.380 17603 845 1 1 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.089 0.149 17603 846 1 1 . 1 1 148 148 ARG H H 148 7.279 7.279 7.898 -0.619 17603 847 1 1 . 1 1 149 149 VAL N N 149 125.307 125.307 120.508 4.799 17603 848 1 1 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.769 -0.312 17603 849 1 1 . 1 1 149 149 VAL C C 149 178.460 178.460 178.278 0.182 17603 850 1 1 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.562 1.605 17603 851 1 1 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.983 0.472 17603 852 1 1 . 1 1 149 149 VAL H H 149 8.816 8.816 7.656 1.160 17603 853 1 1 . 1 1 150 150 ILE N N 150 121.097 121.097 120.954 0.143 17603 854 1 1 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.932 -0.046 17603 855 1 1 . 1 1 150 150 ILE C C 150 178.378 178.378 178.159 0.219 17603 856 1 1 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.873 1.495 17603 857 1 1 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.867 -0.168 17603 858 1 1 . 1 1 150 150 ILE H H 150 9.547 9.547 8.919 0.628 17603 859 1 1 . 1 1 151 151 THR N N 151 117.959 117.959 116.801 1.158 17603 860 1 1 . 1 1 151 151 THR HA H 151 3.933 3.933 4.038 -0.105 17603 861 1 1 . 1 1 151 151 THR C C 151 176.283 176.283 176.565 -0.282 17603 862 1 1 . 1 1 151 151 THR CA C 151 67.403 67.403 67.652 -0.249 17603 863 1 1 . 1 1 151 151 THR CB C 151 68.172 68.172 68.360 -0.188 17603 864 1 1 . 1 1 151 151 THR H H 151 8.444 8.444 8.534 -0.090 17603 865 1 1 . 1 1 152 152 THR N N 152 122.010 122.010 119.752 2.258 17603 866 1 1 . 1 1 152 152 THR HA H 152 3.944 3.944 4.197 -0.253 17603 867 1 1 . 1 1 152 152 THR C C 152 176.671 176.671 176.310 0.361 17603 868 1 1 . 1 1 152 152 THR CA C 152 67.498 67.498 66.878 0.620 17603 869 1 1 . 1 1 152 152 THR H H 152 7.964 7.964 7.777 0.187 17603 870 1 1 . 1 1 153 153 PHE N N 153 120.387 120.387 121.230 -0.843 17603 871 1 1 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.113 -0.160 17603 872 1 1 . 1 1 153 153 PHE C C 153 178.321 178.321 177.386 0.935 17603 873 1 1 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.601 1.108 17603 874 1 1 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.398 0.942 17603 875 1 1 . 1 1 153 153 PHE H H 153 8.375 8.375 8.239 0.136 17603 876 1 1 . 1 1 154 154 ARG N N 154 118.015 118.015 119.661 -1.646 17603 877 1 1 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.179 -0.109 17603 878 1 1 . 1 1 154 154 ARG C C 154 178.076 178.076 178.479 -0.403 17603 879 1 1 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.905 0.457 17603 880 1 1 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.547 0.999 17603 881 1 1 . 1 1 154 154 ARG H H 154 8.795 8.795 8.436 0.359 17603 882 1 1 . 1 1 155 155 THR N N 155 104.622 104.622 108.863 -4.241 17603 883 1 1 . 1 1 155 155 THR HA H 155 4.252 4.252 4.305 -0.053 17603 884 1 1 . 1 1 155 155 THR C C 155 176.765 176.765 175.772 0.993 17603 885 1 1 . 1 1 155 155 THR CA C 155 62.470 62.470 62.125 0.345 17603 886 1 1 . 1 1 155 155 THR CB C 155 71.330 71.330 69.930 1.400 17603 887 1 1 . 1 1 155 155 THR H H 155 8.169 8.169 7.914 0.255 17603 888 1 1 . 1 1 156 156 GLY N N 156 111.689 111.689 112.339 -0.650 17603 889 1 1 . 1 1 156 156 GLY C C 156 172.933 172.933 174.177 -1.244 17603 890 1 1 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.931 0.236 17603 891 1 1 . 1 1 156 156 GLY H H 156 8.491 8.491 8.025 0.466 17603 892 1 1 . 1 1 157 157 THR N N 157 108.301 108.301 110.528 -2.227 17603 893 1 1 . 1 1 157 157 THR HA H 157 4.637 4.637 4.377 0.260 17603 894 1 1 . 1 1 157 157 THR C C 157 174.086 174.086 173.025 1.061 17603 895 1 1 . 1 1 157 157 THR CA C 157 58.748 58.748 59.409 -0.661 17603 896 1 1 . 1 1 157 157 THR CB C 157 72.418 72.418 71.510 0.908 17603 897 1 1 . 1 1 157 157 THR H H 157 7.603 7.603 7.259 0.344 17603 898 1 1 . 1 1 158 158 TRP N N 158 118.038 118.038 119.652 -1.614 17603 899 1 1 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.932 0.132 17603 900 1 1 . 1 1 158 158 TRP C C 158 177.922 177.922 176.845 1.077 17603 901 1 1 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.443 -0.097 17603 902 1 1 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.354 0.425 17603 903 1 1 . 1 1 158 158 TRP H H 158 8.602 8.602 8.606 -0.004 17603 904 1 1 . 1 1 159 159 ASP N N 159 119.620 119.620 122.118 -2.498 17603 905 1 1 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.461 -0.268 17603 906 1 1 . 1 1 159 159 ASP C C 159 177.407 177.407 178.076 -0.669 17603 907 1 1 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.608 1.171 17603 908 1 1 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.261 0.413 17603 909 1 1 . 1 1 159 159 ASP H H 159 7.909 7.909 7.812 0.097 17603 910 1 1 . 1 1 160 160 ALA N N 160 119.985 119.985 121.171 -1.186 17603 911 1 1 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.184 0.017 17603 912 1 1 . 1 1 160 160 ALA C C 160 177.362 177.362 177.925 -0.563 17603 913 1 1 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.680 0.049 17603 914 1 1 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.539 0.079 17603 915 1 1 . 1 1 160 160 ALA H H 160 9.187 9.187 8.354 0.833 17603 916 1 1 . 1 1 161 161 TYR N N 161 113.735 113.735 113.245 0.490 17603 917 1 1 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.641 -0.394 17603 918 1 1 . 1 1 161 161 TYR C C 161 175.125 175.125 177.441 -2.316 17603 919 1 1 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.263 0.646 17603 920 1 1 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.442 0.414 17603 921 1 1 . 1 1 161 161 TYR H H 161 8.061 8.061 8.031 0.030 17603 922 1 1 . 1 1 162 162 LYS N N 162 119.491 119.491 120.617 -1.126 17603 923 1 1 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.163 -0.014 17603 924 1 1 . 1 1 162 162 LYS C C 162 176.030 176.030 177.727 -1.697 17603 925 1 1 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.377 -0.919 17603 926 1 1 . 1 1 162 162 LYS CB C 162 29.128 29.128 31.926 -2.798 17603 927 1 1 . 1 1 162 162 LYS H H 162 7.262 7.262 7.666 -0.404 17603 928 1 1 . 1 1 163 163 ASN N N 163 117.131 117.131 115.965 1.166 17603 929 1 1 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.682 -0.092 17603 930 1 1 . 1 1 163 163 ASN C C 163 173.691 173.691 175.323 -1.632 17603 931 1 1 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.506 0.378 17603 932 1 1 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.061 -0.919 17603 933 1 1 . 1 1 163 163 ASN H H 163 8.457 8.457 8.407 0.050 17603 934 1 2 . 1 1 2 2 ASN N N 2 115.826 115.826 119.788 -3.962 17603 935 1 2 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.578 -0.111 17603 936 1 2 . 1 1 2 2 ASN C C 2 174.640 174.640 174.594 0.046 17603 937 1 2 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.054 -0.140 17603 938 1 2 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.060 0.184 17603 939 1 2 . 1 1 2 2 ASN H H 2 6.923 6.923 7.737 -0.814 17603 940 1 2 . 1 1 3 3 ILE N N 3 116.880 116.880 119.968 -3.088 17603 941 1 2 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.879 0.198 17603 942 1 2 . 1 1 3 3 ILE C C 3 174.099 174.099 176.435 -2.336 17603 943 1 2 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.957 -1.326 17603 944 1 2 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.916 0.276 17603 945 1 2 . 1 1 3 3 ILE H H 3 8.815 8.815 8.500 0.315 17603 946 1 2 . 1 1 4 4 PHE N N 4 121.992 121.992 118.785 3.207 17603 947 1 2 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.189 -0.160 17603 948 1 2 . 1 1 4 4 PHE C C 4 177.093 177.093 178.078 -0.985 17603 949 1 2 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.280 -1.272 17603 950 1 2 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.378 -0.218 17603 951 1 2 . 1 1 4 4 PHE H H 4 7.336 7.336 8.035 -0.699 17603 952 1 2 . 1 1 5 5 GLU N N 5 118.284 118.284 119.561 -1.277 17603 953 1 2 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.908 -0.127 17603 954 1 2 . 1 1 5 5 GLU C C 5 178.340 178.340 179.047 -0.707 17603 955 1 2 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.168 -0.519 17603 956 1 2 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.406 0.950 17603 957 1 2 . 1 1 5 5 GLU H H 5 7.892 7.892 8.595 -0.703 17603 958 1 2 . 1 1 6 6 MET N N 6 118.546 118.546 120.915 -2.369 17603 959 1 2 . 1 1 6 6 MET HA H 6 3.314 3.314 3.793 -0.479 17603 960 1 2 . 1 1 6 6 MET C C 6 177.078 177.078 178.045 -0.967 17603 961 1 2 . 1 1 6 6 MET CA C 6 58.988 58.988 59.250 -0.262 17603 962 1 2 . 1 1 6 6 MET CB C 6 34.498 34.498 32.597 1.901 17603 963 1 2 . 1 1 6 6 MET H H 6 7.946 7.946 8.386 -0.440 17603 964 1 2 . 1 1 7 7 LEU N N 7 116.516 116.516 118.299 -1.783 17603 965 1 2 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.952 0.016 17603 966 1 2 . 1 1 7 7 LEU C C 7 178.579 178.579 178.745 -0.166 17603 967 1 2 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.464 0.141 17603 968 1 2 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.275 0.619 17603 969 1 2 . 1 1 7 7 LEU H H 7 7.969 7.969 8.230 -0.261 17603 970 1 2 . 1 1 8 8 ARG N N 8 120.793 120.793 120.127 0.666 17603 971 1 2 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.857 -0.298 17603 972 1 2 . 1 1 8 8 ARG C C 8 180.018 180.018 178.768 1.250 17603 973 1 2 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.334 1.912 17603 974 1 2 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.252 0.266 17603 975 1 2 . 1 1 8 8 ARG H H 8 8.161 8.161 8.131 0.030 17603 976 1 2 . 1 1 9 9 ILE N N 9 120.805 120.805 118.504 2.301 17603 977 1 2 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.786 -0.213 17603 978 1 2 . 1 1 9 9 ILE C C 9 177.878 177.878 177.290 0.588 17603 979 1 2 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.779 0.497 17603 980 1 2 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.080 0.194 17603 981 1 2 . 1 1 9 9 ILE H H 9 7.628 7.628 7.968 -0.340 17603 982 1 2 . 1 1 10 10 ASP N N 10 118.172 118.172 117.797 0.375 17603 983 1 2 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.622 -0.216 17603 984 1 2 . 1 1 10 10 ASP C C 10 178.041 178.041 178.093 -0.052 17603 985 1 2 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.932 1.362 17603 986 1 2 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.159 0.712 17603 987 1 2 . 1 1 10 10 ASP H H 10 7.999 7.999 7.994 0.005 17603 988 1 2 . 1 1 11 11 GLU N N 11 115.562 115.562 115.800 -0.238 17603 989 1 2 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.554 0.087 17603 990 1 2 . 1 1 11 11 GLU C C 11 178.197 178.197 177.503 0.694 17603 991 1 2 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.155 -0.051 17603 992 1 2 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.318 -0.223 17603 993 1 2 . 1 1 11 11 GLU H H 11 8.855 8.855 8.300 0.555 17603 994 1 2 . 1 1 12 12 GLY N N 12 109.971 109.971 108.616 1.355 17603 995 1 2 . 1 1 12 12 GLY C C 12 170.049 170.049 171.890 -1.841 17603 996 1 2 . 1 1 12 12 GLY CA C 12 44.694 44.694 45.001 -0.306 17603 997 1 2 . 1 1 12 12 GLY H H 12 7.550 7.550 7.953 -0.403 17603 998 1 2 . 1 1 13 13 LEU N N 13 117.547 117.547 121.461 -3.914 17603 999 1 2 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.035 -0.577 17603 1000 1 2 . 1 1 13 13 LEU C C 13 175.566 175.566 175.117 0.449 17603 1001 1 2 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.521 0.051 17603 1002 1 2 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.632 -0.765 17603 1003 1 2 . 1 1 13 13 LEU H H 13 7.755 7.755 8.212 -0.457 17603 1004 1 2 . 1 1 14 14 ARG N N 14 126.722 126.722 125.082 1.640 17603 1005 1 2 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.655 0.030 17603 1006 1 2 . 1 1 14 14 ARG C C 14 175.979 175.979 175.903 0.076 17603 1007 1 2 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.878 -0.615 17603 1008 1 2 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.430 0.388 17603 1009 1 2 . 1 1 14 14 ARG H H 14 8.214 8.214 8.227 -0.013 17603 1010 1 2 . 1 1 15 15 LEU N N 15 123.112 123.112 121.327 1.785 17603 1011 1 2 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.387 -0.042 17603 1012 1 2 . 1 1 15 15 LEU C C 15 173.808 173.808 176.046 -2.238 17603 1013 1 2 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.072 -0.298 17603 1014 1 2 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.307 -2.535 17603 1015 1 2 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 1016 1 2 . 1 1 16 16 LYS N N 16 115.048 115.048 119.352 -4.304 17603 1017 1 2 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.259 0.097 17603 1018 1 2 . 1 1 16 16 LYS C C 16 176.072 176.072 176.750 -0.678 17603 1019 1 2 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.200 -0.327 17603 1020 1 2 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.227 0.734 17603 1021 1 2 . 1 1 16 16 LYS H H 16 7.124 7.124 7.317 -0.193 17603 1022 1 2 . 1 1 17 17 ILE N N 17 120.916 120.916 126.319 -5.403 17603 1023 1 2 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.285 -0.177 17603 1024 1 2 . 1 1 17 17 ILE C C 17 174.826 174.826 176.486 -1.660 17603 1025 1 2 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.462 0.484 17603 1026 1 2 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.371 1.111 17603 1027 1 2 . 1 1 17 17 ILE H H 17 7.555 7.555 8.255 -0.700 17603 1028 1 2 . 1 1 18 18 TYR N N 18 128.021 128.021 125.973 2.048 17603 1029 1 2 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.112 -0.036 17603 1030 1 2 . 1 1 18 18 TYR C C 18 172.698 172.698 173.519 -0.821 17603 1031 1 2 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.288 0.318 17603 1032 1 2 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.904 0.610 17603 1033 1 2 . 1 1 18 18 TYR H H 18 9.340 9.340 9.083 0.257 17603 1034 1 2 . 1 1 19 19 LYS N N 19 122.578 122.578 120.907 1.671 17603 1035 1 2 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.544 -0.011 17603 1036 1 2 . 1 1 19 19 LYS C C 19 175.823 175.823 176.214 -0.391 17603 1037 1 2 . 1 1 19 19 LYS CA C 19 55.106 55.106 54.998 0.108 17603 1038 1 2 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.866 0.354 17603 1039 1 2 . 1 1 19 19 LYS H H 19 8.260 8.260 8.409 -0.149 17603 1040 1 2 . 1 1 20 20 ASP N N 20 125.695 125.695 124.463 1.232 17603 1041 1 2 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.733 -0.142 17603 1042 1 2 . 1 1 20 20 ASP C C 20 178.065 178.065 178.308 -0.243 17603 1043 1 2 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.164 -0.380 17603 1044 1 2 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.602 -0.682 17603 1045 1 2 . 1 1 20 20 ASP H H 20 8.517 8.517 8.824 -0.307 17603 1046 1 2 . 1 1 21 21 THR N N 21 110.206 110.206 109.443 0.763 17603 1047 1 2 . 1 1 21 21 THR HA H 21 3.982 3.982 4.059 -0.077 17603 1048 1 2 . 1 1 21 21 THR C C 21 175.854 175.854 175.746 0.108 17603 1049 1 2 . 1 1 21 21 THR CA C 21 65.025 65.025 64.857 0.168 17603 1050 1 2 . 1 1 21 21 THR CB C 21 68.796 68.796 68.848 -0.052 17603 1051 1 2 . 1 1 21 21 THR H H 21 7.953 7.953 8.552 -0.599 17603 1052 1 2 . 1 1 22 22 GLU N N 22 120.359 120.359 119.934 0.425 17603 1053 1 2 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.263 -0.090 17603 1054 1 2 . 1 1 22 22 GLU C C 22 175.597 175.597 176.358 -0.761 17603 1055 1 2 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.889 0.409 17603 1056 1 2 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.943 0.410 17603 1057 1 2 . 1 1 22 22 GLU H H 22 8.013 8.013 8.106 -0.093 17603 1058 1 2 . 1 1 23 23 GLY N N 23 106.729 106.729 106.735 -0.006 17603 1059 1 2 . 1 1 23 23 GLY C C 23 173.526 173.526 174.046 -0.520 17603 1060 1 2 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.042 -0.076 17603 1061 1 2 . 1 1 23 23 GLY H H 23 7.841 7.841 7.799 0.042 17603 1062 1 2 . 1 1 24 24 TYR N N 24 120.577 120.577 119.501 1.076 17603 1063 1 2 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.504 0.371 17603 1064 1 2 . 1 1 24 24 TYR C C 24 177.535 177.535 175.775 1.760 17603 1065 1 2 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.449 -1.206 17603 1066 1 2 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.068 -0.767 17603 1067 1 2 . 1 1 24 24 TYR H H 24 8.116 8.116 8.058 0.058 17603 1068 1 2 . 1 1 25 25 TYR N N 25 122.385 122.385 123.181 -0.796 17603 1069 1 2 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.880 0.055 17603 1070 1 2 . 1 1 25 25 TYR C C 25 175.310 175.310 176.186 -0.876 17603 1071 1 2 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.000 -0.206 17603 1072 1 2 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.873 2.020 17603 1073 1 2 . 1 1 25 25 TYR H H 25 8.679 8.679 8.873 -0.194 17603 1074 1 2 . 1 1 26 26 THR N N 26 120.628 120.628 118.026 2.602 17603 1075 1 2 . 1 1 26 26 THR HA H 26 5.179 5.179 5.025 0.154 17603 1076 1 2 . 1 1 26 26 THR C C 26 180.259 180.259 172.590 7.669 17603 1077 1 2 . 1 1 26 26 THR CA C 26 61.015 61.015 61.258 -0.242 17603 1078 1 2 . 1 1 26 26 THR CB C 26 72.424 72.424 72.370 0.054 17603 1079 1 2 . 1 1 26 26 THR H H 26 9.362 9.362 9.054 0.308 17603 1080 1 2 . 1 1 27 27 ILE N N 27 120.468 120.468 120.659 -0.191 17603 1081 1 2 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.509 0.037 17603 1082 1 2 . 1 1 27 27 ILE C C 27 172.440 172.440 174.631 -2.191 17603 1083 1 2 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.789 0.718 17603 1084 1 2 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.029 1.154 17603 1085 1 2 . 1 1 27 27 ILE H H 27 8.814 8.814 8.497 0.317 17603 1086 1 2 . 1 1 28 28 GLY N N 28 112.172 112.172 112.806 -0.634 17603 1087 1 2 . 1 1 28 28 GLY C C 28 174.772 174.772 174.197 0.575 17603 1088 1 2 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.075 -0.078 17603 1089 1 2 . 1 1 28 28 GLY H H 28 8.553 8.553 8.799 -0.246 17603 1090 1 2 . 1 1 29 29 ILE N N 29 133.320 133.320 125.122 8.198 17603 1091 1 2 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.419 0.407 17603 1092 1 2 . 1 1 29 29 ILE C C 29 176.677 176.677 176.624 0.053 17603 1093 1 2 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.781 -1.569 17603 1094 1 2 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.732 -0.871 17603 1095 1 2 . 1 1 29 29 ILE H H 29 10.142 10.142 8.651 1.491 17603 1096 1 2 . 1 1 30 30 GLY N N 30 108.192 108.192 112.494 -4.302 17603 1097 1 2 . 1 1 30 30 GLY C C 30 173.131 173.131 174.229 -1.098 17603 1098 1 2 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.043 1.148 17603 1099 1 2 . 1 1 30 30 GLY H H 30 8.121 8.121 8.387 -0.266 17603 1100 1 2 . 1 1 31 31 HIS N N 31 115.740 115.740 120.107 -4.367 17603 1101 1 2 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.589 -0.288 17603 1102 1 2 . 1 1 31 31 HIS C C 31 173.495 173.495 174.531 -1.036 17603 1103 1 2 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.679 1.995 17603 1104 1 2 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.639 -2.068 17603 1105 1 2 . 1 1 31 31 HIS H H 31 8.266 8.266 8.382 -0.116 17603 1106 1 2 . 1 1 32 32 LEU N N 32 132.140 132.140 128.529 3.611 17603 1107 1 2 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.971 0.118 17603 1108 1 2 . 1 1 32 32 LEU C C 32 176.486 176.486 175.683 0.803 17603 1109 1 2 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.387 0.453 17603 1110 1 2 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.168 -0.234 17603 1111 1 2 . 1 1 32 32 LEU H H 32 7.873 7.873 8.698 -0.825 17603 1112 1 2 . 1 1 33 33 LEU N N 33 125.594 125.594 126.222 -0.628 17603 1113 1 2 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.337 0.099 17603 1114 1 2 . 1 1 33 33 LEU C C 33 176.139 176.139 177.121 -0.982 17603 1115 1 2 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.909 -0.227 17603 1116 1 2 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.073 0.376 17603 1117 1 2 . 1 1 33 33 LEU H H 33 9.060 9.060 8.757 0.303 17603 1118 1 2 . 1 1 34 34 THR N N 34 109.512 109.512 109.027 0.485 17603 1119 1 2 . 1 1 34 34 THR HA H 34 4.485 4.485 4.386 0.099 17603 1120 1 2 . 1 1 34 34 THR C C 34 171.666 171.666 172.297 -0.631 17603 1121 1 2 . 1 1 34 34 THR CA C 34 60.278 60.278 61.351 -1.073 17603 1122 1 2 . 1 1 34 34 THR CB C 34 67.479 67.479 71.444 -3.965 17603 1123 1 2 . 1 1 34 34 THR H H 34 7.266 7.266 7.368 -0.102 17603 1124 1 2 . 1 1 35 35 LYS N N 35 125.041 125.041 122.563 2.478 17603 1125 1 2 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.012 0.282 17603 1126 1 2 . 1 1 35 35 LYS C C 35 176.714 176.714 176.754 -0.040 17603 1127 1 2 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.899 0.456 17603 1128 1 2 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.278 0.108 17603 1129 1 2 . 1 1 35 35 LYS H H 35 8.556 8.556 8.276 0.280 17603 1130 1 2 . 1 1 36 36 SER N N 36 119.417 119.417 117.696 1.721 17603 1131 1 2 . 1 1 36 36 SER CA C 36 57.016 57.016 56.304 0.712 17603 1132 1 2 . 1 1 36 36 SER CB C 36 64.053 64.053 63.773 0.280 17603 1133 1 2 . 1 1 36 36 SER H H 36 8.671 8.671 7.811 0.860 17603 1134 1 2 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.577 0.257 17603 1135 1 2 . 1 1 37 37 PRO C C 37 177.182 177.182 176.803 0.379 17603 1136 1 2 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.431 0.286 17603 1137 1 2 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.939 -1.287 17603 1138 1 2 . 1 1 38 38 SER N N 38 116.310 116.310 116.097 0.213 17603 1139 1 2 . 1 1 38 38 SER HA H 38 4.703 4.703 4.569 0.134 17603 1140 1 2 . 1 1 38 38 SER C C 38 174.405 174.405 175.309 -0.904 17603 1141 1 2 . 1 1 38 38 SER CA C 38 56.494 56.494 56.684 -0.190 17603 1142 1 2 . 1 1 38 38 SER CB C 38 63.608 63.608 63.577 0.031 17603 1143 1 2 . 1 1 38 38 SER H H 38 8.189 8.189 7.747 0.442 17603 1144 1 2 . 1 1 39 39 LEU N N 39 132.784 132.784 130.481 2.303 17603 1145 1 2 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.347 0.008 17603 1146 1 2 . 1 1 39 39 LEU C C 39 178.441 178.441 177.567 0.874 17603 1147 1 2 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.142 0.116 17603 1148 1 2 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.846 -0.361 17603 1149 1 2 . 1 1 39 39 LEU H H 39 8.916 8.916 8.790 0.126 17603 1150 1 2 . 1 1 40 40 ASN N N 40 116.840 116.840 117.513 -0.673 17603 1151 1 2 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.340 -0.077 17603 1152 1 2 . 1 1 40 40 ASN C C 40 178.226 178.226 177.433 0.793 17603 1153 1 2 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.975 0.363 17603 1154 1 2 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.630 0.093 17603 1155 1 2 . 1 1 40 40 ASN H H 40 8.255 8.255 8.218 0.037 17603 1156 1 2 . 1 1 41 41 ALA N N 41 123.964 123.964 122.974 0.990 17603 1157 1 2 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.995 0.199 17603 1158 1 2 . 1 1 41 41 ALA C C 41 179.835 179.835 178.891 0.944 17603 1159 1 2 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.926 -0.058 17603 1160 1 2 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.352 -0.480 17603 1161 1 2 . 1 1 41 41 ALA H H 41 7.710 7.710 7.592 0.118 17603 1162 1 2 . 1 1 42 42 ALA N N 42 121.099 121.099 121.294 -0.195 17603 1163 1 2 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.869 -0.119 17603 1164 1 2 . 1 1 42 42 ALA C C 42 178.838 178.838 179.449 -0.611 17603 1165 1 2 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.100 0.433 17603 1166 1 2 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.078 0.498 17603 1167 1 2 . 1 1 42 42 ALA H H 42 7.571 7.571 7.854 -0.283 17603 1168 1 2 . 1 1 43 43 LYS N N 43 117.308 117.308 118.132 -0.824 17603 1169 1 2 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.890 -0.236 17603 1170 1 2 . 1 1 43 43 LYS C C 43 177.511 177.511 178.919 -1.408 17603 1171 1 2 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.714 0.945 17603 1172 1 2 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.137 0.290 17603 1173 1 2 . 1 1 43 43 LYS H H 43 8.377 8.377 8.248 0.129 17603 1174 1 2 . 1 1 44 44 SER N N 44 114.066 114.066 115.250 -1.184 17603 1175 1 2 . 1 1 44 44 SER HA H 44 4.256 4.256 4.165 0.091 17603 1176 1 2 . 1 1 44 44 SER C C 44 177.894 177.894 176.607 1.287 17603 1177 1 2 . 1 1 44 44 SER CA C 44 61.764 61.764 61.394 0.370 17603 1178 1 2 . 1 1 44 44 SER CB C 44 62.722 62.722 62.552 0.170 17603 1179 1 2 . 1 1 44 44 SER H H 44 7.895 7.895 8.144 -0.249 17603 1180 1 2 . 1 1 45 45 GLU N N 45 120.349 120.349 121.229 -0.880 17603 1181 1 2 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.042 0.065 17603 1182 1 2 . 1 1 45 45 GLU C C 45 179.336 179.336 179.148 0.188 17603 1183 1 2 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.997 -0.571 17603 1184 1 2 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.325 0.023 17603 1185 1 2 . 1 1 45 45 GLU H H 45 7.988 7.988 7.879 0.109 17603 1186 1 2 . 1 1 46 46 LEU N N 46 122.887 122.887 122.338 0.549 17603 1187 1 2 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.061 -0.123 17603 1188 1 2 . 1 1 46 46 LEU C C 46 177.291 177.291 178.299 -1.008 17603 1189 1 2 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.187 -0.538 17603 1190 1 2 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.658 -0.042 17603 1191 1 2 . 1 1 46 46 LEU H H 46 8.286 8.286 8.317 -0.031 17603 1192 1 2 . 1 1 47 47 ASP N N 47 120.418 120.418 119.881 0.537 17603 1193 1 2 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.490 0.270 17603 1194 1 2 . 1 1 47 47 ASP C C 47 180.926 180.926 179.128 1.798 17603 1195 1 2 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.419 -0.101 17603 1196 1 2 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.253 -0.224 17603 1197 1 2 . 1 1 47 47 ASP H H 47 8.553 8.553 8.425 0.128 17603 1198 1 2 . 1 1 48 48 LYS N N 48 120.743 120.743 120.006 0.737 17603 1199 1 2 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.063 -0.060 17603 1200 1 2 . 1 1 48 48 LYS C C 48 178.198 178.198 178.305 -0.107 17603 1201 1 2 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.870 0.311 17603 1202 1 2 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.593 0.111 17603 1203 1 2 . 1 1 48 48 LYS H H 48 7.747 7.747 7.931 -0.184 17603 1204 1 2 . 1 1 49 49 ALA N N 49 121.258 121.258 121.929 -0.671 17603 1205 1 2 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.214 -0.058 17603 1206 1 2 . 1 1 49 49 ALA C C 49 179.386 179.386 179.199 0.187 17603 1207 1 2 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.551 -0.079 17603 1208 1 2 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.974 -0.740 17603 1209 1 2 . 1 1 49 49 ALA H H 49 7.925 7.925 7.967 -0.042 17603 1210 1 2 . 1 1 50 50 ILE N N 50 114.806 114.806 115.949 -1.143 17603 1211 1 2 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.053 0.025 17603 1212 1 2 . 1 1 50 50 ILE C C 50 177.205 177.205 177.211 -0.006 17603 1213 1 2 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.051 -1.949 17603 1214 1 2 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.428 -1.134 17603 1215 1 2 . 1 1 50 50 ILE H H 50 8.323 8.323 7.715 0.608 17603 1216 1 2 . 1 1 51 51 GLY N N 51 109.238 109.238 109.792 -0.554 17603 1217 1 2 . 1 1 51 51 GLY C C 51 173.771 173.771 173.778 -0.007 17603 1218 1 2 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.155 0.767 17603 1219 1 2 . 1 1 51 51 GLY H H 51 8.340 8.340 8.381 -0.041 17603 1220 1 2 . 1 1 52 52 ARG N N 52 115.526 115.526 116.552 -1.026 17603 1221 1 2 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.523 0.034 17603 1222 1 2 . 1 1 52 52 ARG C C 52 172.391 172.391 173.395 -1.004 17603 1223 1 2 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.815 0.265 17603 1224 1 2 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.306 -0.099 17603 1225 1 2 . 1 1 52 52 ARG H H 52 7.656 7.656 7.633 0.023 17603 1226 1 2 . 1 1 53 53 ASN N N 53 115.684 115.684 120.471 -4.787 17603 1227 1 2 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.948 -0.252 17603 1228 1 2 . 1 1 53 53 ASN C C 53 175.491 175.491 174.994 0.497 17603 1229 1 2 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.822 0.329 17603 1230 1 2 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.711 -1.034 17603 1231 1 2 . 1 1 53 53 ASN H H 53 8.241 8.241 8.687 -0.446 17603 1232 1 2 . 1 1 54 54 THR N N 54 119.609 119.609 118.029 1.580 17603 1233 1 2 . 1 1 54 54 THR HA H 54 4.300 4.300 4.499 -0.199 17603 1234 1 2 . 1 1 54 54 THR C C 54 177.264 177.264 174.678 2.586 17603 1235 1 2 . 1 1 54 54 THR CA C 54 63.701 63.701 60.891 2.810 17603 1236 1 2 . 1 1 54 54 THR CB C 54 70.615 70.615 70.612 0.003 17603 1237 1 2 . 1 1 54 54 THR H H 54 9.034 9.034 8.773 0.261 17603 1238 1 2 . 1 1 55 55 ASN N N 55 120.027 120.027 118.443 1.584 17603 1239 1 2 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.692 -0.308 17603 1240 1 2 . 1 1 55 55 ASN C C 55 175.774 175.774 175.667 0.107 17603 1241 1 2 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.028 2.398 17603 1242 1 2 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.711 -0.066 17603 1243 1 2 . 1 1 55 55 ASN H H 55 9.426 9.426 8.343 1.083 17603 1244 1 2 . 1 1 56 56 GLY N N 56 103.056 103.056 108.242 -5.186 17603 1245 1 2 . 1 1 56 56 GLY C C 56 172.072 172.072 172.911 -0.839 17603 1246 1 2 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.166 0.020 17603 1247 1 2 . 1 1 56 56 GLY H H 56 8.662 8.662 7.792 0.870 17603 1248 1 2 . 1 1 57 57 VAL N N 57 119.999 119.999 118.575 1.424 17603 1249 1 2 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.293 -0.164 17603 1250 1 2 . 1 1 57 57 VAL C C 57 174.971 174.971 174.888 0.083 17603 1251 1 2 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.693 1.328 17603 1252 1 2 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.643 0.528 17603 1253 1 2 . 1 1 57 57 VAL H H 57 7.444 7.444 7.424 0.020 17603 1254 1 2 . 1 1 58 58 ILE N N 58 116.746 116.746 121.365 -4.619 17603 1255 1 2 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.096 -0.250 17603 1256 1 2 . 1 1 58 58 ILE C C 58 175.376 175.376 175.217 0.159 17603 1257 1 2 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.917 0.722 17603 1258 1 2 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.932 -0.060 17603 1259 1 2 . 1 1 58 58 ILE H H 58 8.562 8.562 9.077 -0.515 17603 1260 1 2 . 1 1 59 59 THR N N 59 109.208 109.208 112.615 -3.407 17603 1261 1 2 . 1 1 59 59 THR HA H 59 4.632 4.632 4.663 -0.031 17603 1262 1 2 . 1 1 59 59 THR C C 59 176.431 176.431 174.816 1.615 17603 1263 1 2 . 1 1 59 59 THR CA C 59 59.899 59.899 60.187 -0.288 17603 1264 1 2 . 1 1 59 59 THR CB C 59 71.419 71.419 70.293 1.126 17603 1265 1 2 . 1 1 59 59 THR H H 59 8.682 8.682 9.059 -0.377 17603 1266 1 2 . 1 1 60 60 LYS N N 60 121.442 121.442 121.694 -0.252 17603 1267 1 2 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.961 -0.122 17603 1268 1 2 . 1 1 60 60 LYS C C 60 178.238 178.238 178.334 -0.096 17603 1269 1 2 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.465 0.298 17603 1270 1 2 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.268 -0.252 17603 1271 1 2 . 1 1 60 60 LYS H H 60 9.097 9.097 8.820 0.277 17603 1272 1 2 . 1 1 61 61 ASP N N 61 117.513 117.513 118.409 -0.896 17603 1273 1 2 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.411 -0.044 17603 1274 1 2 . 1 1 61 61 ASP C C 61 179.613 179.613 179.028 0.585 17603 1275 1 2 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.526 -0.171 17603 1276 1 2 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.179 0.342 17603 1277 1 2 . 1 1 61 61 ASP H H 61 8.234 8.234 8.536 -0.302 17603 1278 1 2 . 1 1 62 62 GLU N N 62 121.613 121.613 120.198 1.415 17603 1279 1 2 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.071 -0.182 17603 1280 1 2 . 1 1 62 62 GLU C C 62 178.900 178.900 178.833 0.067 17603 1281 1 2 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.116 -0.066 17603 1282 1 2 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.599 -0.116 17603 1283 1 2 . 1 1 62 62 GLU H H 62 7.725 7.725 7.904 -0.179 17603 1284 1 2 . 1 1 63 63 ALA N N 63 121.265 121.265 122.802 -1.537 17603 1285 1 2 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.966 -0.082 17603 1286 1 2 . 1 1 63 63 ALA C C 63 180.712 180.712 179.770 0.942 17603 1287 1 2 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.697 -0.595 17603 1288 1 2 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.405 0.086 17603 1289 1 2 . 1 1 63 63 ALA H H 63 8.500 8.500 8.403 0.097 17603 1290 1 2 . 1 1 64 64 GLU N N 64 120.135 120.135 118.221 1.914 17603 1291 1 2 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.191 -0.097 17603 1292 1 2 . 1 1 64 64 GLU C C 64 177.848 177.848 178.924 -1.076 17603 1293 1 2 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.421 0.336 17603 1294 1 2 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.633 -0.520 17603 1295 1 2 . 1 1 64 64 GLU H H 64 8.412 8.412 8.393 0.019 17603 1296 1 2 . 1 1 65 65 LYS N N 65 122.023 122.023 121.371 0.652 17603 1297 1 2 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.095 0.057 17603 1298 1 2 . 1 1 65 65 LYS C C 65 179.601 179.601 179.006 0.595 17603 1299 1 2 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.642 0.476 17603 1300 1 2 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.416 -0.096 17603 1301 1 2 . 1 1 65 65 LYS H H 65 7.853 7.853 8.010 -0.157 17603 1302 1 2 . 1 1 66 66 LEU N N 66 118.739 118.739 119.319 -0.580 17603 1303 1 2 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.921 0.012 17603 1304 1 2 . 1 1 66 66 LEU C C 66 177.920 177.920 179.098 -1.178 17603 1305 1 2 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.904 -0.402 17603 1306 1 2 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.615 0.765 17603 1307 1 2 . 1 1 66 66 LEU H H 66 7.822 7.822 8.108 -0.286 17603 1308 1 2 . 1 1 67 67 PHE N N 67 119.050 119.050 120.252 -1.202 17603 1309 1 2 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.283 0.912 17603 1310 1 2 . 1 1 67 67 PHE C C 67 177.421 177.421 177.554 -0.133 17603 1311 1 2 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.797 -0.864 17603 1312 1 2 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.936 1.039 17603 1313 1 2 . 1 1 67 67 PHE H H 67 8.075 8.075 8.469 -0.394 17603 1314 1 2 . 1 1 68 68 ASN N N 68 118.041 118.041 117.401 0.640 17603 1315 1 2 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.360 -0.111 17603 1316 1 2 . 1 1 68 68 ASN C C 68 178.777 178.777 177.568 1.209 17603 1317 1 2 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.534 0.524 17603 1318 1 2 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.592 -0.101 17603 1319 1 2 . 1 1 68 68 ASN H H 68 8.505 8.505 8.565 -0.060 17603 1320 1 2 . 1 1 69 69 GLN N N 69 118.812 118.812 119.171 -0.359 17603 1321 1 2 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.989 0.190 17603 1322 1 2 . 1 1 69 69 GLN C C 69 178.938 178.938 178.440 0.498 17603 1323 1 2 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.149 -0.260 17603 1324 1 2 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.697 -0.145 17603 1325 1 2 . 1 1 69 69 GLN H H 69 7.763 7.763 8.083 -0.320 17603 1326 1 2 . 1 1 70 70 ASP N N 70 123.281 123.281 120.937 2.344 17603 1327 1 2 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.462 0.037 17603 1328 1 2 . 1 1 70 70 ASP C C 70 180.101 180.101 179.006 1.095 17603 1329 1 2 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.380 -0.338 17603 1330 1 2 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.571 -0.131 17603 1331 1 2 . 1 1 70 70 ASP H H 70 8.757 8.757 8.461 0.296 17603 1332 1 2 . 1 1 71 71 VAL N N 71 125.532 125.532 120.726 4.806 17603 1333 1 2 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.477 0.119 17603 1334 1 2 . 1 1 71 71 VAL C C 71 177.160 177.160 177.551 -0.391 17603 1335 1 2 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.781 1.228 17603 1336 1 2 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.210 0.373 17603 1337 1 2 . 1 1 71 71 VAL H H 71 9.015 9.015 8.355 0.660 17603 1338 1 2 . 1 1 72 72 ASP N N 72 119.221 119.221 119.982 -0.761 17603 1339 1 2 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.244 0.118 17603 1340 1 2 . 1 1 72 72 ASP C C 72 178.561 178.561 178.185 0.376 17603 1341 1 2 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.308 0.015 17603 1342 1 2 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.085 0.998 17603 1343 1 2 . 1 1 72 72 ASP H H 72 7.599 7.599 8.143 -0.544 17603 1344 1 2 . 1 1 73 73 ALA N N 73 120.038 120.038 121.708 -1.670 17603 1345 1 2 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.035 -0.036 17603 1346 1 2 . 1 1 73 73 ALA C C 73 180.491 180.491 179.562 0.929 17603 1347 1 2 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.064 0.022 17603 1348 1 2 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.213 0.309 17603 1349 1 2 . 1 1 73 73 ALA H H 73 8.276 8.276 8.256 0.020 17603 1350 1 2 . 1 1 74 74 ALA N N 74 123.435 123.435 121.796 1.639 17603 1351 1 2 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.983 0.180 17603 1352 1 2 . 1 1 74 74 ALA C C 74 178.997 178.997 179.502 -0.505 17603 1353 1 2 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.871 -0.044 17603 1354 1 2 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.439 -0.009 17603 1355 1 2 . 1 1 74 74 ALA H H 74 7.925 7.925 7.716 0.209 17603 1356 1 2 . 1 1 75 75 VAL N N 75 118.091 118.091 119.059 -0.968 17603 1357 1 2 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.266 -0.035 17603 1358 1 2 . 1 1 75 75 VAL C C 75 178.108 178.108 177.971 0.137 17603 1359 1 2 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.953 0.089 17603 1360 1 2 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.486 0.352 17603 1361 1 2 . 1 1 75 75 VAL H H 75 8.141 8.141 7.893 0.248 17603 1362 1 2 . 1 1 76 76 ARG N N 76 117.779 117.779 119.363 -1.584 17603 1363 1 2 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.895 -0.094 17603 1364 1 2 . 1 1 76 76 ARG C C 76 178.816 178.816 178.918 -0.102 17603 1365 1 2 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.972 -0.060 17603 1366 1 2 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.823 0.403 17603 1367 1 2 . 1 1 76 76 ARG H H 76 8.358 8.358 8.666 -0.308 17603 1368 1 2 . 1 1 77 77 GLY N N 77 105.669 105.669 107.256 -1.587 17603 1369 1 2 . 1 1 77 77 GLY C C 77 176.097 176.097 175.782 0.315 17603 1370 1 2 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.731 -0.057 17603 1371 1 2 . 1 1 77 77 GLY H H 77 7.999 7.999 8.123 -0.124 17603 1372 1 2 . 1 1 78 78 ILE N N 78 122.001 122.001 122.049 -0.048 17603 1373 1 2 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.698 -0.055 17603 1374 1 2 . 1 1 78 78 ILE C C 78 177.194 177.194 178.273 -1.079 17603 1375 1 2 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.731 0.491 17603 1376 1 2 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.881 0.081 17603 1377 1 2 . 1 1 78 78 ILE H H 78 7.579 7.579 7.745 -0.166 17603 1378 1 2 . 1 1 79 79 LEU N N 79 115.459 115.459 117.799 -2.340 17603 1379 1 2 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.022 -0.262 17603 1380 1 2 . 1 1 79 79 LEU C C 79 178.673 178.673 178.117 0.556 17603 1381 1 2 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.949 0.268 17603 1382 1 2 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.624 -0.180 17603 1383 1 2 . 1 1 79 79 LEU H H 79 7.929 7.929 8.037 -0.108 17603 1384 1 2 . 1 1 80 80 ARG N N 80 114.830 114.830 114.610 0.220 17603 1385 1 2 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.314 -0.058 17603 1386 1 2 . 1 1 80 80 ARG C C 80 175.076 175.076 175.791 -0.715 17603 1387 1 2 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.148 -0.119 17603 1388 1 2 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.605 -0.230 17603 1389 1 2 . 1 1 80 80 ARG H H 80 7.680 7.680 7.646 0.034 17603 1390 1 2 . 1 1 81 81 ASN N N 81 120.935 120.935 118.732 2.203 17603 1391 1 2 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.795 -0.036 17603 1392 1 2 . 1 1 81 81 ASN C C 81 174.612 174.612 175.217 -0.605 17603 1393 1 2 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.291 0.223 17603 1394 1 2 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.303 -0.504 17603 1395 1 2 . 1 1 81 81 ASN H H 81 7.516 7.516 7.508 0.008 17603 1396 1 2 . 1 1 82 82 ALA N N 82 128.007 128.007 129.603 -1.596 17603 1397 1 2 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.166 -0.094 17603 1398 1 2 . 1 1 82 82 ALA C C 82 178.837 178.837 178.562 0.275 17603 1399 1 2 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.556 0.329 17603 1400 1 2 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.829 0.148 17603 1401 1 2 . 1 1 82 82 ALA H H 82 8.784 8.784 8.970 -0.186 17603 1402 1 2 . 1 1 83 83 LYS N N 83 114.232 114.232 117.382 -3.150 17603 1403 1 2 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.228 0.003 17603 1404 1 2 . 1 1 83 83 LYS C C 83 177.362 177.362 178.624 -1.262 17603 1405 1 2 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.541 -0.976 17603 1406 1 2 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.962 -0.159 17603 1407 1 2 . 1 1 83 83 LYS H H 83 8.075 8.075 8.206 -0.131 17603 1408 1 2 . 1 1 84 84 LEU N N 84 115.899 115.899 120.295 -4.396 17603 1409 1 2 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.160 0.019 17603 1410 1 2 . 1 1 84 84 LEU C C 84 178.322 178.322 178.261 0.061 17603 1411 1 2 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.212 -0.581 17603 1412 1 2 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.074 0.859 17603 1413 1 2 . 1 1 84 84 LEU H H 84 7.422 7.422 8.451 -1.029 17603 1414 1 2 . 1 1 85 85 LYS N N 85 120.723 120.723 120.627 0.096 17603 1415 1 2 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.002 0.534 17603 1416 1 2 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.494 -0.531 17603 1417 1 2 . 1 1 85 85 LYS H H 85 8.407 8.407 8.396 0.011 17603 1418 1 2 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.323 0.138 17603 1419 1 2 . 1 1 86 86 PRO C C 86 180.075 180.075 179.197 0.878 17603 1420 1 2 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.817 0.027 17603 1421 1 2 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.126 -0.319 17603 1422 1 2 . 1 1 87 87 VAL N N 87 116.002 116.002 118.686 -2.684 17603 1423 1 2 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.756 0.034 17603 1424 1 2 . 1 1 87 87 VAL C C 87 178.477 178.477 178.276 0.201 17603 1425 1 2 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.285 -0.852 17603 1426 1 2 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.755 -0.259 17603 1427 1 2 . 1 1 87 87 VAL H H 87 6.903 6.903 7.273 -0.370 17603 1428 1 2 . 1 1 88 88 TYR N N 88 123.146 123.146 121.239 1.907 17603 1429 1 2 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.136 -0.199 17603 1430 1 2 . 1 1 88 88 TYR C C 88 177.346 177.346 178.197 -0.851 17603 1431 1 2 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.993 1.019 17603 1432 1 2 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.415 1.280 17603 1433 1 2 . 1 1 88 88 TYR H H 88 8.454 8.454 8.699 -0.245 17603 1434 1 2 . 1 1 89 89 ASP N N 89 117.059 117.059 117.610 -0.551 17603 1435 1 2 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.360 -0.052 17603 1436 1 2 . 1 1 89 89 ASP C C 89 178.136 178.136 178.434 -0.298 17603 1437 1 2 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.284 -0.659 17603 1438 1 2 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.153 0.433 17603 1439 1 2 . 1 1 89 89 ASP H H 89 9.057 9.057 8.923 0.134 17603 1440 1 2 . 1 1 90 90 SER N N 90 113.398 113.398 114.061 -0.663 17603 1441 1 2 . 1 1 90 90 SER HA H 90 4.435 4.435 4.338 0.097 17603 1442 1 2 . 1 1 90 90 SER C C 90 174.464 174.464 175.023 -0.559 17603 1443 1 2 . 1 1 90 90 SER CA C 90 59.549 59.549 59.554 -0.005 17603 1444 1 2 . 1 1 90 90 SER CB C 90 64.598 64.598 63.444 1.154 17603 1445 1 2 . 1 1 90 90 SER H H 90 7.385 7.385 7.640 -0.255 17603 1446 1 2 . 1 1 91 91 LEU N N 91 123.580 123.580 123.683 -0.103 17603 1447 1 2 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.510 -0.097 17603 1448 1 2 . 1 1 91 91 LEU C C 91 176.375 176.375 176.801 -0.426 17603 1449 1 2 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.005 1.065 17603 1450 1 2 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.128 -0.318 17603 1451 1 2 . 1 1 91 91 LEU H H 91 7.477 7.477 7.358 0.119 17603 1452 1 2 . 1 1 92 92 ASP N N 92 116.218 116.218 122.003 -5.785 17603 1453 1 2 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.480 0.086 17603 1454 1 2 . 1 1 92 92 ASP C C 92 175.360 175.360 176.714 -1.354 17603 1455 1 2 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.967 -1.380 17603 1456 1 2 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.149 0.691 17603 1457 1 2 . 1 1 92 92 ASP H H 92 7.440 7.440 8.455 -1.015 17603 1458 1 2 . 1 1 93 93 ALA N N 93 119.801 119.801 122.082 -2.281 17603 1459 1 2 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.044 -0.304 17603 1460 1 2 . 1 1 93 93 ALA C C 93 179.894 179.894 179.751 0.143 17603 1461 1 2 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.816 1.413 17603 1462 1 2 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.859 0.450 17603 1463 1 2 . 1 1 93 93 ALA H H 93 8.682 8.682 8.539 0.143 17603 1464 1 2 . 1 1 94 94 VAL N N 94 118.735 118.735 118.185 0.550 17603 1465 1 2 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.235 -0.207 17603 1466 1 2 . 1 1 94 94 VAL C C 94 177.116 177.116 177.857 -0.741 17603 1467 1 2 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.783 -0.065 17603 1468 1 2 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.142 -0.202 17603 1469 1 2 . 1 1 94 94 VAL H H 94 7.580 7.580 7.586 -0.006 17603 1470 1 2 . 1 1 95 95 ARG N N 95 119.108 119.108 118.654 0.454 17603 1471 1 2 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.682 -0.402 17603 1472 1 2 . 1 1 95 95 ARG C C 95 178.366 178.366 178.755 -0.389 17603 1473 1 2 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.417 0.997 17603 1474 1 2 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.984 0.439 17603 1475 1 2 . 1 1 95 95 ARG H H 95 7.729 7.729 8.090 -0.361 17603 1476 1 2 . 1 1 96 96 ARG N N 96 118.307 118.307 119.592 -1.285 17603 1477 1 2 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.987 -0.333 17603 1478 1 2 . 1 1 96 96 ARG C C 96 177.841 177.841 178.402 -0.561 17603 1479 1 2 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.401 1.257 17603 1480 1 2 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.694 0.817 17603 1481 1 2 . 1 1 96 96 ARG H H 96 8.638 8.638 8.399 0.239 17603 1482 1 2 . 1 1 97 97 ALA N N 97 120.196 120.196 121.309 -1.113 17603 1483 1 2 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.006 -0.019 17603 1484 1 2 . 1 1 97 97 ALA C C 97 178.768 178.768 178.929 -0.161 17603 1485 1 2 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.088 0.146 17603 1486 1 2 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.238 0.015 17603 1487 1 2 . 1 1 97 97 ALA H H 97 7.019 7.019 7.448 -0.429 17603 1488 1 2 . 1 1 98 98 ALA N N 98 119.143 119.143 121.126 -1.983 17603 1489 1 2 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.754 -0.182 17603 1490 1 2 . 1 1 98 98 ALA C C 98 177.328 177.328 179.070 -1.742 17603 1491 1 2 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.497 0.940 17603 1492 1 2 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.469 -1.576 17603 1493 1 2 . 1 1 98 98 ALA H H 98 7.097 7.097 7.219 -0.122 17603 1494 1 2 . 1 1 99 99 ALA N N 99 119.971 119.971 121.158 -1.187 17603 1495 1 2 . 1 1 99 99 ALA HA H 99 3.596 3.596 3.836 -0.240 17603 1496 1 2 . 1 1 99 99 ALA C C 99 178.026 178.026 179.414 -1.388 17603 1497 1 2 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.213 0.171 17603 1498 1 2 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.843 -0.426 17603 1499 1 2 . 1 1 99 99 ALA H H 99 7.665 7.665 7.692 -0.027 17603 1500 1 2 . 1 1 100 100 ILE N N 100 116.372 116.372 118.438 -2.066 17603 1501 1 2 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.549 -0.217 17603 1502 1 2 . 1 1 100 100 ILE C C 100 177.103 177.103 178.027 -0.924 17603 1503 1 2 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.623 -0.965 17603 1504 1 2 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.627 -0.616 17603 1505 1 2 . 1 1 100 100 ILE H H 100 8.110 8.110 8.351 -0.241 17603 1506 1 2 . 1 1 101 101 ASN N N 101 116.550 116.550 117.957 -1.407 17603 1507 1 2 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.511 -0.624 17603 1508 1 2 . 1 1 101 101 ASN C C 101 177.350 177.350 177.303 0.047 17603 1509 1 2 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.824 1.272 17603 1510 1 2 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.482 0.440 17603 1511 1 2 . 1 1 101 101 ASN H H 101 8.098 8.098 7.948 0.150 17603 1512 1 2 . 1 1 102 102 MET N N 102 114.177 114.177 116.774 -2.597 17603 1513 1 2 . 1 1 102 102 MET HA H 102 3.746 3.746 4.040 -0.294 17603 1514 1 2 . 1 1 102 102 MET C C 102 177.507 177.507 177.907 -0.400 17603 1515 1 2 . 1 1 102 102 MET CA C 102 60.473 60.473 57.120 3.353 17603 1516 1 2 . 1 1 102 102 MET CB C 102 33.218 33.218 31.857 1.361 17603 1517 1 2 . 1 1 102 102 MET H H 102 7.647 7.647 7.795 -0.148 17603 1518 1 2 . 1 1 103 103 VAL N N 103 107.836 107.836 117.141 -9.305 17603 1519 1 2 . 1 1 103 103 VAL HA H 103 4.198 4.198 3.811 0.387 17603 1520 1 2 . 1 1 103 103 VAL C C 103 175.893 175.893 176.721 -0.828 17603 1521 1 2 . 1 1 103 103 VAL CA C 103 60.939 60.939 63.767 -2.828 17603 1522 1 2 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.044 -0.946 17603 1523 1 2 . 1 1 103 103 VAL H H 103 7.332 7.332 7.881 -0.549 17603 1524 1 2 . 1 1 104 104 PHE N N 104 125.985 125.985 122.687 3.298 17603 1525 1 2 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.296 -0.189 17603 1526 1 2 . 1 1 104 104 PHE C C 104 176.884 176.884 174.147 2.737 17603 1527 1 2 . 1 1 104 104 PHE CA C 104 60.915 60.915 58.316 2.599 17603 1528 1 2 . 1 1 104 104 PHE CB C 104 39.768 39.768 37.365 2.403 17603 1529 1 2 . 1 1 104 104 PHE H H 104 7.978 7.978 7.816 0.162 17603 1530 1 2 . 1 1 105 105 GLN N N 105 120.302 120.302 120.483 -0.181 17603 1531 1 2 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.848 -0.338 17603 1532 1 2 . 1 1 105 105 GLN C C 105 174.976 174.976 175.193 -0.217 17603 1533 1 2 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.644 1.086 17603 1534 1 2 . 1 1 105 105 GLN CB C 105 27.304 27.304 26.485 0.819 17603 1535 1 2 . 1 1 105 105 GLN H H 105 8.448 8.448 8.749 -0.301 17603 1536 1 2 . 1 1 106 106 MET N N 106 117.189 117.189 119.141 -1.952 17603 1537 1 2 . 1 1 106 106 MET HA H 106 4.184 4.184 4.530 -0.346 17603 1538 1 2 . 1 1 106 106 MET C C 106 176.961 176.961 175.771 1.190 17603 1539 1 2 . 1 1 106 106 MET CA C 106 54.873 54.873 54.947 -0.074 17603 1540 1 2 . 1 1 106 106 MET CB C 106 30.057 30.057 33.824 -3.767 17603 1541 1 2 . 1 1 106 106 MET H H 106 8.987 8.987 8.409 0.578 17603 1542 1 2 . 1 1 107 107 GLY N N 107 107.787 107.787 105.123 2.664 17603 1543 1 2 . 1 1 107 107 GLY C C 107 174.999 174.999 175.284 -0.285 17603 1544 1 2 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.377 1.842 17603 1545 1 2 . 1 1 107 107 GLY H H 107 7.777 7.777 7.613 0.164 17603 1546 1 2 . 1 1 108 108 GLU N N 108 123.604 123.604 121.880 1.724 17603 1547 1 2 . 1 1 108 108 GLU HA H 108 3.984 3.984 3.951 0.033 17603 1548 1 2 . 1 1 108 108 GLU C C 108 179.574 179.574 178.402 1.172 17603 1549 1 2 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.810 0.134 17603 1550 1 2 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.659 0.280 17603 1551 1 2 . 1 1 108 108 GLU H H 108 8.779 8.779 9.069 -0.290 17603 1552 1 2 . 1 1 109 109 THR N N 109 111.822 111.822 115.252 -3.430 17603 1553 1 2 . 1 1 109 109 THR HA H 109 4.176 4.176 4.159 0.017 17603 1554 1 2 . 1 1 109 109 THR C C 109 178.459 178.459 176.722 1.737 17603 1555 1 2 . 1 1 109 109 THR CA C 109 65.535 65.535 67.338 -1.802 17603 1556 1 2 . 1 1 109 109 THR CB C 109 67.945 67.945 68.178 -0.233 17603 1557 1 2 . 1 1 109 109 THR H H 109 8.576 8.576 8.388 0.188 17603 1558 1 2 . 1 1 110 110 GLY N N 110 115.113 115.113 109.707 5.406 17603 1559 1 2 . 1 1 110 110 GLY C C 110 175.653 175.653 175.672 -0.019 17603 1560 1 2 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.469 0.748 17603 1561 1 2 . 1 1 110 110 GLY H H 110 8.521 8.521 8.154 0.367 17603 1562 1 2 . 1 1 111 111 VAL N N 111 120.852 120.852 122.899 -2.047 17603 1563 1 2 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.614 -0.093 17603 1564 1 2 . 1 1 111 111 VAL C C 111 179.689 179.689 177.799 1.890 17603 1565 1 2 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.281 0.772 17603 1566 1 2 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.676 0.156 17603 1567 1 2 . 1 1 111 111 VAL H H 111 8.048 8.048 8.007 0.041 17603 1568 1 2 . 1 1 112 112 ALA N N 112 124.525 124.525 122.117 2.408 17603 1569 1 2 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.003 0.139 17603 1570 1 2 . 1 1 112 112 ALA C C 112 179.412 179.412 179.205 0.207 17603 1571 1 2 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.161 0.262 17603 1572 1 2 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.164 0.094 17603 1573 1 2 . 1 1 112 112 ALA H H 112 8.255 8.255 8.319 -0.064 17603 1574 1 2 . 1 1 113 113 ALA N N 113 120.490 120.490 121.213 -0.723 17603 1575 1 2 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.149 0.033 17603 1576 1 2 . 1 1 113 113 ALA C C 113 179.965 179.965 179.155 0.810 17603 1577 1 2 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.598 0.372 17603 1578 1 2 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.598 -0.534 17603 1579 1 2 . 1 1 113 113 ALA H H 113 7.861 7.861 8.018 -0.157 17603 1580 1 2 . 1 1 114 114 PHE N N 114 120.157 120.157 118.982 1.175 17603 1581 1 2 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.282 -0.225 17603 1582 1 2 . 1 1 114 114 PHE C C 114 177.765 177.765 178.148 -0.383 17603 1583 1 2 . 1 1 114 114 PHE CA C 114 59.933 59.933 59.515 0.418 17603 1584 1 2 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.986 0.138 17603 1585 1 2 . 1 1 114 114 PHE H H 114 8.126 8.126 8.199 -0.073 17603 1586 1 2 . 1 1 115 115 THR N N 115 114.478 114.478 116.339 -1.861 17603 1587 1 2 . 1 1 115 115 THR HA H 115 3.470 3.470 3.715 -0.245 17603 1588 1 2 . 1 1 115 115 THR C C 115 176.924 176.924 176.855 0.069 17603 1589 1 2 . 1 1 115 115 THR CA C 115 67.000 67.000 67.152 -0.152 17603 1590 1 2 . 1 1 115 115 THR CB C 115 68.320 68.320 68.401 -0.081 17603 1591 1 2 . 1 1 115 115 THR H H 115 8.504 8.504 8.302 0.202 17603 1592 1 2 . 1 1 116 116 ASN N N 116 119.632 119.632 118.512 1.120 17603 1593 1 2 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.550 -0.050 17603 1594 1 2 . 1 1 116 116 ASN C C 116 176.009 176.009 176.094 -0.085 17603 1595 1 2 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.304 1.939 17603 1596 1 2 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.305 0.295 17603 1597 1 2 . 1 1 116 116 ASN H H 116 8.337 8.337 7.872 0.465 17603 1598 1 2 . 1 1 117 117 SER N N 117 112.765 112.765 113.085 -0.320 17603 1599 1 2 . 1 1 117 117 SER HA H 117 4.590 4.590 4.544 0.046 17603 1600 1 2 . 1 1 117 117 SER C C 117 174.808 174.808 175.069 -0.261 17603 1601 1 2 . 1 1 117 117 SER CA C 117 59.470 59.470 58.682 0.788 17603 1602 1 2 . 1 1 117 117 SER CB C 117 64.474 64.474 63.842 0.632 17603 1603 1 2 . 1 1 117 117 SER H H 117 7.424 7.424 7.487 -0.063 17603 1604 1 2 . 1 1 118 118 LEU N N 118 122.210 122.210 123.385 -1.175 17603 1605 1 2 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.273 0.377 17603 1606 1 2 . 1 1 118 118 LEU H H 118 7.195 7.195 7.300 -0.105 17603 1607 1 2 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.207 0.075 17603 1608 1 2 . 1 1 119 119 PRO C C 119 179.207 179.207 178.677 0.530 17603 1609 1 2 . 1 1 119 119 PRO CA C 119 66.239 66.239 65.867 0.372 17603 1610 1 2 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.385 -0.415 17603 1611 1 2 . 1 1 120 120 MET N N 120 112.465 112.465 115.379 -2.914 17603 1612 1 2 . 1 1 120 120 MET HA H 120 4.005 4.005 4.127 -0.122 17603 1613 1 2 . 1 1 120 120 MET C C 120 178.137 178.137 178.421 -0.284 17603 1614 1 2 . 1 1 120 120 MET CA C 120 58.747 58.747 57.489 1.258 17603 1615 1 2 . 1 1 120 120 MET CB C 120 32.510 32.510 31.299 1.211 17603 1616 1 2 . 1 1 120 120 MET H H 120 7.126 7.126 7.862 -0.736 17603 1617 1 2 . 1 1 121 121 LEU N N 121 118.534 118.534 120.171 -1.637 17603 1618 1 2 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.931 -0.090 17603 1619 1 2 . 1 1 121 121 LEU C C 121 180.140 180.140 179.758 0.382 17603 1620 1 2 . 1 1 121 121 LEU CA C 121 57.379 57.379 58.099 -0.720 17603 1621 1 2 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.266 0.871 17603 1622 1 2 . 1 1 121 121 LEU H H 121 7.695 7.695 8.303 -0.608 17603 1623 1 2 . 1 1 122 122 GLN N N 122 119.537 119.537 119.199 0.338 17603 1624 1 2 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.024 -0.162 17603 1625 1 2 . 1 1 122 122 GLN C C 122 176.722 176.722 177.820 -1.098 17603 1626 1 2 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.215 0.625 17603 1627 1 2 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.783 0.008 17603 1628 1 2 . 1 1 122 122 GLN H H 122 8.845 8.845 8.419 0.426 17603 1629 1 2 . 1 1 123 123 GLN N N 123 113.333 113.333 115.641 -2.308 17603 1630 1 2 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.213 -0.059 17603 1631 1 2 . 1 1 123 123 GLN C C 123 174.075 174.075 174.919 -0.844 17603 1632 1 2 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.406 -0.397 17603 1633 1 2 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.880 0.853 17603 1634 1 2 . 1 1 123 123 GLN H H 123 6.862 6.862 7.461 -0.599 17603 1635 1 2 . 1 1 124 124 LYS N N 124 114.431 114.431 113.790 0.641 17603 1636 1 2 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.288 2.167 17603 1637 1 2 . 1 1 124 124 LYS C C 124 174.727 174.727 175.139 -0.412 17603 1638 1 2 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.274 0.175 17603 1639 1 2 . 1 1 124 124 LYS CB C 124 28.383 28.383 29.512 -1.129 17603 1640 1 2 . 1 1 124 124 LYS H H 124 7.238 7.238 7.332 -0.094 17603 1641 1 2 . 1 1 125 125 ARG N N 125 119.411 119.411 118.748 0.663 17603 1642 1 2 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.267 -0.007 17603 1643 1 2 . 1 1 125 125 ARG C C 125 177.251 177.251 176.109 1.142 17603 1644 1 2 . 1 1 125 125 ARG CA C 125 53.573 53.573 53.581 -0.008 17603 1645 1 2 . 1 1 125 125 ARG CB C 125 28.211 28.211 27.788 0.423 17603 1646 1 2 . 1 1 125 125 ARG H H 125 7.651 7.651 7.974 -0.323 17603 1647 1 2 . 1 1 126 126 TRP N N 126 119.823 119.823 123.360 -3.537 17603 1648 1 2 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.267 0.055 17603 1649 1 2 . 1 1 126 126 TRP C C 126 178.830 178.830 177.649 1.181 17603 1650 1 2 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.324 -1.500 17603 1651 1 2 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.279 2.182 17603 1652 1 2 . 1 1 126 126 TRP H H 126 6.865 6.865 7.405 -0.540 17603 1653 1 2 . 1 1 127 127 ASP N N 127 116.894 116.894 117.565 -0.671 17603 1654 1 2 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.400 -0.000 17603 1655 1 2 . 1 1 127 127 ASP C C 127 178.748 178.748 178.574 0.174 17603 1656 1 2 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.923 -0.238 17603 1657 1 2 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.966 0.081 17603 1658 1 2 . 1 1 127 127 ASP H H 127 8.598 8.598 8.928 -0.330 17603 1659 1 2 . 1 1 128 128 GLU N N 128 120.788 120.788 121.010 -0.222 17603 1660 1 2 . 1 1 128 128 GLU HA H 128 3.974 3.974 3.993 -0.019 17603 1661 1 2 . 1 1 128 128 GLU C C 128 180.057 180.057 178.234 1.823 17603 1662 1 2 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.428 0.098 17603 1663 1 2 . 1 1 128 128 GLU CB C 128 29.871 29.871 29.230 0.641 17603 1664 1 2 . 1 1 128 128 GLU H H 128 8.191 8.191 8.377 -0.186 17603 1665 1 2 . 1 1 129 129 ALA N N 129 122.103 122.103 121.977 0.126 17603 1666 1 2 . 1 1 129 129 ALA HA H 129 3.970 3.970 4.018 -0.048 17603 1667 1 2 . 1 1 129 129 ALA C C 129 178.495 178.495 179.563 -1.068 17603 1668 1 2 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.126 -0.083 17603 1669 1 2 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.151 -0.380 17603 1670 1 2 . 1 1 129 129 ALA H H 129 8.587 8.587 8.476 0.111 17603 1671 1 2 . 1 1 130 130 ALA N N 130 119.336 119.336 121.300 -1.964 17603 1672 1 2 . 1 1 130 130 ALA HA H 130 4.043 4.043 4.098 -0.055 17603 1673 1 2 . 1 1 130 130 ALA C C 130 179.804 179.804 179.846 -0.042 17603 1674 1 2 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.086 0.732 17603 1675 1 2 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.261 0.635 17603 1676 1 2 . 1 1 130 130 ALA H H 130 8.235 8.235 8.097 0.138 17603 1677 1 2 . 1 1 131 131 VAL N N 131 118.685 118.685 118.978 -0.293 17603 1678 1 2 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.397 0.182 17603 1679 1 2 . 1 1 131 131 VAL C C 131 178.078 178.078 178.104 -0.026 17603 1680 1 2 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.845 -0.526 17603 1681 1 2 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.425 0.710 17603 1682 1 2 . 1 1 131 131 VAL H H 131 7.697 7.697 8.249 -0.552 17603 1683 1 2 . 1 1 132 132 ASN N N 132 118.648 118.648 118.737 -0.089 17603 1684 1 2 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.426 -0.165 17603 1685 1 2 . 1 1 132 132 ASN C C 132 178.965 178.965 178.144 0.821 17603 1686 1 2 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.368 0.804 17603 1687 1 2 . 1 1 132 132 ASN CB C 132 39.798 39.798 37.988 1.810 17603 1688 1 2 . 1 1 132 132 ASN H H 132 7.569 7.569 8.164 -0.595 17603 1689 1 2 . 1 1 133 133 LEU N N 133 120.750 120.750 120.058 0.692 17603 1690 1 2 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.455 -0.229 17603 1691 1 2 . 1 1 133 133 LEU C C 133 179.956 179.956 179.623 0.333 17603 1692 1 2 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.771 0.306 17603 1693 1 2 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.074 1.939 17603 1694 1 2 . 1 1 133 133 LEU H H 133 8.903 8.903 8.012 0.891 17603 1695 1 2 . 1 1 134 134 ALA N N 134 121.339 121.339 121.266 0.073 17603 1696 1 2 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.508 0.144 17603 1697 1 2 . 1 1 134 134 ALA C C 134 176.582 176.582 178.072 -1.490 17603 1698 1 2 . 1 1 134 134 ALA CA C 134 53.195 53.195 54.085 -0.890 17603 1699 1 2 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.389 -0.853 17603 1700 1 2 . 1 1 134 134 ALA H H 134 7.681 7.681 7.865 -0.184 17603 1701 1 2 . 1 1 135 135 LYS N N 135 116.197 116.197 115.682 0.515 17603 1702 1 2 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.342 0.028 17603 1703 1 2 . 1 1 135 135 LYS C C 135 176.573 176.573 176.012 0.561 17603 1704 1 2 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.851 -0.287 17603 1705 1 2 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.805 -0.109 17603 1706 1 2 . 1 1 135 135 LYS H H 135 7.168 7.168 7.941 -0.773 17603 1707 1 2 . 1 1 136 136 SER N N 136 115.115 115.115 116.362 -1.247 17603 1708 1 2 . 1 1 136 136 SER HA H 136 4.503 4.503 4.688 -0.185 17603 1709 1 2 . 1 1 136 136 SER C C 136 174.968 174.968 175.515 -0.547 17603 1710 1 2 . 1 1 136 136 SER CA C 136 58.565 58.565 57.244 1.321 17603 1711 1 2 . 1 1 136 136 SER CB C 136 66.690 66.690 65.082 1.608 17603 1712 1 2 . 1 1 136 136 SER H H 136 7.546 7.546 7.802 -0.256 17603 1713 1 2 . 1 1 137 137 ARG N N 137 122.827 122.827 123.914 -1.087 17603 1714 1 2 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.117 0.080 17603 1715 1 2 . 1 1 137 137 ARG C C 137 178.570 178.570 177.906 0.664 17603 1716 1 2 . 1 1 137 137 ARG CA C 137 59.338 59.338 59.951 -0.613 17603 1717 1 2 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.258 -0.466 17603 1718 1 2 . 1 1 137 137 ARG H H 137 8.786 8.786 8.930 -0.144 17603 1719 1 2 . 1 1 138 138 TRP N N 138 119.297 119.297 121.178 -1.881 17603 1720 1 2 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.324 -0.246 17603 1721 1 2 . 1 1 138 138 TRP C C 138 176.101 176.101 177.718 -1.617 17603 1722 1 2 . 1 1 138 138 TRP CA C 138 61.807 61.807 61.826 -0.019 17603 1723 1 2 . 1 1 138 138 TRP CB C 138 28.775 28.775 28.788 -0.013 17603 1724 1 2 . 1 1 138 138 TRP H H 138 8.256 8.256 8.506 -0.250 17603 1725 1 2 . 1 1 139 139 TYR N N 139 117.950 117.950 118.040 -0.090 17603 1726 1 2 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.641 -0.525 17603 1727 1 2 . 1 1 139 139 TYR C C 139 175.615 175.615 176.462 -0.847 17603 1728 1 2 . 1 1 139 139 TYR CA C 139 60.801 60.801 60.926 -0.125 17603 1729 1 2 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.318 0.498 17603 1730 1 2 . 1 1 139 139 TYR H H 139 7.786 7.786 7.819 -0.033 17603 1731 1 2 . 1 1 140 140 ASN N N 140 111.511 111.511 116.434 -4.923 17603 1732 1 2 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.545 -0.294 17603 1733 1 2 . 1 1 140 140 ASN C C 140 176.804 176.804 176.291 0.513 17603 1734 1 2 . 1 1 140 140 ASN CA C 140 55.359 55.359 54.943 0.416 17603 1735 1 2 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.353 1.237 17603 1736 1 2 . 1 1 140 140 ASN H H 140 7.115 7.115 7.755 -0.640 17603 1737 1 2 . 1 1 141 141 GLN N N 141 117.466 117.466 117.479 -0.013 17603 1738 1 2 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.327 -0.214 17603 1739 1 2 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.107 0.622 17603 1740 1 2 . 1 1 141 141 GLN CB C 141 29.647 29.647 30.036 -0.389 17603 1741 1 2 . 1 1 141 141 GLN H H 141 7.855 7.855 7.599 0.256 17603 1742 1 2 . 1 1 142 142 THR N N 142 110.630 110.630 110.378 0.252 17603 1743 1 2 . 1 1 142 142 THR CA C 142 56.326 56.326 59.433 -3.107 17603 1744 1 2 . 1 1 142 142 THR CB C 142 69.490 69.490 69.756 -0.266 17603 1745 1 2 . 1 1 142 142 THR H H 142 6.964 6.964 7.820 -0.856 17603 1746 1 2 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.279 0.382 17603 1747 1 2 . 1 1 143 143 PRO C C 143 178.494 178.494 177.520 0.974 17603 1748 1 2 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.579 1.033 17603 1749 1 2 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.131 0.741 17603 1750 1 2 . 1 1 144 144 ASN N N 144 116.334 116.334 116.994 -0.660 17603 1751 1 2 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.344 -0.029 17603 1752 1 2 . 1 1 144 144 ASN C C 144 177.341 177.341 177.336 0.005 17603 1753 1 2 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.082 0.586 17603 1754 1 2 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.700 -0.034 17603 1755 1 2 . 1 1 144 144 ASN H H 144 7.971 7.971 8.441 -0.470 17603 1756 1 2 . 1 1 145 145 ARG N N 145 121.642 121.642 120.383 1.259 17603 1757 1 2 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.106 -0.176 17603 1758 1 2 . 1 1 145 145 ARG C C 145 177.087 177.087 177.878 -0.791 17603 1759 1 2 . 1 1 145 145 ARG CA C 145 58.135 58.135 58.819 -0.684 17603 1760 1 2 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.332 1.123 17603 1761 1 2 . 1 1 145 145 ARG H H 145 7.750 7.750 8.216 -0.466 17603 1762 1 2 . 1 1 146 146 ALA N N 146 119.316 119.316 122.004 -2.688 17603 1763 1 2 . 1 1 146 146 ALA HA H 146 3.858 3.858 3.956 -0.098 17603 1764 1 2 . 1 1 146 146 ALA C C 146 179.664 179.664 178.771 0.893 17603 1765 1 2 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.189 0.352 17603 1766 1 2 . 1 1 146 146 ALA CB C 146 20.015 20.015 17.582 2.433 17603 1767 1 2 . 1 1 146 146 ALA H H 146 8.429 8.429 8.255 0.174 17603 1768 1 2 . 1 1 147 147 LYS N N 147 116.714 116.714 118.936 -2.222 17603 1769 1 2 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.062 -0.021 17603 1770 1 2 . 1 1 147 147 LYS C C 147 179.974 179.974 178.897 1.077 17603 1771 1 2 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.969 0.760 17603 1772 1 2 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.361 0.427 17603 1773 1 2 . 1 1 147 147 LYS H H 147 8.253 8.253 7.978 0.275 17603 1774 1 2 . 1 1 148 148 ARG N N 148 119.234 119.234 118.758 0.476 17603 1775 1 2 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.939 -0.106 17603 1776 1 2 . 1 1 148 148 ARG C C 148 180.146 180.146 178.972 1.174 17603 1777 1 2 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.281 1.512 17603 1778 1 2 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.033 0.205 17603 1779 1 2 . 1 1 148 148 ARG H H 148 7.279 7.279 7.542 -0.263 17603 1780 1 2 . 1 1 149 149 VAL N N 149 125.307 125.307 120.546 4.761 17603 1781 1 2 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.781 -0.324 17603 1782 1 2 . 1 1 149 149 VAL C C 149 178.460 178.460 178.329 0.131 17603 1783 1 2 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.614 1.554 17603 1784 1 2 . 1 1 149 149 VAL CB C 149 32.455 32.455 32.061 0.394 17603 1785 1 2 . 1 1 149 149 VAL H H 149 8.816 8.816 7.626 1.190 17603 1786 1 2 . 1 1 150 150 ILE N N 150 121.097 121.097 121.018 0.079 17603 1787 1 2 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.997 -0.111 17603 1788 1 2 . 1 1 150 150 ILE C C 150 178.378 178.378 178.170 0.208 17603 1789 1 2 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.937 1.431 17603 1790 1 2 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.898 -0.199 17603 1791 1 2 . 1 1 150 150 ILE H H 150 9.547 9.547 8.980 0.567 17603 1792 1 2 . 1 1 151 151 THR N N 151 117.959 117.959 116.800 1.159 17603 1793 1 2 . 1 1 151 151 THR HA H 151 3.933 3.933 4.035 -0.102 17603 1794 1 2 . 1 1 151 151 THR C C 151 176.283 176.283 176.565 -0.282 17603 1795 1 2 . 1 1 151 151 THR CA C 151 67.403 67.403 67.651 -0.248 17603 1796 1 2 . 1 1 151 151 THR CB C 151 68.172 68.172 68.355 -0.183 17603 1797 1 2 . 1 1 151 151 THR H H 151 8.444 8.444 8.533 -0.089 17603 1798 1 2 . 1 1 152 152 THR N N 152 122.010 122.010 119.742 2.268 17603 1799 1 2 . 1 1 152 152 THR HA H 152 3.944 3.944 4.196 -0.252 17603 1800 1 2 . 1 1 152 152 THR C C 152 176.671 176.671 176.313 0.358 17603 1801 1 2 . 1 1 152 152 THR CA C 152 67.498 67.498 66.879 0.619 17603 1802 1 2 . 1 1 152 152 THR H H 152 7.964 7.964 7.778 0.186 17603 1803 1 2 . 1 1 153 153 PHE N N 153 120.387 120.387 121.202 -0.815 17603 1804 1 2 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.120 -0.167 17603 1805 1 2 . 1 1 153 153 PHE C C 153 178.321 178.321 177.452 0.869 17603 1806 1 2 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.747 0.962 17603 1807 1 2 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.380 0.959 17603 1808 1 2 . 1 1 153 153 PHE H H 153 8.375 8.375 8.249 0.126 17603 1809 1 2 . 1 1 154 154 ARG N N 154 118.015 118.015 119.652 -1.637 17603 1810 1 2 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.190 -0.120 17603 1811 1 2 . 1 1 154 154 ARG C C 154 178.076 178.076 178.512 -0.436 17603 1812 1 2 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.924 0.438 17603 1813 1 2 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.583 0.963 17603 1814 1 2 . 1 1 154 154 ARG H H 154 8.795 8.795 8.438 0.357 17603 1815 1 2 . 1 1 155 155 THR N N 155 104.622 104.622 108.824 -4.202 17603 1816 1 2 . 1 1 155 155 THR HA H 155 4.252 4.252 4.302 -0.050 17603 1817 1 2 . 1 1 155 155 THR C C 155 176.765 176.765 175.753 1.012 17603 1818 1 2 . 1 1 155 155 THR CA C 155 62.470 62.470 62.123 0.347 17603 1819 1 2 . 1 1 155 155 THR CB C 155 71.330 71.330 69.926 1.404 17603 1820 1 2 . 1 1 155 155 THR H H 155 8.169 8.169 7.915 0.254 17603 1821 1 2 . 1 1 156 156 GLY N N 156 111.689 111.689 112.334 -0.645 17603 1822 1 2 . 1 1 156 156 GLY C C 156 172.933 172.933 174.182 -1.249 17603 1823 1 2 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.930 0.237 17603 1824 1 2 . 1 1 156 156 GLY H H 156 8.491 8.491 8.025 0.466 17603 1825 1 2 . 1 1 157 157 THR N N 157 108.301 108.301 110.542 -2.241 17603 1826 1 2 . 1 1 157 157 THR HA H 157 4.637 4.637 4.378 0.259 17603 1827 1 2 . 1 1 157 157 THR C C 157 174.086 174.086 173.032 1.054 17603 1828 1 2 . 1 1 157 157 THR CA C 157 58.748 58.748 59.392 -0.643 17603 1829 1 2 . 1 1 157 157 THR CB C 157 72.418 72.418 71.525 0.893 17603 1830 1 2 . 1 1 157 157 THR H H 157 7.603 7.603 7.260 0.343 17603 1831 1 2 . 1 1 158 158 TRP N N 158 118.038 118.038 119.708 -1.670 17603 1832 1 2 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.934 0.130 17603 1833 1 2 . 1 1 158 158 TRP C C 158 177.922 177.922 176.863 1.059 17603 1834 1 2 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.462 -0.116 17603 1835 1 2 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.363 0.416 17603 1836 1 2 . 1 1 158 158 TRP H H 158 8.602 8.602 8.604 -0.002 17603 1837 1 2 . 1 1 159 159 ASP N N 159 119.620 119.620 122.135 -2.515 17603 1838 1 2 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.458 -0.265 17603 1839 1 2 . 1 1 159 159 ASP C C 159 177.407 177.407 178.091 -0.684 17603 1840 1 2 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.612 1.167 17603 1841 1 2 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.248 0.426 17603 1842 1 2 . 1 1 159 159 ASP H H 159 7.909 7.909 7.833 0.076 17603 1843 1 2 . 1 1 160 160 ALA N N 160 119.985 119.985 121.163 -1.178 17603 1844 1 2 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.176 0.025 17603 1845 1 2 . 1 1 160 160 ALA C C 160 177.362 177.362 177.930 -0.568 17603 1846 1 2 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.653 0.076 17603 1847 1 2 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.527 0.091 17603 1848 1 2 . 1 1 160 160 ALA H H 160 9.187 9.187 8.338 0.849 17603 1849 1 2 . 1 1 161 161 TYR N N 161 113.735 113.735 113.369 0.366 17603 1850 1 2 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.638 -0.391 17603 1851 1 2 . 1 1 161 161 TYR C C 161 175.125 175.125 177.424 -2.299 17603 1852 1 2 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.243 0.666 17603 1853 1 2 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.424 0.432 17603 1854 1 2 . 1 1 161 161 TYR H H 161 8.061 8.061 8.011 0.050 17603 1855 1 2 . 1 1 162 162 LYS N N 162 119.491 119.491 120.350 -0.859 17603 1856 1 2 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.231 -0.082 17603 1857 1 2 . 1 1 162 162 LYS C C 162 176.030 176.030 177.875 -1.845 17603 1858 1 2 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.401 -0.943 17603 1859 1 2 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.207 -3.079 17603 1860 1 2 . 1 1 162 162 LYS H H 162 7.262 7.262 7.668 -0.406 17603 1861 1 2 . 1 1 163 163 ASN N N 163 117.131 117.131 115.962 1.169 17603 1862 1 2 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.680 -0.090 17603 1863 1 2 . 1 1 163 163 ASN C C 163 173.691 173.691 175.322 -1.631 17603 1864 1 2 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.504 0.380 17603 1865 1 2 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.059 -0.917 17603 1866 1 2 . 1 1 163 163 ASN H H 163 8.457 8.457 8.405 0.052 17603 1867 1 3 . 1 1 2 2 ASN N N 2 115.826 115.826 119.796 -3.970 17603 1868 1 3 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.575 -0.108 17603 1869 1 3 . 1 1 2 2 ASN C C 2 174.640 174.640 174.597 0.043 17603 1870 1 3 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.052 -0.138 17603 1871 1 3 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.055 0.189 17603 1872 1 3 . 1 1 2 2 ASN H H 2 6.923 6.923 7.736 -0.813 17603 1873 1 3 . 1 1 3 3 ILE N N 3 116.880 116.880 119.950 -3.070 17603 1874 1 3 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.878 0.199 17603 1875 1 3 . 1 1 3 3 ILE C C 3 174.099 174.099 176.433 -2.334 17603 1876 1 3 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.996 -1.365 17603 1877 1 3 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.927 0.265 17603 1878 1 3 . 1 1 3 3 ILE H H 3 8.815 8.815 8.494 0.321 17603 1879 1 3 . 1 1 4 4 PHE N N 4 121.992 121.992 118.802 3.190 17603 1880 1 3 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.196 -0.167 17603 1881 1 3 . 1 1 4 4 PHE C C 4 177.093 177.093 178.081 -0.988 17603 1882 1 3 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.295 -1.287 17603 1883 1 3 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.392 -0.232 17603 1884 1 3 . 1 1 4 4 PHE H H 4 7.336 7.336 8.035 -0.699 17603 1885 1 3 . 1 1 5 5 GLU N N 5 118.284 118.284 119.569 -1.285 17603 1886 1 3 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.912 -0.131 17603 1887 1 3 . 1 1 5 5 GLU C C 5 178.340 178.340 179.053 -0.713 17603 1888 1 3 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.172 -0.523 17603 1889 1 3 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.406 0.950 17603 1890 1 3 . 1 1 5 5 GLU H H 5 7.892 7.892 8.600 -0.708 17603 1891 1 3 . 1 1 6 6 MET N N 6 118.546 118.546 120.905 -2.359 17603 1892 1 3 . 1 1 6 6 MET HA H 6 3.314 3.314 3.801 -0.487 17603 1893 1 3 . 1 1 6 6 MET C C 6 177.078 177.078 178.067 -0.989 17603 1894 1 3 . 1 1 6 6 MET CA C 6 58.988 58.988 59.269 -0.281 17603 1895 1 3 . 1 1 6 6 MET CB C 6 34.498 34.498 32.600 1.898 17603 1896 1 3 . 1 1 6 6 MET H H 6 7.946 7.946 8.392 -0.446 17603 1897 1 3 . 1 1 7 7 LEU N N 7 116.516 116.516 118.286 -1.770 17603 1898 1 3 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.933 0.035 17603 1899 1 3 . 1 1 7 7 LEU C C 7 178.579 178.579 178.731 -0.152 17603 1900 1 3 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.456 0.149 17603 1901 1 3 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.325 0.569 17603 1902 1 3 . 1 1 7 7 LEU H H 7 7.969 7.969 8.240 -0.271 17603 1903 1 3 . 1 1 8 8 ARG N N 8 120.793 120.793 120.126 0.667 17603 1904 1 3 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.853 -0.294 17603 1905 1 3 . 1 1 8 8 ARG C C 8 180.018 180.018 178.771 1.247 17603 1906 1 3 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.334 1.912 17603 1907 1 3 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.252 0.266 17603 1908 1 3 . 1 1 8 8 ARG H H 8 8.161 8.161 8.137 0.024 17603 1909 1 3 . 1 1 9 9 ILE N N 9 120.805 120.805 118.545 2.260 17603 1910 1 3 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.783 -0.210 17603 1911 1 3 . 1 1 9 9 ILE C C 9 177.878 177.878 177.311 0.567 17603 1912 1 3 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.799 0.477 17603 1913 1 3 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.077 0.196 17603 1914 1 3 . 1 1 9 9 ILE H H 9 7.628 7.628 7.970 -0.342 17603 1915 1 3 . 1 1 10 10 ASP N N 10 118.172 118.172 117.748 0.424 17603 1916 1 3 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.633 -0.227 17603 1917 1 3 . 1 1 10 10 ASP C C 10 178.041 178.041 178.493 -0.452 17603 1918 1 3 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.900 1.394 17603 1919 1 3 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.121 0.750 17603 1920 1 3 . 1 1 10 10 ASP H H 10 7.999 7.999 7.988 0.011 17603 1921 1 3 . 1 1 11 11 GLU N N 11 115.562 115.562 116.216 -0.654 17603 1922 1 3 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.559 0.082 17603 1923 1 3 . 1 1 11 11 GLU C C 11 178.197 178.197 177.479 0.718 17603 1924 1 3 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.082 0.022 17603 1925 1 3 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.292 -0.197 17603 1926 1 3 . 1 1 11 11 GLU H H 11 8.855 8.855 8.323 0.532 17603 1927 1 3 . 1 1 12 12 GLY N N 12 109.971 109.971 108.616 1.355 17603 1928 1 3 . 1 1 12 12 GLY C C 12 170.049 170.049 171.893 -1.844 17603 1929 1 3 . 1 1 12 12 GLY CA C 12 44.694 44.694 45.000 -0.306 17603 1930 1 3 . 1 1 12 12 GLY H H 12 7.550 7.550 7.950 -0.400 17603 1931 1 3 . 1 1 13 13 LEU N N 13 117.547 117.547 121.459 -3.912 17603 1932 1 3 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.033 -0.575 17603 1933 1 3 . 1 1 13 13 LEU C C 13 175.566 175.566 175.117 0.449 17603 1934 1 3 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.520 0.051 17603 1935 1 3 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.630 -0.763 17603 1936 1 3 . 1 1 13 13 LEU H H 13 7.755 7.755 8.212 -0.457 17603 1937 1 3 . 1 1 14 14 ARG N N 14 126.722 126.722 125.083 1.639 17603 1938 1 3 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.656 0.029 17603 1939 1 3 . 1 1 14 14 ARG C C 14 175.979 175.979 175.904 0.075 17603 1940 1 3 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.881 -0.618 17603 1941 1 3 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.434 0.384 17603 1942 1 3 . 1 1 14 14 ARG H H 14 8.214 8.214 8.227 -0.013 17603 1943 1 3 . 1 1 15 15 LEU N N 15 123.112 123.112 121.326 1.786 17603 1944 1 3 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.385 -0.040 17603 1945 1 3 . 1 1 15 15 LEU C C 15 173.808 173.808 176.045 -2.237 17603 1946 1 3 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.071 -0.298 17603 1947 1 3 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.306 -2.534 17603 1948 1 3 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 1949 1 3 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 1950 1 3 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.259 0.097 17603 1951 1 3 . 1 1 16 16 LYS C C 16 176.072 176.072 176.752 -0.680 17603 1952 1 3 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.201 -0.328 17603 1953 1 3 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.228 0.733 17603 1954 1 3 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 1955 1 3 . 1 1 17 17 ILE N N 17 120.916 120.916 126.322 -5.406 17603 1956 1 3 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.291 -0.183 17603 1957 1 3 . 1 1 17 17 ILE C C 17 174.826 174.826 176.491 -1.665 17603 1958 1 3 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.467 0.479 17603 1959 1 3 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.376 1.106 17603 1960 1 3 . 1 1 17 17 ILE H H 17 7.555 7.555 8.257 -0.702 17603 1961 1 3 . 1 1 18 18 TYR N N 18 128.021 128.021 125.980 2.041 17603 1962 1 3 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.118 -0.042 17603 1963 1 3 . 1 1 18 18 TYR C C 18 172.698 172.698 173.529 -0.831 17603 1964 1 3 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.296 0.310 17603 1965 1 3 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.912 0.602 17603 1966 1 3 . 1 1 18 18 TYR H H 18 9.340 9.340 9.092 0.248 17603 1967 1 3 . 1 1 19 19 LYS N N 19 122.578 122.578 120.916 1.662 17603 1968 1 3 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.558 -0.025 17603 1969 1 3 . 1 1 19 19 LYS C C 19 175.823 175.823 176.231 -0.408 17603 1970 1 3 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.011 0.095 17603 1971 1 3 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.876 0.344 17603 1972 1 3 . 1 1 19 19 LYS H H 19 8.260 8.260 8.417 -0.157 17603 1973 1 3 . 1 1 20 20 ASP N N 20 125.695 125.695 124.475 1.220 17603 1974 1 3 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.763 -0.172 17603 1975 1 3 . 1 1 20 20 ASP C C 20 178.065 178.065 178.340 -0.275 17603 1976 1 3 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.188 -0.404 17603 1977 1 3 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.647 -0.727 17603 1978 1 3 . 1 1 20 20 ASP H H 20 8.517 8.517 8.847 -0.330 17603 1979 1 3 . 1 1 21 21 THR N N 21 110.206 110.206 109.341 0.865 17603 1980 1 3 . 1 1 21 21 THR HA H 21 3.982 3.982 4.032 -0.050 17603 1981 1 3 . 1 1 21 21 THR C C 21 175.854 175.854 175.594 0.260 17603 1982 1 3 . 1 1 21 21 THR CA C 21 65.025 65.025 64.782 0.242 17603 1983 1 3 . 1 1 21 21 THR CB C 21 68.796 68.796 68.774 0.022 17603 1984 1 3 . 1 1 21 21 THR H H 21 7.953 7.953 8.740 -0.787 17603 1985 1 3 . 1 1 22 22 GLU N N 22 120.359 120.359 119.173 1.186 17603 1986 1 3 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.232 -0.059 17603 1987 1 3 . 1 1 22 22 GLU C C 22 175.597 175.597 176.462 -0.865 17603 1988 1 3 . 1 1 22 22 GLU CA C 22 56.298 56.298 56.158 0.140 17603 1989 1 3 . 1 1 22 22 GLU CB C 22 30.353 30.353 30.235 0.118 17603 1990 1 3 . 1 1 22 22 GLU H H 22 8.013 8.013 8.107 -0.094 17603 1991 1 3 . 1 1 23 23 GLY N N 23 106.729 106.729 106.701 0.028 17603 1992 1 3 . 1 1 23 23 GLY C C 23 173.526 173.526 174.064 -0.538 17603 1993 1 3 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.064 -0.098 17603 1994 1 3 . 1 1 23 23 GLY H H 23 7.841 7.841 7.835 0.006 17603 1995 1 3 . 1 1 24 24 TYR N N 24 120.577 120.577 119.518 1.059 17603 1996 1 3 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.517 0.358 17603 1997 1 3 . 1 1 24 24 TYR C C 24 177.535 177.535 175.791 1.744 17603 1998 1 3 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.473 -1.230 17603 1999 1 3 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.084 -0.783 17603 2000 1 3 . 1 1 24 24 TYR H H 24 8.116 8.116 8.081 0.035 17603 2001 1 3 . 1 1 25 25 TYR N N 25 122.385 122.385 123.192 -0.807 17603 2002 1 3 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.892 0.043 17603 2003 1 3 . 1 1 25 25 TYR C C 25 175.310 175.310 176.201 -0.891 17603 2004 1 3 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.014 -0.220 17603 2005 1 3 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.884 2.009 17603 2006 1 3 . 1 1 25 25 TYR H H 25 8.679 8.679 8.885 -0.206 17603 2007 1 3 . 1 1 26 26 THR N N 26 120.628 120.628 118.051 2.577 17603 2008 1 3 . 1 1 26 26 THR HA H 26 5.179 5.179 5.052 0.127 17603 2009 1 3 . 1 1 26 26 THR C C 26 180.259 180.259 172.604 7.655 17603 2010 1 3 . 1 1 26 26 THR CA C 26 61.015 61.015 61.282 -0.268 17603 2011 1 3 . 1 1 26 26 THR CB C 26 72.424 72.424 72.393 0.031 17603 2012 1 3 . 1 1 26 26 THR H H 26 9.362 9.362 9.067 0.295 17603 2013 1 3 . 1 1 27 27 ILE N N 27 120.468 120.468 120.686 -0.218 17603 2014 1 3 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.515 0.031 17603 2015 1 3 . 1 1 27 27 ILE C C 27 172.440 172.440 174.630 -2.190 17603 2016 1 3 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.795 0.712 17603 2017 1 3 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.034 1.149 17603 2018 1 3 . 1 1 27 27 ILE H H 27 8.814 8.814 8.525 0.289 17603 2019 1 3 . 1 1 28 28 GLY N N 28 112.172 112.172 112.804 -0.632 17603 2020 1 3 . 1 1 28 28 GLY C C 28 174.772 174.772 174.194 0.578 17603 2021 1 3 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.071 -0.074 17603 2022 1 3 . 1 1 28 28 GLY H H 28 8.553 8.553 8.799 -0.246 17603 2023 1 3 . 1 1 29 29 ILE N N 29 133.320 133.320 125.112 8.208 17603 2024 1 3 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.413 0.413 17603 2025 1 3 . 1 1 29 29 ILE C C 29 176.677 176.677 176.619 0.058 17603 2026 1 3 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.770 -1.558 17603 2027 1 3 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.707 -0.846 17603 2028 1 3 . 1 1 29 29 ILE H H 29 10.142 10.142 8.642 1.500 17603 2029 1 3 . 1 1 30 30 GLY N N 30 108.192 108.192 112.455 -4.263 17603 2030 1 3 . 1 1 30 30 GLY C C 30 173.131 173.131 174.215 -1.084 17603 2031 1 3 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.062 1.129 17603 2032 1 3 . 1 1 30 30 GLY H H 30 8.121 8.121 8.392 -0.271 17603 2033 1 3 . 1 1 31 31 HIS N N 31 115.740 115.740 120.104 -4.364 17603 2034 1 3 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.605 -0.304 17603 2035 1 3 . 1 1 31 31 HIS C C 31 173.495 173.495 174.579 -1.084 17603 2036 1 3 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.937 1.737 17603 2037 1 3 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.748 -2.177 17603 2038 1 3 . 1 1 31 31 HIS H H 31 8.266 8.266 8.393 -0.127 17603 2039 1 3 . 1 1 32 32 LEU N N 32 132.140 132.140 128.605 3.535 17603 2040 1 3 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.995 0.094 17603 2041 1 3 . 1 1 32 32 LEU C C 32 176.486 176.486 175.689 0.797 17603 2042 1 3 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.427 0.413 17603 2043 1 3 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.152 -0.218 17603 2044 1 3 . 1 1 32 32 LEU H H 32 7.873 7.873 8.657 -0.784 17603 2045 1 3 . 1 1 33 33 LEU N N 33 125.594 125.594 126.347 -0.753 17603 2046 1 3 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.361 0.075 17603 2047 1 3 . 1 1 33 33 LEU C C 33 176.139 176.139 177.126 -0.987 17603 2048 1 3 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.937 -0.255 17603 2049 1 3 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.095 0.354 17603 2050 1 3 . 1 1 33 33 LEU H H 33 9.060 9.060 8.778 0.282 17603 2051 1 3 . 1 1 34 34 THR N N 34 109.512 109.512 109.016 0.496 17603 2052 1 3 . 1 1 34 34 THR HA H 34 4.485 4.485 4.387 0.098 17603 2053 1 3 . 1 1 34 34 THR C C 34 171.666 171.666 172.302 -0.636 17603 2054 1 3 . 1 1 34 34 THR CA C 34 60.278 60.278 61.362 -1.084 17603 2055 1 3 . 1 1 34 34 THR CB C 34 67.479 67.479 71.442 -3.963 17603 2056 1 3 . 1 1 34 34 THR H H 34 7.266 7.266 7.377 -0.111 17603 2057 1 3 . 1 1 35 35 LYS N N 35 125.041 125.041 122.551 2.490 17603 2058 1 3 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.026 0.268 17603 2059 1 3 . 1 1 35 35 LYS C C 35 176.714 176.714 176.757 -0.043 17603 2060 1 3 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.904 0.451 17603 2061 1 3 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.284 0.102 17603 2062 1 3 . 1 1 35 35 LYS H H 35 8.556 8.556 8.281 0.275 17603 2063 1 3 . 1 1 36 36 SER N N 36 119.417 119.417 117.693 1.724 17603 2064 1 3 . 1 1 36 36 SER CA C 36 57.016 57.016 56.273 0.743 17603 2065 1 3 . 1 1 36 36 SER CB C 36 64.053 64.053 63.781 0.272 17603 2066 1 3 . 1 1 36 36 SER H H 36 8.671 8.671 7.805 0.866 17603 2067 1 3 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.580 0.254 17603 2068 1 3 . 1 1 37 37 PRO C C 37 177.182 177.182 176.816 0.366 17603 2069 1 3 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.439 0.278 17603 2070 1 3 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.943 -1.291 17603 2071 1 3 . 1 1 38 38 SER N N 38 116.310 116.310 116.127 0.183 17603 2072 1 3 . 1 1 38 38 SER HA H 38 4.703 4.703 4.572 0.131 17603 2073 1 3 . 1 1 38 38 SER C C 38 174.405 174.405 175.304 -0.899 17603 2074 1 3 . 1 1 38 38 SER CA C 38 56.494 56.494 56.686 -0.192 17603 2075 1 3 . 1 1 38 38 SER CB C 38 63.608 63.608 63.567 0.041 17603 2076 1 3 . 1 1 38 38 SER H H 38 8.189 8.189 7.765 0.424 17603 2077 1 3 . 1 1 39 39 LEU N N 39 132.784 132.784 130.486 2.298 17603 2078 1 3 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.351 0.004 17603 2079 1 3 . 1 1 39 39 LEU C C 39 178.441 178.441 177.572 0.869 17603 2080 1 3 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.147 0.111 17603 2081 1 3 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.849 -0.364 17603 2082 1 3 . 1 1 39 39 LEU H H 39 8.916 8.916 8.793 0.123 17603 2083 1 3 . 1 1 40 40 ASN N N 40 116.840 116.840 117.513 -0.673 17603 2084 1 3 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.342 -0.079 17603 2085 1 3 . 1 1 40 40 ASN C C 40 178.226 178.226 177.434 0.792 17603 2086 1 3 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.977 0.361 17603 2087 1 3 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 2088 1 3 . 1 1 40 40 ASN H H 40 8.255 8.255 8.220 0.035 17603 2089 1 3 . 1 1 41 41 ALA N N 41 123.964 123.964 122.975 0.989 17603 2090 1 3 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.996 0.198 17603 2091 1 3 . 1 1 41 41 ALA C C 41 179.835 179.835 178.893 0.942 17603 2092 1 3 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.928 -0.060 17603 2093 1 3 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.354 -0.482 17603 2094 1 3 . 1 1 41 41 ALA H H 41 7.710 7.710 7.589 0.121 17603 2095 1 3 . 1 1 42 42 ALA N N 42 121.099 121.099 121.297 -0.198 17603 2096 1 3 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.875 -0.125 17603 2097 1 3 . 1 1 42 42 ALA C C 42 178.838 178.838 179.453 -0.615 17603 2098 1 3 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.104 0.429 17603 2099 1 3 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.083 0.493 17603 2100 1 3 . 1 1 42 42 ALA H H 42 7.571 7.571 7.857 -0.286 17603 2101 1 3 . 1 1 43 43 LYS N N 43 117.308 117.308 118.138 -0.830 17603 2102 1 3 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.893 -0.239 17603 2103 1 3 . 1 1 43 43 LYS C C 43 177.511 177.511 178.920 -1.409 17603 2104 1 3 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.716 0.943 17603 2105 1 3 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 2106 1 3 . 1 1 43 43 LYS H H 43 8.377 8.377 8.251 0.126 17603 2107 1 3 . 1 1 44 44 SER N N 44 114.066 114.066 115.251 -1.185 17603 2108 1 3 . 1 1 44 44 SER HA H 44 4.256 4.256 4.166 0.090 17603 2109 1 3 . 1 1 44 44 SER C C 44 177.894 177.894 176.607 1.287 17603 2110 1 3 . 1 1 44 44 SER CA C 44 61.764 61.764 61.396 0.368 17603 2111 1 3 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.169 17603 2112 1 3 . 1 1 44 44 SER H H 44 7.895 7.895 8.146 -0.251 17603 2113 1 3 . 1 1 45 45 GLU N N 45 120.349 120.349 121.230 -0.881 17603 2114 1 3 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.042 0.065 17603 2115 1 3 . 1 1 45 45 GLU C C 45 179.336 179.336 179.149 0.187 17603 2116 1 3 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.999 -0.573 17603 2117 1 3 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.327 0.021 17603 2118 1 3 . 1 1 45 45 GLU H H 45 7.988 7.988 7.881 0.107 17603 2119 1 3 . 1 1 46 46 LEU N N 46 122.887 122.887 122.365 0.522 17603 2120 1 3 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.064 -0.126 17603 2121 1 3 . 1 1 46 46 LEU C C 46 177.291 177.291 178.308 -1.017 17603 2122 1 3 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.169 -0.520 17603 2123 1 3 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.662 -0.046 17603 2124 1 3 . 1 1 46 46 LEU H H 46 8.286 8.286 8.317 -0.031 17603 2125 1 3 . 1 1 47 47 ASP N N 47 120.418 120.418 119.875 0.543 17603 2126 1 3 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.488 0.272 17603 2127 1 3 . 1 1 47 47 ASP C C 47 180.926 180.926 179.124 1.802 17603 2128 1 3 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.417 -0.099 17603 2129 1 3 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.253 -0.224 17603 2130 1 3 . 1 1 47 47 ASP H H 47 8.553 8.553 8.425 0.128 17603 2131 1 3 . 1 1 48 48 LYS N N 48 120.743 120.743 120.010 0.733 17603 2132 1 3 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.063 -0.060 17603 2133 1 3 . 1 1 48 48 LYS C C 48 178.198 178.198 178.305 -0.107 17603 2134 1 3 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.870 0.311 17603 2135 1 3 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.592 0.112 17603 2136 1 3 . 1 1 48 48 LYS H H 48 7.747 7.747 7.931 -0.184 17603 2137 1 3 . 1 1 49 49 ALA N N 49 121.258 121.258 121.938 -0.680 17603 2138 1 3 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.221 -0.065 17603 2139 1 3 . 1 1 49 49 ALA C C 49 179.386 179.386 179.199 0.187 17603 2140 1 3 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.554 -0.082 17603 2141 1 3 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.979 -0.745 17603 2142 1 3 . 1 1 49 49 ALA H H 49 7.925 7.925 7.968 -0.043 17603 2143 1 3 . 1 1 50 50 ILE N N 50 114.806 114.806 115.948 -1.142 17603 2144 1 3 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.048 0.030 17603 2145 1 3 . 1 1 50 50 ILE C C 50 177.205 177.205 177.208 -0.003 17603 2146 1 3 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.049 -1.947 17603 2147 1 3 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.424 -1.130 17603 2148 1 3 . 1 1 50 50 ILE H H 50 8.323 8.323 7.712 0.611 17603 2149 1 3 . 1 1 51 51 GLY N N 51 109.238 109.238 109.791 -0.553 17603 2150 1 3 . 1 1 51 51 GLY C C 51 173.771 173.771 173.777 -0.006 17603 2151 1 3 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.154 0.768 17603 2152 1 3 . 1 1 51 51 GLY H H 51 8.340 8.340 8.379 -0.039 17603 2153 1 3 . 1 1 52 52 ARG N N 52 115.526 115.526 116.557 -1.031 17603 2154 1 3 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.522 0.035 17603 2155 1 3 . 1 1 52 52 ARG C C 52 172.391 172.391 173.393 -1.002 17603 2156 1 3 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.815 0.265 17603 2157 1 3 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.306 -0.099 17603 2158 1 3 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17603 2159 1 3 . 1 1 53 53 ASN N N 53 115.684 115.684 120.466 -4.782 17603 2160 1 3 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.947 -0.251 17603 2161 1 3 . 1 1 53 53 ASN C C 53 175.491 175.491 174.995 0.496 17603 2162 1 3 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.824 0.327 17603 2163 1 3 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.707 -1.030 17603 2164 1 3 . 1 1 53 53 ASN H H 53 8.241 8.241 8.686 -0.445 17603 2165 1 3 . 1 1 54 54 THR N N 54 119.609 119.609 118.041 1.568 17603 2166 1 3 . 1 1 54 54 THR HA H 54 4.300 4.300 4.497 -0.197 17603 2167 1 3 . 1 1 54 54 THR C C 54 177.264 177.264 174.682 2.582 17603 2168 1 3 . 1 1 54 54 THR CA C 54 63.701 63.701 60.887 2.814 17603 2169 1 3 . 1 1 54 54 THR CB C 54 70.615 70.615 70.632 -0.017 17603 2170 1 3 . 1 1 54 54 THR H H 54 9.034 9.034 8.766 0.268 17603 2171 1 3 . 1 1 55 55 ASN N N 55 120.027 120.027 118.436 1.591 17603 2172 1 3 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.694 -0.310 17603 2173 1 3 . 1 1 55 55 ASN C C 55 175.774 175.774 175.670 0.104 17603 2174 1 3 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.033 2.393 17603 2175 1 3 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.711 -0.066 17603 2176 1 3 . 1 1 55 55 ASN H H 55 9.426 9.426 8.341 1.085 17603 2177 1 3 . 1 1 56 56 GLY N N 56 103.056 103.056 108.269 -5.213 17603 2178 1 3 . 1 1 56 56 GLY C C 56 172.072 172.072 172.903 -0.831 17603 2179 1 3 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.169 0.017 17603 2180 1 3 . 1 1 56 56 GLY H H 56 8.662 8.662 7.810 0.852 17603 2181 1 3 . 1 1 57 57 VAL N N 57 119.999 119.999 118.572 1.427 17603 2182 1 3 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.292 -0.163 17603 2183 1 3 . 1 1 57 57 VAL C C 57 174.971 174.971 174.876 0.095 17603 2184 1 3 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.689 1.332 17603 2185 1 3 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.642 0.528 17603 2186 1 3 . 1 1 57 57 VAL H H 57 7.444 7.444 7.422 0.022 17603 2187 1 3 . 1 1 58 58 ILE N N 58 116.746 116.746 121.345 -4.599 17603 2188 1 3 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.093 -0.247 17603 2189 1 3 . 1 1 58 58 ILE C C 58 175.376 175.376 175.217 0.159 17603 2190 1 3 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.914 0.725 17603 2191 1 3 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.923 -0.051 17603 2192 1 3 . 1 1 58 58 ILE H H 58 8.562 8.562 9.074 -0.512 17603 2193 1 3 . 1 1 59 59 THR N N 59 109.208 109.208 112.606 -3.398 17603 2194 1 3 . 1 1 59 59 THR HA H 59 4.632 4.632 4.660 -0.028 17603 2195 1 3 . 1 1 59 59 THR C C 59 176.431 176.431 174.811 1.620 17603 2196 1 3 . 1 1 59 59 THR CA C 59 59.899 59.899 60.182 -0.283 17603 2197 1 3 . 1 1 59 59 THR CB C 59 71.419 71.419 70.272 1.147 17603 2198 1 3 . 1 1 59 59 THR H H 59 8.682 8.682 9.057 -0.375 17603 2199 1 3 . 1 1 60 60 LYS N N 60 121.442 121.442 121.685 -0.243 17603 2200 1 3 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.957 -0.118 17603 2201 1 3 . 1 1 60 60 LYS C C 60 178.238 178.238 178.333 -0.095 17603 2202 1 3 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.458 0.305 17603 2203 1 3 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.267 -0.251 17603 2204 1 3 . 1 1 60 60 LYS H H 60 9.097 9.097 8.817 0.280 17603 2205 1 3 . 1 1 61 61 ASP N N 61 117.513 117.513 118.386 -0.873 17603 2206 1 3 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.408 -0.041 17603 2207 1 3 . 1 1 61 61 ASP C C 61 179.613 179.613 179.023 0.590 17603 2208 1 3 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.525 -0.170 17603 2209 1 3 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.177 0.344 17603 2210 1 3 . 1 1 61 61 ASP H H 61 8.234 8.234 8.537 -0.303 17603 2211 1 3 . 1 1 62 62 GLU N N 62 121.613 121.613 120.192 1.421 17603 2212 1 3 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.066 -0.177 17603 2213 1 3 . 1 1 62 62 GLU C C 62 178.900 178.900 178.820 0.080 17603 2214 1 3 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.107 -0.057 17603 2215 1 3 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.591 -0.108 17603 2216 1 3 . 1 1 62 62 GLU H H 62 7.725 7.725 7.880 -0.155 17603 2217 1 3 . 1 1 63 63 ALA N N 63 121.265 121.265 122.792 -1.527 17603 2218 1 3 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.950 -0.066 17603 2219 1 3 . 1 1 63 63 ALA C C 63 180.712 180.712 179.761 0.951 17603 2220 1 3 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.686 -0.584 17603 2221 1 3 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.397 0.094 17603 2222 1 3 . 1 1 63 63 ALA H H 63 8.500 8.500 8.396 0.104 17603 2223 1 3 . 1 1 64 64 GLU N N 64 120.135 120.135 118.215 1.920 17603 2224 1 3 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.185 -0.091 17603 2225 1 3 . 1 1 64 64 GLU C C 64 177.848 177.848 178.919 -1.071 17603 2226 1 3 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.416 0.341 17603 2227 1 3 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.629 -0.516 17603 2228 1 3 . 1 1 64 64 GLU H H 64 8.412 8.412 8.387 0.025 17603 2229 1 3 . 1 1 65 65 LYS N N 65 122.023 122.023 121.366 0.657 17603 2230 1 3 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.092 0.060 17603 2231 1 3 . 1 1 65 65 LYS C C 65 179.601 179.601 179.004 0.597 17603 2232 1 3 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.639 0.479 17603 2233 1 3 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.413 -0.093 17603 2234 1 3 . 1 1 65 65 LYS H H 65 7.853 7.853 8.004 -0.151 17603 2235 1 3 . 1 1 66 66 LEU N N 66 118.739 118.739 119.317 -0.578 17603 2236 1 3 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.931 0.002 17603 2237 1 3 . 1 1 66 66 LEU C C 66 177.920 177.920 179.101 -1.181 17603 2238 1 3 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.906 -0.404 17603 2239 1 3 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.590 0.790 17603 2240 1 3 . 1 1 66 66 LEU H H 66 7.822 7.822 8.098 -0.276 17603 2241 1 3 . 1 1 67 67 PHE N N 67 119.050 119.050 120.237 -1.187 17603 2242 1 3 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.255 0.940 17603 2243 1 3 . 1 1 67 67 PHE C C 67 177.421 177.421 177.527 -0.106 17603 2244 1 3 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.805 -0.872 17603 2245 1 3 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.918 1.057 17603 2246 1 3 . 1 1 67 67 PHE H H 67 8.075 8.075 8.456 -0.381 17603 2247 1 3 . 1 1 68 68 ASN N N 68 118.041 118.041 117.396 0.645 17603 2248 1 3 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.361 -0.112 17603 2249 1 3 . 1 1 68 68 ASN C C 68 178.777 178.777 177.566 1.211 17603 2250 1 3 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.531 0.527 17603 2251 1 3 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.591 -0.100 17603 2252 1 3 . 1 1 68 68 ASN H H 68 8.505 8.505 8.562 -0.057 17603 2253 1 3 . 1 1 69 69 GLN N N 69 118.812 118.812 119.182 -0.370 17603 2254 1 3 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.993 0.186 17603 2255 1 3 . 1 1 69 69 GLN C C 69 178.938 178.938 178.451 0.487 17603 2256 1 3 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.155 -0.266 17603 2257 1 3 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.708 -0.156 17603 2258 1 3 . 1 1 69 69 GLN H H 69 7.763 7.763 8.086 -0.323 17603 2259 1 3 . 1 1 70 70 ASP N N 70 123.281 123.281 120.949 2.332 17603 2260 1 3 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.483 0.016 17603 2261 1 3 . 1 1 70 70 ASP C C 70 180.101 180.101 178.988 1.113 17603 2262 1 3 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.395 -0.353 17603 2263 1 3 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.631 -0.191 17603 2264 1 3 . 1 1 70 70 ASP H H 70 8.757 8.757 8.468 0.289 17603 2265 1 3 . 1 1 71 71 VAL N N 71 125.532 125.532 120.709 4.823 17603 2266 1 3 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.422 0.174 17603 2267 1 3 . 1 1 71 71 VAL C C 71 177.160 177.160 177.552 -0.392 17603 2268 1 3 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.714 1.295 17603 2269 1 3 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.209 0.374 17603 2270 1 3 . 1 1 71 71 VAL H H 71 9.015 9.015 8.325 0.690 17603 2271 1 3 . 1 1 72 72 ASP N N 72 119.221 119.221 119.973 -0.752 17603 2272 1 3 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.240 0.122 17603 2273 1 3 . 1 1 72 72 ASP C C 72 178.561 178.561 178.181 0.380 17603 2274 1 3 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.302 0.021 17603 2275 1 3 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.083 1.000 17603 2276 1 3 . 1 1 72 72 ASP H H 72 7.599 7.599 8.134 -0.535 17603 2277 1 3 . 1 1 73 73 ALA N N 73 120.038 120.038 121.706 -1.668 17603 2278 1 3 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.032 -0.033 17603 2279 1 3 . 1 1 73 73 ALA C C 73 180.491 180.491 179.558 0.933 17603 2280 1 3 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.061 0.025 17603 2281 1 3 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.212 0.310 17603 2282 1 3 . 1 1 73 73 ALA H H 73 8.276 8.276 8.254 0.022 17603 2283 1 3 . 1 1 74 74 ALA N N 74 123.435 123.435 121.718 1.717 17603 2284 1 3 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.952 0.211 17603 2285 1 3 . 1 1 74 74 ALA C C 74 178.997 178.997 179.457 -0.460 17603 2286 1 3 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.905 -0.078 17603 2287 1 3 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.437 -0.007 17603 2288 1 3 . 1 1 74 74 ALA H H 74 7.925 7.925 7.702 0.223 17603 2289 1 3 . 1 1 75 75 VAL N N 75 118.091 118.091 119.057 -0.966 17603 2290 1 3 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.267 -0.036 17603 2291 1 3 . 1 1 75 75 VAL C C 75 178.108 178.108 177.969 0.139 17603 2292 1 3 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.946 0.096 17603 2293 1 3 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.483 0.355 17603 2294 1 3 . 1 1 75 75 VAL H H 75 8.141 8.141 7.886 0.255 17603 2295 1 3 . 1 1 76 76 ARG N N 76 117.779 117.779 119.360 -1.581 17603 2296 1 3 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.892 -0.091 17603 2297 1 3 . 1 1 76 76 ARG C C 76 178.816 178.816 178.915 -0.099 17603 2298 1 3 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.968 -0.056 17603 2299 1 3 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.821 0.405 17603 2300 1 3 . 1 1 76 76 ARG H H 76 8.358 8.358 8.663 -0.305 17603 2301 1 3 . 1 1 77 77 GLY N N 77 105.669 105.669 107.258 -1.589 17603 2302 1 3 . 1 1 77 77 GLY C C 77 176.097 176.097 175.782 0.315 17603 2303 1 3 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.725 -0.051 17603 2304 1 3 . 1 1 77 77 GLY H H 77 7.999 7.999 8.119 -0.120 17603 2305 1 3 . 1 1 78 78 ILE N N 78 122.001 122.001 122.050 -0.049 17603 2306 1 3 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.698 -0.055 17603 2307 1 3 . 1 1 78 78 ILE C C 78 177.194 177.194 178.272 -1.078 17603 2308 1 3 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.723 0.499 17603 2309 1 3 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.885 0.077 17603 2310 1 3 . 1 1 78 78 ILE H H 78 7.579 7.579 7.744 -0.165 17603 2311 1 3 . 1 1 79 79 LEU N N 79 115.459 115.459 117.798 -2.339 17603 2312 1 3 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.019 -0.259 17603 2313 1 3 . 1 1 79 79 LEU C C 79 178.673 178.673 178.116 0.557 17603 2314 1 3 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.949 0.268 17603 2315 1 3 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.621 -0.177 17603 2316 1 3 . 1 1 79 79 LEU H H 79 7.929 7.929 8.035 -0.106 17603 2317 1 3 . 1 1 80 80 ARG N N 80 114.830 114.830 114.610 0.220 17603 2318 1 3 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.314 -0.058 17603 2319 1 3 . 1 1 80 80 ARG C C 80 175.076 175.076 175.792 -0.716 17603 2320 1 3 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.148 -0.118 17603 2321 1 3 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.605 -0.230 17603 2322 1 3 . 1 1 80 80 ARG H H 80 7.680 7.680 7.644 0.036 17603 2323 1 3 . 1 1 81 81 ASN N N 81 120.935 120.935 118.734 2.201 17603 2324 1 3 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.798 -0.039 17603 2325 1 3 . 1 1 81 81 ASN C C 81 174.612 174.612 175.222 -0.610 17603 2326 1 3 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.295 0.219 17603 2327 1 3 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.307 -0.508 17603 2328 1 3 . 1 1 81 81 ASN H H 81 7.516 7.516 7.509 0.007 17603 2329 1 3 . 1 1 82 82 ALA N N 82 128.007 128.007 129.608 -1.601 17603 2330 1 3 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.171 -0.099 17603 2331 1 3 . 1 1 82 82 ALA C C 82 178.837 178.837 178.570 0.267 17603 2332 1 3 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.561 0.324 17603 2333 1 3 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.833 0.144 17603 2334 1 3 . 1 1 82 82 ALA H H 82 8.784 8.784 8.974 -0.190 17603 2335 1 3 . 1 1 83 83 LYS N N 83 114.232 114.232 117.392 -3.160 17603 2336 1 3 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.240 -0.009 17603 2337 1 3 . 1 1 83 83 LYS C C 83 177.362 177.362 178.644 -1.282 17603 2338 1 3 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.556 -0.991 17603 2339 1 3 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.979 -0.176 17603 2340 1 3 . 1 1 83 83 LYS H H 83 8.075 8.075 8.216 -0.141 17603 2341 1 3 . 1 1 84 84 LEU N N 84 115.899 115.899 120.333 -4.434 17603 2342 1 3 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.194 -0.015 17603 2343 1 3 . 1 1 84 84 LEU C C 84 178.322 178.322 178.265 0.057 17603 2344 1 3 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.236 -0.605 17603 2345 1 3 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.103 0.830 17603 2346 1 3 . 1 1 84 84 LEU H H 84 7.422 7.422 8.467 -1.045 17603 2347 1 3 . 1 1 85 85 LYS N N 85 120.723 120.723 120.632 0.091 17603 2348 1 3 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.012 0.524 17603 2349 1 3 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.496 -0.533 17603 2350 1 3 . 1 1 85 85 LYS H H 85 8.407 8.407 8.402 0.005 17603 2351 1 3 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.328 0.133 17603 2352 1 3 . 1 1 86 86 PRO C C 86 180.075 180.075 179.202 0.873 17603 2353 1 3 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.823 0.021 17603 2354 1 3 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.131 -0.324 17603 2355 1 3 . 1 1 87 87 VAL N N 87 116.002 116.002 118.672 -2.670 17603 2356 1 3 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.763 0.027 17603 2357 1 3 . 1 1 87 87 VAL C C 87 178.477 178.477 178.259 0.218 17603 2358 1 3 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.277 -0.844 17603 2359 1 3 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.775 -0.279 17603 2360 1 3 . 1 1 87 87 VAL H H 87 6.903 6.903 7.285 -0.382 17603 2361 1 3 . 1 1 88 88 TYR N N 88 123.146 123.146 121.193 1.953 17603 2362 1 3 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.132 -0.195 17603 2363 1 3 . 1 1 88 88 TYR C C 88 177.346 177.346 178.207 -0.861 17603 2364 1 3 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.994 1.018 17603 2365 1 3 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.424 1.271 17603 2366 1 3 . 1 1 88 88 TYR H H 88 8.454 8.454 8.698 -0.244 17603 2367 1 3 . 1 1 89 89 ASP N N 89 117.059 117.059 117.615 -0.556 17603 2368 1 3 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.366 -0.058 17603 2369 1 3 . 1 1 89 89 ASP C C 89 178.136 178.136 178.460 -0.324 17603 2370 1 3 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.304 -0.679 17603 2371 1 3 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.150 0.436 17603 2372 1 3 . 1 1 89 89 ASP H H 89 9.057 9.057 8.935 0.122 17603 2373 1 3 . 1 1 90 90 SER N N 90 113.398 113.398 114.086 -0.688 17603 2374 1 3 . 1 1 90 90 SER HA H 90 4.435 4.435 4.345 0.090 17603 2375 1 3 . 1 1 90 90 SER C C 90 174.464 174.464 175.011 -0.547 17603 2376 1 3 . 1 1 90 90 SER CA C 90 59.549 59.549 59.572 -0.023 17603 2377 1 3 . 1 1 90 90 SER CB C 90 64.598 64.598 63.450 1.148 17603 2378 1 3 . 1 1 90 90 SER H H 90 7.385 7.385 7.646 -0.261 17603 2379 1 3 . 1 1 91 91 LEU N N 91 123.580 123.580 123.699 -0.119 17603 2380 1 3 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.508 -0.095 17603 2381 1 3 . 1 1 91 91 LEU C C 91 176.375 176.375 176.747 -0.372 17603 2382 1 3 . 1 1 91 91 LEU CA C 91 55.070 55.070 53.996 1.073 17603 2383 1 3 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.152 -0.342 17603 2384 1 3 . 1 1 91 91 LEU H H 91 7.477 7.477 7.360 0.117 17603 2385 1 3 . 1 1 92 92 ASP N N 92 116.218 116.218 121.913 -5.695 17603 2386 1 3 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.477 0.089 17603 2387 1 3 . 1 1 92 92 ASP C C 92 175.360 175.360 176.737 -1.377 17603 2388 1 3 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.974 -1.387 17603 2389 1 3 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.175 0.665 17603 2390 1 3 . 1 1 92 92 ASP H H 92 7.440 7.440 8.448 -1.008 17603 2391 1 3 . 1 1 93 93 ALA N N 93 119.801 119.801 122.085 -2.284 17603 2392 1 3 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.040 -0.300 17603 2393 1 3 . 1 1 93 93 ALA C C 93 179.894 179.894 179.749 0.145 17603 2394 1 3 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.809 1.420 17603 2395 1 3 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.856 0.453 17603 2396 1 3 . 1 1 93 93 ALA H H 93 8.682 8.682 8.536 0.146 17603 2397 1 3 . 1 1 94 94 VAL N N 94 118.735 118.735 118.198 0.537 17603 2398 1 3 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.228 -0.200 17603 2399 1 3 . 1 1 94 94 VAL C C 94 177.116 177.116 177.851 -0.735 17603 2400 1 3 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.773 -0.055 17603 2401 1 3 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.136 -0.195 17603 2402 1 3 . 1 1 94 94 VAL H H 94 7.580 7.580 7.582 -0.002 17603 2403 1 3 . 1 1 95 95 ARG N N 95 119.108 119.108 118.651 0.457 17603 2404 1 3 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.653 -0.373 17603 2405 1 3 . 1 1 95 95 ARG C C 95 178.366 178.366 178.729 -0.363 17603 2406 1 3 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.397 1.017 17603 2407 1 3 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.972 0.451 17603 2408 1 3 . 1 1 95 95 ARG H H 95 7.729 7.729 8.102 -0.373 17603 2409 1 3 . 1 1 96 96 ARG N N 96 118.307 118.307 119.573 -1.266 17603 2410 1 3 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.968 -0.314 17603 2411 1 3 . 1 1 96 96 ARG C C 96 177.841 177.841 178.398 -0.557 17603 2412 1 3 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.379 1.279 17603 2413 1 3 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.651 0.861 17603 2414 1 3 . 1 1 96 96 ARG H H 96 8.638 8.638 8.391 0.247 17603 2415 1 3 . 1 1 97 97 ALA N N 97 120.196 120.196 121.305 -1.109 17603 2416 1 3 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.005 -0.018 17603 2417 1 3 . 1 1 97 97 ALA C C 97 178.768 178.768 178.973 -0.205 17603 2418 1 3 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.038 0.196 17603 2419 1 3 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.250 0.004 17603 2420 1 3 . 1 1 97 97 ALA H H 97 7.019 7.019 7.441 -0.422 17603 2421 1 3 . 1 1 98 98 ALA N N 98 119.143 119.143 121.051 -1.908 17603 2422 1 3 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.749 -0.177 17603 2423 1 3 . 1 1 98 98 ALA C C 98 177.328 177.328 179.108 -1.780 17603 2424 1 3 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.519 0.918 17603 2425 1 3 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.506 -1.613 17603 2426 1 3 . 1 1 98 98 ALA H H 98 7.097 7.097 7.203 -0.106 17603 2427 1 3 . 1 1 99 99 ALA N N 99 119.971 119.971 121.776 -1.805 17603 2428 1 3 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.142 -0.546 17603 2429 1 3 . 1 1 99 99 ALA C C 99 178.026 178.026 179.609 -1.583 17603 2430 1 3 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.222 0.162 17603 2431 1 3 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.551 -0.134 17603 2432 1 3 . 1 1 99 99 ALA H H 99 7.665 7.665 7.696 -0.031 17603 2433 1 3 . 1 1 100 100 ILE N N 100 116.372 116.372 117.693 -1.321 17603 2434 1 3 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.650 -0.318 17603 2435 1 3 . 1 1 100 100 ILE C C 100 177.103 177.103 177.907 -0.804 17603 2436 1 3 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.210 -0.552 17603 2437 1 3 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.645 -0.634 17603 2438 1 3 . 1 1 100 100 ILE H H 100 8.110 8.110 8.345 -0.235 17603 2439 1 3 . 1 1 101 101 ASN N N 101 116.550 116.550 117.634 -1.084 17603 2440 1 3 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.532 -0.645 17603 2441 1 3 . 1 1 101 101 ASN C C 101 177.350 177.350 177.139 0.211 17603 2442 1 3 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.482 1.614 17603 2443 1 3 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.672 0.251 17603 2444 1 3 . 1 1 101 101 ASN H H 101 8.098 8.098 7.837 0.261 17603 2445 1 3 . 1 1 102 102 MET N N 102 114.177 114.177 117.335 -3.158 17603 2446 1 3 . 1 1 102 102 MET HA H 102 3.746 3.746 4.099 -0.353 17603 2447 1 3 . 1 1 102 102 MET C C 102 177.507 177.507 177.860 -0.353 17603 2448 1 3 . 1 1 102 102 MET CA C 102 60.473 60.473 57.832 2.641 17603 2449 1 3 . 1 1 102 102 MET CB C 102 33.218 33.218 32.383 0.835 17603 2450 1 3 . 1 1 102 102 MET H H 102 7.647 7.647 8.092 -0.445 17603 2451 1 3 . 1 1 103 103 VAL N N 103 107.836 107.836 111.720 -3.884 17603 2452 1 3 . 1 1 103 103 VAL HA H 103 4.198 4.198 3.901 0.297 17603 2453 1 3 . 1 1 103 103 VAL C C 103 175.893 175.893 176.566 -0.673 17603 2454 1 3 . 1 1 103 103 VAL CA C 103 60.939 60.939 63.345 -2.406 17603 2455 1 3 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.107 -1.009 17603 2456 1 3 . 1 1 103 103 VAL H H 103 7.332 7.332 7.759 -0.427 17603 2457 1 3 . 1 1 104 104 PHE N N 104 125.985 125.985 123.157 2.828 17603 2458 1 3 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.232 -0.125 17603 2459 1 3 . 1 1 104 104 PHE C C 104 176.884 176.884 174.452 2.432 17603 2460 1 3 . 1 1 104 104 PHE CA C 104 60.915 60.915 58.650 2.265 17603 2461 1 3 . 1 1 104 104 PHE CB C 104 39.768 39.768 37.580 2.188 17603 2462 1 3 . 1 1 104 104 PHE H H 104 7.978 7.978 7.337 0.641 17603 2463 1 3 . 1 1 105 105 GLN N N 105 120.302 120.302 121.417 -1.115 17603 2464 1 3 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.727 -0.217 17603 2465 1 3 . 1 1 105 105 GLN C C 105 174.976 174.976 174.311 0.665 17603 2466 1 3 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.517 1.212 17603 2467 1 3 . 1 1 105 105 GLN CB C 105 27.304 27.304 26.131 1.173 17603 2468 1 3 . 1 1 105 105 GLN H H 105 8.448 8.448 8.468 -0.020 17603 2469 1 3 . 1 1 106 106 MET N N 106 117.189 117.189 117.719 -0.530 17603 2470 1 3 . 1 1 106 106 MET HA H 106 4.184 4.184 4.088 0.096 17603 2471 1 3 . 1 1 106 106 MET C C 106 176.961 176.961 174.057 2.904 17603 2472 1 3 . 1 1 106 106 MET CA C 106 54.873 54.873 55.084 -0.211 17603 2473 1 3 . 1 1 106 106 MET CB C 106 30.057 30.057 34.548 -4.492 17603 2474 1 3 . 1 1 106 106 MET H H 106 8.987 8.987 7.998 0.989 17603 2475 1 3 . 1 1 107 107 GLY N N 107 107.787 107.787 105.190 2.597 17603 2476 1 3 . 1 1 107 107 GLY C C 107 174.999 174.999 173.825 1.174 17603 2477 1 3 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.243 1.976 17603 2478 1 3 . 1 1 107 107 GLY H H 107 7.777 7.777 7.313 0.464 17603 2479 1 3 . 1 1 108 108 GLU N N 108 123.604 123.604 122.605 0.999 17603 2480 1 3 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.064 -0.080 17603 2481 1 3 . 1 1 108 108 GLU C C 108 179.574 179.574 178.001 1.573 17603 2482 1 3 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.563 0.381 17603 2483 1 3 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.891 0.048 17603 2484 1 3 . 1 1 108 108 GLU H H 108 8.779 8.779 8.807 -0.028 17603 2485 1 3 . 1 1 109 109 THR N N 109 111.822 111.822 112.114 -0.292 17603 2486 1 3 . 1 1 109 109 THR HA H 109 4.176 4.176 4.262 -0.086 17603 2487 1 3 . 1 1 109 109 THR C C 109 178.459 178.459 176.862 1.597 17603 2488 1 3 . 1 1 109 109 THR CA C 109 65.535 65.535 65.507 0.028 17603 2489 1 3 . 1 1 109 109 THR CB C 109 67.945 67.945 68.360 -0.415 17603 2490 1 3 . 1 1 109 109 THR H H 109 8.576 8.576 8.232 0.344 17603 2491 1 3 . 1 1 110 110 GLY N N 110 115.113 115.113 110.520 4.593 17603 2492 1 3 . 1 1 110 110 GLY C C 110 175.653 175.653 176.280 -0.627 17603 2493 1 3 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.612 0.605 17603 2494 1 3 . 1 1 110 110 GLY H H 110 8.521 8.521 8.188 0.333 17603 2495 1 3 . 1 1 111 111 VAL N N 111 120.852 120.852 122.670 -1.818 17603 2496 1 3 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.755 -0.234 17603 2497 1 3 . 1 1 111 111 VAL C C 111 179.689 179.689 177.738 1.951 17603 2498 1 3 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.187 0.867 17603 2499 1 3 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.736 0.096 17603 2500 1 3 . 1 1 111 111 VAL H H 111 8.048 8.048 8.114 -0.066 17603 2501 1 3 . 1 1 112 112 ALA N N 112 124.525 124.525 122.437 2.088 17603 2502 1 3 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.037 0.105 17603 2503 1 3 . 1 1 112 112 ALA C C 112 179.412 179.412 179.266 0.146 17603 2504 1 3 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.164 0.259 17603 2505 1 3 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.146 0.112 17603 2506 1 3 . 1 1 112 112 ALA H H 112 8.255 8.255 8.174 0.081 17603 2507 1 3 . 1 1 113 113 ALA N N 113 120.490 120.490 121.024 -0.534 17603 2508 1 3 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.069 0.113 17603 2509 1 3 . 1 1 113 113 ALA C C 113 179.965 179.965 178.941 1.024 17603 2510 1 3 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.923 0.047 17603 2511 1 3 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.587 -0.523 17603 2512 1 3 . 1 1 113 113 ALA H H 113 7.861 7.861 7.985 -0.124 17603 2513 1 3 . 1 1 114 114 PHE N N 114 120.157 120.157 118.311 1.846 17603 2514 1 3 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.198 -0.141 17603 2515 1 3 . 1 1 114 114 PHE C C 114 177.765 177.765 178.040 -0.275 17603 2516 1 3 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.504 -0.571 17603 2517 1 3 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.955 0.169 17603 2518 1 3 . 1 1 114 114 PHE H H 114 8.126 8.126 8.217 -0.091 17603 2519 1 3 . 1 1 115 115 THR N N 115 114.478 114.478 116.441 -1.963 17603 2520 1 3 . 1 1 115 115 THR HA H 115 3.470 3.470 3.812 -0.342 17603 2521 1 3 . 1 1 115 115 THR C C 115 176.924 176.924 176.692 0.232 17603 2522 1 3 . 1 1 115 115 THR CA C 115 67.000 67.000 67.082 -0.082 17603 2523 1 3 . 1 1 115 115 THR CB C 115 68.320 68.320 68.443 -0.123 17603 2524 1 3 . 1 1 115 115 THR H H 115 8.504 8.504 8.455 0.049 17603 2525 1 3 . 1 1 116 116 ASN N N 116 119.632 119.632 118.537 1.095 17603 2526 1 3 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.638 -0.138 17603 2527 1 3 . 1 1 116 116 ASN C C 116 176.009 176.009 175.905 0.104 17603 2528 1 3 . 1 1 116 116 ASN CA C 116 57.243 57.243 54.745 2.498 17603 2529 1 3 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.215 0.385 17603 2530 1 3 . 1 1 116 116 ASN H H 116 8.337 8.337 7.827 0.510 17603 2531 1 3 . 1 1 117 117 SER N N 117 112.765 112.765 113.584 -0.819 17603 2532 1 3 . 1 1 117 117 SER HA H 117 4.590 4.590 4.601 -0.011 17603 2533 1 3 . 1 1 117 117 SER C C 117 174.808 174.808 174.234 0.574 17603 2534 1 3 . 1 1 117 117 SER CA C 117 59.470 59.470 57.995 1.475 17603 2535 1 3 . 1 1 117 117 SER CB C 117 64.474 64.474 63.908 0.566 17603 2536 1 3 . 1 1 117 117 SER H H 117 7.424 7.424 7.418 0.006 17603 2537 1 3 . 1 1 118 118 LEU N N 118 122.210 122.210 122.975 -0.765 17603 2538 1 3 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.462 0.188 17603 2539 1 3 . 1 1 118 118 LEU H H 118 7.195 7.195 7.299 -0.104 17603 2540 1 3 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.145 0.137 17603 2541 1 3 . 1 1 119 119 PRO C C 119 179.207 179.207 178.608 0.599 17603 2542 1 3 . 1 1 119 119 PRO CA C 119 66.239 66.239 66.084 0.155 17603 2543 1 3 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.327 -0.357 17603 2544 1 3 . 1 1 120 120 MET N N 120 112.465 112.465 114.917 -2.452 17603 2545 1 3 . 1 1 120 120 MET HA H 120 4.005 4.005 4.182 -0.177 17603 2546 1 3 . 1 1 120 120 MET C C 120 178.137 178.137 178.313 -0.176 17603 2547 1 3 . 1 1 120 120 MET CA C 120 58.747 58.747 57.690 1.057 17603 2548 1 3 . 1 1 120 120 MET CB C 120 32.510 32.510 31.376 1.134 17603 2549 1 3 . 1 1 120 120 MET H H 120 7.126 7.126 7.942 -0.816 17603 2550 1 3 . 1 1 121 121 LEU N N 121 118.534 118.534 119.924 -1.390 17603 2551 1 3 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.961 -0.120 17603 2552 1 3 . 1 1 121 121 LEU C C 121 180.140 180.140 179.822 0.318 17603 2553 1 3 . 1 1 121 121 LEU CA C 121 57.379 57.379 57.935 -0.556 17603 2554 1 3 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.274 0.863 17603 2555 1 3 . 1 1 121 121 LEU H H 121 7.695 7.695 7.472 0.223 17603 2556 1 3 . 1 1 122 122 GLN N N 122 119.537 119.537 119.523 0.014 17603 2557 1 3 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.029 -0.167 17603 2558 1 3 . 1 1 122 122 GLN C C 122 176.722 176.722 177.823 -1.101 17603 2559 1 3 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.239 0.601 17603 2560 1 3 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.796 -0.005 17603 2561 1 3 . 1 1 122 122 GLN H H 122 8.845 8.845 8.500 0.345 17603 2562 1 3 . 1 1 123 123 GLN N N 123 113.333 113.333 115.629 -2.296 17603 2563 1 3 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.209 -0.055 17603 2564 1 3 . 1 1 123 123 GLN C C 123 174.075 174.075 175.074 -0.999 17603 2565 1 3 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.562 -0.553 17603 2566 1 3 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.893 0.840 17603 2567 1 3 . 1 1 123 123 GLN H H 123 6.862 6.862 7.550 -0.688 17603 2568 1 3 . 1 1 124 124 LYS N N 124 114.431 114.431 114.532 -0.101 17603 2569 1 3 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.268 2.187 17603 2570 1 3 . 1 1 124 124 LYS C C 124 174.727 174.727 175.157 -0.430 17603 2571 1 3 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.414 0.035 17603 2572 1 3 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.830 -0.447 17603 2573 1 3 . 1 1 124 124 LYS H H 124 7.238 7.238 7.378 -0.140 17603 2574 1 3 . 1 1 125 125 ARG N N 125 119.411 119.411 118.644 0.767 17603 2575 1 3 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.182 0.078 17603 2576 1 3 . 1 1 125 125 ARG C C 125 177.251 177.251 176.339 0.912 17603 2577 1 3 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.549 -0.976 17603 2578 1 3 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.596 -0.385 17603 2579 1 3 . 1 1 125 125 ARG H H 125 7.651 7.651 7.991 -0.340 17603 2580 1 3 . 1 1 126 126 TRP N N 126 119.823 119.823 123.539 -3.716 17603 2581 1 3 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.262 0.060 17603 2582 1 3 . 1 1 126 126 TRP C C 126 178.830 178.830 177.711 1.119 17603 2583 1 3 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.463 -1.639 17603 2584 1 3 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.307 2.154 17603 2585 1 3 . 1 1 126 126 TRP H H 126 6.865 6.865 7.445 -0.580 17603 2586 1 3 . 1 1 127 127 ASP N N 127 116.894 116.894 117.718 -0.824 17603 2587 1 3 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.413 -0.013 17603 2588 1 3 . 1 1 127 127 ASP C C 127 178.748 178.748 178.543 0.205 17603 2589 1 3 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.992 -0.307 17603 2590 1 3 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.846 0.201 17603 2591 1 3 . 1 1 127 127 ASP H H 127 8.598 8.598 8.865 -0.267 17603 2592 1 3 . 1 1 128 128 GLU N N 128 120.788 120.788 120.335 0.453 17603 2593 1 3 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.028 -0.054 17603 2594 1 3 . 1 1 128 128 GLU C C 128 180.057 180.057 178.246 1.811 17603 2595 1 3 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.090 0.436 17603 2596 1 3 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.762 1.109 17603 2597 1 3 . 1 1 128 128 GLU H H 128 8.191 8.191 8.379 -0.188 17603 2598 1 3 . 1 1 129 129 ALA N N 129 122.103 122.103 122.005 0.098 17603 2599 1 3 . 1 1 129 129 ALA HA H 129 3.970 3.970 4.001 -0.031 17603 2600 1 3 . 1 1 129 129 ALA C C 129 178.495 178.495 179.702 -1.207 17603 2601 1 3 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.107 -0.064 17603 2602 1 3 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.172 -0.401 17603 2603 1 3 . 1 1 129 129 ALA H H 129 8.587 8.587 8.546 0.042 17603 2604 1 3 . 1 1 130 130 ALA N N 130 119.336 119.336 121.235 -1.899 17603 2605 1 3 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.960 0.083 17603 2606 1 3 . 1 1 130 130 ALA C C 130 179.804 179.804 179.658 0.146 17603 2607 1 3 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.194 0.624 17603 2608 1 3 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.490 0.406 17603 2609 1 3 . 1 1 130 130 ALA H H 130 8.235 8.235 8.083 0.152 17603 2610 1 3 . 1 1 131 131 VAL N N 131 118.685 118.685 118.627 0.058 17603 2611 1 3 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.443 0.136 17603 2612 1 3 . 1 1 131 131 VAL C C 131 178.078 178.078 178.308 -0.230 17603 2613 1 3 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.698 -0.379 17603 2614 1 3 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.511 0.624 17603 2615 1 3 . 1 1 131 131 VAL H H 131 7.697 7.697 8.210 -0.513 17603 2616 1 3 . 1 1 132 132 ASN N N 132 118.648 118.648 117.969 0.679 17603 2617 1 3 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.486 -0.225 17603 2618 1 3 . 1 1 132 132 ASN C C 132 178.965 178.965 178.071 0.894 17603 2619 1 3 . 1 1 132 132 ASN CA C 132 57.172 57.172 55.733 1.439 17603 2620 1 3 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.206 1.592 17603 2621 1 3 . 1 1 132 132 ASN H H 132 7.569 7.569 8.105 -0.536 17603 2622 1 3 . 1 1 133 133 LEU N N 133 120.750 120.750 119.958 0.792 17603 2623 1 3 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.281 -0.055 17603 2624 1 3 . 1 1 133 133 LEU C C 133 179.956 179.956 178.737 1.219 17603 2625 1 3 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.525 0.552 17603 2626 1 3 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.104 1.909 17603 2627 1 3 . 1 1 133 133 LEU H H 133 8.903 8.903 8.311 0.592 17603 2628 1 3 . 1 1 134 134 ALA N N 134 121.339 121.339 120.740 0.599 17603 2629 1 3 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.767 -0.115 17603 2630 1 3 . 1 1 134 134 ALA C C 134 176.582 176.582 177.525 -0.943 17603 2631 1 3 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.947 -0.752 17603 2632 1 3 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.270 -0.734 17603 2633 1 3 . 1 1 134 134 ALA H H 134 7.681 7.681 7.827 -0.146 17603 2634 1 3 . 1 1 135 135 LYS N N 135 116.197 116.197 116.697 -0.500 17603 2635 1 3 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.279 0.091 17603 2636 1 3 . 1 1 135 135 LYS C C 135 176.573 176.573 176.641 -0.068 17603 2637 1 3 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.713 -0.149 17603 2638 1 3 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.380 0.316 17603 2639 1 3 . 1 1 135 135 LYS H H 135 7.168 7.168 7.701 -0.533 17603 2640 1 3 . 1 1 136 136 SER N N 136 115.115 115.115 115.176 -0.061 17603 2641 1 3 . 1 1 136 136 SER HA H 136 4.503 4.503 4.442 0.061 17603 2642 1 3 . 1 1 136 136 SER C C 136 174.968 174.968 175.421 -0.453 17603 2643 1 3 . 1 1 136 136 SER CA C 136 58.565 58.565 58.062 0.503 17603 2644 1 3 . 1 1 136 136 SER CB C 136 66.690 66.690 65.193 1.497 17603 2645 1 3 . 1 1 136 136 SER H H 136 7.546 7.546 7.722 -0.176 17603 2646 1 3 . 1 1 137 137 ARG N N 137 122.827 122.827 121.251 1.576 17603 2647 1 3 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.274 -0.077 17603 2648 1 3 . 1 1 137 137 ARG C C 137 178.570 178.570 178.754 -0.184 17603 2649 1 3 . 1 1 137 137 ARG CA C 137 59.338 59.338 59.205 0.133 17603 2650 1 3 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.377 -0.585 17603 2651 1 3 . 1 1 137 137 ARG H H 137 8.786 8.786 9.093 -0.307 17603 2652 1 3 . 1 1 138 138 TRP N N 138 119.297 119.297 122.210 -2.913 17603 2653 1 3 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.450 -0.372 17603 2654 1 3 . 1 1 138 138 TRP C C 138 176.101 176.101 177.122 -1.021 17603 2655 1 3 . 1 1 138 138 TRP CA C 138 61.807 61.807 59.515 2.292 17603 2656 1 3 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.265 -0.490 17603 2657 1 3 . 1 1 138 138 TRP H H 138 8.256 8.256 8.190 0.066 17603 2658 1 3 . 1 1 139 139 TYR N N 139 117.950 117.950 119.793 -1.843 17603 2659 1 3 . 1 1 139 139 TYR HA H 139 3.116 3.116 4.069 -0.953 17603 2660 1 3 . 1 1 139 139 TYR C C 139 175.615 175.615 176.479 -0.864 17603 2661 1 3 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.658 -0.857 17603 2662 1 3 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.139 0.677 17603 2663 1 3 . 1 1 139 139 TYR H H 139 7.786 7.786 7.864 -0.078 17603 2664 1 3 . 1 1 140 140 ASN N N 140 111.511 111.511 115.720 -4.209 17603 2665 1 3 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.439 -0.188 17603 2666 1 3 . 1 1 140 140 ASN C C 140 176.804 176.804 176.673 0.131 17603 2667 1 3 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.251 0.108 17603 2668 1 3 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.015 1.575 17603 2669 1 3 . 1 1 140 140 ASN H H 140 7.115 7.115 7.874 -0.759 17603 2670 1 3 . 1 1 141 141 GLN N N 141 117.466 117.466 119.030 -1.564 17603 2671 1 3 . 1 1 141 141 GLN HA H 141 4.113 4.113 3.957 0.156 17603 2672 1 3 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.379 0.350 17603 2673 1 3 . 1 1 141 141 GLN CB C 141 29.647 29.647 28.780 0.867 17603 2674 1 3 . 1 1 141 141 GLN H H 141 7.855 7.855 7.831 0.024 17603 2675 1 3 . 1 1 142 142 THR N N 142 110.630 110.630 109.342 1.288 17603 2676 1 3 . 1 1 142 142 THR CA C 142 56.326 56.326 58.843 -2.517 17603 2677 1 3 . 1 1 142 142 THR CB C 142 69.490 69.490 69.048 0.442 17603 2678 1 3 . 1 1 142 142 THR H H 142 6.964 6.964 7.427 -0.463 17603 2679 1 3 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.439 0.222 17603 2680 1 3 . 1 1 143 143 PRO C C 143 178.494 178.494 177.918 0.576 17603 2681 1 3 . 1 1 143 143 PRO CA C 143 65.612 65.612 65.148 0.464 17603 2682 1 3 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.541 0.331 17603 2683 1 3 . 1 1 144 144 ASN N N 144 116.334 116.334 116.847 -0.513 17603 2684 1 3 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.335 -0.020 17603 2685 1 3 . 1 1 144 144 ASN C C 144 177.341 177.341 177.305 0.036 17603 2686 1 3 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.228 0.440 17603 2687 1 3 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.677 -0.011 17603 2688 1 3 . 1 1 144 144 ASN H H 144 7.971 7.971 8.496 -0.525 17603 2689 1 3 . 1 1 145 145 ARG N N 145 121.642 121.642 121.070 0.572 17603 2690 1 3 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.026 -0.096 17603 2691 1 3 . 1 1 145 145 ARG C C 145 177.087 177.087 178.155 -1.068 17603 2692 1 3 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.290 -1.155 17603 2693 1 3 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.311 1.145 17603 2694 1 3 . 1 1 145 145 ARG H H 145 7.750 7.750 8.304 -0.554 17603 2695 1 3 . 1 1 146 146 ALA N N 146 119.316 119.316 121.675 -2.359 17603 2696 1 3 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.134 -0.276 17603 2697 1 3 . 1 1 146 146 ALA C C 146 179.664 179.664 179.037 0.627 17603 2698 1 3 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.639 -0.097 17603 2699 1 3 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.489 1.526 17603 2700 1 3 . 1 1 146 146 ALA H H 146 8.429 8.429 8.595 -0.166 17603 2701 1 3 . 1 1 147 147 LYS N N 147 116.714 116.714 118.976 -2.262 17603 2702 1 3 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.062 -0.021 17603 2703 1 3 . 1 1 147 147 LYS C C 147 179.974 179.974 178.961 1.013 17603 2704 1 3 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.849 0.881 17603 2705 1 3 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.361 0.427 17603 2706 1 3 . 1 1 147 147 LYS H H 147 8.253 8.253 8.105 0.148 17603 2707 1 3 . 1 1 148 148 ARG N N 148 119.234 119.234 118.988 0.246 17603 2708 1 3 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.934 -0.101 17603 2709 1 3 . 1 1 148 148 ARG C C 148 180.146 180.146 178.979 1.167 17603 2710 1 3 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.354 1.439 17603 2711 1 3 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.076 0.162 17603 2712 1 3 . 1 1 148 148 ARG H H 148 7.279 7.279 7.742 -0.463 17603 2713 1 3 . 1 1 149 149 VAL N N 149 125.307 125.307 120.516 4.791 17603 2714 1 3 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.741 -0.284 17603 2715 1 3 . 1 1 149 149 VAL C C 149 178.460 178.460 178.250 0.210 17603 2716 1 3 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.634 1.534 17603 2717 1 3 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.910 0.545 17603 2718 1 3 . 1 1 149 149 VAL H H 149 8.816 8.816 8.122 0.694 17603 2719 1 3 . 1 1 150 150 ILE N N 150 121.097 121.097 120.919 0.178 17603 2720 1 3 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.919 -0.033 17603 2721 1 3 . 1 1 150 150 ILE C C 150 178.378 178.378 178.153 0.225 17603 2722 1 3 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.850 1.518 17603 2723 1 3 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.862 -0.163 17603 2724 1 3 . 1 1 150 150 ILE H H 150 9.547 9.547 8.849 0.698 17603 2725 1 3 . 1 1 151 151 THR N N 151 117.959 117.959 116.796 1.163 17603 2726 1 3 . 1 1 151 151 THR HA H 151 3.933 3.933 4.036 -0.103 17603 2727 1 3 . 1 1 151 151 THR C C 151 176.283 176.283 176.562 -0.279 17603 2728 1 3 . 1 1 151 151 THR CA C 151 67.403 67.403 67.649 -0.246 17603 2729 1 3 . 1 1 151 151 THR CB C 151 68.172 68.172 68.356 -0.185 17603 2730 1 3 . 1 1 151 151 THR H H 151 8.444 8.444 8.527 -0.083 17603 2731 1 3 . 1 1 152 152 THR N N 152 122.010 122.010 119.751 2.259 17603 2732 1 3 . 1 1 152 152 THR HA H 152 3.944 3.944 4.191 -0.247 17603 2733 1 3 . 1 1 152 152 THR C C 152 176.671 176.671 176.302 0.369 17603 2734 1 3 . 1 1 152 152 THR CA C 152 67.498 67.498 66.877 0.621 17603 2735 1 3 . 1 1 152 152 THR H H 152 7.964 7.964 7.769 0.195 17603 2736 1 3 . 1 1 153 153 PHE N N 153 120.387 120.387 121.232 -0.845 17603 2737 1 3 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.107 -0.154 17603 2738 1 3 . 1 1 153 153 PHE C C 153 178.321 178.321 177.382 0.939 17603 2739 1 3 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.745 0.964 17603 2740 1 3 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.425 0.916 17603 2741 1 3 . 1 1 153 153 PHE H H 153 8.375 8.375 8.241 0.134 17603 2742 1 3 . 1 1 154 154 ARG N N 154 118.015 118.015 119.650 -1.635 17603 2743 1 3 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.180 -0.110 17603 2744 1 3 . 1 1 154 154 ARG C C 154 178.076 178.076 178.477 -0.401 17603 2745 1 3 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.902 0.460 17603 2746 1 3 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.546 1.000 17603 2747 1 3 . 1 1 154 154 ARG H H 154 8.795 8.795 8.435 0.360 17603 2748 1 3 . 1 1 155 155 THR N N 155 104.622 104.622 108.862 -4.240 17603 2749 1 3 . 1 1 155 155 THR HA H 155 4.252 4.252 4.304 -0.052 17603 2750 1 3 . 1 1 155 155 THR C C 155 176.765 176.765 175.771 0.994 17603 2751 1 3 . 1 1 155 155 THR CA C 155 62.470 62.470 62.125 0.345 17603 2752 1 3 . 1 1 155 155 THR CB C 155 71.330 71.330 69.932 1.398 17603 2753 1 3 . 1 1 155 155 THR H H 155 8.169 8.169 7.911 0.258 17603 2754 1 3 . 1 1 156 156 GLY N N 156 111.689 111.689 112.334 -0.645 17603 2755 1 3 . 1 1 156 156 GLY C C 156 172.933 172.933 174.176 -1.243 17603 2756 1 3 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.927 0.240 17603 2757 1 3 . 1 1 156 156 GLY H H 156 8.491 8.491 8.021 0.470 17603 2758 1 3 . 1 1 157 157 THR N N 157 108.301 108.301 110.526 -2.225 17603 2759 1 3 . 1 1 157 157 THR HA H 157 4.637 4.637 4.375 0.262 17603 2760 1 3 . 1 1 157 157 THR C C 157 174.086 174.086 173.021 1.065 17603 2761 1 3 . 1 1 157 157 THR CA C 157 58.748 58.748 59.404 -0.656 17603 2762 1 3 . 1 1 157 157 THR CB C 157 72.418 72.418 71.510 0.908 17603 2763 1 3 . 1 1 157 157 THR H H 157 7.603 7.603 7.259 0.344 17603 2764 1 3 . 1 1 158 158 TRP N N 158 118.038 118.038 119.657 -1.619 17603 2765 1 3 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.927 0.137 17603 2766 1 3 . 1 1 158 158 TRP C C 158 177.922 177.922 176.843 1.079 17603 2767 1 3 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.443 -0.097 17603 2768 1 3 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.354 0.425 17603 2769 1 3 . 1 1 158 158 TRP H H 158 8.602 8.602 8.603 -0.001 17603 2770 1 3 . 1 1 159 159 ASP N N 159 119.620 119.620 122.115 -2.495 17603 2771 1 3 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.459 -0.266 17603 2772 1 3 . 1 1 159 159 ASP C C 159 177.407 177.407 178.075 -0.668 17603 2773 1 3 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.607 1.172 17603 2774 1 3 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.258 0.416 17603 2775 1 3 . 1 1 159 159 ASP H H 159 7.909 7.909 7.811 0.098 17603 2776 1 3 . 1 1 160 160 ALA N N 160 119.985 119.985 121.165 -1.180 17603 2777 1 3 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.180 0.021 17603 2778 1 3 . 1 1 160 160 ALA C C 160 177.362 177.362 177.929 -0.567 17603 2779 1 3 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.660 0.069 17603 2780 1 3 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.535 0.083 17603 2781 1 3 . 1 1 160 160 ALA H H 160 9.187 9.187 8.344 0.843 17603 2782 1 3 . 1 1 161 161 TYR N N 161 113.735 113.735 113.356 0.379 17603 2783 1 3 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.635 -0.388 17603 2784 1 3 . 1 1 161 161 TYR C C 161 175.125 175.125 177.428 -2.303 17603 2785 1 3 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.258 0.652 17603 2786 1 3 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.441 0.415 17603 2787 1 3 . 1 1 161 161 TYR H H 161 8.061 8.061 8.017 0.044 17603 2788 1 3 . 1 1 162 162 LYS N N 162 119.491 119.491 120.345 -0.854 17603 2789 1 3 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.229 -0.080 17603 2790 1 3 . 1 1 162 162 LYS C C 162 176.030 176.030 177.872 -1.842 17603 2791 1 3 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.419 -0.961 17603 2792 1 3 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.210 -3.082 17603 2793 1 3 . 1 1 162 162 LYS H H 162 7.262 7.262 7.669 -0.407 17603 2794 1 3 . 1 1 163 163 ASN N N 163 117.131 117.131 115.962 1.169 17603 2795 1 3 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.680 -0.090 17603 2796 1 3 . 1 1 163 163 ASN C C 163 173.691 173.691 175.322 -1.631 17603 2797 1 3 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.505 0.379 17603 2798 1 3 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.059 -0.917 17603 2799 1 3 . 1 1 163 163 ASN H H 163 8.457 8.457 8.405 0.052 17603 2800 1 4 . 1 1 2 2 ASN N N 2 115.826 115.826 119.802 -3.976 17603 2801 1 4 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.571 -0.104 17603 2802 1 4 . 1 1 2 2 ASN C C 2 174.640 174.640 174.605 0.035 17603 2803 1 4 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.046 -0.132 17603 2804 1 4 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.047 0.197 17603 2805 1 4 . 1 1 2 2 ASN H H 2 6.923 6.923 7.739 -0.816 17603 2806 1 4 . 1 1 3 3 ILE N N 3 116.880 116.880 119.952 -3.072 17603 2807 1 4 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.879 0.198 17603 2808 1 4 . 1 1 3 3 ILE C C 3 174.099 174.099 176.434 -2.335 17603 2809 1 4 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.991 -1.360 17603 2810 1 4 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.927 0.265 17603 2811 1 4 . 1 1 3 3 ILE H H 3 8.815 8.815 8.495 0.320 17603 2812 1 4 . 1 1 4 4 PHE N N 4 121.992 121.992 118.808 3.184 17603 2813 1 4 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.192 -0.163 17603 2814 1 4 . 1 1 4 4 PHE C C 4 177.093 177.093 178.079 -0.986 17603 2815 1 4 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.297 -1.288 17603 2816 1 4 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.396 -0.236 17603 2817 1 4 . 1 1 4 4 PHE H H 4 7.336 7.336 8.036 -0.700 17603 2818 1 4 . 1 1 5 5 GLU N N 5 118.284 118.284 119.568 -1.284 17603 2819 1 4 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.910 -0.129 17603 2820 1 4 . 1 1 5 5 GLU C C 5 178.340 178.340 179.042 -0.702 17603 2821 1 4 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.170 -0.521 17603 2822 1 4 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.408 0.948 17603 2823 1 4 . 1 1 5 5 GLU H H 5 7.892 7.892 8.600 -0.708 17603 2824 1 4 . 1 1 6 6 MET N N 6 118.546 118.546 120.937 -2.391 17603 2825 1 4 . 1 1 6 6 MET HA H 6 3.314 3.314 3.792 -0.478 17603 2826 1 4 . 1 1 6 6 MET C C 6 177.078 177.078 178.055 -0.977 17603 2827 1 4 . 1 1 6 6 MET CA C 6 58.988 58.988 59.261 -0.273 17603 2828 1 4 . 1 1 6 6 MET CB C 6 34.498 34.498 32.592 1.907 17603 2829 1 4 . 1 1 6 6 MET H H 6 7.946 7.946 8.395 -0.449 17603 2830 1 4 . 1 1 7 7 LEU N N 7 116.516 116.516 118.380 -1.864 17603 2831 1 4 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.932 0.036 17603 2832 1 4 . 1 1 7 7 LEU C C 7 178.579 178.579 178.708 -0.129 17603 2833 1 4 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.485 0.120 17603 2834 1 4 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.368 0.526 17603 2835 1 4 . 1 1 7 7 LEU H H 7 7.969 7.969 8.237 -0.268 17603 2836 1 4 . 1 1 8 8 ARG N N 8 120.793 120.793 120.113 0.680 17603 2837 1 4 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.847 -0.288 17603 2838 1 4 . 1 1 8 8 ARG C C 8 180.018 180.018 178.764 1.254 17603 2839 1 4 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.330 1.916 17603 2840 1 4 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.244 0.274 17603 2841 1 4 . 1 1 8 8 ARG H H 8 8.161 8.161 8.131 0.030 17603 2842 1 4 . 1 1 9 9 ILE N N 9 120.805 120.805 118.638 2.167 17603 2843 1 4 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.785 -0.212 17603 2844 1 4 . 1 1 9 9 ILE C C 9 177.878 177.878 177.405 0.473 17603 2845 1 4 . 1 1 9 9 ILE CA C 9 65.276 65.276 65.112 0.164 17603 2846 1 4 . 1 1 9 9 ILE CB C 9 38.273 38.273 37.922 0.351 17603 2847 1 4 . 1 1 9 9 ILE H H 9 7.628 7.628 7.957 -0.329 17603 2848 1 4 . 1 1 10 10 ASP N N 10 118.172 118.172 118.097 0.075 17603 2849 1 4 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.657 -0.251 17603 2850 1 4 . 1 1 10 10 ASP C C 10 178.041 178.041 178.249 -0.208 17603 2851 1 4 . 1 1 10 10 ASP CA C 10 58.294 58.294 57.038 1.256 17603 2852 1 4 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.182 0.689 17603 2853 1 4 . 1 1 10 10 ASP H H 10 7.999 7.999 7.954 0.045 17603 2854 1 4 . 1 1 11 11 GLU N N 11 115.562 115.562 115.832 -0.270 17603 2855 1 4 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.563 0.078 17603 2856 1 4 . 1 1 11 11 GLU C C 11 178.197 178.197 177.495 0.702 17603 2857 1 4 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.158 -0.054 17603 2858 1 4 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.300 -0.205 17603 2859 1 4 . 1 1 11 11 GLU H H 11 8.855 8.855 8.291 0.564 17603 2860 1 4 . 1 1 12 12 GLY N N 12 109.971 109.971 108.606 1.365 17603 2861 1 4 . 1 1 12 12 GLY C C 12 170.049 170.049 171.887 -1.838 17603 2862 1 4 . 1 1 12 12 GLY CA C 12 44.694 44.694 45.000 -0.306 17603 2863 1 4 . 1 1 12 12 GLY H H 12 7.550 7.550 7.949 -0.399 17603 2864 1 4 . 1 1 13 13 LEU N N 13 117.547 117.547 121.460 -3.913 17603 2865 1 4 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.032 -0.574 17603 2866 1 4 . 1 1 13 13 LEU C C 13 175.566 175.566 175.116 0.450 17603 2867 1 4 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.519 0.053 17603 2868 1 4 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.629 -0.762 17603 2869 1 4 . 1 1 13 13 LEU H H 13 7.755 7.755 8.211 -0.456 17603 2870 1 4 . 1 1 14 14 ARG N N 14 126.722 126.722 125.082 1.640 17603 2871 1 4 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.655 0.030 17603 2872 1 4 . 1 1 14 14 ARG C C 14 175.979 175.979 175.903 0.076 17603 2873 1 4 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.879 -0.616 17603 2874 1 4 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.433 0.385 17603 2875 1 4 . 1 1 14 14 ARG H H 14 8.214 8.214 8.227 -0.013 17603 2876 1 4 . 1 1 15 15 LEU N N 15 123.112 123.112 121.326 1.786 17603 2877 1 4 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.384 -0.039 17603 2878 1 4 . 1 1 15 15 LEU C C 15 173.808 173.808 176.046 -2.238 17603 2879 1 4 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.070 -0.297 17603 2880 1 4 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.306 -2.534 17603 2881 1 4 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 2882 1 4 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 2883 1 4 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.259 0.097 17603 2884 1 4 . 1 1 16 16 LYS C C 16 176.072 176.072 176.753 -0.681 17603 2885 1 4 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.202 -0.329 17603 2886 1 4 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.228 0.733 17603 2887 1 4 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 2888 1 4 . 1 1 17 17 ILE N N 17 120.916 120.916 126.324 -5.408 17603 2889 1 4 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.294 -0.186 17603 2890 1 4 . 1 1 17 17 ILE C C 17 174.826 174.826 176.492 -1.666 17603 2891 1 4 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.468 0.478 17603 2892 1 4 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.378 1.104 17603 2893 1 4 . 1 1 17 17 ILE H H 17 7.555 7.555 8.258 -0.703 17603 2894 1 4 . 1 1 18 18 TYR N N 18 128.021 128.021 125.984 2.037 17603 2895 1 4 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.118 -0.042 17603 2896 1 4 . 1 1 18 18 TYR C C 18 172.698 172.698 173.529 -0.831 17603 2897 1 4 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.296 0.310 17603 2898 1 4 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.912 0.602 17603 2899 1 4 . 1 1 18 18 TYR H H 18 9.340 9.340 9.095 0.245 17603 2900 1 4 . 1 1 19 19 LYS N N 19 122.578 122.578 120.916 1.662 17603 2901 1 4 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.557 -0.024 17603 2902 1 4 . 1 1 19 19 LYS C C 19 175.823 175.823 176.227 -0.404 17603 2903 1 4 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.009 0.097 17603 2904 1 4 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.874 0.346 17603 2905 1 4 . 1 1 19 19 LYS H H 19 8.260 8.260 8.416 -0.156 17603 2906 1 4 . 1 1 20 20 ASP N N 20 125.695 125.695 124.457 1.238 17603 2907 1 4 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.758 -0.167 17603 2908 1 4 . 1 1 20 20 ASP C C 20 178.065 178.065 178.327 -0.262 17603 2909 1 4 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.187 -0.403 17603 2910 1 4 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.644 -0.724 17603 2911 1 4 . 1 1 20 20 ASP H H 20 8.517 8.517 8.844 -0.327 17603 2912 1 4 . 1 1 21 21 THR N N 21 110.206 110.206 109.689 0.517 17603 2913 1 4 . 1 1 21 21 THR HA H 21 3.982 3.982 4.054 -0.072 17603 2914 1 4 . 1 1 21 21 THR C C 21 175.854 175.854 175.632 0.222 17603 2915 1 4 . 1 1 21 21 THR CA C 21 65.025 65.025 64.804 0.221 17603 2916 1 4 . 1 1 21 21 THR CB C 21 68.796 68.796 68.817 -0.021 17603 2917 1 4 . 1 1 21 21 THR H H 21 7.953 7.953 8.614 -0.661 17603 2918 1 4 . 1 1 22 22 GLU N N 22 120.359 120.359 119.843 0.516 17603 2919 1 4 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.259 -0.086 17603 2920 1 4 . 1 1 22 22 GLU C C 22 175.597 175.597 176.549 -0.952 17603 2921 1 4 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.573 0.725 17603 2922 1 4 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.338 1.015 17603 2923 1 4 . 1 1 22 22 GLU H H 22 8.013 8.013 8.083 -0.070 17603 2924 1 4 . 1 1 23 23 GLY N N 23 106.729 106.729 106.845 -0.116 17603 2925 1 4 . 1 1 23 23 GLY C C 23 173.526 173.526 173.925 -0.399 17603 2926 1 4 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.118 -0.152 17603 2927 1 4 . 1 1 23 23 GLY H H 23 7.841 7.841 7.869 -0.028 17603 2928 1 4 . 1 1 24 24 TYR N N 24 120.577 120.577 119.502 1.075 17603 2929 1 4 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.518 0.357 17603 2930 1 4 . 1 1 24 24 TYR C C 24 177.535 177.535 175.793 1.742 17603 2931 1 4 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.474 -1.230 17603 2932 1 4 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.082 -0.781 17603 2933 1 4 . 1 1 24 24 TYR H H 24 8.116 8.116 8.073 0.043 17603 2934 1 4 . 1 1 25 25 TYR N N 25 122.385 122.385 123.187 -0.802 17603 2935 1 4 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.894 0.041 17603 2936 1 4 . 1 1 25 25 TYR C C 25 175.310 175.310 176.211 -0.901 17603 2937 1 4 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.015 -0.221 17603 2938 1 4 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.883 2.010 17603 2939 1 4 . 1 1 25 25 TYR H H 25 8.679 8.679 8.886 -0.207 17603 2940 1 4 . 1 1 26 26 THR N N 26 120.628 120.628 118.043 2.585 17603 2941 1 4 . 1 1 26 26 THR HA H 26 5.179 5.179 5.065 0.114 17603 2942 1 4 . 1 1 26 26 THR C C 26 180.259 180.259 172.616 7.643 17603 2943 1 4 . 1 1 26 26 THR CA C 26 61.015 61.015 61.284 -0.269 17603 2944 1 4 . 1 1 26 26 THR CB C 26 72.424 72.424 72.395 0.029 17603 2945 1 4 . 1 1 26 26 THR H H 26 9.362 9.362 9.072 0.290 17603 2946 1 4 . 1 1 27 27 ILE N N 27 120.468 120.468 120.680 -0.212 17603 2947 1 4 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.519 0.027 17603 2948 1 4 . 1 1 27 27 ILE C C 27 172.440 172.440 174.639 -2.199 17603 2949 1 4 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.803 0.704 17603 2950 1 4 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.033 1.150 17603 2951 1 4 . 1 1 27 27 ILE H H 27 8.814 8.814 8.537 0.277 17603 2952 1 4 . 1 1 28 28 GLY N N 28 112.172 112.172 112.806 -0.634 17603 2953 1 4 . 1 1 28 28 GLY C C 28 174.772 174.772 174.195 0.577 17603 2954 1 4 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.072 -0.075 17603 2955 1 4 . 1 1 28 28 GLY H H 28 8.553 8.553 8.800 -0.247 17603 2956 1 4 . 1 1 29 29 ILE N N 29 133.320 133.320 125.112 8.208 17603 2957 1 4 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.411 0.415 17603 2958 1 4 . 1 1 29 29 ILE C C 29 176.677 176.677 176.619 0.058 17603 2959 1 4 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.768 -1.556 17603 2960 1 4 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.702 -0.841 17603 2961 1 4 . 1 1 29 29 ILE H H 29 10.142 10.142 8.644 1.498 17603 2962 1 4 . 1 1 30 30 GLY N N 30 108.192 108.192 112.439 -4.247 17603 2963 1 4 . 1 1 30 30 GLY C C 30 173.131 173.131 174.226 -1.095 17603 2964 1 4 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.076 1.115 17603 2965 1 4 . 1 1 30 30 GLY H H 30 8.121 8.121 8.393 -0.272 17603 2966 1 4 . 1 1 31 31 HIS N N 31 115.740 115.740 120.095 -4.355 17603 2967 1 4 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.616 -0.315 17603 2968 1 4 . 1 1 31 31 HIS C C 31 173.495 173.495 174.585 -1.090 17603 2969 1 4 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.955 1.720 17603 2970 1 4 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.781 -2.210 17603 2971 1 4 . 1 1 31 31 HIS H H 31 8.266 8.266 8.411 -0.145 17603 2972 1 4 . 1 1 32 32 LEU N N 32 132.140 132.140 128.583 3.557 17603 2973 1 4 . 1 1 32 32 LEU HA H 32 4.089 4.089 4.006 0.083 17603 2974 1 4 . 1 1 32 32 LEU C C 32 176.486 176.486 175.718 0.768 17603 2975 1 4 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.448 0.392 17603 2976 1 4 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.170 -0.236 17603 2977 1 4 . 1 1 32 32 LEU H H 32 7.873 7.873 8.654 -0.781 17603 2978 1 4 . 1 1 33 33 LEU N N 33 125.594 125.594 126.386 -0.792 17603 2979 1 4 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.383 0.053 17603 2980 1 4 . 1 1 33 33 LEU C C 33 176.139 176.139 177.136 -0.997 17603 2981 1 4 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.940 -0.258 17603 2982 1 4 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.131 0.318 17603 2983 1 4 . 1 1 33 33 LEU H H 33 9.060 9.060 8.789 0.271 17603 2984 1 4 . 1 1 34 34 THR N N 34 109.512 109.512 109.030 0.482 17603 2985 1 4 . 1 1 34 34 THR HA H 34 4.485 4.485 4.396 0.089 17603 2986 1 4 . 1 1 34 34 THR C C 34 171.666 171.666 172.312 -0.646 17603 2987 1 4 . 1 1 34 34 THR CA C 34 60.278 60.278 61.365 -1.087 17603 2988 1 4 . 1 1 34 34 THR CB C 34 67.479 67.479 71.440 -3.961 17603 2989 1 4 . 1 1 34 34 THR H H 34 7.266 7.266 7.387 -0.121 17603 2990 1 4 . 1 1 35 35 LYS N N 35 125.041 125.041 122.590 2.451 17603 2991 1 4 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.047 0.247 17603 2992 1 4 . 1 1 35 35 LYS C C 35 176.714 176.714 176.770 -0.056 17603 2993 1 4 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.926 0.429 17603 2994 1 4 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.299 0.087 17603 2995 1 4 . 1 1 35 35 LYS H H 35 8.556 8.556 8.285 0.271 17603 2996 1 4 . 1 1 36 36 SER N N 36 119.417 119.417 117.712 1.705 17603 2997 1 4 . 1 1 36 36 SER CA C 36 57.016 57.016 56.334 0.682 17603 2998 1 4 . 1 1 36 36 SER CB C 36 64.053 64.053 63.776 0.277 17603 2999 1 4 . 1 1 36 36 SER H H 36 8.671 8.671 7.825 0.846 17603 3000 1 4 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.583 0.251 17603 3001 1 4 . 1 1 37 37 PRO C C 37 177.182 177.182 176.800 0.382 17603 3002 1 4 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.431 0.286 17603 3003 1 4 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.943 -1.291 17603 3004 1 4 . 1 1 38 38 SER N N 38 116.310 116.310 116.078 0.232 17603 3005 1 4 . 1 1 38 38 SER HA H 38 4.703 4.703 4.571 0.132 17603 3006 1 4 . 1 1 38 38 SER C C 38 174.405 174.405 175.321 -0.916 17603 3007 1 4 . 1 1 38 38 SER CA C 38 56.494 56.494 56.691 -0.197 17603 3008 1 4 . 1 1 38 38 SER CB C 38 63.608 63.608 63.592 0.016 17603 3009 1 4 . 1 1 38 38 SER H H 38 8.189 8.189 7.741 0.448 17603 3010 1 4 . 1 1 39 39 LEU N N 39 132.784 132.784 130.483 2.301 17603 3011 1 4 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.352 0.003 17603 3012 1 4 . 1 1 39 39 LEU C C 39 178.441 178.441 177.569 0.872 17603 3013 1 4 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.144 0.114 17603 3014 1 4 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.849 -0.364 17603 3015 1 4 . 1 1 39 39 LEU H H 39 8.916 8.916 8.793 0.123 17603 3016 1 4 . 1 1 40 40 ASN N N 40 116.840 116.840 117.517 -0.677 17603 3017 1 4 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.342 -0.079 17603 3018 1 4 . 1 1 40 40 ASN C C 40 178.226 178.226 177.437 0.789 17603 3019 1 4 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.978 0.360 17603 3020 1 4 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.632 0.091 17603 3021 1 4 . 1 1 40 40 ASN H H 40 8.255 8.255 8.221 0.034 17603 3022 1 4 . 1 1 41 41 ALA N N 41 123.964 123.964 122.978 0.986 17603 3023 1 4 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.998 0.196 17603 3024 1 4 . 1 1 41 41 ALA C C 41 179.835 179.835 178.896 0.939 17603 3025 1 4 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.931 -0.063 17603 3026 1 4 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.356 -0.484 17603 3027 1 4 . 1 1 41 41 ALA H H 41 7.710 7.710 7.598 0.112 17603 3028 1 4 . 1 1 42 42 ALA N N 42 121.099 121.099 121.300 -0.201 17603 3029 1 4 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.879 -0.129 17603 3030 1 4 . 1 1 42 42 ALA C C 42 178.838 178.838 179.456 -0.618 17603 3031 1 4 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.108 0.425 17603 3032 1 4 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.087 0.489 17603 3033 1 4 . 1 1 42 42 ALA H H 42 7.571 7.571 7.860 -0.289 17603 3034 1 4 . 1 1 43 43 LYS N N 43 117.308 117.308 118.143 -0.835 17603 3035 1 4 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.895 -0.241 17603 3036 1 4 . 1 1 43 43 LYS C C 43 177.511 177.511 178.922 -1.411 17603 3037 1 4 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.716 0.943 17603 3038 1 4 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.140 0.287 17603 3039 1 4 . 1 1 43 43 LYS H H 43 8.377 8.377 8.253 0.124 17603 3040 1 4 . 1 1 44 44 SER N N 44 114.066 114.066 115.253 -1.187 17603 3041 1 4 . 1 1 44 44 SER HA H 44 4.256 4.256 4.167 0.089 17603 3042 1 4 . 1 1 44 44 SER C C 44 177.894 177.894 176.609 1.285 17603 3043 1 4 . 1 1 44 44 SER CA C 44 61.764 61.764 61.395 0.369 17603 3044 1 4 . 1 1 44 44 SER CB C 44 62.722 62.722 62.554 0.168 17603 3045 1 4 . 1 1 44 44 SER H H 44 7.895 7.895 8.148 -0.253 17603 3046 1 4 . 1 1 45 45 GLU N N 45 120.349 120.349 121.232 -0.883 17603 3047 1 4 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.045 0.062 17603 3048 1 4 . 1 1 45 45 GLU C C 45 179.336 179.336 179.152 0.184 17603 3049 1 4 . 1 1 45 45 GLU CA C 45 58.426 58.426 59.001 -0.575 17603 3050 1 4 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.332 0.016 17603 3051 1 4 . 1 1 45 45 GLU H H 45 7.988 7.988 7.884 0.104 17603 3052 1 4 . 1 1 46 46 LEU N N 46 122.887 122.887 122.366 0.521 17603 3053 1 4 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.063 -0.125 17603 3054 1 4 . 1 1 46 46 LEU C C 46 177.291 177.291 178.306 -1.015 17603 3055 1 4 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.169 -0.520 17603 3056 1 4 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.663 -0.047 17603 3057 1 4 . 1 1 46 46 LEU H H 46 8.286 8.286 8.318 -0.032 17603 3058 1 4 . 1 1 47 47 ASP N N 47 120.418 120.418 119.879 0.539 17603 3059 1 4 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.488 0.272 17603 3060 1 4 . 1 1 47 47 ASP C C 47 180.926 180.926 179.127 1.799 17603 3061 1 4 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.418 -0.100 17603 3062 1 4 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.252 -0.223 17603 3063 1 4 . 1 1 47 47 ASP H H 47 8.553 8.553 8.426 0.127 17603 3064 1 4 . 1 1 48 48 LYS N N 48 120.743 120.743 120.007 0.736 17603 3065 1 4 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.063 -0.060 17603 3066 1 4 . 1 1 48 48 LYS C C 48 178.198 178.198 178.306 -0.108 17603 3067 1 4 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.870 0.311 17603 3068 1 4 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.593 0.111 17603 3069 1 4 . 1 1 48 48 LYS H H 48 7.747 7.747 7.932 -0.185 17603 3070 1 4 . 1 1 49 49 ALA N N 49 121.258 121.258 121.930 -0.672 17603 3071 1 4 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.220 -0.064 17603 3072 1 4 . 1 1 49 49 ALA C C 49 179.386 179.386 179.197 0.189 17603 3073 1 4 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.553 -0.081 17603 3074 1 4 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.972 -0.738 17603 3075 1 4 . 1 1 49 49 ALA H H 49 7.925 7.925 7.966 -0.041 17603 3076 1 4 . 1 1 50 50 ILE N N 50 114.806 114.806 115.945 -1.139 17603 3077 1 4 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.047 0.031 17603 3078 1 4 . 1 1 50 50 ILE C C 50 177.205 177.205 177.208 -0.003 17603 3079 1 4 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.043 -1.941 17603 3080 1 4 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.420 -1.126 17603 3081 1 4 . 1 1 50 50 ILE H H 50 8.323 8.323 7.710 0.613 17603 3082 1 4 . 1 1 51 51 GLY N N 51 109.238 109.238 109.790 -0.552 17603 3083 1 4 . 1 1 51 51 GLY C C 51 173.771 173.771 173.777 -0.006 17603 3084 1 4 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.155 0.767 17603 3085 1 4 . 1 1 51 51 GLY H H 51 8.340 8.340 8.379 -0.039 17603 3086 1 4 . 1 1 52 52 ARG N N 52 115.526 115.526 116.556 -1.030 17603 3087 1 4 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.522 0.035 17603 3088 1 4 . 1 1 52 52 ARG C C 52 172.391 172.391 173.393 -1.002 17603 3089 1 4 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.814 0.266 17603 3090 1 4 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.306 -0.099 17603 3091 1 4 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17603 3092 1 4 . 1 1 53 53 ASN N N 53 115.684 115.684 120.463 -4.779 17603 3093 1 4 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.947 -0.251 17603 3094 1 4 . 1 1 53 53 ASN C C 53 175.491 175.491 174.999 0.492 17603 3095 1 4 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.828 0.323 17603 3096 1 4 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.706 -1.029 17603 3097 1 4 . 1 1 53 53 ASN H H 53 8.241 8.241 8.687 -0.446 17603 3098 1 4 . 1 1 54 54 THR N N 54 119.609 119.609 118.057 1.552 17603 3099 1 4 . 1 1 54 54 THR HA H 54 4.300 4.300 4.496 -0.196 17603 3100 1 4 . 1 1 54 54 THR C C 54 177.264 177.264 174.679 2.585 17603 3101 1 4 . 1 1 54 54 THR CA C 54 63.701 63.701 60.883 2.818 17603 3102 1 4 . 1 1 54 54 THR CB C 54 70.615 70.615 70.648 -0.033 17603 3103 1 4 . 1 1 54 54 THR H H 54 9.034 9.034 8.773 0.261 17603 3104 1 4 . 1 1 55 55 ASN N N 55 120.027 120.027 118.457 1.570 17603 3105 1 4 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.693 -0.309 17603 3106 1 4 . 1 1 55 55 ASN C C 55 175.774 175.774 175.681 0.093 17603 3107 1 4 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.041 2.385 17603 3108 1 4 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.724 -0.079 17603 3109 1 4 . 1 1 55 55 ASN H H 55 9.426 9.426 8.340 1.086 17603 3110 1 4 . 1 1 56 56 GLY N N 56 103.056 103.056 108.298 -5.242 17603 3111 1 4 . 1 1 56 56 GLY C C 56 172.072 172.072 172.894 -0.822 17603 3112 1 4 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.171 0.015 17603 3113 1 4 . 1 1 56 56 GLY H H 56 8.662 8.662 7.832 0.830 17603 3114 1 4 . 1 1 57 57 VAL N N 57 119.999 119.999 118.576 1.423 17603 3115 1 4 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.291 -0.162 17603 3116 1 4 . 1 1 57 57 VAL C C 57 174.971 174.971 174.879 0.092 17603 3117 1 4 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.689 1.332 17603 3118 1 4 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.643 0.528 17603 3119 1 4 . 1 1 57 57 VAL H H 57 7.444 7.444 7.422 0.022 17603 3120 1 4 . 1 1 58 58 ILE N N 58 116.746 116.746 121.357 -4.611 17603 3121 1 4 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.093 -0.247 17603 3122 1 4 . 1 1 58 58 ILE C C 58 175.376 175.376 175.211 0.165 17603 3123 1 4 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.912 0.727 17603 3124 1 4 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.923 -0.051 17603 3125 1 4 . 1 1 58 58 ILE H H 58 8.562 8.562 9.074 -0.512 17603 3126 1 4 . 1 1 59 59 THR N N 59 109.208 109.208 112.613 -3.405 17603 3127 1 4 . 1 1 59 59 THR HA H 59 4.632 4.632 4.660 -0.028 17603 3128 1 4 . 1 1 59 59 THR C C 59 176.431 176.431 174.813 1.618 17603 3129 1 4 . 1 1 59 59 THR CA C 59 59.899 59.899 60.185 -0.286 17603 3130 1 4 . 1 1 59 59 THR CB C 59 71.419 71.419 70.298 1.121 17603 3131 1 4 . 1 1 59 59 THR H H 59 8.682 8.682 9.056 -0.374 17603 3132 1 4 . 1 1 60 60 LYS N N 60 121.442 121.442 121.693 -0.251 17603 3133 1 4 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.957 -0.118 17603 3134 1 4 . 1 1 60 60 LYS C C 60 178.238 178.238 178.330 -0.092 17603 3135 1 4 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.463 0.300 17603 3136 1 4 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.265 -0.249 17603 3137 1 4 . 1 1 60 60 LYS H H 60 9.097 9.097 8.818 0.279 17603 3138 1 4 . 1 1 61 61 ASP N N 61 117.513 117.513 118.414 -0.901 17603 3139 1 4 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.408 -0.041 17603 3140 1 4 . 1 1 61 61 ASP C C 61 179.613 179.613 179.025 0.588 17603 3141 1 4 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.522 -0.167 17603 3142 1 4 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.176 0.345 17603 3143 1 4 . 1 1 61 61 ASP H H 61 8.234 8.234 8.531 -0.297 17603 3144 1 4 . 1 1 62 62 GLU N N 62 121.613 121.613 120.194 1.419 17603 3145 1 4 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.066 -0.177 17603 3146 1 4 . 1 1 62 62 GLU C C 62 178.900 178.900 178.825 0.075 17603 3147 1 4 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.112 -0.062 17603 3148 1 4 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.592 -0.109 17603 3149 1 4 . 1 1 62 62 GLU H H 62 7.725 7.725 7.909 -0.184 17603 3150 1 4 . 1 1 63 63 ALA N N 63 121.265 121.265 122.792 -1.527 17603 3151 1 4 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.950 -0.066 17603 3152 1 4 . 1 1 63 63 ALA C C 63 180.712 180.712 179.762 0.950 17603 3153 1 4 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.687 -0.585 17603 3154 1 4 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.397 0.094 17603 3155 1 4 . 1 1 63 63 ALA H H 63 8.500 8.500 8.396 0.104 17603 3156 1 4 . 1 1 64 64 GLU N N 64 120.135 120.135 118.216 1.919 17603 3157 1 4 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.186 -0.092 17603 3158 1 4 . 1 1 64 64 GLU C C 64 177.848 177.848 178.922 -1.074 17603 3159 1 4 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.417 0.340 17603 3160 1 4 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.630 -0.517 17603 3161 1 4 . 1 1 64 64 GLU H H 64 8.412 8.412 8.387 0.025 17603 3162 1 4 . 1 1 65 65 LYS N N 65 122.023 122.023 121.369 0.654 17603 3163 1 4 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.095 0.057 17603 3164 1 4 . 1 1 65 65 LYS C C 65 179.601 179.601 179.009 0.592 17603 3165 1 4 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.642 0.476 17603 3166 1 4 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.415 -0.095 17603 3167 1 4 . 1 1 65 65 LYS H H 65 7.853 7.853 8.006 -0.153 17603 3168 1 4 . 1 1 66 66 LEU N N 66 118.739 118.739 119.322 -0.583 17603 3169 1 4 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.943 -0.010 17603 3170 1 4 . 1 1 66 66 LEU C C 66 177.920 177.920 179.109 -1.189 17603 3171 1 4 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.916 -0.414 17603 3172 1 4 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.599 0.781 17603 3173 1 4 . 1 1 66 66 LEU H H 66 7.822 7.822 8.101 -0.279 17603 3174 1 4 . 1 1 67 67 PHE N N 67 119.050 119.050 120.245 -1.195 17603 3175 1 4 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.273 0.922 17603 3176 1 4 . 1 1 67 67 PHE C C 67 177.421 177.421 177.539 -0.118 17603 3177 1 4 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.831 -0.898 17603 3178 1 4 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.925 1.050 17603 3179 1 4 . 1 1 67 67 PHE H H 67 8.075 8.075 8.464 -0.389 17603 3180 1 4 . 1 1 68 68 ASN N N 68 118.041 118.041 117.402 0.639 17603 3181 1 4 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.370 -0.121 17603 3182 1 4 . 1 1 68 68 ASN C C 68 178.777 178.777 177.573 1.204 17603 3183 1 4 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.539 0.519 17603 3184 1 4 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.597 -0.106 17603 3185 1 4 . 1 1 68 68 ASN H H 68 8.505 8.505 8.569 -0.064 17603 3186 1 4 . 1 1 69 69 GLN N N 69 118.812 118.812 119.190 -0.378 17603 3187 1 4 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.997 0.182 17603 3188 1 4 . 1 1 69 69 GLN C C 69 178.938 178.938 178.456 0.482 17603 3189 1 4 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.160 -0.271 17603 3190 1 4 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.713 -0.161 17603 3191 1 4 . 1 1 69 69 GLN H H 69 7.763 7.763 8.093 -0.330 17603 3192 1 4 . 1 1 70 70 ASP N N 70 123.281 123.281 120.952 2.329 17603 3193 1 4 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.470 0.029 17603 3194 1 4 . 1 1 70 70 ASP C C 70 180.101 180.101 178.994 1.107 17603 3195 1 4 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.393 -0.351 17603 3196 1 4 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.622 -0.182 17603 3197 1 4 . 1 1 70 70 ASP H H 70 8.757 8.757 8.476 0.281 17603 3198 1 4 . 1 1 71 71 VAL N N 71 125.532 125.532 120.702 4.830 17603 3199 1 4 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.445 0.151 17603 3200 1 4 . 1 1 71 71 VAL C C 71 177.160 177.160 177.548 -0.388 17603 3201 1 4 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.753 1.256 17603 3202 1 4 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.213 0.370 17603 3203 1 4 . 1 1 71 71 VAL H H 71 9.015 9.015 8.337 0.678 17603 3204 1 4 . 1 1 72 72 ASP N N 72 119.221 119.221 119.978 -0.757 17603 3205 1 4 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.242 0.120 17603 3206 1 4 . 1 1 72 72 ASP C C 72 178.561 178.561 178.180 0.381 17603 3207 1 4 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.304 0.019 17603 3208 1 4 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.085 0.998 17603 3209 1 4 . 1 1 72 72 ASP H H 72 7.599 7.599 8.140 -0.541 17603 3210 1 4 . 1 1 73 73 ALA N N 73 120.038 120.038 121.703 -1.665 17603 3211 1 4 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.029 -0.030 17603 3212 1 4 . 1 1 73 73 ALA C C 73 180.491 180.491 179.552 0.939 17603 3213 1 4 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.056 0.030 17603 3214 1 4 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.204 0.318 17603 3215 1 4 . 1 1 73 73 ALA H H 73 8.276 8.276 8.252 0.024 17603 3216 1 4 . 1 1 74 74 ALA N N 74 123.435 123.435 121.812 1.623 17603 3217 1 4 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.961 0.202 17603 3218 1 4 . 1 1 74 74 ALA C C 74 178.997 178.997 179.513 -0.516 17603 3219 1 4 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.895 -0.068 17603 3220 1 4 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.436 -0.006 17603 3221 1 4 . 1 1 74 74 ALA H H 74 7.925 7.925 7.710 0.215 17603 3222 1 4 . 1 1 75 75 VAL N N 75 118.091 118.091 119.055 -0.964 17603 3223 1 4 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.262 -0.031 17603 3224 1 4 . 1 1 75 75 VAL C C 75 178.108 178.108 177.967 0.141 17603 3225 1 4 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.942 0.100 17603 3226 1 4 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.482 0.356 17603 3227 1 4 . 1 1 75 75 VAL H H 75 8.141 8.141 7.884 0.257 17603 3228 1 4 . 1 1 76 76 ARG N N 76 117.779 117.779 119.359 -1.580 17603 3229 1 4 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.891 -0.090 17603 3230 1 4 . 1 1 76 76 ARG C C 76 178.816 178.816 178.913 -0.097 17603 3231 1 4 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.965 -0.054 17603 3232 1 4 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.820 0.406 17603 3233 1 4 . 1 1 76 76 ARG H H 76 8.358 8.358 8.661 -0.303 17603 3234 1 4 . 1 1 77 77 GLY N N 77 105.669 105.669 107.254 -1.585 17603 3235 1 4 . 1 1 77 77 GLY C C 77 176.097 176.097 175.778 0.319 17603 3236 1 4 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.722 -0.048 17603 3237 1 4 . 1 1 77 77 GLY H H 77 7.999 7.999 8.115 -0.116 17603 3238 1 4 . 1 1 78 78 ILE N N 78 122.001 122.001 122.046 -0.045 17603 3239 1 4 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.692 -0.049 17603 3240 1 4 . 1 1 78 78 ILE C C 78 177.194 177.194 178.269 -1.075 17603 3241 1 4 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.719 0.503 17603 3242 1 4 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.877 0.085 17603 3243 1 4 . 1 1 78 78 ILE H H 78 7.579 7.579 7.739 -0.160 17603 3244 1 4 . 1 1 79 79 LEU N N 79 115.459 115.459 117.797 -2.338 17603 3245 1 4 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.020 -0.260 17603 3246 1 4 . 1 1 79 79 LEU C C 79 178.673 178.673 178.115 0.558 17603 3247 1 4 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.949 0.268 17603 3248 1 4 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.623 -0.179 17603 3249 1 4 . 1 1 79 79 LEU H H 79 7.929 7.929 8.034 -0.105 17603 3250 1 4 . 1 1 80 80 ARG N N 80 114.830 114.830 114.609 0.221 17603 3251 1 4 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.313 -0.057 17603 3252 1 4 . 1 1 80 80 ARG C C 80 175.076 175.076 175.791 -0.715 17603 3253 1 4 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.147 -0.117 17603 3254 1 4 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.604 -0.229 17603 3255 1 4 . 1 1 80 80 ARG H H 80 7.680 7.680 7.643 0.037 17603 3256 1 4 . 1 1 81 81 ASN N N 81 120.935 120.935 118.733 2.202 17603 3257 1 4 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.796 -0.037 17603 3258 1 4 . 1 1 81 81 ASN C C 81 174.612 174.612 175.220 -0.608 17603 3259 1 4 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.293 0.221 17603 3260 1 4 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.304 -0.506 17603 3261 1 4 . 1 1 81 81 ASN H H 81 7.516 7.516 7.507 0.009 17603 3262 1 4 . 1 1 82 82 ALA N N 82 128.007 128.007 129.607 -1.600 17603 3263 1 4 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.169 -0.097 17603 3264 1 4 . 1 1 82 82 ALA C C 82 178.837 178.837 178.567 0.270 17603 3265 1 4 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.559 0.326 17603 3266 1 4 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.832 0.145 17603 3267 1 4 . 1 1 82 82 ALA H H 82 8.784 8.784 8.973 -0.189 17603 3268 1 4 . 1 1 83 83 LYS N N 83 114.232 114.232 117.383 -3.151 17603 3269 1 4 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.236 -0.005 17603 3270 1 4 . 1 1 83 83 LYS C C 83 177.362 177.362 178.638 -1.276 17603 3271 1 4 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.553 -0.988 17603 3272 1 4 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.975 -0.172 17603 3273 1 4 . 1 1 83 83 LYS H H 83 8.075 8.075 8.213 -0.138 17603 3274 1 4 . 1 1 84 84 LEU N N 84 115.899 115.899 120.330 -4.431 17603 3275 1 4 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.187 -0.008 17603 3276 1 4 . 1 1 84 84 LEU C C 84 178.322 178.322 178.258 0.064 17603 3277 1 4 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.236 -0.605 17603 3278 1 4 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.100 0.833 17603 3279 1 4 . 1 1 84 84 LEU H H 84 7.422 7.422 8.453 -1.031 17603 3280 1 4 . 1 1 85 85 LYS N N 85 120.723 120.723 120.625 0.098 17603 3281 1 4 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.012 0.524 17603 3282 1 4 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.493 -0.530 17603 3283 1 4 . 1 1 85 85 LYS H H 85 8.407 8.407 8.398 0.009 17603 3284 1 4 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.324 0.137 17603 3285 1 4 . 1 1 86 86 PRO C C 86 180.075 180.075 179.205 0.870 17603 3286 1 4 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.819 0.025 17603 3287 1 4 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.130 -0.323 17603 3288 1 4 . 1 1 87 87 VAL N N 87 116.002 116.002 118.709 -2.707 17603 3289 1 4 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.761 0.029 17603 3290 1 4 . 1 1 87 87 VAL C C 87 178.477 178.477 178.287 0.190 17603 3291 1 4 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.309 -0.876 17603 3292 1 4 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.780 -0.284 17603 3293 1 4 . 1 1 87 87 VAL H H 87 6.903 6.903 7.284 -0.381 17603 3294 1 4 . 1 1 88 88 TYR N N 88 123.146 123.146 121.282 1.864 17603 3295 1 4 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.129 -0.192 17603 3296 1 4 . 1 1 88 88 TYR C C 88 177.346 177.346 178.180 -0.834 17603 3297 1 4 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.983 1.029 17603 3298 1 4 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.408 1.287 17603 3299 1 4 . 1 1 88 88 TYR H H 88 8.454 8.454 8.707 -0.253 17603 3300 1 4 . 1 1 89 89 ASP N N 89 117.059 117.059 117.628 -0.569 17603 3301 1 4 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.358 -0.050 17603 3302 1 4 . 1 1 89 89 ASP C C 89 178.136 178.136 178.452 -0.316 17603 3303 1 4 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.284 -0.659 17603 3304 1 4 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.150 0.436 17603 3305 1 4 . 1 1 89 89 ASP H H 89 9.057 9.057 8.925 0.132 17603 3306 1 4 . 1 1 90 90 SER N N 90 113.398 113.398 114.101 -0.703 17603 3307 1 4 . 1 1 90 90 SER HA H 90 4.435 4.435 4.336 0.099 17603 3308 1 4 . 1 1 90 90 SER C C 90 174.464 174.464 175.019 -0.555 17603 3309 1 4 . 1 1 90 90 SER CA C 90 59.549 59.549 59.562 -0.013 17603 3310 1 4 . 1 1 90 90 SER CB C 90 64.598 64.598 63.443 1.155 17603 3311 1 4 . 1 1 90 90 SER H H 90 7.385 7.385 7.642 -0.257 17603 3312 1 4 . 1 1 91 91 LEU N N 91 123.580 123.580 123.686 -0.106 17603 3313 1 4 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.507 -0.094 17603 3314 1 4 . 1 1 91 91 LEU C C 91 176.375 176.375 176.789 -0.414 17603 3315 1 4 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.002 1.067 17603 3316 1 4 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.135 -0.325 17603 3317 1 4 . 1 1 91 91 LEU H H 91 7.477 7.477 7.353 0.124 17603 3318 1 4 . 1 1 92 92 ASP N N 92 116.218 116.218 122.038 -5.820 17603 3319 1 4 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.479 0.087 17603 3320 1 4 . 1 1 92 92 ASP C C 92 175.360 175.360 176.712 -1.352 17603 3321 1 4 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.967 -1.380 17603 3322 1 4 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.143 0.697 17603 3323 1 4 . 1 1 92 92 ASP H H 92 7.440 7.440 8.454 -1.014 17603 3324 1 4 . 1 1 93 93 ALA N N 93 119.801 119.801 122.082 -2.281 17603 3325 1 4 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.043 -0.303 17603 3326 1 4 . 1 1 93 93 ALA C C 93 179.894 179.894 179.750 0.144 17603 3327 1 4 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.814 1.415 17603 3328 1 4 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.859 0.450 17603 3329 1 4 . 1 1 93 93 ALA H H 93 8.682 8.682 8.537 0.145 17603 3330 1 4 . 1 1 94 94 VAL N N 94 118.735 118.735 118.184 0.551 17603 3331 1 4 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.232 -0.204 17603 3332 1 4 . 1 1 94 94 VAL C C 94 177.116 177.116 177.855 -0.739 17603 3333 1 4 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.779 -0.061 17603 3334 1 4 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.137 -0.197 17603 3335 1 4 . 1 1 94 94 VAL H H 94 7.580 7.580 7.584 -0.004 17603 3336 1 4 . 1 1 95 95 ARG N N 95 119.108 119.108 118.652 0.456 17603 3337 1 4 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.675 -0.395 17603 3338 1 4 . 1 1 95 95 ARG C C 95 178.366 178.366 178.747 -0.381 17603 3339 1 4 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.412 1.002 17603 3340 1 4 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.982 0.441 17603 3341 1 4 . 1 1 95 95 ARG H H 95 7.729 7.729 8.087 -0.358 17603 3342 1 4 . 1 1 96 96 ARG N N 96 118.307 118.307 119.588 -1.281 17603 3343 1 4 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.984 -0.330 17603 3344 1 4 . 1 1 96 96 ARG C C 96 177.841 177.841 178.401 -0.560 17603 3345 1 4 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.398 1.260 17603 3346 1 4 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.694 0.817 17603 3347 1 4 . 1 1 96 96 ARG H H 96 8.638 8.638 8.397 0.241 17603 3348 1 4 . 1 1 97 97 ALA N N 97 120.196 120.196 121.313 -1.117 17603 3349 1 4 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.008 -0.021 17603 3350 1 4 . 1 1 97 97 ALA C C 97 178.768 178.768 178.944 -0.176 17603 3351 1 4 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.081 0.153 17603 3352 1 4 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.241 0.012 17603 3353 1 4 . 1 1 97 97 ALA H H 97 7.019 7.019 7.450 -0.431 17603 3354 1 4 . 1 1 98 98 ALA N N 98 119.143 119.143 121.093 -1.950 17603 3355 1 4 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.736 -0.164 17603 3356 1 4 . 1 1 98 98 ALA C C 98 177.328 177.328 179.125 -1.797 17603 3357 1 4 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.496 0.941 17603 3358 1 4 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.515 -1.622 17603 3359 1 4 . 1 1 98 98 ALA H H 98 7.097 7.097 7.234 -0.137 17603 3360 1 4 . 1 1 99 99 ALA N N 99 119.971 119.971 121.700 -1.729 17603 3361 1 4 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.150 -0.554 17603 3362 1 4 . 1 1 99 99 ALA C C 99 178.026 178.026 179.654 -1.628 17603 3363 1 4 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.192 0.192 17603 3364 1 4 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.529 -0.112 17603 3365 1 4 . 1 1 99 99 ALA H H 99 7.665 7.665 7.686 -0.021 17603 3366 1 4 . 1 1 100 100 ILE N N 100 116.372 116.372 117.764 -1.392 17603 3367 1 4 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.734 -0.402 17603 3368 1 4 . 1 1 100 100 ILE C C 100 177.103 177.103 177.375 -0.272 17603 3369 1 4 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.172 -0.515 17603 3370 1 4 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.842 -0.831 17603 3371 1 4 . 1 1 100 100 ILE H H 100 8.110 8.110 8.227 -0.117 17603 3372 1 4 . 1 1 101 101 ASN N N 101 116.550 116.550 116.909 -0.359 17603 3373 1 4 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.615 -0.728 17603 3374 1 4 . 1 1 101 101 ASN C C 101 177.350 177.350 177.791 -0.441 17603 3375 1 4 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.232 1.864 17603 3376 1 4 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.935 -0.013 17603 3377 1 4 . 1 1 101 101 ASN H H 101 8.098 8.098 7.887 0.211 17603 3378 1 4 . 1 1 102 102 MET N N 102 114.177 114.177 120.681 -6.504 17603 3379 1 4 . 1 1 102 102 MET HA H 102 3.746 3.746 4.065 -0.319 17603 3380 1 4 . 1 1 102 102 MET C C 102 177.507 177.507 176.563 0.944 17603 3381 1 4 . 1 1 102 102 MET CA C 102 60.473 60.473 57.399 3.074 17603 3382 1 4 . 1 1 102 102 MET CB C 102 33.218 33.218 32.627 0.591 17603 3383 1 4 . 1 1 102 102 MET H H 102 7.647 7.647 7.945 -0.298 17603 3384 1 4 . 1 1 103 103 VAL N N 103 107.836 107.836 110.498 -2.662 17603 3385 1 4 . 1 1 103 103 VAL HA H 103 4.198 4.198 4.162 0.036 17603 3386 1 4 . 1 1 103 103 VAL C C 103 175.893 175.893 175.707 0.186 17603 3387 1 4 . 1 1 103 103 VAL CA C 103 60.939 60.939 60.712 0.227 17603 3388 1 4 . 1 1 103 103 VAL CB C 103 31.098 31.098 31.876 -0.778 17603 3389 1 4 . 1 1 103 103 VAL H H 103 7.332 7.332 7.617 -0.285 17603 3390 1 4 . 1 1 104 104 PHE N N 104 125.985 125.985 123.985 2.000 17603 3391 1 4 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.379 -0.272 17603 3392 1 4 . 1 1 104 104 PHE C C 104 176.884 176.884 174.659 2.225 17603 3393 1 4 . 1 1 104 104 PHE CA C 104 60.915 60.915 58.423 2.492 17603 3394 1 4 . 1 1 104 104 PHE CB C 104 39.768 39.768 37.753 2.015 17603 3395 1 4 . 1 1 104 104 PHE H H 104 7.978 7.978 7.416 0.562 17603 3396 1 4 . 1 1 105 105 GLN N N 105 120.302 120.302 120.156 0.146 17603 3397 1 4 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.744 -0.234 17603 3398 1 4 . 1 1 105 105 GLN C C 105 174.976 174.976 175.134 -0.158 17603 3399 1 4 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.449 1.281 17603 3400 1 4 . 1 1 105 105 GLN CB C 105 27.304 27.304 26.457 0.847 17603 3401 1 4 . 1 1 105 105 GLN H H 105 8.448 8.448 8.497 -0.049 17603 3402 1 4 . 1 1 106 106 MET N N 106 117.189 117.189 118.199 -1.010 17603 3403 1 4 . 1 1 106 106 MET HA H 106 4.184 4.184 3.992 0.192 17603 3404 1 4 . 1 1 106 106 MET C C 106 176.961 176.961 175.825 1.136 17603 3405 1 4 . 1 1 106 106 MET CA C 106 54.873 54.873 56.384 -1.511 17603 3406 1 4 . 1 1 106 106 MET CB C 106 30.057 30.057 32.963 -2.906 17603 3407 1 4 . 1 1 106 106 MET H H 106 8.987 8.987 8.144 0.843 17603 3408 1 4 . 1 1 107 107 GLY N N 107 107.787 107.787 105.624 2.163 17603 3409 1 4 . 1 1 107 107 GLY C C 107 174.999 174.999 174.163 0.836 17603 3410 1 4 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.192 2.027 17603 3411 1 4 . 1 1 107 107 GLY H H 107 7.777 7.777 7.382 0.395 17603 3412 1 4 . 1 1 108 108 GLU N N 108 123.604 123.604 121.133 2.471 17603 3413 1 4 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.003 -0.019 17603 3414 1 4 . 1 1 108 108 GLU C C 108 179.574 179.574 178.335 1.239 17603 3415 1 4 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.562 0.382 17603 3416 1 4 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.714 0.225 17603 3417 1 4 . 1 1 108 108 GLU H H 108 8.779 8.779 8.826 -0.047 17603 3418 1 4 . 1 1 109 109 THR N N 109 111.822 111.822 115.097 -3.275 17603 3419 1 4 . 1 1 109 109 THR HA H 109 4.176 4.176 4.146 0.030 17603 3420 1 4 . 1 1 109 109 THR C C 109 178.459 178.459 176.481 1.978 17603 3421 1 4 . 1 1 109 109 THR CA C 109 65.535 65.535 66.989 -1.454 17603 3422 1 4 . 1 1 109 109 THR CB C 109 67.945 67.945 68.206 -0.261 17603 3423 1 4 . 1 1 109 109 THR H H 109 8.576 8.576 8.332 0.244 17603 3424 1 4 . 1 1 110 110 GLY N N 110 115.113 115.113 109.418 5.695 17603 3425 1 4 . 1 1 110 110 GLY C C 110 175.653 175.653 175.923 -0.270 17603 3426 1 4 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.664 0.553 17603 3427 1 4 . 1 1 110 110 GLY H H 110 8.521 8.521 8.273 0.248 17603 3428 1 4 . 1 1 111 111 VAL N N 111 120.852 120.852 122.698 -1.846 17603 3429 1 4 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.711 -0.190 17603 3430 1 4 . 1 1 111 111 VAL C C 111 179.689 179.689 177.802 1.887 17603 3431 1 4 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.115 0.939 17603 3432 1 4 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.644 0.188 17603 3433 1 4 . 1 1 111 111 VAL H H 111 8.048 8.048 7.853 0.195 17603 3434 1 4 . 1 1 112 112 ALA N N 112 124.525 124.525 122.825 1.700 17603 3435 1 4 . 1 1 112 112 ALA HA H 112 4.142 4.142 3.990 0.152 17603 3436 1 4 . 1 1 112 112 ALA C C 112 179.412 179.412 179.277 0.135 17603 3437 1 4 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.297 0.126 17603 3438 1 4 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.085 0.173 17603 3439 1 4 . 1 1 112 112 ALA H H 112 8.255 8.255 8.351 -0.096 17603 3440 1 4 . 1 1 113 113 ALA N N 113 120.490 120.490 120.893 -0.403 17603 3441 1 4 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.150 0.032 17603 3442 1 4 . 1 1 113 113 ALA C C 113 179.965 179.965 179.359 0.606 17603 3443 1 4 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.734 0.236 17603 3444 1 4 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.472 -0.409 17603 3445 1 4 . 1 1 113 113 ALA H H 113 7.861 7.861 7.695 0.166 17603 3446 1 4 . 1 1 114 114 PHE N N 114 120.157 120.157 118.686 1.471 17603 3447 1 4 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.190 -0.133 17603 3448 1 4 . 1 1 114 114 PHE C C 114 177.765 177.765 178.019 -0.254 17603 3449 1 4 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.441 -0.508 17603 3450 1 4 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.971 0.153 17603 3451 1 4 . 1 1 114 114 PHE H H 114 8.126 8.126 8.206 -0.080 17603 3452 1 4 . 1 1 115 115 THR N N 115 114.478 114.478 116.306 -1.828 17603 3453 1 4 . 1 1 115 115 THR HA H 115 3.470 3.470 3.828 -0.358 17603 3454 1 4 . 1 1 115 115 THR C C 115 176.924 176.924 176.446 0.478 17603 3455 1 4 . 1 1 115 115 THR CA C 115 67.000 67.000 67.181 -0.181 17603 3456 1 4 . 1 1 115 115 THR CB C 115 68.320 68.320 68.356 -0.036 17603 3457 1 4 . 1 1 115 115 THR H H 115 8.504 8.504 8.447 0.057 17603 3458 1 4 . 1 1 116 116 ASN N N 116 119.632 119.632 117.675 1.957 17603 3459 1 4 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.651 -0.151 17603 3460 1 4 . 1 1 116 116 ASN C C 116 176.009 176.009 175.958 0.051 17603 3461 1 4 . 1 1 116 116 ASN CA C 116 57.243 57.243 54.763 2.480 17603 3462 1 4 . 1 1 116 116 ASN CB C 116 38.600 38.600 37.892 0.708 17603 3463 1 4 . 1 1 116 116 ASN H H 116 8.337 8.337 7.718 0.619 17603 3464 1 4 . 1 1 117 117 SER N N 117 112.765 112.765 113.799 -1.034 17603 3465 1 4 . 1 1 117 117 SER HA H 117 4.590 4.590 4.590 0.000 17603 3466 1 4 . 1 1 117 117 SER C C 117 174.808 174.808 174.256 0.552 17603 3467 1 4 . 1 1 117 117 SER CA C 117 59.470 59.470 58.199 1.271 17603 3468 1 4 . 1 1 117 117 SER CB C 117 64.474 64.474 63.921 0.553 17603 3469 1 4 . 1 1 117 117 SER H H 117 7.424 7.424 7.654 -0.230 17603 3470 1 4 . 1 1 118 118 LEU N N 118 122.210 122.210 122.910 -0.700 17603 3471 1 4 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.429 0.221 17603 3472 1 4 . 1 1 118 118 LEU H H 118 7.195 7.195 7.174 0.021 17603 3473 1 4 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.154 0.128 17603 3474 1 4 . 1 1 119 119 PRO C C 119 179.207 179.207 178.622 0.585 17603 3475 1 4 . 1 1 119 119 PRO CA C 119 66.239 66.239 65.962 0.277 17603 3476 1 4 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.355 -0.386 17603 3477 1 4 . 1 1 120 120 MET N N 120 112.465 112.465 115.287 -2.822 17603 3478 1 4 . 1 1 120 120 MET HA H 120 4.005 4.005 4.156 -0.151 17603 3479 1 4 . 1 1 120 120 MET C C 120 178.137 178.137 178.390 -0.253 17603 3480 1 4 . 1 1 120 120 MET CA C 120 58.747 58.747 57.794 0.953 17603 3481 1 4 . 1 1 120 120 MET CB C 120 32.510 32.510 31.396 1.114 17603 3482 1 4 . 1 1 120 120 MET H H 120 7.126 7.126 7.838 -0.712 17603 3483 1 4 . 1 1 121 121 LEU N N 121 118.534 118.534 119.553 -1.019 17603 3484 1 4 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.933 -0.092 17603 3485 1 4 . 1 1 121 121 LEU C C 121 180.140 180.140 179.770 0.370 17603 3486 1 4 . 1 1 121 121 LEU CA C 121 57.379 57.379 57.931 -0.552 17603 3487 1 4 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.235 0.902 17603 3488 1 4 . 1 1 121 121 LEU H H 121 7.695 7.695 7.609 0.086 17603 3489 1 4 . 1 1 122 122 GLN N N 122 119.537 119.537 119.356 0.181 17603 3490 1 4 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.021 -0.159 17603 3491 1 4 . 1 1 122 122 GLN C C 122 176.722 176.722 177.850 -1.128 17603 3492 1 4 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.226 0.614 17603 3493 1 4 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.763 0.028 17603 3494 1 4 . 1 1 122 122 GLN H H 122 8.845 8.845 8.275 0.570 17603 3495 1 4 . 1 1 123 123 GLN N N 123 113.333 113.333 115.660 -2.327 17603 3496 1 4 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.205 -0.051 17603 3497 1 4 . 1 1 123 123 GLN C C 123 174.075 174.075 175.122 -1.047 17603 3498 1 4 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.567 -0.558 17603 3499 1 4 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.883 0.850 17603 3500 1 4 . 1 1 123 123 GLN H H 123 6.862 6.862 7.525 -0.663 17603 3501 1 4 . 1 1 124 124 LYS N N 124 114.431 114.431 114.497 -0.066 17603 3502 1 4 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.259 2.196 17603 3503 1 4 . 1 1 124 124 LYS C C 124 174.727 174.727 175.150 -0.423 17603 3504 1 4 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.419 0.030 17603 3505 1 4 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.799 -0.416 17603 3506 1 4 . 1 1 124 124 LYS H H 124 7.238 7.238 7.454 -0.216 17603 3507 1 4 . 1 1 125 125 ARG N N 125 119.411 119.411 118.619 0.792 17603 3508 1 4 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.178 0.082 17603 3509 1 4 . 1 1 125 125 ARG C C 125 177.251 177.251 176.361 0.890 17603 3510 1 4 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.506 -0.933 17603 3511 1 4 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.572 -0.360 17603 3512 1 4 . 1 1 125 125 ARG H H 125 7.651 7.651 7.674 -0.023 17603 3513 1 4 . 1 1 126 126 TRP N N 126 119.823 119.823 123.548 -3.725 17603 3514 1 4 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.257 0.065 17603 3515 1 4 . 1 1 126 126 TRP C C 126 178.830 178.830 177.717 1.113 17603 3516 1 4 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.463 -1.639 17603 3517 1 4 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.300 2.161 17603 3518 1 4 . 1 1 126 126 TRP H H 126 6.865 6.865 7.441 -0.576 17603 3519 1 4 . 1 1 127 127 ASP N N 127 116.894 116.894 117.861 -0.967 17603 3520 1 4 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.413 -0.013 17603 3521 1 4 . 1 1 127 127 ASP C C 127 178.748 178.748 178.560 0.188 17603 3522 1 4 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.987 -0.302 17603 3523 1 4 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.842 0.205 17603 3524 1 4 . 1 1 127 127 ASP H H 127 8.598 8.598 8.843 -0.245 17603 3525 1 4 . 1 1 128 128 GLU N N 128 120.788 120.788 120.322 0.466 17603 3526 1 4 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.078 -0.104 17603 3527 1 4 . 1 1 128 128 GLU C C 128 180.057 180.057 178.424 1.633 17603 3528 1 4 . 1 1 128 128 GLU CA C 128 59.526 59.526 58.993 0.533 17603 3529 1 4 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.920 0.951 17603 3530 1 4 . 1 1 128 128 GLU H H 128 8.191 8.191 8.258 -0.067 17603 3531 1 4 . 1 1 129 129 ALA N N 129 122.103 122.103 121.982 0.121 17603 3532 1 4 . 1 1 129 129 ALA HA H 129 3.970 3.970 4.000 -0.030 17603 3533 1 4 . 1 1 129 129 ALA C C 129 178.495 178.495 179.694 -1.199 17603 3534 1 4 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.100 -0.057 17603 3535 1 4 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.175 -0.404 17603 3536 1 4 . 1 1 129 129 ALA H H 129 8.587 8.587 8.534 0.053 17603 3537 1 4 . 1 1 130 130 ALA N N 130 119.336 119.336 121.198 -1.862 17603 3538 1 4 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.954 0.089 17603 3539 1 4 . 1 1 130 130 ALA C C 130 179.804 179.804 179.648 0.156 17603 3540 1 4 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.163 0.655 17603 3541 1 4 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.486 0.410 17603 3542 1 4 . 1 1 130 130 ALA H H 130 8.235 8.235 8.052 0.183 17603 3543 1 4 . 1 1 131 131 VAL N N 131 118.685 118.685 118.601 0.084 17603 3544 1 4 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.425 0.154 17603 3545 1 4 . 1 1 131 131 VAL C C 131 178.078 178.078 178.266 -0.188 17603 3546 1 4 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.662 -0.343 17603 3547 1 4 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.460 0.675 17603 3548 1 4 . 1 1 131 131 VAL H H 131 7.697 7.697 8.139 -0.442 17603 3549 1 4 . 1 1 132 132 ASN N N 132 118.648 118.648 117.984 0.664 17603 3550 1 4 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.459 -0.198 17603 3551 1 4 . 1 1 132 132 ASN C C 132 178.965 178.965 178.581 0.384 17603 3552 1 4 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.229 0.943 17603 3553 1 4 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.446 1.352 17603 3554 1 4 . 1 1 132 132 ASN H H 132 7.569 7.569 8.069 -0.500 17603 3555 1 4 . 1 1 133 133 LEU N N 133 120.750 120.750 120.752 -0.002 17603 3556 1 4 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.262 -0.036 17603 3557 1 4 . 1 1 133 133 LEU C C 133 179.956 179.956 178.790 1.166 17603 3558 1 4 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.568 0.509 17603 3559 1 4 . 1 1 133 133 LEU CB C 133 44.013 44.013 41.939 2.074 17603 3560 1 4 . 1 1 133 133 LEU H H 133 8.903 8.903 8.220 0.683 17603 3561 1 4 . 1 1 134 134 ALA N N 134 121.339 121.339 118.660 2.679 17603 3562 1 4 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.551 0.101 17603 3563 1 4 . 1 1 134 134 ALA C C 134 176.582 176.582 177.197 -0.615 17603 3564 1 4 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.356 -0.161 17603 3565 1 4 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.119 -0.583 17603 3566 1 4 . 1 1 134 134 ALA H H 134 7.681 7.681 7.394 0.287 17603 3567 1 4 . 1 1 135 135 LYS N N 135 116.197 116.197 117.079 -0.882 17603 3568 1 4 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.237 0.133 17603 3569 1 4 . 1 1 135 135 LYS C C 135 176.573 176.573 176.964 -0.391 17603 3570 1 4 . 1 1 135 135 LYS CA C 135 55.564 55.564 56.047 -0.483 17603 3571 1 4 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.529 0.167 17603 3572 1 4 . 1 1 135 135 LYS H H 135 7.168 7.168 7.436 -0.268 17603 3573 1 4 . 1 1 136 136 SER N N 136 115.115 115.115 114.614 0.501 17603 3574 1 4 . 1 1 136 136 SER HA H 136 4.503 4.503 4.521 -0.018 17603 3575 1 4 . 1 1 136 136 SER C C 136 174.968 174.968 175.294 -0.326 17603 3576 1 4 . 1 1 136 136 SER CA C 136 58.565 58.565 57.477 1.088 17603 3577 1 4 . 1 1 136 136 SER CB C 136 66.690 66.690 65.580 1.110 17603 3578 1 4 . 1 1 136 136 SER H H 136 7.546 7.546 7.751 -0.205 17603 3579 1 4 . 1 1 137 137 ARG N N 137 122.827 122.827 122.661 0.166 17603 3580 1 4 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.169 0.028 17603 3581 1 4 . 1 1 137 137 ARG C C 137 178.570 178.570 178.258 0.312 17603 3582 1 4 . 1 1 137 137 ARG CA C 137 59.338 59.338 59.482 -0.144 17603 3583 1 4 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.337 -0.545 17603 3584 1 4 . 1 1 137 137 ARG H H 137 8.786 8.786 9.048 -0.262 17603 3585 1 4 . 1 1 138 138 TRP N N 138 119.297 119.297 121.307 -2.010 17603 3586 1 4 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.438 -0.360 17603 3587 1 4 . 1 1 138 138 TRP C C 138 176.101 176.101 177.129 -1.028 17603 3588 1 4 . 1 1 138 138 TRP CA C 138 61.807 61.807 60.167 1.640 17603 3589 1 4 . 1 1 138 138 TRP CB C 138 28.775 28.775 28.925 -0.150 17603 3590 1 4 . 1 1 138 138 TRP H H 138 8.256 8.256 8.164 0.092 17603 3591 1 4 . 1 1 139 139 TYR N N 139 117.950 117.950 118.622 -0.672 17603 3592 1 4 . 1 1 139 139 TYR HA H 139 3.116 3.116 4.189 -1.073 17603 3593 1 4 . 1 1 139 139 TYR C C 139 175.615 175.615 176.457 -0.842 17603 3594 1 4 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.234 -0.433 17603 3595 1 4 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.319 0.497 17603 3596 1 4 . 1 1 139 139 TYR H H 139 7.786 7.786 7.980 -0.194 17603 3597 1 4 . 1 1 140 140 ASN N N 140 111.511 111.511 116.400 -4.889 17603 3598 1 4 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.520 -0.269 17603 3599 1 4 . 1 1 140 140 ASN C C 140 176.804 176.804 176.857 -0.053 17603 3600 1 4 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.050 0.309 17603 3601 1 4 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.391 1.200 17603 3602 1 4 . 1 1 140 140 ASN H H 140 7.115 7.115 7.985 -0.870 17603 3603 1 4 . 1 1 141 141 GLN N N 141 117.466 117.466 117.167 0.299 17603 3604 1 4 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.271 -0.158 17603 3605 1 4 . 1 1 141 141 GLN CA C 141 57.729 57.729 56.873 0.856 17603 3606 1 4 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.806 -0.159 17603 3607 1 4 . 1 1 141 141 GLN H H 141 7.855 7.855 7.580 0.275 17603 3608 1 4 . 1 1 142 142 THR N N 142 110.630 110.630 110.448 0.182 17603 3609 1 4 . 1 1 142 142 THR CA C 142 56.326 56.326 59.258 -2.932 17603 3610 1 4 . 1 1 142 142 THR CB C 142 69.490 69.490 69.440 0.050 17603 3611 1 4 . 1 1 142 142 THR H H 142 6.964 6.964 7.852 -0.888 17603 3612 1 4 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.525 0.136 17603 3613 1 4 . 1 1 143 143 PRO C C 143 178.494 178.494 177.753 0.741 17603 3614 1 4 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.998 0.614 17603 3615 1 4 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.452 0.420 17603 3616 1 4 . 1 1 144 144 ASN N N 144 116.334 116.334 117.181 -0.847 17603 3617 1 4 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.341 -0.026 17603 3618 1 4 . 1 1 144 144 ASN C C 144 177.341 177.341 176.998 0.343 17603 3619 1 4 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.348 0.320 17603 3620 1 4 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.556 0.111 17603 3621 1 4 . 1 1 144 144 ASN H H 144 7.971 7.971 8.459 -0.488 17603 3622 1 4 . 1 1 145 145 ARG N N 145 121.642 121.642 121.479 0.163 17603 3623 1 4 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.148 -0.218 17603 3624 1 4 . 1 1 145 145 ARG C C 145 177.087 177.087 177.922 -0.835 17603 3625 1 4 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.367 -1.232 17603 3626 1 4 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.095 1.360 17603 3627 1 4 . 1 1 145 145 ARG H H 145 7.750 7.750 8.133 -0.383 17603 3628 1 4 . 1 1 146 146 ALA N N 146 119.316 119.316 122.000 -2.684 17603 3629 1 4 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.292 -0.434 17603 3630 1 4 . 1 1 146 146 ALA C C 146 179.664 179.664 178.879 0.785 17603 3631 1 4 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.409 0.132 17603 3632 1 4 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.699 1.316 17603 3633 1 4 . 1 1 146 146 ALA H H 146 8.429 8.429 8.207 0.222 17603 3634 1 4 . 1 1 147 147 LYS N N 147 116.714 116.714 119.439 -2.725 17603 3635 1 4 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.084 -0.043 17603 3636 1 4 . 1 1 147 147 LYS C C 147 179.974 179.974 178.940 1.034 17603 3637 1 4 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.903 0.826 17603 3638 1 4 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.343 0.445 17603 3639 1 4 . 1 1 147 147 LYS H H 147 8.253 8.253 8.156 0.097 17603 3640 1 4 . 1 1 148 148 ARG N N 148 119.234 119.234 118.719 0.515 17603 3641 1 4 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.942 -0.109 17603 3642 1 4 . 1 1 148 148 ARG C C 148 180.146 180.146 178.958 1.188 17603 3643 1 4 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.344 1.449 17603 3644 1 4 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.059 0.179 17603 3645 1 4 . 1 1 148 148 ARG H H 148 7.279 7.279 7.795 -0.516 17603 3646 1 4 . 1 1 149 149 VAL N N 149 125.307 125.307 120.450 4.857 17603 3647 1 4 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.737 -0.280 17603 3648 1 4 . 1 1 149 149 VAL C C 149 178.460 178.460 178.242 0.218 17603 3649 1 4 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.505 1.663 17603 3650 1 4 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.902 0.553 17603 3651 1 4 . 1 1 149 149 VAL H H 149 8.816 8.816 7.582 1.234 17603 3652 1 4 . 1 1 150 150 ILE N N 150 121.097 121.097 120.913 0.184 17603 3653 1 4 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.904 -0.018 17603 3654 1 4 . 1 1 150 150 ILE C C 150 178.378 178.378 178.145 0.233 17603 3655 1 4 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.839 1.529 17603 3656 1 4 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.848 -0.149 17603 3657 1 4 . 1 1 150 150 ILE H H 150 9.547 9.547 8.864 0.683 17603 3658 1 4 . 1 1 151 151 THR N N 151 117.959 117.959 116.792 1.167 17603 3659 1 4 . 1 1 151 151 THR HA H 151 3.933 3.933 4.033 -0.100 17603 3660 1 4 . 1 1 151 151 THR C C 151 176.283 176.283 176.557 -0.274 17603 3661 1 4 . 1 1 151 151 THR CA C 151 67.403 67.403 67.645 -0.242 17603 3662 1 4 . 1 1 151 151 THR CB C 151 68.172 68.172 68.354 -0.182 17603 3663 1 4 . 1 1 151 151 THR H H 151 8.444 8.444 8.524 -0.080 17603 3664 1 4 . 1 1 152 152 THR N N 152 122.010 122.010 119.743 2.267 17603 3665 1 4 . 1 1 152 152 THR HA H 152 3.944 3.944 4.191 -0.247 17603 3666 1 4 . 1 1 152 152 THR C C 152 176.671 176.671 176.303 0.368 17603 3667 1 4 . 1 1 152 152 THR CA C 152 67.498 67.498 66.870 0.628 17603 3668 1 4 . 1 1 152 152 THR H H 152 7.964 7.964 7.762 0.202 17603 3669 1 4 . 1 1 153 153 PHE N N 153 120.387 120.387 121.251 -0.864 17603 3670 1 4 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.108 -0.155 17603 3671 1 4 . 1 1 153 153 PHE C C 153 178.321 178.321 177.427 0.894 17603 3672 1 4 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.600 1.109 17603 3673 1 4 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.380 0.960 17603 3674 1 4 . 1 1 153 153 PHE H H 153 8.375 8.375 8.232 0.143 17603 3675 1 4 . 1 1 154 154 ARG N N 154 118.015 118.015 119.608 -1.593 17603 3676 1 4 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.181 -0.111 17603 3677 1 4 . 1 1 154 154 ARG C C 154 178.076 178.076 178.505 -0.429 17603 3678 1 4 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.924 0.438 17603 3679 1 4 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.580 0.966 17603 3680 1 4 . 1 1 154 154 ARG H H 154 8.795 8.795 8.424 0.371 17603 3681 1 4 . 1 1 155 155 THR N N 155 104.622 104.622 108.823 -4.201 17603 3682 1 4 . 1 1 155 155 THR HA H 155 4.252 4.252 4.301 -0.049 17603 3683 1 4 . 1 1 155 155 THR C C 155 176.765 176.765 175.750 1.015 17603 3684 1 4 . 1 1 155 155 THR CA C 155 62.470 62.470 62.119 0.351 17603 3685 1 4 . 1 1 155 155 THR CB C 155 71.330 71.330 69.921 1.409 17603 3686 1 4 . 1 1 155 155 THR H H 155 8.169 8.169 7.911 0.258 17603 3687 1 4 . 1 1 156 156 GLY N N 156 111.689 111.689 112.332 -0.643 17603 3688 1 4 . 1 1 156 156 GLY C C 156 172.933 172.933 174.175 -1.242 17603 3689 1 4 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.927 0.240 17603 3690 1 4 . 1 1 156 156 GLY H H 156 8.491 8.491 8.021 0.470 17603 3691 1 4 . 1 1 157 157 THR N N 157 108.301 108.301 110.557 -2.256 17603 3692 1 4 . 1 1 157 157 THR HA H 157 4.637 4.637 4.374 0.263 17603 3693 1 4 . 1 1 157 157 THR C C 157 174.086 174.086 173.034 1.052 17603 3694 1 4 . 1 1 157 157 THR CA C 157 58.748 58.748 59.379 -0.631 17603 3695 1 4 . 1 1 157 157 THR CB C 157 72.418 72.418 71.534 0.884 17603 3696 1 4 . 1 1 157 157 THR H H 157 7.603 7.603 7.254 0.349 17603 3697 1 4 . 1 1 158 158 TRP N N 158 118.038 118.038 119.733 -1.695 17603 3698 1 4 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.934 0.130 17603 3699 1 4 . 1 1 158 158 TRP C C 158 177.922 177.922 176.878 1.044 17603 3700 1 4 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.472 -0.126 17603 3701 1 4 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.358 0.421 17603 3702 1 4 . 1 1 158 158 TRP H H 158 8.602 8.602 8.600 0.002 17603 3703 1 4 . 1 1 159 159 ASP N N 159 119.620 119.620 122.154 -2.534 17603 3704 1 4 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.458 -0.265 17603 3705 1 4 . 1 1 159 159 ASP C C 159 177.407 177.407 178.106 -0.699 17603 3706 1 4 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.618 1.161 17603 3707 1 4 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.242 0.432 17603 3708 1 4 . 1 1 159 159 ASP H H 159 7.909 7.909 7.857 0.052 17603 3709 1 4 . 1 1 160 160 ALA N N 160 119.985 119.985 121.162 -1.177 17603 3710 1 4 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.178 0.023 17603 3711 1 4 . 1 1 160 160 ALA C C 160 177.362 177.362 177.928 -0.566 17603 3712 1 4 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.657 0.072 17603 3713 1 4 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.526 0.092 17603 3714 1 4 . 1 1 160 160 ALA H H 160 9.187 9.187 8.338 0.849 17603 3715 1 4 . 1 1 161 161 TYR N N 161 113.735 113.735 113.350 0.385 17603 3716 1 4 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.638 -0.392 17603 3717 1 4 . 1 1 161 161 TYR C C 161 175.125 175.125 177.427 -2.302 17603 3718 1 4 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.242 0.666 17603 3719 1 4 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.419 0.437 17603 3720 1 4 . 1 1 161 161 TYR H H 161 8.061 8.061 8.012 0.049 17603 3721 1 4 . 1 1 162 162 LYS N N 162 119.491 119.491 120.351 -0.860 17603 3722 1 4 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.231 -0.082 17603 3723 1 4 . 1 1 162 162 LYS C C 162 176.030 176.030 177.876 -1.846 17603 3724 1 4 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.405 -0.947 17603 3725 1 4 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.208 -3.080 17603 3726 1 4 . 1 1 162 162 LYS H H 162 7.262 7.262 7.668 -0.406 17603 3727 1 4 . 1 1 163 163 ASN N N 163 117.131 117.131 115.963 1.168 17603 3728 1 4 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.682 -0.092 17603 3729 1 4 . 1 1 163 163 ASN C C 163 173.691 173.691 175.324 -1.633 17603 3730 1 4 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.506 0.378 17603 3731 1 4 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.061 -0.919 17603 3732 1 4 . 1 1 163 163 ASN H H 163 8.457 8.457 8.407 0.050 17603 3733 1 5 . 1 1 2 2 ASN N N 2 115.826 115.826 119.794 -3.968 17603 3734 1 5 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.581 -0.114 17603 3735 1 5 . 1 1 2 2 ASN C C 2 174.640 174.640 174.594 0.046 17603 3736 1 5 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.059 -0.145 17603 3737 1 5 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.065 0.180 17603 3738 1 5 . 1 1 2 2 ASN H H 2 6.923 6.923 7.738 -0.815 17603 3739 1 5 . 1 1 3 3 ILE N N 3 116.880 116.880 119.964 -3.084 17603 3740 1 5 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.880 0.197 17603 3741 1 5 . 1 1 3 3 ILE C C 3 174.099 174.099 176.438 -2.339 17603 3742 1 5 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.981 -1.350 17603 3743 1 5 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.927 0.265 17603 3744 1 5 . 1 1 3 3 ILE H H 3 8.815 8.815 8.503 0.312 17603 3745 1 5 . 1 1 4 4 PHE N N 4 121.992 121.992 118.780 3.212 17603 3746 1 5 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.210 -0.181 17603 3747 1 5 . 1 1 4 4 PHE C C 4 177.093 177.093 178.085 -0.992 17603 3748 1 5 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.269 -1.261 17603 3749 1 5 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.374 -0.214 17603 3750 1 5 . 1 1 4 4 PHE H H 4 7.336 7.336 8.046 -0.710 17603 3751 1 5 . 1 1 5 5 GLU N N 5 118.284 118.284 119.564 -1.280 17603 3752 1 5 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.908 -0.127 17603 3753 1 5 . 1 1 5 5 GLU C C 5 178.340 178.340 179.048 -0.708 17603 3754 1 5 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.166 -0.517 17603 3755 1 5 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.406 0.950 17603 3756 1 5 . 1 1 5 5 GLU H H 5 7.892 7.892 8.600 -0.708 17603 3757 1 5 . 1 1 6 6 MET N N 6 118.546 118.546 120.913 -2.367 17603 3758 1 5 . 1 1 6 6 MET HA H 6 3.314 3.314 3.791 -0.477 17603 3759 1 5 . 1 1 6 6 MET C C 6 177.078 177.078 178.037 -0.959 17603 3760 1 5 . 1 1 6 6 MET CA C 6 58.988 58.988 59.243 -0.255 17603 3761 1 5 . 1 1 6 6 MET CB C 6 34.498 34.498 32.593 1.905 17603 3762 1 5 . 1 1 6 6 MET H H 6 7.946 7.946 8.386 -0.440 17603 3763 1 5 . 1 1 7 7 LEU N N 7 116.516 116.516 118.304 -1.788 17603 3764 1 5 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.932 0.036 17603 3765 1 5 . 1 1 7 7 LEU C C 7 178.579 178.579 178.737 -0.158 17603 3766 1 5 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.464 0.141 17603 3767 1 5 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.270 0.624 17603 3768 1 5 . 1 1 7 7 LEU H H 7 7.969 7.969 8.228 -0.259 17603 3769 1 5 . 1 1 8 8 ARG N N 8 120.793 120.793 120.125 0.668 17603 3770 1 5 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.857 -0.298 17603 3771 1 5 . 1 1 8 8 ARG C C 8 180.018 180.018 178.765 1.253 17603 3772 1 5 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.331 1.915 17603 3773 1 5 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.249 0.269 17603 3774 1 5 . 1 1 8 8 ARG H H 8 8.161 8.161 8.129 0.032 17603 3775 1 5 . 1 1 9 9 ILE N N 9 120.805 120.805 118.541 2.264 17603 3776 1 5 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.784 -0.211 17603 3777 1 5 . 1 1 9 9 ILE C C 9 177.878 177.878 177.308 0.570 17603 3778 1 5 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.795 0.481 17603 3779 1 5 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.075 0.198 17603 3780 1 5 . 1 1 9 9 ILE H H 9 7.628 7.628 7.966 -0.338 17603 3781 1 5 . 1 1 10 10 ASP N N 10 118.172 118.172 117.698 0.474 17603 3782 1 5 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.619 -0.213 17603 3783 1 5 . 1 1 10 10 ASP C C 10 178.041 178.041 177.887 0.154 17603 3784 1 5 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.525 1.769 17603 3785 1 5 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.159 0.712 17603 3786 1 5 . 1 1 10 10 ASP H H 10 7.999 7.999 8.015 -0.016 17603 3787 1 5 . 1 1 11 11 GLU N N 11 115.562 115.562 115.978 -0.416 17603 3788 1 5 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.565 0.076 17603 3789 1 5 . 1 1 11 11 GLU C C 11 178.197 178.197 177.323 0.874 17603 3790 1 5 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.188 -0.084 17603 3791 1 5 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.665 -0.570 17603 3792 1 5 . 1 1 11 11 GLU H H 11 8.855 8.855 8.231 0.624 17603 3793 1 5 . 1 1 12 12 GLY N N 12 109.971 109.971 108.591 1.380 17603 3794 1 5 . 1 1 12 12 GLY C C 12 170.049 170.049 171.885 -1.836 17603 3795 1 5 . 1 1 12 12 GLY CA C 12 44.694 44.694 45.005 -0.311 17603 3796 1 5 . 1 1 12 12 GLY H H 12 7.550 7.550 7.951 -0.401 17603 3797 1 5 . 1 1 13 13 LEU N N 13 117.547 117.547 121.465 -3.918 17603 3798 1 5 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.037 -0.579 17603 3799 1 5 . 1 1 13 13 LEU C C 13 175.566 175.566 175.118 0.448 17603 3800 1 5 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.523 0.049 17603 3801 1 5 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.632 -0.765 17603 3802 1 5 . 1 1 13 13 LEU H H 13 7.755 7.755 8.214 -0.459 17603 3803 1 5 . 1 1 14 14 ARG N N 14 126.722 126.722 125.083 1.639 17603 3804 1 5 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.657 0.028 17603 3805 1 5 . 1 1 14 14 ARG C C 14 175.979 175.979 175.903 0.076 17603 3806 1 5 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.880 -0.617 17603 3807 1 5 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.434 0.384 17603 3808 1 5 . 1 1 14 14 ARG H H 14 8.214 8.214 8.229 -0.015 17603 3809 1 5 . 1 1 15 15 LEU N N 15 123.112 123.112 121.326 1.786 17603 3810 1 5 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.384 -0.039 17603 3811 1 5 . 1 1 15 15 LEU C C 15 173.808 173.808 176.045 -2.237 17603 3812 1 5 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.070 -0.297 17603 3813 1 5 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.306 -2.534 17603 3814 1 5 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 3815 1 5 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 3816 1 5 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.259 0.097 17603 3817 1 5 . 1 1 16 16 LYS C C 16 176.072 176.072 176.752 -0.680 17603 3818 1 5 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.201 -0.328 17603 3819 1 5 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.228 0.733 17603 3820 1 5 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 3821 1 5 . 1 1 17 17 ILE N N 17 120.916 120.916 126.323 -5.407 17603 3822 1 5 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.292 -0.184 17603 3823 1 5 . 1 1 17 17 ILE C C 17 174.826 174.826 176.491 -1.665 17603 3824 1 5 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.467 0.479 17603 3825 1 5 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.377 1.105 17603 3826 1 5 . 1 1 17 17 ILE H H 17 7.555 7.555 8.257 -0.702 17603 3827 1 5 . 1 1 18 18 TYR N N 18 128.021 128.021 125.981 2.040 17603 3828 1 5 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.119 -0.043 17603 3829 1 5 . 1 1 18 18 TYR C C 18 172.698 172.698 173.530 -0.832 17603 3830 1 5 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.296 0.310 17603 3831 1 5 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.912 0.602 17603 3832 1 5 . 1 1 18 18 TYR H H 18 9.340 9.340 9.093 0.247 17603 3833 1 5 . 1 1 19 19 LYS N N 19 122.578 122.578 120.919 1.659 17603 3834 1 5 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.558 -0.025 17603 3835 1 5 . 1 1 19 19 LYS C C 19 175.823 175.823 176.231 -0.408 17603 3836 1 5 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.012 0.094 17603 3837 1 5 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.877 0.343 17603 3838 1 5 . 1 1 19 19 LYS H H 19 8.260 8.260 8.419 -0.159 17603 3839 1 5 . 1 1 20 20 ASP N N 20 125.695 125.695 124.389 1.306 17603 3840 1 5 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.768 -0.177 17603 3841 1 5 . 1 1 20 20 ASP C C 20 178.065 178.065 178.361 -0.296 17603 3842 1 5 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.196 -0.412 17603 3843 1 5 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.630 -0.710 17603 3844 1 5 . 1 1 20 20 ASP H H 20 8.517 8.517 8.850 -0.333 17603 3845 1 5 . 1 1 21 21 THR N N 21 110.206 110.206 109.415 0.791 17603 3846 1 5 . 1 1 21 21 THR HA H 21 3.982 3.982 4.081 -0.099 17603 3847 1 5 . 1 1 21 21 THR C C 21 175.854 175.854 175.769 0.085 17603 3848 1 5 . 1 1 21 21 THR CA C 21 65.025 65.025 64.896 0.129 17603 3849 1 5 . 1 1 21 21 THR CB C 21 68.796 68.796 68.896 -0.100 17603 3850 1 5 . 1 1 21 21 THR H H 21 7.953 7.953 8.622 -0.669 17603 3851 1 5 . 1 1 22 22 GLU N N 22 120.359 120.359 120.108 0.251 17603 3852 1 5 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.258 -0.085 17603 3853 1 5 . 1 1 22 22 GLU C C 22 175.597 175.597 176.382 -0.785 17603 3854 1 5 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.629 0.669 17603 3855 1 5 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.767 0.586 17603 3856 1 5 . 1 1 22 22 GLU H H 22 8.013 8.013 8.097 -0.084 17603 3857 1 5 . 1 1 23 23 GLY N N 23 106.729 106.729 106.727 0.002 17603 3858 1 5 . 1 1 23 23 GLY C C 23 173.526 173.526 174.062 -0.536 17603 3859 1 5 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.061 -0.095 17603 3860 1 5 . 1 1 23 23 GLY H H 23 7.841 7.841 7.828 0.013 17603 3861 1 5 . 1 1 24 24 TYR N N 24 120.577 120.577 119.517 1.060 17603 3862 1 5 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.517 0.358 17603 3863 1 5 . 1 1 24 24 TYR C C 24 177.535 177.535 175.791 1.744 17603 3864 1 5 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.465 -1.222 17603 3865 1 5 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.083 -0.782 17603 3866 1 5 . 1 1 24 24 TYR H H 24 8.116 8.116 8.087 0.029 17603 3867 1 5 . 1 1 25 25 TYR N N 25 122.385 122.385 123.194 -0.809 17603 3868 1 5 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.893 0.042 17603 3869 1 5 . 1 1 25 25 TYR C C 25 175.310 175.310 176.204 -0.894 17603 3870 1 5 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.015 -0.221 17603 3871 1 5 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.885 2.008 17603 3872 1 5 . 1 1 25 25 TYR H H 25 8.679 8.679 8.885 -0.206 17603 3873 1 5 . 1 1 26 26 THR N N 26 120.628 120.628 118.049 2.579 17603 3874 1 5 . 1 1 26 26 THR HA H 26 5.179 5.179 5.058 0.121 17603 3875 1 5 . 1 1 26 26 THR C C 26 180.259 180.259 172.608 7.651 17603 3876 1 5 . 1 1 26 26 THR CA C 26 61.015 61.015 61.283 -0.268 17603 3877 1 5 . 1 1 26 26 THR CB C 26 72.424 72.424 72.393 0.031 17603 3878 1 5 . 1 1 26 26 THR H H 26 9.362 9.362 9.069 0.293 17603 3879 1 5 . 1 1 27 27 ILE N N 27 120.468 120.468 120.683 -0.215 17603 3880 1 5 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.516 0.030 17603 3881 1 5 . 1 1 27 27 ILE C C 27 172.440 172.440 174.631 -2.191 17603 3882 1 5 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.796 0.711 17603 3883 1 5 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.031 1.153 17603 3884 1 5 . 1 1 27 27 ILE H H 27 8.814 8.814 8.529 0.285 17603 3885 1 5 . 1 1 28 28 GLY N N 28 112.172 112.172 112.803 -0.631 17603 3886 1 5 . 1 1 28 28 GLY C C 28 174.772 174.772 174.198 0.574 17603 3887 1 5 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.071 -0.074 17603 3888 1 5 . 1 1 28 28 GLY H H 28 8.553 8.553 8.798 -0.245 17603 3889 1 5 . 1 1 29 29 ILE N N 29 133.320 133.320 125.117 8.203 17603 3890 1 5 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.424 0.402 17603 3891 1 5 . 1 1 29 29 ILE C C 29 176.677 176.677 176.630 0.047 17603 3892 1 5 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.785 -1.573 17603 3893 1 5 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.739 -0.878 17603 3894 1 5 . 1 1 29 29 ILE H H 29 10.142 10.142 8.649 1.493 17603 3895 1 5 . 1 1 30 30 GLY N N 30 108.192 108.192 112.434 -4.242 17603 3896 1 5 . 1 1 30 30 GLY C C 30 173.131 173.131 174.187 -1.056 17603 3897 1 5 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.055 1.136 17603 3898 1 5 . 1 1 30 30 GLY H H 30 8.121 8.121 8.392 -0.271 17603 3899 1 5 . 1 1 31 31 HIS N N 31 115.740 115.740 120.061 -4.321 17603 3900 1 5 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.613 -0.312 17603 3901 1 5 . 1 1 31 31 HIS C C 31 173.495 173.495 174.490 -0.995 17603 3902 1 5 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.730 1.944 17603 3903 1 5 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.850 -2.279 17603 3904 1 5 . 1 1 31 31 HIS H H 31 8.266 8.266 8.371 -0.105 17603 3905 1 5 . 1 1 32 32 LEU N N 32 132.140 132.140 128.614 3.526 17603 3906 1 5 . 1 1 32 32 LEU HA H 32 4.089 4.089 4.003 0.086 17603 3907 1 5 . 1 1 32 32 LEU C C 32 176.486 176.486 175.643 0.843 17603 3908 1 5 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.445 0.395 17603 3909 1 5 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.145 -0.211 17603 3910 1 5 . 1 1 32 32 LEU H H 32 7.873 7.873 9.140 -1.267 17603 3911 1 5 . 1 1 33 33 LEU N N 33 125.594 125.594 126.380 -0.786 17603 3912 1 5 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.378 0.058 17603 3913 1 5 . 1 1 33 33 LEU C C 33 176.139 176.139 177.132 -0.993 17603 3914 1 5 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.938 -0.256 17603 3915 1 5 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.127 0.323 17603 3916 1 5 . 1 1 33 33 LEU H H 33 9.060 9.060 8.781 0.279 17603 3917 1 5 . 1 1 34 34 THR N N 34 109.512 109.512 109.022 0.490 17603 3918 1 5 . 1 1 34 34 THR HA H 34 4.485 4.485 4.390 0.095 17603 3919 1 5 . 1 1 34 34 THR C C 34 171.666 171.666 172.302 -0.636 17603 3920 1 5 . 1 1 34 34 THR CA C 34 60.278 60.278 61.361 -1.083 17603 3921 1 5 . 1 1 34 34 THR CB C 34 67.479 67.479 71.438 -3.959 17603 3922 1 5 . 1 1 34 34 THR H H 34 7.266 7.266 7.381 -0.115 17603 3923 1 5 . 1 1 35 35 LYS N N 35 125.041 125.041 122.560 2.481 17603 3924 1 5 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.021 0.273 17603 3925 1 5 . 1 1 35 35 LYS C C 35 176.714 176.714 176.758 -0.044 17603 3926 1 5 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.907 0.448 17603 3927 1 5 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.283 0.103 17603 3928 1 5 . 1 1 35 35 LYS H H 35 8.556 8.556 8.281 0.275 17603 3929 1 5 . 1 1 36 36 SER N N 36 119.417 119.417 117.702 1.715 17603 3930 1 5 . 1 1 36 36 SER CA C 36 57.016 57.016 56.283 0.733 17603 3931 1 5 . 1 1 36 36 SER CB C 36 64.053 64.053 63.780 0.273 17603 3932 1 5 . 1 1 36 36 SER H H 36 8.671 8.671 7.813 0.858 17603 3933 1 5 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.581 0.253 17603 3934 1 5 . 1 1 37 37 PRO C C 37 177.182 177.182 176.813 0.369 17603 3935 1 5 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.438 0.279 17603 3936 1 5 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.943 -1.291 17603 3937 1 5 . 1 1 38 38 SER N N 38 116.310 116.310 116.117 0.193 17603 3938 1 5 . 1 1 38 38 SER HA H 38 4.703 4.703 4.572 0.131 17603 3939 1 5 . 1 1 38 38 SER C C 38 174.405 174.405 175.308 -0.903 17603 3940 1 5 . 1 1 38 38 SER CA C 38 56.494 56.494 56.686 -0.192 17603 3941 1 5 . 1 1 38 38 SER CB C 38 63.608 63.608 63.572 0.036 17603 3942 1 5 . 1 1 38 38 SER H H 38 8.189 8.189 7.760 0.429 17603 3943 1 5 . 1 1 39 39 LEU N N 39 132.784 132.784 130.486 2.298 17603 3944 1 5 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.352 0.003 17603 3945 1 5 . 1 1 39 39 LEU C C 39 178.441 178.441 177.571 0.870 17603 3946 1 5 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.147 0.111 17603 3947 1 5 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.849 -0.364 17603 3948 1 5 . 1 1 39 39 LEU H H 39 8.916 8.916 8.793 0.123 17603 3949 1 5 . 1 1 40 40 ASN N N 40 116.840 116.840 117.514 -0.674 17603 3950 1 5 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.342 -0.079 17603 3951 1 5 . 1 1 40 40 ASN C C 40 178.226 178.226 177.434 0.792 17603 3952 1 5 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.977 0.361 17603 3953 1 5 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 3954 1 5 . 1 1 40 40 ASN H H 40 8.255 8.255 8.221 0.034 17603 3955 1 5 . 1 1 41 41 ALA N N 41 123.964 123.964 122.976 0.988 17603 3956 1 5 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.996 0.198 17603 3957 1 5 . 1 1 41 41 ALA C C 41 179.835 179.835 178.894 0.941 17603 3958 1 5 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.928 -0.060 17603 3959 1 5 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.354 -0.482 17603 3960 1 5 . 1 1 41 41 ALA H H 41 7.710 7.710 7.591 0.119 17603 3961 1 5 . 1 1 42 42 ALA N N 42 121.099 121.099 121.298 -0.199 17603 3962 1 5 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.876 -0.126 17603 3963 1 5 . 1 1 42 42 ALA C C 42 178.838 178.838 179.453 -0.615 17603 3964 1 5 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.105 0.428 17603 3965 1 5 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.085 0.491 17603 3966 1 5 . 1 1 42 42 ALA H H 42 7.571 7.571 7.858 -0.287 17603 3967 1 5 . 1 1 43 43 LYS N N 43 117.308 117.308 118.137 -0.829 17603 3968 1 5 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.892 -0.238 17603 3969 1 5 . 1 1 43 43 LYS C C 43 177.511 177.511 178.920 -1.409 17603 3970 1 5 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.716 0.943 17603 3971 1 5 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 3972 1 5 . 1 1 43 43 LYS H H 43 8.377 8.377 8.251 0.126 17603 3973 1 5 . 1 1 44 44 SER N N 44 114.066 114.066 115.250 -1.184 17603 3974 1 5 . 1 1 44 44 SER HA H 44 4.256 4.256 4.165 0.091 17603 3975 1 5 . 1 1 44 44 SER C C 44 177.894 177.894 176.607 1.287 17603 3976 1 5 . 1 1 44 44 SER CA C 44 61.764 61.764 61.395 0.369 17603 3977 1 5 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.169 17603 3978 1 5 . 1 1 44 44 SER H H 44 7.895 7.895 8.146 -0.251 17603 3979 1 5 . 1 1 45 45 GLU N N 45 120.349 120.349 121.230 -0.881 17603 3980 1 5 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.042 0.065 17603 3981 1 5 . 1 1 45 45 GLU C C 45 179.336 179.336 179.148 0.188 17603 3982 1 5 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.997 -0.571 17603 3983 1 5 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.327 0.021 17603 3984 1 5 . 1 1 45 45 GLU H H 45 7.988 7.988 7.881 0.107 17603 3985 1 5 . 1 1 46 46 LEU N N 46 122.887 122.887 122.361 0.526 17603 3986 1 5 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.058 -0.120 17603 3987 1 5 . 1 1 46 46 LEU C C 46 177.291 177.291 178.303 -1.012 17603 3988 1 5 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.169 -0.520 17603 3989 1 5 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.660 -0.044 17603 3990 1 5 . 1 1 46 46 LEU H H 46 8.286 8.286 8.315 -0.029 17603 3991 1 5 . 1 1 47 47 ASP N N 47 120.418 120.418 119.881 0.537 17603 3992 1 5 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.486 0.274 17603 3993 1 5 . 1 1 47 47 ASP C C 47 180.926 180.926 179.126 1.800 17603 3994 1 5 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.415 -0.097 17603 3995 1 5 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.250 -0.221 17603 3996 1 5 . 1 1 47 47 ASP H H 47 8.553 8.553 8.423 0.130 17603 3997 1 5 . 1 1 48 48 LYS N N 48 120.743 120.743 120.000 0.743 17603 3998 1 5 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.061 -0.058 17603 3999 1 5 . 1 1 48 48 LYS C C 48 178.198 178.198 178.304 -0.106 17603 4000 1 5 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.867 0.314 17603 4001 1 5 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.592 0.112 17603 4002 1 5 . 1 1 48 48 LYS H H 48 7.747 7.747 7.929 -0.182 17603 4003 1 5 . 1 1 49 49 ALA N N 49 121.258 121.258 121.920 -0.662 17603 4004 1 5 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.216 -0.060 17603 4005 1 5 . 1 1 49 49 ALA C C 49 179.386 179.386 179.193 0.193 17603 4006 1 5 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.549 -0.077 17603 4007 1 5 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.967 -0.733 17603 4008 1 5 . 1 1 49 49 ALA H H 49 7.925 7.925 7.962 -0.037 17603 4009 1 5 . 1 1 50 50 ILE N N 50 114.806 114.806 115.941 -1.135 17603 4010 1 5 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.045 0.033 17603 4011 1 5 . 1 1 50 50 ILE C C 50 177.205 177.205 177.206 -0.001 17603 4012 1 5 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.042 -1.940 17603 4013 1 5 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.418 -1.124 17603 4014 1 5 . 1 1 50 50 ILE H H 50 8.323 8.323 7.707 0.616 17603 4015 1 5 . 1 1 51 51 GLY N N 51 109.238 109.238 109.788 -0.550 17603 4016 1 5 . 1 1 51 51 GLY C C 51 173.771 173.771 173.775 -0.004 17603 4017 1 5 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.153 0.769 17603 4018 1 5 . 1 1 51 51 GLY H H 51 8.340 8.340 8.377 -0.037 17603 4019 1 5 . 1 1 52 52 ARG N N 52 115.526 115.526 116.553 -1.027 17603 4020 1 5 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.521 0.036 17603 4021 1 5 . 1 1 52 52 ARG C C 52 172.391 172.391 173.392 -1.001 17603 4022 1 5 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.813 0.267 17603 4023 1 5 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.305 -0.098 17603 4024 1 5 . 1 1 52 52 ARG H H 52 7.656 7.656 7.629 0.027 17603 4025 1 5 . 1 1 53 53 ASN N N 53 115.684 115.684 120.468 -4.784 17603 4026 1 5 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.946 -0.250 17603 4027 1 5 . 1 1 53 53 ASN C C 53 175.491 175.491 174.993 0.498 17603 4028 1 5 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.822 0.329 17603 4029 1 5 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.030 17603 4030 1 5 . 1 1 53 53 ASN H H 53 8.241 8.241 8.685 -0.444 17603 4031 1 5 . 1 1 54 54 THR N N 54 119.609 119.609 118.027 1.582 17603 4032 1 5 . 1 1 54 54 THR HA H 54 4.300 4.300 4.495 -0.195 17603 4033 1 5 . 1 1 54 54 THR C C 54 177.264 177.264 174.676 2.588 17603 4034 1 5 . 1 1 54 54 THR CA C 54 63.701 63.701 60.887 2.814 17603 4035 1 5 . 1 1 54 54 THR CB C 54 70.615 70.615 70.619 -0.004 17603 4036 1 5 . 1 1 54 54 THR H H 54 9.034 9.034 8.765 0.269 17603 4037 1 5 . 1 1 55 55 ASN N N 55 120.027 120.027 118.451 1.576 17603 4038 1 5 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.692 -0.308 17603 4039 1 5 . 1 1 55 55 ASN C C 55 175.774 175.774 175.672 0.102 17603 4040 1 5 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.032 2.394 17603 4041 1 5 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.716 -0.071 17603 4042 1 5 . 1 1 55 55 ASN H H 55 9.426 9.426 8.340 1.086 17603 4043 1 5 . 1 1 56 56 GLY N N 56 103.056 103.056 108.258 -5.202 17603 4044 1 5 . 1 1 56 56 GLY C C 56 172.072 172.072 172.905 -0.833 17603 4045 1 5 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.167 0.019 17603 4046 1 5 . 1 1 56 56 GLY H H 56 8.662 8.662 7.801 0.861 17603 4047 1 5 . 1 1 57 57 VAL N N 57 119.999 119.999 118.572 1.427 17603 4048 1 5 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.290 -0.161 17603 4049 1 5 . 1 1 57 57 VAL C C 57 174.971 174.971 174.879 0.092 17603 4050 1 5 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.690 1.331 17603 4051 1 5 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.642 0.529 17603 4052 1 5 . 1 1 57 57 VAL H H 57 7.444 7.444 7.421 0.023 17603 4053 1 5 . 1 1 58 58 ILE N N 58 116.746 116.746 121.350 -4.604 17603 4054 1 5 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.091 -0.245 17603 4055 1 5 . 1 1 58 58 ILE C C 58 175.376 175.376 175.214 0.162 17603 4056 1 5 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.912 0.727 17603 4057 1 5 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.922 -0.049 17603 4058 1 5 . 1 1 58 58 ILE H H 58 8.562 8.562 9.073 -0.511 17603 4059 1 5 . 1 1 59 59 THR N N 59 109.208 109.208 112.607 -3.399 17603 4060 1 5 . 1 1 59 59 THR HA H 59 4.632 4.632 4.660 -0.028 17603 4061 1 5 . 1 1 59 59 THR C C 59 176.431 176.431 174.811 1.620 17603 4062 1 5 . 1 1 59 59 THR CA C 59 59.899 59.899 60.182 -0.283 17603 4063 1 5 . 1 1 59 59 THR CB C 59 71.419 71.419 70.281 1.139 17603 4064 1 5 . 1 1 59 59 THR H H 59 8.682 8.682 9.056 -0.374 17603 4065 1 5 . 1 1 60 60 LYS N N 60 121.442 121.442 121.687 -0.245 17603 4066 1 5 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.957 -0.118 17603 4067 1 5 . 1 1 60 60 LYS C C 60 178.238 178.238 178.332 -0.094 17603 4068 1 5 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.459 0.304 17603 4069 1 5 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.267 -0.251 17603 4070 1 5 . 1 1 60 60 LYS H H 60 9.097 9.097 8.817 0.280 17603 4071 1 5 . 1 1 61 61 ASP N N 61 117.513 117.513 118.394 -0.881 17603 4072 1 5 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.408 -0.041 17603 4073 1 5 . 1 1 61 61 ASP C C 61 179.613 179.613 179.020 0.593 17603 4074 1 5 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.524 -0.169 17603 4075 1 5 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.177 0.344 17603 4076 1 5 . 1 1 61 61 ASP H H 61 8.234 8.234 8.535 -0.301 17603 4077 1 5 . 1 1 62 62 GLU N N 62 121.613 121.613 120.192 1.421 17603 4078 1 5 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.065 -0.176 17603 4079 1 5 . 1 1 62 62 GLU C C 62 178.900 178.900 178.821 0.079 17603 4080 1 5 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.108 -0.058 17603 4081 1 5 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.590 -0.107 17603 4082 1 5 . 1 1 62 62 GLU H H 62 7.725 7.725 7.890 -0.165 17603 4083 1 5 . 1 1 63 63 ALA N N 63 121.265 121.265 122.792 -1.527 17603 4084 1 5 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.949 -0.065 17603 4085 1 5 . 1 1 63 63 ALA C C 63 180.712 180.712 179.762 0.950 17603 4086 1 5 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.686 -0.584 17603 4087 1 5 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.397 0.094 17603 4088 1 5 . 1 1 63 63 ALA H H 63 8.500 8.500 8.395 0.105 17603 4089 1 5 . 1 1 64 64 GLU N N 64 120.135 120.135 118.216 1.919 17603 4090 1 5 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.186 -0.092 17603 4091 1 5 . 1 1 64 64 GLU C C 64 177.848 177.848 178.924 -1.076 17603 4092 1 5 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.418 0.339 17603 4093 1 5 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.631 -0.518 17603 4094 1 5 . 1 1 64 64 GLU H H 64 8.412 8.412 8.388 0.024 17603 4095 1 5 . 1 1 65 65 LYS N N 65 122.023 122.023 121.369 0.654 17603 4096 1 5 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.096 0.056 17603 4097 1 5 . 1 1 65 65 LYS C C 65 179.601 179.601 179.008 0.593 17603 4098 1 5 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.642 0.476 17603 4099 1 5 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.414 -0.094 17603 4100 1 5 . 1 1 65 65 LYS H H 65 7.853 7.853 8.006 -0.153 17603 4101 1 5 . 1 1 66 66 LEU N N 66 118.739 118.739 119.314 -0.575 17603 4102 1 5 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.936 -0.003 17603 4103 1 5 . 1 1 66 66 LEU C C 66 177.920 177.920 179.109 -1.189 17603 4104 1 5 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.909 -0.407 17603 4105 1 5 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.593 0.787 17603 4106 1 5 . 1 1 66 66 LEU H H 66 7.822 7.822 8.099 -0.277 17603 4107 1 5 . 1 1 67 67 PHE N N 67 119.050 119.050 120.249 -1.199 17603 4108 1 5 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.282 0.913 17603 4109 1 5 . 1 1 67 67 PHE C C 67 177.421 177.421 177.545 -0.124 17603 4110 1 5 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.898 -0.965 17603 4111 1 5 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.951 1.024 17603 4112 1 5 . 1 1 67 67 PHE H H 67 8.075 8.075 8.466 -0.391 17603 4113 1 5 . 1 1 68 68 ASN N N 68 118.041 118.041 117.401 0.640 17603 4114 1 5 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.365 -0.116 17603 4115 1 5 . 1 1 68 68 ASN C C 68 178.777 178.777 177.572 1.205 17603 4116 1 5 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.539 0.519 17603 4117 1 5 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.598 -0.107 17603 4118 1 5 . 1 1 68 68 ASN H H 68 8.505 8.505 8.571 -0.066 17603 4119 1 5 . 1 1 69 69 GLN N N 69 118.812 118.812 119.180 -0.368 17603 4120 1 5 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.993 0.186 17603 4121 1 5 . 1 1 69 69 GLN C C 69 178.938 178.938 178.444 0.494 17603 4122 1 5 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.155 -0.266 17603 4123 1 5 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.708 -0.156 17603 4124 1 5 . 1 1 69 69 GLN H H 69 7.763 7.763 8.090 -0.327 17603 4125 1 5 . 1 1 70 70 ASP N N 70 123.281 123.281 120.939 2.342 17603 4126 1 5 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.438 0.061 17603 4127 1 5 . 1 1 70 70 ASP C C 70 180.101 180.101 178.970 1.131 17603 4128 1 5 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.354 -0.312 17603 4129 1 5 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.527 -0.087 17603 4130 1 5 . 1 1 70 70 ASP H H 70 8.757 8.757 8.464 0.293 17603 4131 1 5 . 1 1 71 71 VAL N N 71 125.532 125.532 120.750 4.782 17603 4132 1 5 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.478 0.118 17603 4133 1 5 . 1 1 71 71 VAL C C 71 177.160 177.160 177.554 -0.394 17603 4134 1 5 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.758 1.251 17603 4135 1 5 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.257 0.326 17603 4136 1 5 . 1 1 71 71 VAL H H 71 9.015 9.015 8.356 0.659 17603 4137 1 5 . 1 1 72 72 ASP N N 72 119.221 119.221 119.973 -0.752 17603 4138 1 5 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.241 0.121 17603 4139 1 5 . 1 1 72 72 ASP C C 72 178.561 178.561 178.176 0.385 17603 4140 1 5 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.303 0.020 17603 4141 1 5 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.082 1.001 17603 4142 1 5 . 1 1 72 72 ASP H H 72 7.599 7.599 8.139 -0.540 17603 4143 1 5 . 1 1 73 73 ALA N N 73 120.038 120.038 121.697 -1.659 17603 4144 1 5 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.025 -0.026 17603 4145 1 5 . 1 1 73 73 ALA C C 73 180.491 180.491 179.547 0.944 17603 4146 1 5 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.051 0.035 17603 4147 1 5 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.196 0.326 17603 4148 1 5 . 1 1 73 73 ALA H H 73 8.276 8.276 8.245 0.031 17603 4149 1 5 . 1 1 74 74 ALA N N 74 123.435 123.435 121.952 1.483 17603 4150 1 5 . 1 1 74 74 ALA HA H 74 4.163 4.163 4.010 0.153 17603 4151 1 5 . 1 1 74 74 ALA C C 74 178.997 178.997 179.567 -0.570 17603 4152 1 5 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.809 0.018 17603 4153 1 5 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.452 -0.022 17603 4154 1 5 . 1 1 74 74 ALA H H 74 7.925 7.925 7.712 0.213 17603 4155 1 5 . 1 1 75 75 VAL N N 75 118.091 118.091 119.052 -0.961 17603 4156 1 5 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.260 -0.029 17603 4157 1 5 . 1 1 75 75 VAL C C 75 178.108 178.108 177.966 0.142 17603 4158 1 5 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.943 0.099 17603 4159 1 5 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.481 0.357 17603 4160 1 5 . 1 1 75 75 VAL H H 75 8.141 8.141 7.883 0.258 17603 4161 1 5 . 1 1 76 76 ARG N N 76 117.779 117.779 119.357 -1.578 17603 4162 1 5 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.891 -0.090 17603 4163 1 5 . 1 1 76 76 ARG C C 76 178.816 178.816 178.912 -0.096 17603 4164 1 5 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.965 -0.053 17603 4165 1 5 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.819 0.407 17603 4166 1 5 . 1 1 76 76 ARG H H 76 8.358 8.358 8.659 -0.301 17603 4167 1 5 . 1 1 77 77 GLY N N 77 105.669 105.669 107.259 -1.590 17603 4168 1 5 . 1 1 77 77 GLY C C 77 176.097 176.097 175.780 0.317 17603 4169 1 5 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.719 -0.045 17603 4170 1 5 . 1 1 77 77 GLY H H 77 7.999 7.999 8.113 -0.114 17603 4171 1 5 . 1 1 78 78 ILE N N 78 122.001 122.001 122.047 -0.046 17603 4172 1 5 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.693 -0.050 17603 4173 1 5 . 1 1 78 78 ILE C C 78 177.194 177.194 178.270 -1.076 17603 4174 1 5 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.711 0.511 17603 4175 1 5 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.878 0.084 17603 4176 1 5 . 1 1 78 78 ILE H H 78 7.579 7.579 7.739 -0.160 17603 4177 1 5 . 1 1 79 79 LEU N N 79 115.459 115.459 117.800 -2.341 17603 4178 1 5 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.022 -0.262 17603 4179 1 5 . 1 1 79 79 LEU C C 79 178.673 178.673 178.116 0.557 17603 4180 1 5 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.955 0.262 17603 4181 1 5 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.626 -0.182 17603 4182 1 5 . 1 1 79 79 LEU H H 79 7.929 7.929 8.035 -0.106 17603 4183 1 5 . 1 1 80 80 ARG N N 80 114.830 114.830 114.610 0.220 17603 4184 1 5 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.314 -0.058 17603 4185 1 5 . 1 1 80 80 ARG C C 80 175.076 175.076 175.792 -0.716 17603 4186 1 5 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.147 -0.118 17603 4187 1 5 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.604 -0.229 17603 4188 1 5 . 1 1 80 80 ARG H H 80 7.680 7.680 7.644 0.036 17603 4189 1 5 . 1 1 81 81 ASN N N 81 120.935 120.935 118.734 2.201 17603 4190 1 5 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.798 -0.039 17603 4191 1 5 . 1 1 81 81 ASN C C 81 174.612 174.612 175.223 -0.611 17603 4192 1 5 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.296 0.218 17603 4193 1 5 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.308 -0.509 17603 4194 1 5 . 1 1 81 81 ASN H H 81 7.516 7.516 7.509 0.007 17603 4195 1 5 . 1 1 82 82 ALA N N 82 128.007 128.007 129.609 -1.602 17603 4196 1 5 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.172 -0.100 17603 4197 1 5 . 1 1 82 82 ALA C C 82 178.837 178.837 178.571 0.266 17603 4198 1 5 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.562 0.323 17603 4199 1 5 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.834 0.143 17603 4200 1 5 . 1 1 82 82 ALA H H 82 8.784 8.784 8.975 -0.191 17603 4201 1 5 . 1 1 83 83 LYS N N 83 114.232 114.232 117.397 -3.165 17603 4202 1 5 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.244 -0.013 17603 4203 1 5 . 1 1 83 83 LYS C C 83 177.362 177.362 178.651 -1.289 17603 4204 1 5 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.559 -0.994 17603 4205 1 5 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.981 -0.178 17603 4206 1 5 . 1 1 83 83 LYS H H 83 8.075 8.075 8.217 -0.142 17603 4207 1 5 . 1 1 84 84 LEU N N 84 115.899 115.899 120.344 -4.445 17603 4208 1 5 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.204 -0.025 17603 4209 1 5 . 1 1 84 84 LEU C C 84 178.322 178.322 178.267 0.055 17603 4210 1 5 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.239 -0.608 17603 4211 1 5 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.104 0.829 17603 4212 1 5 . 1 1 84 84 LEU H H 84 7.422 7.422 8.473 -1.051 17603 4213 1 5 . 1 1 85 85 LYS N N 85 120.723 120.723 120.633 0.090 17603 4214 1 5 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.015 0.521 17603 4215 1 5 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.498 -0.535 17603 4216 1 5 . 1 1 85 85 LYS H H 85 8.407 8.407 8.403 0.004 17603 4217 1 5 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.329 0.132 17603 4218 1 5 . 1 1 86 86 PRO C C 86 180.075 180.075 179.209 0.866 17603 4219 1 5 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.826 0.019 17603 4220 1 5 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.135 -0.328 17603 4221 1 5 . 1 1 87 87 VAL N N 87 116.002 116.002 118.694 -2.692 17603 4222 1 5 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.770 0.020 17603 4223 1 5 . 1 1 87 87 VAL C C 87 178.477 178.477 178.273 0.204 17603 4224 1 5 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.296 -0.864 17603 4225 1 5 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.797 -0.300 17603 4226 1 5 . 1 1 87 87 VAL H H 87 6.903 6.903 7.293 -0.390 17603 4227 1 5 . 1 1 88 88 TYR N N 88 123.146 123.146 121.217 1.929 17603 4228 1 5 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.133 -0.196 17603 4229 1 5 . 1 1 88 88 TYR C C 88 177.346 177.346 178.206 -0.860 17603 4230 1 5 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.986 1.026 17603 4231 1 5 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.413 1.282 17603 4232 1 5 . 1 1 88 88 TYR H H 88 8.454 8.454 8.705 -0.251 17603 4233 1 5 . 1 1 89 89 ASP N N 89 117.059 117.059 117.613 -0.554 17603 4234 1 5 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.359 -0.051 17603 4235 1 5 . 1 1 89 89 ASP C C 89 178.136 178.136 178.433 -0.297 17603 4236 1 5 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.284 -0.659 17603 4237 1 5 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.155 0.431 17603 4238 1 5 . 1 1 89 89 ASP H H 89 9.057 9.057 8.926 0.131 17603 4239 1 5 . 1 1 90 90 SER N N 90 113.398 113.398 114.058 -0.660 17603 4240 1 5 . 1 1 90 90 SER HA H 90 4.435 4.435 4.341 0.094 17603 4241 1 5 . 1 1 90 90 SER C C 90 174.464 174.464 175.023 -0.559 17603 4242 1 5 . 1 1 90 90 SER CA C 90 59.549 59.549 59.552 -0.003 17603 4243 1 5 . 1 1 90 90 SER CB C 90 64.598 64.598 63.449 1.149 17603 4244 1 5 . 1 1 90 90 SER H H 90 7.385 7.385 7.644 -0.259 17603 4245 1 5 . 1 1 91 91 LEU N N 91 123.580 123.580 123.678 -0.098 17603 4246 1 5 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.510 -0.097 17603 4247 1 5 . 1 1 91 91 LEU C C 91 176.375 176.375 176.800 -0.425 17603 4248 1 5 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.002 1.068 17603 4249 1 5 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.129 -0.319 17603 4250 1 5 . 1 1 91 91 LEU H H 91 7.477 7.477 7.359 0.118 17603 4251 1 5 . 1 1 92 92 ASP N N 92 116.218 116.218 121.991 -5.773 17603 4252 1 5 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.478 0.088 17603 4253 1 5 . 1 1 92 92 ASP C C 92 175.360 175.360 176.712 -1.352 17603 4254 1 5 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.965 -1.377 17603 4255 1 5 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.149 0.691 17603 4256 1 5 . 1 1 92 92 ASP H H 92 7.440 7.440 8.453 -1.013 17603 4257 1 5 . 1 1 93 93 ALA N N 93 119.801 119.801 122.081 -2.280 17603 4258 1 5 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.041 -0.301 17603 4259 1 5 . 1 1 93 93 ALA C C 93 179.894 179.894 179.748 0.146 17603 4260 1 5 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.813 1.416 17603 4261 1 5 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.857 0.452 17603 4262 1 5 . 1 1 93 93 ALA H H 93 8.682 8.682 8.537 0.145 17603 4263 1 5 . 1 1 94 94 VAL N N 94 118.735 118.735 118.185 0.550 17603 4264 1 5 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.232 -0.203 17603 4265 1 5 . 1 1 94 94 VAL C C 94 177.116 177.116 177.849 -0.733 17603 4266 1 5 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.780 -0.062 17603 4267 1 5 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.139 -0.199 17603 4268 1 5 . 1 1 94 94 VAL H H 94 7.580 7.580 7.584 -0.004 17603 4269 1 5 . 1 1 95 95 ARG N N 95 119.108 119.108 118.643 0.465 17603 4270 1 5 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.652 -0.372 17603 4271 1 5 . 1 1 95 95 ARG C C 95 178.366 178.366 178.728 -0.362 17603 4272 1 5 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.394 1.020 17603 4273 1 5 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.965 0.458 17603 4274 1 5 . 1 1 95 95 ARG H H 95 7.729 7.729 8.086 -0.357 17603 4275 1 5 . 1 1 96 96 ARG N N 96 118.307 118.307 119.579 -1.272 17603 4276 1 5 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.976 -0.322 17603 4277 1 5 . 1 1 96 96 ARG C C 96 177.841 177.841 178.393 -0.552 17603 4278 1 5 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.391 1.267 17603 4279 1 5 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.690 0.821 17603 4280 1 5 . 1 1 96 96 ARG H H 96 8.638 8.638 8.390 0.248 17603 4281 1 5 . 1 1 97 97 ALA N N 97 120.196 120.196 121.256 -1.060 17603 4282 1 5 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.006 -0.019 17603 4283 1 5 . 1 1 97 97 ALA C C 97 178.768 178.768 178.964 -0.196 17603 4284 1 5 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.023 0.211 17603 4285 1 5 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.260 -0.006 17603 4286 1 5 . 1 1 97 97 ALA H H 97 7.019 7.019 7.435 -0.416 17603 4287 1 5 . 1 1 98 98 ALA N N 98 119.143 119.143 120.928 -1.785 17603 4288 1 5 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.753 -0.181 17603 4289 1 5 . 1 1 98 98 ALA C C 98 177.328 177.328 179.114 -1.786 17603 4290 1 5 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.476 0.961 17603 4291 1 5 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.546 -1.653 17603 4292 1 5 . 1 1 98 98 ALA H H 98 7.097 7.097 7.181 -0.084 17603 4293 1 5 . 1 1 99 99 ALA N N 99 119.971 119.971 121.659 -1.688 17603 4294 1 5 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.123 -0.527 17603 4295 1 5 . 1 1 99 99 ALA C C 99 178.026 178.026 179.728 -1.702 17603 4296 1 5 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.109 0.275 17603 4297 1 5 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.620 -0.203 17603 4298 1 5 . 1 1 99 99 ALA H H 99 7.665 7.665 7.646 0.019 17603 4299 1 5 . 1 1 100 100 ILE N N 100 116.372 116.372 117.254 -0.882 17603 4300 1 5 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.715 -0.383 17603 4301 1 5 . 1 1 100 100 ILE C C 100 177.103 177.103 177.167 -0.064 17603 4302 1 5 . 1 1 100 100 ILE CA C 100 64.658 64.658 64.863 -0.205 17603 4303 1 5 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.743 -0.732 17603 4304 1 5 . 1 1 100 100 ILE H H 100 8.110 8.110 8.195 -0.085 17603 4305 1 5 . 1 1 101 101 ASN N N 101 116.550 116.550 116.966 -0.416 17603 4306 1 5 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.619 -0.732 17603 4307 1 5 . 1 1 101 101 ASN C C 101 177.350 177.350 177.836 -0.486 17603 4308 1 5 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.304 1.792 17603 4309 1 5 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.947 -0.025 17603 4310 1 5 . 1 1 101 101 ASN H H 101 8.098 8.098 7.554 0.544 17603 4311 1 5 . 1 1 102 102 MET N N 102 114.177 114.177 117.775 -3.598 17603 4312 1 5 . 1 1 102 102 MET HA H 102 3.746 3.746 4.200 -0.454 17603 4313 1 5 . 1 1 102 102 MET C C 102 177.507 177.507 176.510 0.997 17603 4314 1 5 . 1 1 102 102 MET CA C 102 60.473 60.473 56.575 3.898 17603 4315 1 5 . 1 1 102 102 MET CB C 102 33.218 33.218 31.973 1.245 17603 4316 1 5 . 1 1 102 102 MET H H 102 7.647 7.647 7.888 -0.241 17603 4317 1 5 . 1 1 103 103 VAL N N 103 107.836 107.836 109.181 -1.345 17603 4318 1 5 . 1 1 103 103 VAL HA H 103 4.198 4.198 4.369 -0.171 17603 4319 1 5 . 1 1 103 103 VAL C C 103 175.893 175.893 174.999 0.894 17603 4320 1 5 . 1 1 103 103 VAL CA C 103 60.939 60.939 59.803 1.136 17603 4321 1 5 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.565 -1.467 17603 4322 1 5 . 1 1 103 103 VAL H H 103 7.332 7.332 7.239 0.093 17603 4323 1 5 . 1 1 104 104 PHE N N 104 125.985 125.985 124.303 1.682 17603 4324 1 5 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.458 -0.351 17603 4325 1 5 . 1 1 104 104 PHE C C 104 176.884 176.884 174.801 2.083 17603 4326 1 5 . 1 1 104 104 PHE CA C 104 60.915 60.915 57.968 2.947 17603 4327 1 5 . 1 1 104 104 PHE CB C 104 39.768 39.768 37.592 2.176 17603 4328 1 5 . 1 1 104 104 PHE H H 104 7.978 7.978 7.346 0.632 17603 4329 1 5 . 1 1 105 105 GLN N N 105 120.302 120.302 120.057 0.245 17603 4330 1 5 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.756 -0.246 17603 4331 1 5 . 1 1 105 105 GLN C C 105 174.976 174.976 175.390 -0.414 17603 4332 1 5 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.424 1.306 17603 4333 1 5 . 1 1 105 105 GLN CB C 105 27.304 27.304 26.619 0.685 17603 4334 1 5 . 1 1 105 105 GLN H H 105 8.448 8.448 8.243 0.205 17603 4335 1 5 . 1 1 106 106 MET N N 106 117.189 117.189 118.495 -1.306 17603 4336 1 5 . 1 1 106 106 MET HA H 106 4.184 4.184 3.993 0.191 17603 4337 1 5 . 1 1 106 106 MET C C 106 176.961 176.961 176.184 0.777 17603 4338 1 5 . 1 1 106 106 MET CA C 106 54.873 54.873 55.942 -1.069 17603 4339 1 5 . 1 1 106 106 MET CB C 106 30.057 30.057 32.755 -2.698 17603 4340 1 5 . 1 1 106 106 MET H H 106 8.987 8.987 7.873 1.114 17603 4341 1 5 . 1 1 107 107 GLY N N 107 107.787 107.787 105.154 2.633 17603 4342 1 5 . 1 1 107 107 GLY C C 107 174.999 174.999 174.341 0.658 17603 4343 1 5 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.161 2.058 17603 4344 1 5 . 1 1 107 107 GLY H H 107 7.777 7.777 7.286 0.491 17603 4345 1 5 . 1 1 108 108 GLU N N 108 123.604 123.604 120.719 2.885 17603 4346 1 5 . 1 1 108 108 GLU HA H 108 3.984 3.984 3.903 0.081 17603 4347 1 5 . 1 1 108 108 GLU C C 108 179.574 179.574 178.380 1.194 17603 4348 1 5 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.716 0.228 17603 4349 1 5 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.608 0.331 17603 4350 1 5 . 1 1 108 108 GLU H H 108 8.779 8.779 8.837 -0.058 17603 4351 1 5 . 1 1 109 109 THR N N 109 111.822 111.822 115.025 -3.203 17603 4352 1 5 . 1 1 109 109 THR HA H 109 4.176 4.176 4.166 0.010 17603 4353 1 5 . 1 1 109 109 THR C C 109 178.459 178.459 176.493 1.966 17603 4354 1 5 . 1 1 109 109 THR CA C 109 65.535 65.535 66.926 -1.391 17603 4355 1 5 . 1 1 109 109 THR CB C 109 67.945 67.945 68.183 -0.238 17603 4356 1 5 . 1 1 109 109 THR H H 109 8.576 8.576 8.291 0.285 17603 4357 1 5 . 1 1 110 110 GLY N N 110 115.113 115.113 109.897 5.216 17603 4358 1 5 . 1 1 110 110 GLY C C 110 175.653 175.653 175.933 -0.280 17603 4359 1 5 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.657 0.560 17603 4360 1 5 . 1 1 110 110 GLY H H 110 8.521 8.521 8.094 0.427 17603 4361 1 5 . 1 1 111 111 VAL N N 111 120.852 120.852 123.231 -2.379 17603 4362 1 5 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.673 -0.152 17603 4363 1 5 . 1 1 111 111 VAL C C 111 179.689 179.689 178.122 1.567 17603 4364 1 5 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.369 0.685 17603 4365 1 5 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.788 0.045 17603 4366 1 5 . 1 1 111 111 VAL H H 111 8.048 8.048 8.304 -0.256 17603 4367 1 5 . 1 1 112 112 ALA N N 112 124.525 124.525 121.530 2.995 17603 4368 1 5 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.154 -0.012 17603 4369 1 5 . 1 1 112 112 ALA C C 112 179.412 179.412 179.292 0.120 17603 4370 1 5 . 1 1 112 112 ALA CA C 112 55.423 55.423 54.631 0.792 17603 4371 1 5 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.384 -0.126 17603 4372 1 5 . 1 1 112 112 ALA H H 112 8.255 8.255 8.139 0.116 17603 4373 1 5 . 1 1 113 113 ALA N N 113 120.490 120.490 121.727 -1.237 17603 4374 1 5 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.153 0.029 17603 4375 1 5 . 1 1 113 113 ALA C C 113 179.965 179.965 179.150 0.815 17603 4376 1 5 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.861 0.109 17603 4377 1 5 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.476 -0.413 17603 4378 1 5 . 1 1 113 113 ALA H H 113 7.861 7.861 7.951 -0.090 17603 4379 1 5 . 1 1 114 114 PHE N N 114 120.157 120.157 118.053 2.104 17603 4380 1 5 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.229 -0.172 17603 4381 1 5 . 1 1 114 114 PHE C C 114 177.765 177.765 177.822 -0.057 17603 4382 1 5 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.283 -0.350 17603 4383 1 5 . 1 1 114 114 PHE CB C 114 39.124 39.124 39.051 0.073 17603 4384 1 5 . 1 1 114 114 PHE H H 114 8.126 8.126 8.349 -0.223 17603 4385 1 5 . 1 1 115 115 THR N N 115 114.478 114.478 116.432 -1.954 17603 4386 1 5 . 1 1 115 115 THR HA H 115 3.470 3.470 3.785 -0.315 17603 4387 1 5 . 1 1 115 115 THR C C 115 176.924 176.924 176.800 0.124 17603 4388 1 5 . 1 1 115 115 THR CA C 115 67.000 67.000 67.100 -0.100 17603 4389 1 5 . 1 1 115 115 THR CB C 115 68.320 68.320 68.348 -0.028 17603 4390 1 5 . 1 1 115 115 THR H H 115 8.504 8.504 8.436 0.068 17603 4391 1 5 . 1 1 116 116 ASN N N 116 119.632 119.632 119.338 0.294 17603 4392 1 5 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.529 -0.029 17603 4393 1 5 . 1 1 116 116 ASN C C 116 176.009 176.009 176.343 -0.334 17603 4394 1 5 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.401 1.842 17603 4395 1 5 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.124 0.476 17603 4396 1 5 . 1 1 116 116 ASN H H 116 8.337 8.337 7.863 0.474 17603 4397 1 5 . 1 1 117 117 SER N N 117 112.765 112.765 113.597 -0.832 17603 4398 1 5 . 1 1 117 117 SER HA H 117 4.590 4.590 4.539 0.051 17603 4399 1 5 . 1 1 117 117 SER C C 117 174.808 174.808 174.576 0.232 17603 4400 1 5 . 1 1 117 117 SER CA C 117 59.470 59.470 58.699 0.771 17603 4401 1 5 . 1 1 117 117 SER CB C 117 64.474 64.474 63.780 0.694 17603 4402 1 5 . 1 1 117 117 SER H H 117 7.424 7.424 7.472 -0.048 17603 4403 1 5 . 1 1 118 118 LEU N N 118 122.210 122.210 122.766 -0.556 17603 4404 1 5 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.310 0.340 17603 4405 1 5 . 1 1 118 118 LEU H H 118 7.195 7.195 7.219 -0.024 17603 4406 1 5 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.106 0.176 17603 4407 1 5 . 1 1 119 119 PRO C C 119 179.207 179.207 178.823 0.384 17603 4408 1 5 . 1 1 119 119 PRO CA C 119 66.239 66.239 66.199 0.040 17603 4409 1 5 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.283 -0.313 17603 4410 1 5 . 1 1 120 120 MET N N 120 112.465 112.465 115.175 -2.710 17603 4411 1 5 . 1 1 120 120 MET HA H 120 4.005 4.005 4.163 -0.158 17603 4412 1 5 . 1 1 120 120 MET C C 120 178.137 178.137 178.451 -0.314 17603 4413 1 5 . 1 1 120 120 MET CA C 120 58.747 58.747 57.698 1.049 17603 4414 1 5 . 1 1 120 120 MET CB C 120 32.510 32.510 31.447 1.063 17603 4415 1 5 . 1 1 120 120 MET H H 120 7.126 7.126 7.438 -0.312 17603 4416 1 5 . 1 1 121 121 LEU N N 121 118.534 118.534 119.900 -1.366 17603 4417 1 5 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.940 -0.099 17603 4418 1 5 . 1 1 121 121 LEU C C 121 180.140 180.140 179.813 0.327 17603 4419 1 5 . 1 1 121 121 LEU CA C 121 57.379 57.379 57.978 -0.599 17603 4420 1 5 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.229 0.908 17603 4421 1 5 . 1 1 121 121 LEU H H 121 7.695 7.695 7.520 0.175 17603 4422 1 5 . 1 1 122 122 GLN N N 122 119.537 119.537 119.371 0.166 17603 4423 1 5 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.032 -0.170 17603 4424 1 5 . 1 1 122 122 GLN C C 122 176.722 176.722 177.816 -1.094 17603 4425 1 5 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.234 0.606 17603 4426 1 5 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.784 0.007 17603 4427 1 5 . 1 1 122 122 GLN H H 122 8.845 8.845 8.319 0.526 17603 4428 1 5 . 1 1 123 123 GLN N N 123 113.333 113.333 115.620 -2.287 17603 4429 1 5 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.209 -0.055 17603 4430 1 5 . 1 1 123 123 GLN C C 123 174.075 174.075 175.085 -1.010 17603 4431 1 5 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.559 -0.550 17603 4432 1 5 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.884 0.849 17603 4433 1 5 . 1 1 123 123 GLN H H 123 6.862 6.862 7.411 -0.549 17603 4434 1 5 . 1 1 124 124 LYS N N 124 114.431 114.431 114.508 -0.077 17603 4435 1 5 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.270 2.185 17603 4436 1 5 . 1 1 124 124 LYS C C 124 174.727 174.727 175.145 -0.418 17603 4437 1 5 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.411 0.038 17603 4438 1 5 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.822 -0.439 17603 4439 1 5 . 1 1 124 124 LYS H H 124 7.238 7.238 7.386 -0.148 17603 4440 1 5 . 1 1 125 125 ARG N N 125 119.411 119.411 118.686 0.725 17603 4441 1 5 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.181 0.079 17603 4442 1 5 . 1 1 125 125 ARG C C 125 177.251 177.251 176.351 0.900 17603 4443 1 5 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.548 -0.975 17603 4444 1 5 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.595 -0.383 17603 4445 1 5 . 1 1 125 125 ARG H H 125 7.651 7.651 7.855 -0.204 17603 4446 1 5 . 1 1 126 126 TRP N N 126 119.823 119.823 123.551 -3.728 17603 4447 1 5 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.261 0.061 17603 4448 1 5 . 1 1 126 126 TRP C C 126 178.830 178.830 177.723 1.107 17603 4449 1 5 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.457 -1.633 17603 4450 1 5 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.306 2.155 17603 4451 1 5 . 1 1 126 126 TRP H H 126 6.865 6.865 7.447 -0.582 17603 4452 1 5 . 1 1 127 127 ASP N N 127 116.894 116.894 117.699 -0.805 17603 4453 1 5 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.410 -0.010 17603 4454 1 5 . 1 1 127 127 ASP C C 127 178.748 178.748 178.545 0.203 17603 4455 1 5 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.993 -0.308 17603 4456 1 5 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.866 0.181 17603 4457 1 5 . 1 1 127 127 ASP H H 127 8.598 8.598 8.860 -0.262 17603 4458 1 5 . 1 1 128 128 GLU N N 128 120.788 120.788 120.310 0.478 17603 4459 1 5 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.031 -0.057 17603 4460 1 5 . 1 1 128 128 GLU C C 128 180.057 180.057 178.246 1.811 17603 4461 1 5 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.082 0.444 17603 4462 1 5 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.773 1.098 17603 4463 1 5 . 1 1 128 128 GLU H H 128 8.191 8.191 8.387 -0.196 17603 4464 1 5 . 1 1 129 129 ALA N N 129 122.103 122.103 122.493 -0.390 17603 4465 1 5 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.930 0.040 17603 4466 1 5 . 1 1 129 129 ALA C C 129 178.495 178.495 179.557 -1.062 17603 4467 1 5 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.258 -0.215 17603 4468 1 5 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.301 -0.530 17603 4469 1 5 . 1 1 129 129 ALA H H 129 8.587 8.587 8.597 -0.010 17603 4470 1 5 . 1 1 130 130 ALA N N 130 119.336 119.336 121.270 -1.934 17603 4471 1 5 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.956 0.087 17603 4472 1 5 . 1 1 130 130 ALA C C 130 179.804 179.804 179.678 0.126 17603 4473 1 5 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.189 0.629 17603 4474 1 5 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.490 0.406 17603 4475 1 5 . 1 1 130 130 ALA H H 130 8.235 8.235 8.094 0.141 17603 4476 1 5 . 1 1 131 131 VAL N N 131 118.685 118.685 118.565 0.120 17603 4477 1 5 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.428 0.151 17603 4478 1 5 . 1 1 131 131 VAL C C 131 178.078 178.078 178.321 -0.243 17603 4479 1 5 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.648 -0.329 17603 4480 1 5 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.522 0.613 17603 4481 1 5 . 1 1 131 131 VAL H H 131 7.697 7.697 8.200 -0.503 17603 4482 1 5 . 1 1 132 132 ASN N N 132 118.648 118.648 118.000 0.648 17603 4483 1 5 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.489 -0.228 17603 4484 1 5 . 1 1 132 132 ASN C C 132 178.965 178.965 178.529 0.436 17603 4485 1 5 . 1 1 132 132 ASN CA C 132 57.172 57.172 55.719 1.453 17603 4486 1 5 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.199 1.599 17603 4487 1 5 . 1 1 132 132 ASN H H 132 7.569 7.569 8.081 -0.512 17603 4488 1 5 . 1 1 133 133 LEU N N 133 120.750 120.750 120.860 -0.110 17603 4489 1 5 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.254 -0.028 17603 4490 1 5 . 1 1 133 133 LEU C C 133 179.956 179.956 178.814 1.142 17603 4491 1 5 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.522 0.555 17603 4492 1 5 . 1 1 133 133 LEU CB C 133 44.013 44.013 41.903 2.110 17603 4493 1 5 . 1 1 133 133 LEU H H 133 8.903 8.903 8.460 0.443 17603 4494 1 5 . 1 1 134 134 ALA N N 134 121.339 121.339 119.939 1.400 17603 4495 1 5 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.563 0.089 17603 4496 1 5 . 1 1 134 134 ALA C C 134 176.582 176.582 177.482 -0.900 17603 4497 1 5 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.647 -0.452 17603 4498 1 5 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.023 -0.487 17603 4499 1 5 . 1 1 134 134 ALA H H 134 7.681 7.681 7.922 -0.241 17603 4500 1 5 . 1 1 135 135 LYS N N 135 116.197 116.197 117.015 -0.818 17603 4501 1 5 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.298 0.072 17603 4502 1 5 . 1 1 135 135 LYS C C 135 176.573 176.573 176.641 -0.068 17603 4503 1 5 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.824 -0.260 17603 4504 1 5 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.629 0.067 17603 4505 1 5 . 1 1 135 135 LYS H H 135 7.168 7.168 7.494 -0.326 17603 4506 1 5 . 1 1 136 136 SER N N 136 115.115 115.115 114.981 0.134 17603 4507 1 5 . 1 1 136 136 SER HA H 136 4.503 4.503 4.494 0.009 17603 4508 1 5 . 1 1 136 136 SER C C 136 174.968 174.968 175.605 -0.637 17603 4509 1 5 . 1 1 136 136 SER CA C 136 58.565 58.565 57.669 0.896 17603 4510 1 5 . 1 1 136 136 SER CB C 136 66.690 66.690 65.506 1.184 17603 4511 1 5 . 1 1 136 136 SER H H 136 7.546 7.546 7.726 -0.180 17603 4512 1 5 . 1 1 137 137 ARG N N 137 122.827 122.827 122.326 0.501 17603 4513 1 5 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.214 -0.017 17603 4514 1 5 . 1 1 137 137 ARG C C 137 178.570 178.570 178.324 0.246 17603 4515 1 5 . 1 1 137 137 ARG CA C 137 59.338 59.338 59.727 -0.390 17603 4516 1 5 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.243 -0.451 17603 4517 1 5 . 1 1 137 137 ARG H H 137 8.786 8.786 9.071 -0.285 17603 4518 1 5 . 1 1 138 138 TRP N N 138 119.297 119.297 120.789 -1.492 17603 4519 1 5 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.454 -0.376 17603 4520 1 5 . 1 1 138 138 TRP C C 138 176.101 176.101 177.640 -1.539 17603 4521 1 5 . 1 1 138 138 TRP CA C 138 61.807 61.807 58.946 2.861 17603 4522 1 5 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.498 -0.723 17603 4523 1 5 . 1 1 138 138 TRP H H 138 8.256 8.256 7.977 0.279 17603 4524 1 5 . 1 1 139 139 TYR N N 139 117.950 117.950 121.114 -3.164 17603 4525 1 5 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.953 -0.837 17603 4526 1 5 . 1 1 139 139 TYR C C 139 175.615 175.615 177.583 -1.968 17603 4527 1 5 . 1 1 139 139 TYR CA C 139 60.801 60.801 62.187 -1.386 17603 4528 1 5 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.346 0.471 17603 4529 1 5 . 1 1 139 139 TYR H H 139 7.786 7.786 7.935 -0.149 17603 4530 1 5 . 1 1 140 140 ASN N N 140 111.511 111.511 115.952 -4.441 17603 4531 1 5 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.387 -0.136 17603 4532 1 5 . 1 1 140 140 ASN C C 140 176.804 176.804 177.051 -0.247 17603 4533 1 5 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.401 -0.042 17603 4534 1 5 . 1 1 140 140 ASN CB C 140 39.590 39.590 37.926 1.664 17603 4535 1 5 . 1 1 140 140 ASN H H 140 7.115 7.115 7.845 -0.730 17603 4536 1 5 . 1 1 141 141 GLN N N 141 117.466 117.466 119.525 -2.059 17603 4537 1 5 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.081 0.032 17603 4538 1 5 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.499 0.230 17603 4539 1 5 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.370 0.277 17603 4540 1 5 . 1 1 141 141 GLN H H 141 7.855 7.855 7.560 0.295 17603 4541 1 5 . 1 1 142 142 THR N N 142 110.630 110.630 109.545 1.085 17603 4542 1 5 . 1 1 142 142 THR CA C 142 56.326 56.326 58.956 -2.630 17603 4543 1 5 . 1 1 142 142 THR CB C 142 69.490 69.490 68.604 0.886 17603 4544 1 5 . 1 1 142 142 THR H H 142 6.964 6.964 7.764 -0.800 17603 4545 1 5 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.726 -0.065 17603 4546 1 5 . 1 1 143 143 PRO C C 143 178.494 178.494 177.834 0.660 17603 4547 1 5 . 1 1 143 143 PRO CA C 143 65.612 65.612 65.062 0.549 17603 4548 1 5 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.709 0.163 17603 4549 1 5 . 1 1 144 144 ASN N N 144 116.334 116.334 116.657 -0.323 17603 4550 1 5 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.360 -0.045 17603 4551 1 5 . 1 1 144 144 ASN C C 144 177.341 177.341 177.401 -0.060 17603 4552 1 5 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.302 0.366 17603 4553 1 5 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.800 -0.134 17603 4554 1 5 . 1 1 144 144 ASN H H 144 7.971 7.971 8.464 -0.493 17603 4555 1 5 . 1 1 145 145 ARG N N 145 121.642 121.642 121.032 0.610 17603 4556 1 5 . 1 1 145 145 ARG HA H 145 3.930 3.930 3.986 -0.057 17603 4557 1 5 . 1 1 145 145 ARG C C 145 177.087 177.087 178.208 -1.121 17603 4558 1 5 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.407 -1.272 17603 4559 1 5 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.284 1.171 17603 4560 1 5 . 1 1 145 145 ARG H H 145 7.750 7.750 8.179 -0.429 17603 4561 1 5 . 1 1 146 146 ALA N N 146 119.316 119.316 121.265 -1.949 17603 4562 1 5 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.154 -0.296 17603 4563 1 5 . 1 1 146 146 ALA C C 146 179.664 179.664 179.323 0.341 17603 4564 1 5 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.488 0.053 17603 4565 1 5 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.272 1.743 17603 4566 1 5 . 1 1 146 146 ALA H H 146 8.429 8.429 8.126 0.303 17603 4567 1 5 . 1 1 147 147 LYS N N 147 116.714 116.714 118.216 -1.502 17603 4568 1 5 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.070 -0.029 17603 4569 1 5 . 1 1 147 147 LYS C C 147 179.974 179.974 178.890 1.084 17603 4570 1 5 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.935 0.794 17603 4571 1 5 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.304 0.484 17603 4572 1 5 . 1 1 147 147 LYS H H 147 8.253 8.253 8.153 0.100 17603 4573 1 5 . 1 1 148 148 ARG N N 148 119.234 119.234 119.141 0.093 17603 4574 1 5 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.936 -0.103 17603 4575 1 5 . 1 1 148 148 ARG C C 148 180.146 180.146 178.959 1.187 17603 4576 1 5 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.198 1.595 17603 4577 1 5 . 1 1 148 148 ARG CB C 148 30.238 30.238 29.999 0.239 17603 4578 1 5 . 1 1 148 148 ARG H H 148 7.279 7.279 7.816 -0.537 17603 4579 1 5 . 1 1 149 149 VAL N N 149 125.307 125.307 120.555 4.752 17603 4580 1 5 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.750 -0.293 17603 4581 1 5 . 1 1 149 149 VAL C C 149 178.460 178.460 178.286 0.174 17603 4582 1 5 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.661 1.507 17603 4583 1 5 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.915 0.540 17603 4584 1 5 . 1 1 149 149 VAL H H 149 8.816 8.816 8.096 0.720 17603 4585 1 5 . 1 1 150 150 ILE N N 150 121.097 121.097 120.942 0.155 17603 4586 1 5 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.925 -0.039 17603 4587 1 5 . 1 1 150 150 ILE C C 150 178.378 178.378 178.164 0.214 17603 4588 1 5 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.864 1.504 17603 4589 1 5 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.864 -0.165 17603 4590 1 5 . 1 1 150 150 ILE H H 150 9.547 9.547 8.901 0.646 17603 4591 1 5 . 1 1 151 151 THR N N 151 117.959 117.959 116.801 1.158 17603 4592 1 5 . 1 1 151 151 THR HA H 151 3.933 3.933 4.038 -0.105 17603 4593 1 5 . 1 1 151 151 THR C C 151 176.283 176.283 176.562 -0.279 17603 4594 1 5 . 1 1 151 151 THR CA C 151 67.403 67.403 67.650 -0.247 17603 4595 1 5 . 1 1 151 151 THR CB C 151 68.172 68.172 68.356 -0.184 17603 4596 1 5 . 1 1 151 151 THR H H 151 8.444 8.444 8.531 -0.087 17603 4597 1 5 . 1 1 152 152 THR N N 152 122.010 122.010 119.753 2.257 17603 4598 1 5 . 1 1 152 152 THR HA H 152 3.944 3.944 4.193 -0.249 17603 4599 1 5 . 1 1 152 152 THR C C 152 176.671 176.671 176.304 0.367 17603 4600 1 5 . 1 1 152 152 THR CA C 152 67.498 67.498 66.880 0.618 17603 4601 1 5 . 1 1 152 152 THR H H 152 7.964 7.964 7.771 0.193 17603 4602 1 5 . 1 1 153 153 PHE N N 153 120.387 120.387 121.266 -0.879 17603 4603 1 5 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.105 -0.152 17603 4604 1 5 . 1 1 153 153 PHE C C 153 178.321 178.321 177.422 0.899 17603 4605 1 5 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.756 0.953 17603 4606 1 5 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.417 0.923 17603 4607 1 5 . 1 1 153 153 PHE H H 153 8.375 8.375 8.252 0.123 17603 4608 1 5 . 1 1 154 154 ARG N N 154 118.015 118.015 119.595 -1.580 17603 4609 1 5 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.182 -0.112 17603 4610 1 5 . 1 1 154 154 ARG C C 154 178.076 178.076 178.507 -0.431 17603 4611 1 5 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.922 0.440 17603 4612 1 5 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.582 0.964 17603 4613 1 5 . 1 1 154 154 ARG H H 154 8.795 8.795 8.430 0.365 17603 4614 1 5 . 1 1 155 155 THR N N 155 104.622 104.622 108.822 -4.200 17603 4615 1 5 . 1 1 155 155 THR HA H 155 4.252 4.252 4.302 -0.050 17603 4616 1 5 . 1 1 155 155 THR C C 155 176.765 176.765 175.755 1.010 17603 4617 1 5 . 1 1 155 155 THR CA C 155 62.470 62.470 62.125 0.345 17603 4618 1 5 . 1 1 155 155 THR CB C 155 71.330 71.330 69.927 1.403 17603 4619 1 5 . 1 1 155 155 THR H H 155 8.169 8.169 7.912 0.257 17603 4620 1 5 . 1 1 156 156 GLY N N 156 111.689 111.689 112.331 -0.642 17603 4621 1 5 . 1 1 156 156 GLY C C 156 172.933 172.933 174.179 -1.246 17603 4622 1 5 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.928 0.239 17603 4623 1 5 . 1 1 156 156 GLY H H 156 8.491 8.491 8.021 0.470 17603 4624 1 5 . 1 1 157 157 THR N N 157 108.301 108.301 110.531 -2.230 17603 4625 1 5 . 1 1 157 157 THR HA H 157 4.637 4.637 4.377 0.260 17603 4626 1 5 . 1 1 157 157 THR C C 157 174.086 174.086 173.026 1.060 17603 4627 1 5 . 1 1 157 157 THR CA C 157 58.748 58.748 59.401 -0.652 17603 4628 1 5 . 1 1 157 157 THR CB C 157 72.418 72.418 71.516 0.902 17603 4629 1 5 . 1 1 157 157 THR H H 157 7.603 7.603 7.259 0.344 17603 4630 1 5 . 1 1 158 158 TRP N N 158 118.038 118.038 119.679 -1.641 17603 4631 1 5 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.932 0.132 17603 4632 1 5 . 1 1 158 158 TRP C C 158 177.922 177.922 176.850 1.072 17603 4633 1 5 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.453 -0.106 17603 4634 1 5 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.362 0.417 17603 4635 1 5 . 1 1 158 158 TRP H H 158 8.602 8.602 8.605 -0.003 17603 4636 1 5 . 1 1 159 159 ASP N N 159 119.620 119.620 122.121 -2.501 17603 4637 1 5 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.458 -0.265 17603 4638 1 5 . 1 1 159 159 ASP C C 159 177.407 177.407 178.079 -0.672 17603 4639 1 5 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.608 1.171 17603 4640 1 5 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.254 0.420 17603 4641 1 5 . 1 1 159 159 ASP H H 159 7.909 7.909 7.817 0.092 17603 4642 1 5 . 1 1 160 160 ALA N N 160 119.985 119.985 121.162 -1.177 17603 4643 1 5 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.176 0.025 17603 4644 1 5 . 1 1 160 160 ALA C C 160 177.362 177.362 177.925 -0.563 17603 4645 1 5 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.654 0.075 17603 4646 1 5 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.523 0.095 17603 4647 1 5 . 1 1 160 160 ALA H H 160 9.187 9.187 8.338 0.849 17603 4648 1 5 . 1 1 161 161 TYR N N 161 113.735 113.735 113.334 0.401 17603 4649 1 5 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.639 -0.392 17603 4650 1 5 . 1 1 161 161 TYR C C 161 175.125 175.125 177.428 -2.303 17603 4651 1 5 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.235 0.674 17603 4652 1 5 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.416 0.440 17603 4653 1 5 . 1 1 161 161 TYR H H 161 8.061 8.061 8.010 0.051 17603 4654 1 5 . 1 1 162 162 LYS N N 162 119.491 119.491 120.350 -0.859 17603 4655 1 5 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.230 -0.081 17603 4656 1 5 . 1 1 162 162 LYS C C 162 176.030 176.030 177.875 -1.845 17603 4657 1 5 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.403 -0.945 17603 4658 1 5 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.207 -3.079 17603 4659 1 5 . 1 1 162 162 LYS H H 162 7.262 7.262 7.667 -0.405 17603 4660 1 5 . 1 1 163 163 ASN N N 163 117.131 117.131 115.962 1.169 17603 4661 1 5 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.681 -0.091 17603 4662 1 5 . 1 1 163 163 ASN C C 163 173.691 173.691 175.322 -1.631 17603 4663 1 5 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.505 0.379 17603 4664 1 5 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.060 -0.918 17603 4665 1 5 . 1 1 163 163 ASN H H 163 8.457 8.457 8.405 0.052 17603 4666 1 6 . 1 1 2 2 ASN N N 2 115.826 115.826 119.811 -3.985 17603 4667 1 6 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.578 -0.111 17603 4668 1 6 . 1 1 2 2 ASN C C 2 174.640 174.640 174.606 0.034 17603 4669 1 6 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.055 -0.141 17603 4670 1 6 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.056 0.188 17603 4671 1 6 . 1 1 2 2 ASN H H 2 6.923 6.923 7.738 -0.815 17603 4672 1 6 . 1 1 3 3 ILE N N 3 116.880 116.880 119.961 -3.081 17603 4673 1 6 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.889 0.188 17603 4674 1 6 . 1 1 3 3 ILE C C 3 174.099 174.099 176.445 -2.346 17603 4675 1 6 . 1 1 3 3 ILE CA C 3 61.631 61.631 63.011 -1.380 17603 4676 1 6 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.946 0.246 17603 4677 1 6 . 1 1 3 3 ILE H H 3 8.815 8.815 8.503 0.312 17603 4678 1 6 . 1 1 4 4 PHE N N 4 121.992 121.992 118.809 3.183 17603 4679 1 6 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.199 -0.170 17603 4680 1 6 . 1 1 4 4 PHE C C 4 177.093 177.093 178.078 -0.985 17603 4681 1 6 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.297 -1.289 17603 4682 1 6 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.398 -0.238 17603 4683 1 6 . 1 1 4 4 PHE H H 4 7.336 7.336 8.042 -0.706 17603 4684 1 6 . 1 1 5 5 GLU N N 5 118.284 118.284 119.565 -1.281 17603 4685 1 6 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.907 -0.126 17603 4686 1 6 . 1 1 5 5 GLU C C 5 178.340 178.340 179.038 -0.698 17603 4687 1 6 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.168 -0.519 17603 4688 1 6 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.409 0.947 17603 4689 1 6 . 1 1 5 5 GLU H H 5 7.892 7.892 8.601 -0.709 17603 4690 1 6 . 1 1 6 6 MET N N 6 118.546 118.546 120.953 -2.407 17603 4691 1 6 . 1 1 6 6 MET HA H 6 3.314 3.314 3.788 -0.474 17603 4692 1 6 . 1 1 6 6 MET C C 6 177.078 177.078 178.032 -0.954 17603 4693 1 6 . 1 1 6 6 MET CA C 6 58.988 58.988 59.247 -0.259 17603 4694 1 6 . 1 1 6 6 MET CB C 6 34.498 34.498 32.589 1.909 17603 4695 1 6 . 1 1 6 6 MET H H 6 7.946 7.946 8.395 -0.449 17603 4696 1 6 . 1 1 7 7 LEU N N 7 116.516 116.516 118.420 -1.904 17603 4697 1 6 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.921 0.047 17603 4698 1 6 . 1 1 7 7 LEU C C 7 178.579 178.579 178.684 -0.105 17603 4699 1 6 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.476 0.129 17603 4700 1 6 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.334 0.560 17603 4701 1 6 . 1 1 7 7 LEU H H 7 7.969 7.969 8.235 -0.266 17603 4702 1 6 . 1 1 8 8 ARG N N 8 120.793 120.793 120.096 0.697 17603 4703 1 6 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.834 -0.275 17603 4704 1 6 . 1 1 8 8 ARG C C 8 180.018 180.018 178.751 1.267 17603 4705 1 6 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.317 1.929 17603 4706 1 6 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.236 0.282 17603 4707 1 6 . 1 1 8 8 ARG H H 8 8.161 8.161 8.117 0.044 17603 4708 1 6 . 1 1 9 9 ILE N N 9 120.805 120.805 118.566 2.239 17603 4709 1 6 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.771 -0.198 17603 4710 1 6 . 1 1 9 9 ILE C C 9 177.878 177.878 177.304 0.574 17603 4711 1 6 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.801 0.475 17603 4712 1 6 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.064 0.209 17603 4713 1 6 . 1 1 9 9 ILE H H 9 7.628 7.628 7.958 -0.330 17603 4714 1 6 . 1 1 10 10 ASP N N 10 118.172 118.172 117.683 0.489 17603 4715 1 6 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.592 -0.186 17603 4716 1 6 . 1 1 10 10 ASP C C 10 178.041 178.041 177.750 0.291 17603 4717 1 6 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.346 1.948 17603 4718 1 6 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.103 0.768 17603 4719 1 6 . 1 1 10 10 ASP H H 10 7.999 7.999 8.010 -0.011 17603 4720 1 6 . 1 1 11 11 GLU N N 11 115.562 115.562 116.120 -0.558 17603 4721 1 6 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.561 0.080 17603 4722 1 6 . 1 1 11 11 GLU C C 11 178.197 178.197 177.172 1.025 17603 4723 1 6 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.274 -0.170 17603 4724 1 6 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.832 -0.738 17603 4725 1 6 . 1 1 11 11 GLU H H 11 8.855 8.855 8.212 0.643 17603 4726 1 6 . 1 1 12 12 GLY N N 12 109.971 109.971 108.573 1.398 17603 4727 1 6 . 1 1 12 12 GLY C C 12 170.049 170.049 171.865 -1.816 17603 4728 1 6 . 1 1 12 12 GLY CA C 12 44.694 44.694 44.994 -0.300 17603 4729 1 6 . 1 1 12 12 GLY H H 12 7.550 7.550 7.935 -0.385 17603 4730 1 6 . 1 1 13 13 LEU N N 13 117.547 117.547 121.456 -3.909 17603 4731 1 6 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.032 -0.574 17603 4732 1 6 . 1 1 13 13 LEU C C 13 175.566 175.566 175.115 0.451 17603 4733 1 6 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.517 0.055 17603 4734 1 6 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.629 -0.762 17603 4735 1 6 . 1 1 13 13 LEU H H 13 7.755 7.755 8.207 -0.452 17603 4736 1 6 . 1 1 14 14 ARG N N 14 126.722 126.722 125.081 1.641 17603 4737 1 6 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.654 0.031 17603 4738 1 6 . 1 1 14 14 ARG C C 14 175.979 175.979 175.904 0.075 17603 4739 1 6 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.878 -0.615 17603 4740 1 6 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.431 0.387 17603 4741 1 6 . 1 1 14 14 ARG H H 14 8.214 8.214 8.227 -0.013 17603 4742 1 6 . 1 1 15 15 LEU N N 15 123.112 123.112 121.327 1.785 17603 4743 1 6 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.388 -0.043 17603 4744 1 6 . 1 1 15 15 LEU C C 15 173.808 173.808 176.047 -2.239 17603 4745 1 6 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.072 -0.299 17603 4746 1 6 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.308 -2.536 17603 4747 1 6 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 4748 1 6 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 4749 1 6 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.260 0.096 17603 4750 1 6 . 1 1 16 16 LYS C C 16 176.072 176.072 176.751 -0.679 17603 4751 1 6 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.201 -0.328 17603 4752 1 6 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.227 0.734 17603 4753 1 6 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 4754 1 6 . 1 1 17 17 ILE N N 17 120.916 120.916 126.321 -5.405 17603 4755 1 6 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.288 -0.180 17603 4756 1 6 . 1 1 17 17 ILE C C 17 174.826 174.826 176.488 -1.662 17603 4757 1 6 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.464 0.482 17603 4758 1 6 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.373 1.109 17603 4759 1 6 . 1 1 17 17 ILE H H 17 7.555 7.555 8.257 -0.702 17603 4760 1 6 . 1 1 18 18 TYR N N 18 128.021 128.021 125.977 2.044 17603 4761 1 6 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.113 -0.037 17603 4762 1 6 . 1 1 18 18 TYR C C 18 172.698 172.698 173.521 -0.823 17603 4763 1 6 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.290 0.316 17603 4764 1 6 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.906 0.608 17603 4765 1 6 . 1 1 18 18 TYR H H 18 9.340 9.340 9.087 0.253 17603 4766 1 6 . 1 1 19 19 LYS N N 19 122.578 122.578 120.907 1.671 17603 4767 1 6 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.547 -0.014 17603 4768 1 6 . 1 1 19 19 LYS C C 19 175.823 175.823 176.215 -0.392 17603 4769 1 6 . 1 1 19 19 LYS CA C 19 55.106 55.106 54.999 0.106 17603 4770 1 6 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.866 0.354 17603 4771 1 6 . 1 1 19 19 LYS H H 19 8.260 8.260 8.409 -0.149 17603 4772 1 6 . 1 1 20 20 ASP N N 20 125.695 125.695 124.354 1.341 17603 4773 1 6 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.737 -0.146 17603 4774 1 6 . 1 1 20 20 ASP C C 20 178.065 178.065 178.307 -0.242 17603 4775 1 6 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.181 -0.397 17603 4776 1 6 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.620 -0.700 17603 4777 1 6 . 1 1 20 20 ASP H H 20 8.517 8.517 8.827 -0.310 17603 4778 1 6 . 1 1 21 21 THR N N 21 110.206 110.206 109.378 0.828 17603 4779 1 6 . 1 1 21 21 THR HA H 21 3.982 3.982 4.039 -0.057 17603 4780 1 6 . 1 1 21 21 THR C C 21 175.854 175.854 175.710 0.144 17603 4781 1 6 . 1 1 21 21 THR CA C 21 65.025 65.025 64.849 0.176 17603 4782 1 6 . 1 1 21 21 THR CB C 21 68.796 68.796 68.813 -0.017 17603 4783 1 6 . 1 1 21 21 THR H H 21 7.953 7.953 8.535 -0.582 17603 4784 1 6 . 1 1 22 22 GLU N N 22 120.359 120.359 119.934 0.425 17603 4785 1 6 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.251 -0.078 17603 4786 1 6 . 1 1 22 22 GLU C C 22 175.597 175.597 176.339 -0.742 17603 4787 1 6 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.858 0.440 17603 4788 1 6 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.947 0.406 17603 4789 1 6 . 1 1 22 22 GLU H H 22 8.013 8.013 8.098 -0.085 17603 4790 1 6 . 1 1 23 23 GLY N N 23 106.729 106.729 106.726 0.003 17603 4791 1 6 . 1 1 23 23 GLY C C 23 173.526 173.526 174.047 -0.521 17603 4792 1 6 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.041 -0.075 17603 4793 1 6 . 1 1 23 23 GLY H H 23 7.841 7.841 7.797 0.044 17603 4794 1 6 . 1 1 24 24 TYR N N 24 120.577 120.577 119.504 1.073 17603 4795 1 6 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.509 0.366 17603 4796 1 6 . 1 1 24 24 TYR C C 24 177.535 177.535 175.782 1.753 17603 4797 1 6 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.459 -1.216 17603 4798 1 6 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.078 -0.777 17603 4799 1 6 . 1 1 24 24 TYR H H 24 8.116 8.116 8.064 0.052 17603 4800 1 6 . 1 1 25 25 TYR N N 25 122.385 122.385 123.185 -0.800 17603 4801 1 6 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.884 0.051 17603 4802 1 6 . 1 1 25 25 TYR C C 25 175.310 175.310 176.194 -0.884 17603 4803 1 6 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.005 -0.211 17603 4804 1 6 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.876 2.017 17603 4805 1 6 . 1 1 25 25 TYR H H 25 8.679 8.679 8.878 -0.199 17603 4806 1 6 . 1 1 26 26 THR N N 26 120.628 120.628 118.030 2.598 17603 4807 1 6 . 1 1 26 26 THR HA H 26 5.179 5.179 5.035 0.144 17603 4808 1 6 . 1 1 26 26 THR C C 26 180.259 180.259 172.599 7.660 17603 4809 1 6 . 1 1 26 26 THR CA C 26 61.015 61.015 61.265 -0.250 17603 4810 1 6 . 1 1 26 26 THR CB C 26 72.424 72.424 72.380 0.044 17603 4811 1 6 . 1 1 26 26 THR H H 26 9.362 9.362 9.059 0.303 17603 4812 1 6 . 1 1 27 27 ILE N N 27 120.468 120.468 120.664 -0.196 17603 4813 1 6 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.514 0.032 17603 4814 1 6 . 1 1 27 27 ILE C C 27 172.440 172.440 174.640 -2.200 17603 4815 1 6 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.797 0.710 17603 4816 1 6 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.033 1.150 17603 4817 1 6 . 1 1 27 27 ILE H H 27 8.814 8.814 8.508 0.306 17603 4818 1 6 . 1 1 28 28 GLY N N 28 112.172 112.172 112.810 -0.638 17603 4819 1 6 . 1 1 28 28 GLY C C 28 174.772 174.772 174.201 0.571 17603 4820 1 6 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.080 -0.082 17603 4821 1 6 . 1 1 28 28 GLY H H 28 8.553 8.553 8.803 -0.250 17603 4822 1 6 . 1 1 29 29 ILE N N 29 133.320 133.320 125.122 8.198 17603 4823 1 6 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.416 0.410 17603 4824 1 6 . 1 1 29 29 ILE C C 29 176.677 176.677 176.637 0.040 17603 4825 1 6 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.778 -1.565 17603 4826 1 6 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.721 -0.860 17603 4827 1 6 . 1 1 29 29 ILE H H 29 10.142 10.142 8.659 1.483 17603 4828 1 6 . 1 1 30 30 GLY N N 30 108.192 108.192 112.516 -4.324 17603 4829 1 6 . 1 1 30 30 GLY C C 30 173.131 173.131 174.303 -1.172 17603 4830 1 6 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.102 1.089 17603 4831 1 6 . 1 1 30 30 GLY H H 30 8.121 8.121 8.402 -0.281 17603 4832 1 6 . 1 1 31 31 HIS N N 31 115.740 115.740 120.171 -4.431 17603 4833 1 6 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.631 -0.330 17603 4834 1 6 . 1 1 31 31 HIS C C 31 173.495 173.495 174.597 -1.102 17603 4835 1 6 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.727 1.947 17603 4836 1 6 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.885 -2.314 17603 4837 1 6 . 1 1 31 31 HIS H H 31 8.266 8.266 8.414 -0.148 17603 4838 1 6 . 1 1 32 32 LEU N N 32 132.140 132.140 128.644 3.496 17603 4839 1 6 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.987 0.102 17603 4840 1 6 . 1 1 32 32 LEU C C 32 176.486 176.486 175.629 0.857 17603 4841 1 6 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.441 0.399 17603 4842 1 6 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.211 -0.277 17603 4843 1 6 . 1 1 32 32 LEU H H 32 7.873 7.873 8.276 -0.403 17603 4844 1 6 . 1 1 33 33 LEU N N 33 125.594 125.594 126.265 -0.671 17603 4845 1 6 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.343 0.093 17603 4846 1 6 . 1 1 33 33 LEU C C 33 176.139 176.139 177.123 -0.984 17603 4847 1 6 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.886 -0.204 17603 4848 1 6 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.084 0.366 17603 4849 1 6 . 1 1 33 33 LEU H H 33 9.060 9.060 8.764 0.296 17603 4850 1 6 . 1 1 34 34 THR N N 34 109.512 109.512 109.026 0.486 17603 4851 1 6 . 1 1 34 34 THR HA H 34 4.485 4.485 4.392 0.093 17603 4852 1 6 . 1 1 34 34 THR C C 34 171.666 171.666 172.298 -0.632 17603 4853 1 6 . 1 1 34 34 THR CA C 34 60.278 60.278 61.373 -1.095 17603 4854 1 6 . 1 1 34 34 THR CB C 34 67.479 67.479 71.454 -3.975 17603 4855 1 6 . 1 1 34 34 THR H H 34 7.266 7.266 7.373 -0.107 17603 4856 1 6 . 1 1 35 35 LYS N N 35 125.041 125.041 122.544 2.497 17603 4857 1 6 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.023 0.271 17603 4858 1 6 . 1 1 35 35 LYS C C 35 176.714 176.714 176.752 -0.038 17603 4859 1 6 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.903 0.452 17603 4860 1 6 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.287 0.099 17603 4861 1 6 . 1 1 35 35 LYS H H 35 8.556 8.556 8.285 0.271 17603 4862 1 6 . 1 1 36 36 SER N N 36 119.417 119.417 117.683 1.734 17603 4863 1 6 . 1 1 36 36 SER CA C 36 57.016 57.016 56.292 0.723 17603 4864 1 6 . 1 1 36 36 SER CB C 36 64.053 64.053 63.779 0.274 17603 4865 1 6 . 1 1 36 36 SER H H 36 8.671 8.671 7.787 0.884 17603 4866 1 6 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.579 0.255 17603 4867 1 6 . 1 1 37 37 PRO C C 37 177.182 177.182 176.805 0.377 17603 4868 1 6 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.432 0.285 17603 4869 1 6 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.941 -1.289 17603 4870 1 6 . 1 1 38 38 SER N N 38 116.310 116.310 116.093 0.217 17603 4871 1 6 . 1 1 38 38 SER HA H 38 4.703 4.703 4.569 0.134 17603 4872 1 6 . 1 1 38 38 SER C C 38 174.405 174.405 175.314 -0.909 17603 4873 1 6 . 1 1 38 38 SER CA C 38 56.494 56.494 56.686 -0.192 17603 4874 1 6 . 1 1 38 38 SER CB C 38 63.608 63.608 63.582 0.026 17603 4875 1 6 . 1 1 38 38 SER H H 38 8.189 8.189 7.749 0.440 17603 4876 1 6 . 1 1 39 39 LEU N N 39 132.784 132.784 130.482 2.302 17603 4877 1 6 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.349 0.006 17603 4878 1 6 . 1 1 39 39 LEU C C 39 178.441 178.441 177.568 0.873 17603 4879 1 6 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.142 0.116 17603 4880 1 6 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.847 -0.362 17603 4881 1 6 . 1 1 39 39 LEU H H 39 8.916 8.916 8.791 0.125 17603 4882 1 6 . 1 1 40 40 ASN N N 40 116.840 116.840 117.515 -0.675 17603 4883 1 6 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.341 -0.078 17603 4884 1 6 . 1 1 40 40 ASN C C 40 178.226 178.226 177.435 0.791 17603 4885 1 6 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.976 0.362 17603 4886 1 6 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 4887 1 6 . 1 1 40 40 ASN H H 40 8.255 8.255 8.219 0.036 17603 4888 1 6 . 1 1 41 41 ALA N N 41 123.964 123.964 122.976 0.988 17603 4889 1 6 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.996 0.198 17603 4890 1 6 . 1 1 41 41 ALA C C 41 179.835 179.835 178.893 0.942 17603 4891 1 6 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.928 -0.060 17603 4892 1 6 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.354 -0.482 17603 4893 1 6 . 1 1 41 41 ALA H H 41 7.710 7.710 7.595 0.115 17603 4894 1 6 . 1 1 42 42 ALA N N 42 121.099 121.099 121.296 -0.197 17603 4895 1 6 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.872 -0.122 17603 4896 1 6 . 1 1 42 42 ALA C C 42 178.838 178.838 179.451 -0.613 17603 4897 1 6 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.102 0.431 17603 4898 1 6 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.080 0.496 17603 4899 1 6 . 1 1 42 42 ALA H H 42 7.571 7.571 7.856 -0.285 17603 4900 1 6 . 1 1 43 43 LYS N N 43 117.308 117.308 118.137 -0.829 17603 4901 1 6 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.892 -0.238 17603 4902 1 6 . 1 1 43 43 LYS C C 43 177.511 177.511 178.921 -1.410 17603 4903 1 6 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.715 0.944 17603 4904 1 6 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 4905 1 6 . 1 1 43 43 LYS H H 43 8.377 8.377 8.250 0.127 17603 4906 1 6 . 1 1 44 44 SER N N 44 114.066 114.066 115.251 -1.185 17603 4907 1 6 . 1 1 44 44 SER HA H 44 4.256 4.256 4.166 0.090 17603 4908 1 6 . 1 1 44 44 SER C C 44 177.894 177.894 176.608 1.286 17603 4909 1 6 . 1 1 44 44 SER CA C 44 61.764 61.764 61.395 0.369 17603 4910 1 6 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.169 17603 4911 1 6 . 1 1 44 44 SER H H 44 7.895 7.895 8.146 -0.251 17603 4912 1 6 . 1 1 45 45 GLU N N 45 120.349 120.349 121.230 -0.881 17603 4913 1 6 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.043 0.063 17603 4914 1 6 . 1 1 45 45 GLU C C 45 179.336 179.336 179.150 0.186 17603 4915 1 6 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.999 -0.573 17603 4916 1 6 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.327 0.021 17603 4917 1 6 . 1 1 45 45 GLU H H 45 7.988 7.988 7.881 0.107 17603 4918 1 6 . 1 1 46 46 LEU N N 46 122.887 122.887 122.341 0.546 17603 4919 1 6 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.063 -0.125 17603 4920 1 6 . 1 1 46 46 LEU C C 46 177.291 177.291 178.301 -1.010 17603 4921 1 6 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.187 -0.538 17603 4922 1 6 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.660 -0.044 17603 4923 1 6 . 1 1 46 46 LEU H H 46 8.286 8.286 8.318 -0.032 17603 4924 1 6 . 1 1 47 47 ASP N N 47 120.418 120.418 119.881 0.537 17603 4925 1 6 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.490 0.270 17603 4926 1 6 . 1 1 47 47 ASP C C 47 180.926 180.926 179.128 1.798 17603 4927 1 6 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.420 -0.102 17603 4928 1 6 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.254 -0.225 17603 4929 1 6 . 1 1 47 47 ASP H H 47 8.553 8.553 8.426 0.127 17603 4930 1 6 . 1 1 48 48 LYS N N 48 120.743 120.743 120.007 0.736 17603 4931 1 6 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.063 -0.060 17603 4932 1 6 . 1 1 48 48 LYS C C 48 178.198 178.198 178.306 -0.108 17603 4933 1 6 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.870 0.311 17603 4934 1 6 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.593 0.111 17603 4935 1 6 . 1 1 48 48 LYS H H 48 7.747 7.747 7.932 -0.185 17603 4936 1 6 . 1 1 49 49 ALA N N 49 121.258 121.258 121.930 -0.672 17603 4937 1 6 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.214 -0.058 17603 4938 1 6 . 1 1 49 49 ALA C C 49 179.386 179.386 179.199 0.187 17603 4939 1 6 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.551 -0.079 17603 4940 1 6 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.974 -0.740 17603 4941 1 6 . 1 1 49 49 ALA H H 49 7.925 7.925 7.967 -0.042 17603 4942 1 6 . 1 1 50 50 ILE N N 50 114.806 114.806 115.950 -1.144 17603 4943 1 6 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.053 0.025 17603 4944 1 6 . 1 1 50 50 ILE C C 50 177.205 177.205 177.211 -0.006 17603 4945 1 6 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.050 -1.948 17603 4946 1 6 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.428 -1.134 17603 4947 1 6 . 1 1 50 50 ILE H H 50 8.323 8.323 7.715 0.608 17603 4948 1 6 . 1 1 51 51 GLY N N 51 109.238 109.238 109.793 -0.555 17603 4949 1 6 . 1 1 51 51 GLY C C 51 173.771 173.771 173.778 -0.007 17603 4950 1 6 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.156 0.767 17603 4951 1 6 . 1 1 51 51 GLY H H 51 8.340 8.340 8.381 -0.041 17603 4952 1 6 . 1 1 52 52 ARG N N 52 115.526 115.526 116.558 -1.032 17603 4953 1 6 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.523 0.034 17603 4954 1 6 . 1 1 52 52 ARG C C 52 172.391 172.391 173.394 -1.003 17603 4955 1 6 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.816 0.264 17603 4956 1 6 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.308 -0.101 17603 4957 1 6 . 1 1 52 52 ARG H H 52 7.656 7.656 7.633 0.023 17603 4958 1 6 . 1 1 53 53 ASN N N 53 115.684 115.684 120.467 -4.783 17603 4959 1 6 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.948 -0.252 17603 4960 1 6 . 1 1 53 53 ASN C C 53 175.491 175.491 174.998 0.493 17603 4961 1 6 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.826 0.325 17603 4962 1 6 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.031 17603 4963 1 6 . 1 1 53 53 ASN H H 53 8.241 8.241 8.687 -0.446 17603 4964 1 6 . 1 1 54 54 THR N N 54 119.609 119.609 118.043 1.566 17603 4965 1 6 . 1 1 54 54 THR HA H 54 4.300 4.300 4.498 -0.198 17603 4966 1 6 . 1 1 54 54 THR C C 54 177.264 177.264 174.679 2.585 17603 4967 1 6 . 1 1 54 54 THR CA C 54 63.701 63.701 60.888 2.813 17603 4968 1 6 . 1 1 54 54 THR CB C 54 70.615 70.615 70.635 -0.020 17603 4969 1 6 . 1 1 54 54 THR H H 54 9.034 9.034 8.774 0.260 17603 4970 1 6 . 1 1 55 55 ASN N N 55 120.027 120.027 118.455 1.572 17603 4971 1 6 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.693 -0.309 17603 4972 1 6 . 1 1 55 55 ASN C C 55 175.774 175.774 175.677 0.097 17603 4973 1 6 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.037 2.389 17603 4974 1 6 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.721 -0.076 17603 4975 1 6 . 1 1 55 55 ASN H H 55 9.426 9.426 8.342 1.084 17603 4976 1 6 . 1 1 56 56 GLY N N 56 103.056 103.056 108.276 -5.220 17603 4977 1 6 . 1 1 56 56 GLY C C 56 172.072 172.072 172.902 -0.830 17603 4978 1 6 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.169 0.017 17603 4979 1 6 . 1 1 56 56 GLY H H 56 8.662 8.662 7.815 0.847 17603 4980 1 6 . 1 1 57 57 VAL N N 57 119.999 119.999 118.575 1.424 17603 4981 1 6 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.293 -0.164 17603 4982 1 6 . 1 1 57 57 VAL C C 57 174.971 174.971 174.879 0.092 17603 4983 1 6 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.692 1.329 17603 4984 1 6 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.645 0.526 17603 4985 1 6 . 1 1 57 57 VAL H H 57 7.444 7.444 7.424 0.020 17603 4986 1 6 . 1 1 58 58 ILE N N 58 116.746 116.746 121.349 -4.603 17603 4987 1 6 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.097 -0.251 17603 4988 1 6 . 1 1 58 58 ILE C C 58 175.376 175.376 175.217 0.159 17603 4989 1 6 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.919 0.720 17603 4990 1 6 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.932 -0.060 17603 4991 1 6 . 1 1 58 58 ILE H H 58 8.562 8.562 9.077 -0.515 17603 4992 1 6 . 1 1 59 59 THR N N 59 109.208 109.208 112.617 -3.409 17603 4993 1 6 . 1 1 59 59 THR HA H 59 4.632 4.632 4.663 -0.031 17603 4994 1 6 . 1 1 59 59 THR C C 59 176.431 176.431 174.817 1.614 17603 4995 1 6 . 1 1 59 59 THR CA C 59 59.899 59.899 60.188 -0.289 17603 4996 1 6 . 1 1 59 59 THR CB C 59 71.419 71.419 70.299 1.120 17603 4997 1 6 . 1 1 59 59 THR H H 59 8.682 8.682 9.061 -0.379 17603 4998 1 6 . 1 1 60 60 LYS N N 60 121.442 121.442 121.695 -0.253 17603 4999 1 6 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.961 -0.122 17603 5000 1 6 . 1 1 60 60 LYS C C 60 178.238 178.238 178.334 -0.096 17603 5001 1 6 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.466 0.297 17603 5002 1 6 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.267 -0.251 17603 5003 1 6 . 1 1 60 60 LYS H H 60 9.097 9.097 8.820 0.277 17603 5004 1 6 . 1 1 61 61 ASP N N 61 117.513 117.513 118.416 -0.903 17603 5005 1 6 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.411 -0.044 17603 5006 1 6 . 1 1 61 61 ASP C C 61 179.613 179.613 179.030 0.583 17603 5007 1 6 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.525 -0.170 17603 5008 1 6 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.179 0.342 17603 5009 1 6 . 1 1 61 61 ASP H H 61 8.234 8.234 8.535 -0.301 17603 5010 1 6 . 1 1 62 62 GLU N N 62 121.613 121.613 120.199 1.414 17603 5011 1 6 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.072 -0.183 17603 5012 1 6 . 1 1 62 62 GLU C C 62 178.900 178.900 178.835 0.065 17603 5013 1 6 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.118 -0.068 17603 5014 1 6 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.600 -0.117 17603 5015 1 6 . 1 1 62 62 GLU H H 62 7.725 7.725 7.911 -0.186 17603 5016 1 6 . 1 1 63 63 ALA N N 63 121.265 121.265 122.803 -1.538 17603 5017 1 6 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.968 -0.084 17603 5018 1 6 . 1 1 63 63 ALA C C 63 180.712 180.712 179.772 0.940 17603 5019 1 6 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.699 -0.597 17603 5020 1 6 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.406 0.085 17603 5021 1 6 . 1 1 63 63 ALA H H 63 8.500 8.500 8.404 0.096 17603 5022 1 6 . 1 1 64 64 GLU N N 64 120.135 120.135 118.223 1.912 17603 5023 1 6 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.192 -0.098 17603 5024 1 6 . 1 1 64 64 GLU C C 64 177.848 177.848 178.927 -1.079 17603 5025 1 6 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.423 0.334 17603 5026 1 6 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.634 -0.521 17603 5027 1 6 . 1 1 64 64 GLU H H 64 8.412 8.412 8.394 0.018 17603 5028 1 6 . 1 1 65 65 LYS N N 65 122.023 122.023 121.373 0.650 17603 5029 1 6 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.096 0.056 17603 5030 1 6 . 1 1 65 65 LYS C C 65 179.601 179.601 179.007 0.594 17603 5031 1 6 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.644 0.474 17603 5032 1 6 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.417 -0.097 17603 5033 1 6 . 1 1 65 65 LYS H H 65 7.853 7.853 8.011 -0.158 17603 5034 1 6 . 1 1 66 66 LEU N N 66 118.739 118.739 119.324 -0.585 17603 5035 1 6 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.921 0.012 17603 5036 1 6 . 1 1 66 66 LEU C C 66 177.920 177.920 179.097 -1.177 17603 5037 1 6 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.906 -0.404 17603 5038 1 6 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.618 0.762 17603 5039 1 6 . 1 1 66 66 LEU H H 66 7.822 7.822 8.109 -0.287 17603 5040 1 6 . 1 1 67 67 PHE N N 67 119.050 119.050 120.251 -1.201 17603 5041 1 6 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.297 0.898 17603 5042 1 6 . 1 1 67 67 PHE C C 67 177.421 177.421 177.563 -0.142 17603 5043 1 6 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.819 -0.886 17603 5044 1 6 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.944 1.031 17603 5045 1 6 . 1 1 67 67 PHE H H 67 8.075 8.075 8.473 -0.398 17603 5046 1 6 . 1 1 68 68 ASN N N 68 118.041 118.041 117.407 0.634 17603 5047 1 6 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.376 -0.127 17603 5048 1 6 . 1 1 68 68 ASN C C 68 178.777 178.777 177.572 1.205 17603 5049 1 6 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.543 0.515 17603 5050 1 6 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.599 -0.108 17603 5051 1 6 . 1 1 68 68 ASN H H 68 8.505 8.505 8.572 -0.067 17603 5052 1 6 . 1 1 69 69 GLN N N 69 118.812 118.812 119.173 -0.361 17603 5053 1 6 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.986 0.193 17603 5054 1 6 . 1 1 69 69 GLN C C 69 178.938 178.938 178.429 0.509 17603 5055 1 6 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.145 -0.256 17603 5056 1 6 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.692 -0.140 17603 5057 1 6 . 1 1 69 69 GLN H H 69 7.763 7.763 8.083 -0.320 17603 5058 1 6 . 1 1 70 70 ASP N N 70 123.281 123.281 120.325 2.956 17603 5059 1 6 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.409 0.090 17603 5060 1 6 . 1 1 70 70 ASP C C 70 180.101 180.101 179.036 1.065 17603 5061 1 6 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.169 -0.127 17603 5062 1 6 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.471 -0.031 17603 5063 1 6 . 1 1 70 70 ASP H H 70 8.757 8.757 8.385 0.372 17603 5064 1 6 . 1 1 71 71 VAL N N 71 125.532 125.532 120.708 4.824 17603 5065 1 6 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.469 0.127 17603 5066 1 6 . 1 1 71 71 VAL C C 71 177.160 177.160 177.550 -0.390 17603 5067 1 6 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.762 1.247 17603 5068 1 6 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.240 0.343 17603 5069 1 6 . 1 1 71 71 VAL H H 71 9.015 9.015 8.348 0.667 17603 5070 1 6 . 1 1 72 72 ASP N N 72 119.221 119.221 119.977 -0.756 17603 5071 1 6 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.241 0.121 17603 5072 1 6 . 1 1 72 72 ASP C C 72 178.561 178.561 178.179 0.382 17603 5073 1 6 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.297 0.026 17603 5074 1 6 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.079 1.004 17603 5075 1 6 . 1 1 72 72 ASP H H 72 7.599 7.599 8.139 -0.540 17603 5076 1 6 . 1 1 73 73 ALA N N 73 120.038 120.038 121.698 -1.660 17603 5077 1 6 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.026 -0.027 17603 5078 1 6 . 1 1 73 73 ALA C C 73 180.491 180.491 179.546 0.945 17603 5079 1 6 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.045 0.041 17603 5080 1 6 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.198 0.324 17603 5081 1 6 . 1 1 73 73 ALA H H 73 8.276 8.276 8.240 0.036 17603 5082 1 6 . 1 1 74 74 ALA N N 74 123.435 123.435 121.952 1.483 17603 5083 1 6 . 1 1 74 74 ALA HA H 74 4.163 4.163 4.014 0.149 17603 5084 1 6 . 1 1 74 74 ALA C C 74 178.997 178.997 179.596 -0.599 17603 5085 1 6 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.827 0.000 17603 5086 1 6 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.428 0.002 17603 5087 1 6 . 1 1 74 74 ALA H H 74 7.925 7.925 7.708 0.217 17603 5088 1 6 . 1 1 75 75 VAL N N 75 118.091 118.091 119.428 -1.337 17603 5089 1 6 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.298 -0.067 17603 5090 1 6 . 1 1 75 75 VAL C C 75 178.108 178.108 177.664 0.444 17603 5091 1 6 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.919 0.123 17603 5092 1 6 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.411 0.427 17603 5093 1 6 . 1 1 75 75 VAL H H 75 8.141 8.141 7.875 0.266 17603 5094 1 6 . 1 1 76 76 ARG N N 76 117.779 117.779 119.913 -2.134 17603 5095 1 6 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.904 -0.103 17603 5096 1 6 . 1 1 76 76 ARG C C 76 178.816 178.816 178.666 0.150 17603 5097 1 6 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.851 0.061 17603 5098 1 6 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.924 0.302 17603 5099 1 6 . 1 1 76 76 ARG H H 76 8.358 8.358 8.627 -0.269 17603 5100 1 6 . 1 1 77 77 GLY N N 77 105.669 105.669 106.954 -1.285 17603 5101 1 6 . 1 1 77 77 GLY C C 77 176.097 176.097 176.044 0.053 17603 5102 1 6 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.795 -0.121 17603 5103 1 6 . 1 1 77 77 GLY H H 77 7.999 7.999 8.110 -0.111 17603 5104 1 6 . 1 1 78 78 ILE N N 78 122.001 122.001 122.047 -0.046 17603 5105 1 6 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.695 -0.052 17603 5106 1 6 . 1 1 78 78 ILE C C 78 177.194 177.194 178.269 -1.075 17603 5107 1 6 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.718 0.504 17603 5108 1 6 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.882 0.080 17603 5109 1 6 . 1 1 78 78 ILE H H 78 7.579 7.579 7.738 -0.159 17603 5110 1 6 . 1 1 79 79 LEU N N 79 115.459 115.459 117.794 -2.335 17603 5111 1 6 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.021 -0.261 17603 5112 1 6 . 1 1 79 79 LEU C C 79 178.673 178.673 178.113 0.560 17603 5113 1 6 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.953 0.264 17603 5114 1 6 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.624 -0.180 17603 5115 1 6 . 1 1 79 79 LEU H H 79 7.929 7.929 8.034 -0.105 17603 5116 1 6 . 1 1 80 80 ARG N N 80 114.830 114.830 114.606 0.224 17603 5117 1 6 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.313 -0.057 17603 5118 1 6 . 1 1 80 80 ARG C C 80 175.076 175.076 175.791 -0.715 17603 5119 1 6 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.145 -0.116 17603 5120 1 6 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.607 -0.232 17603 5121 1 6 . 1 1 80 80 ARG H H 80 7.680 7.680 7.643 0.037 17603 5122 1 6 . 1 1 81 81 ASN N N 81 120.935 120.935 118.734 2.201 17603 5123 1 6 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.795 -0.036 17603 5124 1 6 . 1 1 81 81 ASN C C 81 174.612 174.612 175.216 -0.604 17603 5125 1 6 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.293 0.221 17603 5126 1 6 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.304 -0.505 17603 5127 1 6 . 1 1 81 81 ASN H H 81 7.516 7.516 7.507 0.009 17603 5128 1 6 . 1 1 82 82 ALA N N 82 128.007 128.007 129.604 -1.597 17603 5129 1 6 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.167 -0.095 17603 5130 1 6 . 1 1 82 82 ALA C C 82 178.837 178.837 178.564 0.273 17603 5131 1 6 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.557 0.328 17603 5132 1 6 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.830 0.147 17603 5133 1 6 . 1 1 82 82 ALA H H 82 8.784 8.784 8.971 -0.187 17603 5134 1 6 . 1 1 83 83 LYS N N 83 114.232 114.232 117.382 -3.150 17603 5135 1 6 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.231 -0.000 17603 5136 1 6 . 1 1 83 83 LYS C C 83 177.362 177.362 178.630 -1.268 17603 5137 1 6 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.547 -0.982 17603 5138 1 6 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.970 -0.167 17603 5139 1 6 . 1 1 83 83 LYS H H 83 8.075 8.075 8.211 -0.136 17603 5140 1 6 . 1 1 84 84 LEU N N 84 115.899 115.899 120.303 -4.404 17603 5141 1 6 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.182 -0.003 17603 5142 1 6 . 1 1 84 84 LEU C C 84 178.322 178.322 178.268 0.054 17603 5143 1 6 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.236 -0.605 17603 5144 1 6 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.091 0.842 17603 5145 1 6 . 1 1 84 84 LEU H H 84 7.422 7.422 8.465 -1.043 17603 5146 1 6 . 1 1 85 85 LYS N N 85 120.723 120.723 120.632 0.091 17603 5147 1 6 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.009 0.527 17603 5148 1 6 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.495 -0.532 17603 5149 1 6 . 1 1 85 85 LYS H H 85 8.407 8.407 8.401 0.006 17603 5150 1 6 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.325 0.136 17603 5151 1 6 . 1 1 86 86 PRO C C 86 180.075 180.075 179.204 0.871 17603 5152 1 6 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.819 0.025 17603 5153 1 6 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.129 -0.322 17603 5154 1 6 . 1 1 87 87 VAL N N 87 116.002 116.002 118.701 -2.699 17603 5155 1 6 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.760 0.030 17603 5156 1 6 . 1 1 87 87 VAL C C 87 178.477 178.477 178.287 0.190 17603 5157 1 6 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.303 -0.870 17603 5158 1 6 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.766 -0.270 17603 5159 1 6 . 1 1 87 87 VAL H H 87 6.903 6.903 7.281 -0.378 17603 5160 1 6 . 1 1 88 88 TYR N N 88 123.146 123.146 121.276 1.870 17603 5161 1 6 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.142 -0.205 17603 5162 1 6 . 1 1 88 88 TYR C C 88 177.346 177.346 178.189 -0.843 17603 5163 1 6 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.992 1.020 17603 5164 1 6 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.417 1.278 17603 5165 1 6 . 1 1 88 88 TYR H H 88 8.454 8.454 8.713 -0.259 17603 5166 1 6 . 1 1 89 89 ASP N N 89 117.059 117.059 117.632 -0.573 17603 5167 1 6 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.359 -0.051 17603 5168 1 6 . 1 1 89 89 ASP C C 89 178.136 178.136 178.451 -0.315 17603 5169 1 6 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.285 -0.660 17603 5170 1 6 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.152 0.434 17603 5171 1 6 . 1 1 89 89 ASP H H 89 9.057 9.057 8.928 0.129 17603 5172 1 6 . 1 1 90 90 SER N N 90 113.398 113.398 114.095 -0.697 17603 5173 1 6 . 1 1 90 90 SER HA H 90 4.435 4.435 4.338 0.097 17603 5174 1 6 . 1 1 90 90 SER C C 90 174.464 174.464 175.020 -0.556 17603 5175 1 6 . 1 1 90 90 SER CA C 90 59.549 59.549 59.562 -0.013 17603 5176 1 6 . 1 1 90 90 SER CB C 90 64.598 64.598 63.444 1.154 17603 5177 1 6 . 1 1 90 90 SER H H 90 7.385 7.385 7.644 -0.259 17603 5178 1 6 . 1 1 91 91 LEU N N 91 123.580 123.580 123.688 -0.108 17603 5179 1 6 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.511 -0.098 17603 5180 1 6 . 1 1 91 91 LEU C C 91 176.375 176.375 176.807 -0.432 17603 5181 1 6 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.008 1.062 17603 5182 1 6 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.125 -0.315 17603 5183 1 6 . 1 1 91 91 LEU H H 91 7.477 7.477 7.358 0.119 17603 5184 1 6 . 1 1 92 92 ASP N N 92 116.218 116.218 122.031 -5.813 17603 5185 1 6 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.480 0.086 17603 5186 1 6 . 1 1 92 92 ASP C C 92 175.360 175.360 176.714 -1.354 17603 5187 1 6 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.969 -1.382 17603 5188 1 6 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.148 0.692 17603 5189 1 6 . 1 1 92 92 ASP H H 92 7.440 7.440 8.457 -1.017 17603 5190 1 6 . 1 1 93 93 ALA N N 93 119.801 119.801 122.083 -2.282 17603 5191 1 6 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.045 -0.305 17603 5192 1 6 . 1 1 93 93 ALA C C 93 179.894 179.894 179.752 0.142 17603 5193 1 6 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.815 1.414 17603 5194 1 6 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.860 0.449 17603 5195 1 6 . 1 1 93 93 ALA H H 93 8.682 8.682 8.539 0.143 17603 5196 1 6 . 1 1 94 94 VAL N N 94 118.735 118.735 118.200 0.535 17603 5197 1 6 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.234 -0.206 17603 5198 1 6 . 1 1 94 94 VAL C C 94 177.116 177.116 177.860 -0.744 17603 5199 1 6 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.784 -0.066 17603 5200 1 6 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.139 -0.199 17603 5201 1 6 . 1 1 94 94 VAL H H 94 7.580 7.580 7.586 -0.006 17603 5202 1 6 . 1 1 95 95 ARG N N 95 119.108 119.108 118.656 0.452 17603 5203 1 6 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.682 -0.402 17603 5204 1 6 . 1 1 95 95 ARG C C 95 178.366 178.366 178.756 -0.390 17603 5205 1 6 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.421 0.993 17603 5206 1 6 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.985 0.438 17603 5207 1 6 . 1 1 95 95 ARG H H 95 7.729 7.729 8.108 -0.379 17603 5208 1 6 . 1 1 96 96 ARG N N 96 118.307 118.307 119.593 -1.286 17603 5209 1 6 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.989 -0.335 17603 5210 1 6 . 1 1 96 96 ARG C C 96 177.841 177.841 178.401 -0.560 17603 5211 1 6 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.402 1.256 17603 5212 1 6 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.698 0.813 17603 5213 1 6 . 1 1 96 96 ARG H H 96 8.638 8.638 8.401 0.237 17603 5214 1 6 . 1 1 97 97 ALA N N 97 120.196 120.196 121.345 -1.149 17603 5215 1 6 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.009 -0.022 17603 5216 1 6 . 1 1 97 97 ALA C C 97 178.768 178.768 178.938 -0.170 17603 5217 1 6 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.105 0.129 17603 5218 1 6 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.236 0.018 17603 5219 1 6 . 1 1 97 97 ALA H H 97 7.019 7.019 7.458 -0.439 17603 5220 1 6 . 1 1 98 98 ALA N N 98 119.143 119.143 121.225 -2.082 17603 5221 1 6 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.739 -0.167 17603 5222 1 6 . 1 1 98 98 ALA C C 98 177.328 177.328 179.046 -1.718 17603 5223 1 6 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.539 0.898 17603 5224 1 6 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.427 -1.534 17603 5225 1 6 . 1 1 98 98 ALA H H 98 7.097 7.097 7.243 -0.146 17603 5226 1 6 . 1 1 99 99 ALA N N 99 119.971 119.971 121.241 -1.270 17603 5227 1 6 . 1 1 99 99 ALA HA H 99 3.596 3.596 3.791 -0.195 17603 5228 1 6 . 1 1 99 99 ALA C C 99 178.026 178.026 179.434 -1.408 17603 5229 1 6 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.194 0.190 17603 5230 1 6 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.805 -0.388 17603 5231 1 6 . 1 1 99 99 ALA H H 99 7.665 7.665 7.691 -0.026 17603 5232 1 6 . 1 1 100 100 ILE N N 100 116.372 116.372 117.872 -1.500 17603 5233 1 6 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.669 -0.337 17603 5234 1 6 . 1 1 100 100 ILE C C 100 177.103 177.103 177.084 0.019 17603 5235 1 6 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.168 -0.510 17603 5236 1 6 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.786 -0.775 17603 5237 1 6 . 1 1 100 100 ILE H H 100 8.110 8.110 8.148 -0.038 17603 5238 1 6 . 1 1 101 101 ASN N N 101 116.550 116.550 117.005 -0.455 17603 5239 1 6 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.460 -0.573 17603 5240 1 6 . 1 1 101 101 ASN C C 101 177.350 177.350 177.818 -0.468 17603 5241 1 6 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.704 1.392 17603 5242 1 6 . 1 1 101 101 ASN CB C 101 38.922 38.922 39.032 -0.111 17603 5243 1 6 . 1 1 101 101 ASN H H 101 8.098 8.098 7.952 0.146 17603 5244 1 6 . 1 1 102 102 MET N N 102 114.177 114.177 118.449 -4.272 17603 5245 1 6 . 1 1 102 102 MET HA H 102 3.746 3.746 4.062 -0.316 17603 5246 1 6 . 1 1 102 102 MET C C 102 177.507 177.507 177.829 -0.322 17603 5247 1 6 . 1 1 102 102 MET CA C 102 60.473 60.473 57.861 2.612 17603 5248 1 6 . 1 1 102 102 MET CB C 102 33.218 33.218 32.239 0.979 17603 5249 1 6 . 1 1 102 102 MET H H 102 7.647 7.647 8.096 -0.449 17603 5250 1 6 . 1 1 103 103 VAL N N 103 107.836 107.836 112.199 -4.363 17603 5251 1 6 . 1 1 103 103 VAL HA H 103 4.198 4.198 4.109 0.089 17603 5252 1 6 . 1 1 103 103 VAL C C 103 175.893 175.893 175.843 0.050 17603 5253 1 6 . 1 1 103 103 VAL CA C 103 60.939 60.939 61.034 -0.095 17603 5254 1 6 . 1 1 103 103 VAL CB C 103 31.098 31.098 31.065 0.033 17603 5255 1 6 . 1 1 103 103 VAL H H 103 7.332 7.332 7.519 -0.188 17603 5256 1 6 . 1 1 104 104 PHE N N 104 125.985 125.985 121.010 4.975 17603 5257 1 6 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.331 -0.224 17603 5258 1 6 . 1 1 104 104 PHE C C 104 176.884 176.884 176.247 0.637 17603 5259 1 6 . 1 1 104 104 PHE CA C 104 60.915 60.915 60.708 0.207 17603 5260 1 6 . 1 1 104 104 PHE CB C 104 39.768 39.768 40.020 -0.251 17603 5261 1 6 . 1 1 104 104 PHE H H 104 7.978 7.978 7.728 0.250 17603 5262 1 6 . 1 1 105 105 GLN N N 105 120.302 120.302 115.871 4.431 17603 5263 1 6 . 1 1 105 105 GLN HA H 105 3.510 3.510 4.116 -0.606 17603 5264 1 6 . 1 1 105 105 GLN C C 105 174.976 174.976 175.381 -0.405 17603 5265 1 6 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.378 1.352 17603 5266 1 6 . 1 1 105 105 GLN CB C 105 27.304 27.304 29.698 -2.394 17603 5267 1 6 . 1 1 105 105 GLN H H 105 8.448 8.448 8.367 0.081 17603 5268 1 6 . 1 1 106 106 MET N N 106 117.189 117.189 115.756 1.433 17603 5269 1 6 . 1 1 106 106 MET HA H 106 4.184 4.184 4.054 0.130 17603 5270 1 6 . 1 1 106 106 MET C C 106 176.961 176.961 175.895 1.066 17603 5271 1 6 . 1 1 106 106 MET CA C 106 54.873 54.873 55.643 -0.770 17603 5272 1 6 . 1 1 106 106 MET CB C 106 30.057 30.057 30.715 -0.658 17603 5273 1 6 . 1 1 106 106 MET H H 106 8.987 8.987 7.870 1.117 17603 5274 1 6 . 1 1 107 107 GLY N N 107 107.787 107.787 106.122 1.665 17603 5275 1 6 . 1 1 107 107 GLY C C 107 174.999 174.999 175.100 -0.101 17603 5276 1 6 . 1 1 107 107 GLY CA C 107 46.219 46.219 43.851 2.368 17603 5277 1 6 . 1 1 107 107 GLY H H 107 7.777 7.777 8.033 -0.256 17603 5278 1 6 . 1 1 108 108 GLU N N 108 123.604 123.604 124.000 -0.396 17603 5279 1 6 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.003 -0.019 17603 5280 1 6 . 1 1 108 108 GLU C C 108 179.574 179.574 178.445 1.129 17603 5281 1 6 . 1 1 108 108 GLU CA C 108 59.944 59.944 60.160 -0.216 17603 5282 1 6 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.604 0.335 17603 5283 1 6 . 1 1 108 108 GLU H H 108 8.779 8.779 8.871 -0.092 17603 5284 1 6 . 1 1 109 109 THR N N 109 111.822 111.822 114.903 -3.081 17603 5285 1 6 . 1 1 109 109 THR HA H 109 4.176 4.176 4.183 -0.007 17603 5286 1 6 . 1 1 109 109 THR C C 109 178.459 178.459 176.762 1.697 17603 5287 1 6 . 1 1 109 109 THR CA C 109 65.535 65.535 67.421 -1.886 17603 5288 1 6 . 1 1 109 109 THR CB C 109 67.945 67.945 68.257 -0.312 17603 5289 1 6 . 1 1 109 109 THR H H 109 8.576 8.576 8.574 0.002 17603 5290 1 6 . 1 1 110 110 GLY N N 110 115.113 115.113 109.992 5.121 17603 5291 1 6 . 1 1 110 110 GLY C C 110 175.653 175.653 175.603 0.050 17603 5292 1 6 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.142 1.075 17603 5293 1 6 . 1 1 110 110 GLY H H 110 8.521 8.521 8.105 0.416 17603 5294 1 6 . 1 1 111 111 VAL N N 111 120.852 120.852 122.717 -1.865 17603 5295 1 6 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.618 -0.097 17603 5296 1 6 . 1 1 111 111 VAL C C 111 179.689 179.689 177.909 1.780 17603 5297 1 6 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.352 0.702 17603 5298 1 6 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.715 0.117 17603 5299 1 6 . 1 1 111 111 VAL H H 111 8.048 8.048 8.172 -0.124 17603 5300 1 6 . 1 1 112 112 ALA N N 112 124.525 124.525 122.321 2.204 17603 5301 1 6 . 1 1 112 112 ALA HA H 112 4.142 4.142 3.952 0.190 17603 5302 1 6 . 1 1 112 112 ALA C C 112 179.412 179.412 179.086 0.326 17603 5303 1 6 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.193 0.230 17603 5304 1 6 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.104 0.154 17603 5305 1 6 . 1 1 112 112 ALA H H 112 8.255 8.255 8.053 0.202 17603 5306 1 6 . 1 1 113 113 ALA N N 113 120.490 120.490 121.324 -0.834 17603 5307 1 6 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.137 0.045 17603 5308 1 6 . 1 1 113 113 ALA C C 113 179.965 179.965 179.910 0.055 17603 5309 1 6 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.592 0.378 17603 5310 1 6 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.652 -0.589 17603 5311 1 6 . 1 1 113 113 ALA H H 113 7.861 7.861 7.989 -0.128 17603 5312 1 6 . 1 1 114 114 PHE N N 114 120.157 120.157 119.929 0.228 17603 5313 1 6 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.329 -0.272 17603 5314 1 6 . 1 1 114 114 PHE C C 114 177.765 177.765 178.086 -0.321 17603 5315 1 6 . 1 1 114 114 PHE CA C 114 59.933 59.933 59.852 0.081 17603 5316 1 6 . 1 1 114 114 PHE CB C 114 39.124 39.124 39.090 0.034 17603 5317 1 6 . 1 1 114 114 PHE H H 114 8.126 8.126 8.363 -0.237 17603 5318 1 6 . 1 1 115 115 THR N N 115 114.478 114.478 114.827 -0.349 17603 5319 1 6 . 1 1 115 115 THR HA H 115 3.470 3.470 3.870 -0.400 17603 5320 1 6 . 1 1 115 115 THR C C 115 176.924 176.924 176.082 0.842 17603 5321 1 6 . 1 1 115 115 THR CA C 115 67.000 67.000 66.578 0.422 17603 5322 1 6 . 1 1 115 115 THR CB C 115 68.320 68.320 68.446 -0.126 17603 5323 1 6 . 1 1 115 115 THR H H 115 8.504 8.504 8.552 -0.048 17603 5324 1 6 . 1 1 116 116 ASN N N 116 119.632 119.632 118.221 1.411 17603 5325 1 6 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.729 -0.229 17603 5326 1 6 . 1 1 116 116 ASN C C 116 176.009 176.009 175.537 0.472 17603 5327 1 6 . 1 1 116 116 ASN CA C 116 57.243 57.243 54.239 3.004 17603 5328 1 6 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.535 0.065 17603 5329 1 6 . 1 1 116 116 ASN H H 116 8.337 8.337 7.712 0.625 17603 5330 1 6 . 1 1 117 117 SER N N 117 112.765 112.765 113.643 -0.878 17603 5331 1 6 . 1 1 117 117 SER HA H 117 4.590 4.590 4.501 0.089 17603 5332 1 6 . 1 1 117 117 SER C C 117 174.808 174.808 175.231 -0.423 17603 5333 1 6 . 1 1 117 117 SER CA C 117 59.470 59.470 58.490 0.980 17603 5334 1 6 . 1 1 117 117 SER CB C 117 64.474 64.474 64.165 0.310 17603 5335 1 6 . 1 1 117 117 SER H H 117 7.424 7.424 7.582 -0.158 17603 5336 1 6 . 1 1 118 118 LEU N N 118 122.210 122.210 123.061 -0.851 17603 5337 1 6 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.158 0.492 17603 5338 1 6 . 1 1 118 118 LEU H H 118 7.195 7.195 6.991 0.204 17603 5339 1 6 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.175 0.107 17603 5340 1 6 . 1 1 119 119 PRO C C 119 179.207 179.207 178.676 0.531 17603 5341 1 6 . 1 1 119 119 PRO CA C 119 66.239 66.239 65.895 0.344 17603 5342 1 6 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.369 -0.399 17603 5343 1 6 . 1 1 120 120 MET N N 120 112.465 112.465 115.818 -3.353 17603 5344 1 6 . 1 1 120 120 MET HA H 120 4.005 4.005 4.124 -0.119 17603 5345 1 6 . 1 1 120 120 MET C C 120 178.137 178.137 178.525 -0.388 17603 5346 1 6 . 1 1 120 120 MET CA C 120 58.747 58.747 57.868 0.879 17603 5347 1 6 . 1 1 120 120 MET CB C 120 32.510 32.510 31.399 1.111 17603 5348 1 6 . 1 1 120 120 MET H H 120 7.126 7.126 7.853 -0.727 17603 5349 1 6 . 1 1 121 121 LEU N N 121 118.534 118.534 119.376 -0.842 17603 5350 1 6 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.940 -0.099 17603 5351 1 6 . 1 1 121 121 LEU C C 121 180.140 180.140 179.761 0.379 17603 5352 1 6 . 1 1 121 121 LEU CA C 121 57.379 57.379 57.911 -0.532 17603 5353 1 6 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.282 0.855 17603 5354 1 6 . 1 1 121 121 LEU H H 121 7.695 7.695 8.118 -0.423 17603 5355 1 6 . 1 1 122 122 GLN N N 122 119.537 119.537 119.369 0.168 17603 5356 1 6 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.024 -0.162 17603 5357 1 6 . 1 1 122 122 GLN C C 122 176.722 176.722 177.803 -1.081 17603 5358 1 6 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.222 0.618 17603 5359 1 6 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.763 0.028 17603 5360 1 6 . 1 1 122 122 GLN H H 122 8.845 8.845 8.302 0.543 17603 5361 1 6 . 1 1 123 123 GLN N N 123 113.333 113.333 115.618 -2.285 17603 5362 1 6 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.207 -0.053 17603 5363 1 6 . 1 1 123 123 GLN C C 123 174.075 174.075 175.085 -1.010 17603 5364 1 6 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.565 -0.556 17603 5365 1 6 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.884 0.849 17603 5366 1 6 . 1 1 123 123 GLN H H 123 6.862 6.862 7.413 -0.551 17603 5367 1 6 . 1 1 124 124 LYS N N 124 114.431 114.431 114.498 -0.067 17603 5368 1 6 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.267 2.188 17603 5369 1 6 . 1 1 124 124 LYS C C 124 174.727 174.727 175.138 -0.411 17603 5370 1 6 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.405 0.044 17603 5371 1 6 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.816 -0.433 17603 5372 1 6 . 1 1 124 124 LYS H H 124 7.238 7.238 7.389 -0.151 17603 5373 1 6 . 1 1 125 125 ARG N N 125 119.411 119.411 118.680 0.731 17603 5374 1 6 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.180 0.080 17603 5375 1 6 . 1 1 125 125 ARG C C 125 177.251 177.251 176.362 0.889 17603 5376 1 6 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.533 -0.960 17603 5377 1 6 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.584 -0.373 17603 5378 1 6 . 1 1 125 125 ARG H H 125 7.651 7.651 7.741 -0.090 17603 5379 1 6 . 1 1 126 126 TRP N N 126 119.823 119.823 123.552 -3.729 17603 5380 1 6 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.261 0.061 17603 5381 1 6 . 1 1 126 126 TRP C C 126 178.830 178.830 177.721 1.109 17603 5382 1 6 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.466 -1.642 17603 5383 1 6 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.301 2.160 17603 5384 1 6 . 1 1 126 126 TRP H H 126 6.865 6.865 7.443 -0.578 17603 5385 1 6 . 1 1 127 127 ASP N N 127 116.894 116.894 117.799 -0.905 17603 5386 1 6 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.408 -0.008 17603 5387 1 6 . 1 1 127 127 ASP C C 127 178.748 178.748 178.559 0.189 17603 5388 1 6 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.986 -0.301 17603 5389 1 6 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.836 0.211 17603 5390 1 6 . 1 1 127 127 ASP H H 127 8.598 8.598 8.848 -0.250 17603 5391 1 6 . 1 1 128 128 GLU N N 128 120.788 120.788 120.279 0.509 17603 5392 1 6 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.078 -0.104 17603 5393 1 6 . 1 1 128 128 GLU C C 128 180.057 180.057 178.441 1.616 17603 5394 1 6 . 1 1 128 128 GLU CA C 128 59.526 59.526 58.979 0.547 17603 5395 1 6 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.922 0.949 17603 5396 1 6 . 1 1 128 128 GLU H H 128 8.191 8.191 8.283 -0.092 17603 5397 1 6 . 1 1 129 129 ALA N N 129 122.103 122.103 122.377 -0.274 17603 5398 1 6 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.910 0.060 17603 5399 1 6 . 1 1 129 129 ALA C C 129 178.495 178.495 179.302 -0.807 17603 5400 1 6 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.264 -0.221 17603 5401 1 6 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.231 -0.460 17603 5402 1 6 . 1 1 129 129 ALA H H 129 8.587 8.587 8.581 0.006 17603 5403 1 6 . 1 1 130 130 ALA N N 130 119.336 119.336 121.219 -1.883 17603 5404 1 6 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.957 0.086 17603 5405 1 6 . 1 1 130 130 ALA C C 130 179.804 179.804 179.636 0.168 17603 5406 1 6 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.157 0.661 17603 5407 1 6 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.492 0.404 17603 5408 1 6 . 1 1 130 130 ALA H H 130 8.235 8.235 8.063 0.172 17603 5409 1 6 . 1 1 131 131 VAL N N 131 118.685 118.685 119.015 -0.330 17603 5410 1 6 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.398 0.181 17603 5411 1 6 . 1 1 131 131 VAL C C 131 178.078 178.078 177.789 0.289 17603 5412 1 6 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.810 -0.491 17603 5413 1 6 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.509 0.626 17603 5414 1 6 . 1 1 131 131 VAL H H 131 7.697 7.697 8.176 -0.479 17603 5415 1 6 . 1 1 132 132 ASN N N 132 118.648 118.648 118.285 0.363 17603 5416 1 6 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.405 -0.144 17603 5417 1 6 . 1 1 132 132 ASN C C 132 178.965 178.965 177.811 1.154 17603 5418 1 6 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.497 0.675 17603 5419 1 6 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.457 1.341 17603 5420 1 6 . 1 1 132 132 ASN H H 132 7.569 7.569 8.066 -0.497 17603 5421 1 6 . 1 1 133 133 LEU N N 133 120.750 120.750 119.443 1.307 17603 5422 1 6 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.319 -0.093 17603 5423 1 6 . 1 1 133 133 LEU C C 133 179.956 179.956 179.518 0.438 17603 5424 1 6 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.752 0.325 17603 5425 1 6 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.042 1.971 17603 5426 1 6 . 1 1 133 133 LEU H H 133 8.903 8.903 8.054 0.849 17603 5427 1 6 . 1 1 134 134 ALA N N 134 121.339 121.339 120.740 0.599 17603 5428 1 6 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.607 0.045 17603 5429 1 6 . 1 1 134 134 ALA C C 134 176.582 176.582 178.009 -1.427 17603 5430 1 6 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.961 -0.766 17603 5431 1 6 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.376 -0.840 17603 5432 1 6 . 1 1 134 134 ALA H H 134 7.681 7.681 7.809 -0.128 17603 5433 1 6 . 1 1 135 135 LYS N N 135 116.197 116.197 115.486 0.711 17603 5434 1 6 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.377 -0.007 17603 5435 1 6 . 1 1 135 135 LYS C C 135 176.573 176.573 176.191 0.382 17603 5436 1 6 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.864 -0.300 17603 5437 1 6 . 1 1 135 135 LYS CB C 135 32.696 32.696 33.017 -0.322 17603 5438 1 6 . 1 1 135 135 LYS H H 135 7.168 7.168 7.714 -0.546 17603 5439 1 6 . 1 1 136 136 SER N N 136 115.115 115.115 115.740 -0.625 17603 5440 1 6 . 1 1 136 136 SER HA H 136 4.503 4.503 4.541 -0.038 17603 5441 1 6 . 1 1 136 136 SER C C 136 174.968 174.968 175.555 -0.587 17603 5442 1 6 . 1 1 136 136 SER CA C 136 58.565 58.565 57.929 0.636 17603 5443 1 6 . 1 1 136 136 SER CB C 136 66.690 66.690 65.102 1.588 17603 5444 1 6 . 1 1 136 136 SER H H 136 7.546 7.546 7.813 -0.267 17603 5445 1 6 . 1 1 137 137 ARG N N 137 122.827 122.827 123.388 -0.561 17603 5446 1 6 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.163 0.034 17603 5447 1 6 . 1 1 137 137 ARG C C 137 178.570 178.570 177.897 0.673 17603 5448 1 6 . 1 1 137 137 ARG CA C 137 59.338 59.338 60.220 -0.882 17603 5449 1 6 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.277 -0.485 17603 5450 1 6 . 1 1 137 137 ARG H H 137 8.786 8.786 8.957 -0.171 17603 5451 1 6 . 1 1 138 138 TRP N N 138 119.297 119.297 120.559 -1.262 17603 5452 1 6 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.379 -0.301 17603 5453 1 6 . 1 1 138 138 TRP C C 138 176.101 176.101 177.681 -1.580 17603 5454 1 6 . 1 1 138 138 TRP CA C 138 61.807 61.807 59.852 1.955 17603 5455 1 6 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.343 -0.568 17603 5456 1 6 . 1 1 138 138 TRP H H 138 8.256 8.256 8.372 -0.116 17603 5457 1 6 . 1 1 139 139 TYR N N 139 117.950 117.950 118.630 -0.680 17603 5458 1 6 . 1 1 139 139 TYR HA H 139 3.116 3.116 4.173 -1.057 17603 5459 1 6 . 1 1 139 139 TYR C C 139 175.615 175.615 176.692 -1.077 17603 5460 1 6 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.120 -0.319 17603 5461 1 6 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.369 0.447 17603 5462 1 6 . 1 1 139 139 TYR H H 139 7.786 7.786 7.886 -0.100 17603 5463 1 6 . 1 1 140 140 ASN N N 140 111.511 111.511 116.717 -5.206 17603 5464 1 6 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.532 -0.281 17603 5465 1 6 . 1 1 140 140 ASN C C 140 176.804 176.804 176.779 0.025 17603 5466 1 6 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.072 0.287 17603 5467 1 6 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.279 1.311 17603 5468 1 6 . 1 1 140 140 ASN H H 140 7.115 7.115 7.914 -0.799 17603 5469 1 6 . 1 1 141 141 GLN N N 141 117.466 117.466 117.290 0.176 17603 5470 1 6 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.290 -0.177 17603 5471 1 6 . 1 1 141 141 GLN CA C 141 57.729 57.729 56.910 0.819 17603 5472 1 6 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.783 -0.136 17603 5473 1 6 . 1 1 141 141 GLN H H 141 7.855 7.855 7.717 0.138 17603 5474 1 6 . 1 1 142 142 THR N N 142 110.630 110.630 110.298 0.332 17603 5475 1 6 . 1 1 142 142 THR CA C 142 56.326 56.326 59.306 -2.980 17603 5476 1 6 . 1 1 142 142 THR CB C 142 69.490 69.490 69.427 0.063 17603 5477 1 6 . 1 1 142 142 THR H H 142 6.964 6.964 7.643 -0.679 17603 5478 1 6 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.457 0.204 17603 5479 1 6 . 1 1 143 143 PRO C C 143 178.494 178.494 177.557 0.937 17603 5480 1 6 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.620 0.992 17603 5481 1 6 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.674 0.198 17603 5482 1 6 . 1 1 144 144 ASN N N 144 116.334 116.334 116.913 -0.579 17603 5483 1 6 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.386 -0.071 17603 5484 1 6 . 1 1 144 144 ASN C C 144 177.341 177.341 177.426 -0.085 17603 5485 1 6 . 1 1 144 144 ASN CA C 144 56.668 56.668 55.942 0.726 17603 5486 1 6 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.550 0.117 17603 5487 1 6 . 1 1 144 144 ASN H H 144 7.971 7.971 8.564 -0.593 17603 5488 1 6 . 1 1 145 145 ARG N N 145 121.642 121.642 119.657 1.985 17603 5489 1 6 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.089 -0.159 17603 5490 1 6 . 1 1 145 145 ARG C C 145 177.087 177.087 178.225 -1.138 17603 5491 1 6 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.103 -0.968 17603 5492 1 6 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.143 1.312 17603 5493 1 6 . 1 1 145 145 ARG H H 145 7.750 7.750 8.206 -0.456 17603 5494 1 6 . 1 1 146 146 ALA N N 146 119.316 119.316 122.237 -2.921 17603 5495 1 6 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.283 -0.425 17603 5496 1 6 . 1 1 146 146 ALA C C 146 179.664 179.664 178.818 0.846 17603 5497 1 6 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.297 0.243 17603 5498 1 6 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.539 1.476 17603 5499 1 6 . 1 1 146 146 ALA H H 146 8.429 8.429 8.544 -0.115 17603 5500 1 6 . 1 1 147 147 LYS N N 147 116.714 116.714 119.409 -2.695 17603 5501 1 6 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.128 -0.087 17603 5502 1 6 . 1 1 147 147 LYS C C 147 179.974 179.974 178.918 1.056 17603 5503 1 6 . 1 1 147 147 LYS CA C 147 60.729 60.729 60.033 0.696 17603 5504 1 6 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.379 0.409 17603 5505 1 6 . 1 1 147 147 LYS H H 147 8.253 8.253 7.969 0.284 17603 5506 1 6 . 1 1 148 148 ARG N N 148 119.234 119.234 118.652 0.582 17603 5507 1 6 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.946 -0.113 17603 5508 1 6 . 1 1 148 148 ARG C C 148 180.146 180.146 178.950 1.196 17603 5509 1 6 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.319 1.474 17603 5510 1 6 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.037 0.201 17603 5511 1 6 . 1 1 148 148 ARG H H 148 7.279 7.279 7.591 -0.312 17603 5512 1 6 . 1 1 149 149 VAL N N 149 125.307 125.307 120.447 4.860 17603 5513 1 6 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.751 -0.294 17603 5514 1 6 . 1 1 149 149 VAL C C 149 178.460 178.460 178.279 0.181 17603 5515 1 6 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.496 1.672 17603 5516 1 6 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.951 0.504 17603 5517 1 6 . 1 1 149 149 VAL H H 149 8.816 8.816 7.483 1.333 17603 5518 1 6 . 1 1 150 150 ILE N N 150 121.097 121.097 120.951 0.146 17603 5519 1 6 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.937 -0.051 17603 5520 1 6 . 1 1 150 150 ILE C C 150 178.378 178.378 178.157 0.221 17603 5521 1 6 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.868 1.500 17603 5522 1 6 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.862 -0.163 17603 5523 1 6 . 1 1 150 150 ILE H H 150 9.547 9.547 8.917 0.630 17603 5524 1 6 . 1 1 151 151 THR N N 151 117.959 117.959 116.797 1.162 17603 5525 1 6 . 1 1 151 151 THR HA H 151 3.933 3.933 4.032 -0.099 17603 5526 1 6 . 1 1 151 151 THR C C 151 176.283 176.283 176.557 -0.274 17603 5527 1 6 . 1 1 151 151 THR CA C 151 67.403 67.403 67.645 -0.242 17603 5528 1 6 . 1 1 151 151 THR CB C 151 68.172 68.172 68.354 -0.182 17603 5529 1 6 . 1 1 151 151 THR H H 151 8.444 8.444 8.531 -0.087 17603 5530 1 6 . 1 1 152 152 THR N N 152 122.010 122.010 119.731 2.279 17603 5531 1 6 . 1 1 152 152 THR HA H 152 3.944 3.944 4.190 -0.246 17603 5532 1 6 . 1 1 152 152 THR C C 152 176.671 176.671 176.304 0.367 17603 5533 1 6 . 1 1 152 152 THR CA C 152 67.498 67.498 66.868 0.630 17603 5534 1 6 . 1 1 152 152 THR H H 152 7.964 7.964 7.764 0.200 17603 5535 1 6 . 1 1 153 153 PHE N N 153 120.387 120.387 121.188 -0.801 17603 5536 1 6 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.111 -0.158 17603 5537 1 6 . 1 1 153 153 PHE C C 153 178.321 178.321 177.441 0.880 17603 5538 1 6 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.703 1.006 17603 5539 1 6 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.354 0.986 17603 5540 1 6 . 1 1 153 153 PHE H H 153 8.375 8.375 8.227 0.148 17603 5541 1 6 . 1 1 154 154 ARG N N 154 118.015 118.015 119.653 -1.638 17603 5542 1 6 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.182 -0.112 17603 5543 1 6 . 1 1 154 154 ARG C C 154 178.076 178.076 178.510 -0.434 17603 5544 1 6 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.919 0.444 17603 5545 1 6 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.576 0.970 17603 5546 1 6 . 1 1 154 154 ARG H H 154 8.795 8.795 8.428 0.367 17603 5547 1 6 . 1 1 155 155 THR N N 155 104.622 104.622 108.824 -4.202 17603 5548 1 6 . 1 1 155 155 THR HA H 155 4.252 4.252 4.299 -0.047 17603 5549 1 6 . 1 1 155 155 THR C C 155 176.765 176.765 175.753 1.012 17603 5550 1 6 . 1 1 155 155 THR CA C 155 62.470 62.470 62.121 0.349 17603 5551 1 6 . 1 1 155 155 THR CB C 155 71.330 71.330 69.919 1.411 17603 5552 1 6 . 1 1 155 155 THR H H 155 8.169 8.169 7.910 0.259 17603 5553 1 6 . 1 1 156 156 GLY N N 156 111.689 111.689 112.334 -0.645 17603 5554 1 6 . 1 1 156 156 GLY C C 156 172.933 172.933 174.175 -1.242 17603 5555 1 6 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.927 0.240 17603 5556 1 6 . 1 1 156 156 GLY H H 156 8.491 8.491 8.021 0.470 17603 5557 1 6 . 1 1 157 157 THR N N 157 108.301 108.301 110.548 -2.247 17603 5558 1 6 . 1 1 157 157 THR HA H 157 4.637 4.637 4.375 0.262 17603 5559 1 6 . 1 1 157 157 THR C C 157 174.086 174.086 173.033 1.053 17603 5560 1 6 . 1 1 157 157 THR CA C 157 58.748 58.748 59.384 -0.636 17603 5561 1 6 . 1 1 157 157 THR CB C 157 72.418 72.418 71.529 0.889 17603 5562 1 6 . 1 1 157 157 THR H H 157 7.603 7.603 7.255 0.348 17603 5563 1 6 . 1 1 158 158 TRP N N 158 118.038 118.038 119.723 -1.685 17603 5564 1 6 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.934 0.130 17603 5565 1 6 . 1 1 158 158 TRP C C 158 177.922 177.922 176.870 1.052 17603 5566 1 6 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.467 -0.121 17603 5567 1 6 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.362 0.417 17603 5568 1 6 . 1 1 158 158 TRP H H 158 8.602 8.602 8.602 0.000 17603 5569 1 6 . 1 1 159 159 ASP N N 159 119.620 119.620 122.144 -2.524 17603 5570 1 6 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.457 -0.264 17603 5571 1 6 . 1 1 159 159 ASP C C 159 177.407 177.407 178.098 -0.691 17603 5572 1 6 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.615 1.164 17603 5573 1 6 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.244 0.430 17603 5574 1 6 . 1 1 159 159 ASP H H 159 7.909 7.909 7.844 0.065 17603 5575 1 6 . 1 1 160 160 ALA N N 160 119.985 119.985 121.160 -1.175 17603 5576 1 6 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.176 0.025 17603 5577 1 6 . 1 1 160 160 ALA C C 160 177.362 177.362 177.922 -0.560 17603 5578 1 6 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.658 0.071 17603 5579 1 6 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.522 0.096 17603 5580 1 6 . 1 1 160 160 ALA H H 160 9.187 9.187 8.337 0.850 17603 5581 1 6 . 1 1 161 161 TYR N N 161 113.735 113.735 113.295 0.440 17603 5582 1 6 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.638 -0.391 17603 5583 1 6 . 1 1 161 161 TYR C C 161 175.125 175.125 177.430 -2.305 17603 5584 1 6 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.234 0.675 17603 5585 1 6 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.414 0.442 17603 5586 1 6 . 1 1 161 161 TYR H H 161 8.061 8.061 8.011 0.050 17603 5587 1 6 . 1 1 162 162 LYS N N 162 119.491 119.491 120.351 -0.860 17603 5588 1 6 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.230 -0.081 17603 5589 1 6 . 1 1 162 162 LYS C C 162 176.030 176.030 177.876 -1.846 17603 5590 1 6 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.396 -0.938 17603 5591 1 6 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.206 -3.078 17603 5592 1 6 . 1 1 162 162 LYS H H 162 7.262 7.262 7.666 -0.404 17603 5593 1 6 . 1 1 163 163 ASN N N 163 117.131 117.131 115.962 1.169 17603 5594 1 6 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.680 -0.090 17603 5595 1 6 . 1 1 163 163 ASN C C 163 173.691 173.691 175.323 -1.632 17603 5596 1 6 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.504 0.380 17603 5597 1 6 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.060 -0.918 17603 5598 1 6 . 1 1 163 163 ASN H H 163 8.457 8.457 8.405 0.052 17603 5599 1 7 . 1 1 2 2 ASN N N 2 115.826 115.826 119.798 -3.972 17603 5600 1 7 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.571 -0.104 17603 5601 1 7 . 1 1 2 2 ASN C C 2 174.640 174.640 174.601 0.039 17603 5602 1 7 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.047 -0.133 17603 5603 1 7 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.049 0.195 17603 5604 1 7 . 1 1 2 2 ASN H H 2 6.923 6.923 7.739 -0.816 17603 5605 1 7 . 1 1 3 3 ILE N N 3 116.880 116.880 119.954 -3.074 17603 5606 1 7 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.877 0.200 17603 5607 1 7 . 1 1 3 3 ILE C C 3 174.099 174.099 176.432 -2.333 17603 5608 1 7 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.982 -1.351 17603 5609 1 7 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.925 0.267 17603 5610 1 7 . 1 1 3 3 ILE H H 3 8.815 8.815 8.496 0.319 17603 5611 1 7 . 1 1 4 4 PHE N N 4 121.992 121.992 118.802 3.190 17603 5612 1 7 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.191 -0.162 17603 5613 1 7 . 1 1 4 4 PHE C C 4 177.093 177.093 178.079 -0.986 17603 5614 1 7 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.281 -1.273 17603 5615 1 7 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.388 -0.228 17603 5616 1 7 . 1 1 4 4 PHE H H 4 7.336 7.336 8.040 -0.704 17603 5617 1 7 . 1 1 5 5 GLU N N 5 118.284 118.284 119.565 -1.281 17603 5618 1 7 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.909 -0.128 17603 5619 1 7 . 1 1 5 5 GLU C C 5 178.340 178.340 179.045 -0.705 17603 5620 1 7 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.170 -0.521 17603 5621 1 7 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.407 0.949 17603 5622 1 7 . 1 1 5 5 GLU H H 5 7.892 7.892 8.598 -0.706 17603 5623 1 7 . 1 1 6 6 MET N N 6 118.546 118.546 120.926 -2.380 17603 5624 1 7 . 1 1 6 6 MET HA H 6 3.314 3.314 3.796 -0.482 17603 5625 1 7 . 1 1 6 6 MET C C 6 177.078 177.078 178.057 -0.979 17603 5626 1 7 . 1 1 6 6 MET CA C 6 58.988 58.988 59.261 -0.273 17603 5627 1 7 . 1 1 6 6 MET CB C 6 34.498 34.498 32.594 1.904 17603 5628 1 7 . 1 1 6 6 MET H H 6 7.946 7.946 8.390 -0.444 17603 5629 1 7 . 1 1 7 7 LEU N N 7 116.516 116.516 118.310 -1.794 17603 5630 1 7 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.968 -0.000 17603 5631 1 7 . 1 1 7 7 LEU C C 7 178.579 178.579 178.781 -0.202 17603 5632 1 7 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.466 0.139 17603 5633 1 7 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.325 0.569 17603 5634 1 7 . 1 1 7 7 LEU H H 7 7.969 7.969 8.221 -0.252 17603 5635 1 7 . 1 1 8 8 ARG N N 8 120.793 120.793 120.123 0.670 17603 5636 1 7 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.856 -0.297 17603 5637 1 7 . 1 1 8 8 ARG C C 8 180.018 180.018 178.768 1.250 17603 5638 1 7 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.335 1.911 17603 5639 1 7 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.248 0.270 17603 5640 1 7 . 1 1 8 8 ARG H H 8 8.161 8.161 8.132 0.029 17603 5641 1 7 . 1 1 9 9 ILE N N 9 120.805 120.805 118.529 2.276 17603 5642 1 7 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.790 -0.217 17603 5643 1 7 . 1 1 9 9 ILE C C 9 177.878 177.878 177.353 0.525 17603 5644 1 7 . 1 1 9 9 ILE CA C 9 65.276 65.276 65.070 0.206 17603 5645 1 7 . 1 1 9 9 ILE CB C 9 38.273 38.273 37.931 0.342 17603 5646 1 7 . 1 1 9 9 ILE H H 9 7.628 7.628 7.956 -0.328 17603 5647 1 7 . 1 1 10 10 ASP N N 10 118.172 118.172 117.902 0.270 17603 5648 1 7 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.675 -0.269 17603 5649 1 7 . 1 1 10 10 ASP C C 10 178.041 178.041 178.767 -0.726 17603 5650 1 7 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.899 1.395 17603 5651 1 7 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.182 0.688 17603 5652 1 7 . 1 1 10 10 ASP H H 10 7.999 7.999 7.964 0.035 17603 5653 1 7 . 1 1 11 11 GLU N N 11 115.562 115.562 116.442 -0.880 17603 5654 1 7 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.560 0.081 17603 5655 1 7 . 1 1 11 11 GLU C C 11 178.197 178.197 177.451 0.746 17603 5656 1 7 . 1 1 11 11 GLU CA C 11 56.104 56.104 55.848 0.256 17603 5657 1 7 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.219 -0.124 17603 5658 1 7 . 1 1 11 11 GLU H H 11 8.855 8.855 8.336 0.519 17603 5659 1 7 . 1 1 12 12 GLY N N 12 109.971 109.971 108.562 1.409 17603 5660 1 7 . 1 1 12 12 GLY C C 12 170.049 170.049 171.934 -1.885 17603 5661 1 7 . 1 1 12 12 GLY CA C 12 44.694 44.694 44.997 -0.303 17603 5662 1 7 . 1 1 12 12 GLY H H 12 7.550 7.550 7.944 -0.394 17603 5663 1 7 . 1 1 13 13 LEU N N 13 117.547 117.547 121.464 -3.917 17603 5664 1 7 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.036 -0.578 17603 5665 1 7 . 1 1 13 13 LEU C C 13 175.566 175.566 175.118 0.448 17603 5666 1 7 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.522 0.050 17603 5667 1 7 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.632 -0.765 17603 5668 1 7 . 1 1 13 13 LEU H H 13 7.755 7.755 8.213 -0.458 17603 5669 1 7 . 1 1 14 14 ARG N N 14 126.722 126.722 125.083 1.639 17603 5670 1 7 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.656 0.029 17603 5671 1 7 . 1 1 14 14 ARG C C 14 175.979 175.979 175.904 0.075 17603 5672 1 7 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.879 -0.616 17603 5673 1 7 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.432 0.386 17603 5674 1 7 . 1 1 14 14 ARG H H 14 8.214 8.214 8.230 -0.016 17603 5675 1 7 . 1 1 15 15 LEU N N 15 123.112 123.112 121.328 1.784 17603 5676 1 7 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.389 -0.044 17603 5677 1 7 . 1 1 15 15 LEU C C 15 173.808 173.808 176.048 -2.240 17603 5678 1 7 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.073 -0.300 17603 5679 1 7 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.309 -2.537 17603 5680 1 7 . 1 1 15 15 LEU H H 15 8.823 8.823 8.652 0.171 17603 5681 1 7 . 1 1 16 16 LYS N N 16 115.048 115.048 119.354 -4.306 17603 5682 1 7 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.260 0.096 17603 5683 1 7 . 1 1 16 16 LYS C C 16 176.072 176.072 176.752 -0.680 17603 5684 1 7 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.202 -0.329 17603 5685 1 7 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.228 0.733 17603 5686 1 7 . 1 1 16 16 LYS H H 16 7.124 7.124 7.319 -0.195 17603 5687 1 7 . 1 1 17 17 ILE N N 17 120.916 120.916 126.321 -5.405 17603 5688 1 7 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.288 -0.180 17603 5689 1 7 . 1 1 17 17 ILE C C 17 174.826 174.826 176.488 -1.662 17603 5690 1 7 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.464 0.482 17603 5691 1 7 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.373 1.109 17603 5692 1 7 . 1 1 17 17 ILE H H 17 7.555 7.555 8.257 -0.702 17603 5693 1 7 . 1 1 18 18 TYR N N 18 128.021 128.021 125.976 2.045 17603 5694 1 7 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.114 -0.038 17603 5695 1 7 . 1 1 18 18 TYR C C 18 172.698 172.698 173.522 -0.824 17603 5696 1 7 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.291 0.315 17603 5697 1 7 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.907 0.607 17603 5698 1 7 . 1 1 18 18 TYR H H 18 9.340 9.340 9.087 0.253 17603 5699 1 7 . 1 1 19 19 LYS N N 19 122.578 122.578 120.909 1.669 17603 5700 1 7 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.549 -0.016 17603 5701 1 7 . 1 1 19 19 LYS C C 19 175.823 175.823 176.220 -0.397 17603 5702 1 7 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.003 0.103 17603 5703 1 7 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.869 0.351 17603 5704 1 7 . 1 1 19 19 LYS H H 19 8.260 8.260 8.412 -0.152 17603 5705 1 7 . 1 1 20 20 ASP N N 20 125.695 125.695 124.503 1.192 17603 5706 1 7 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.754 -0.163 17603 5707 1 7 . 1 1 20 20 ASP C C 20 178.065 178.065 178.268 -0.203 17603 5708 1 7 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.174 -0.390 17603 5709 1 7 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.585 -0.665 17603 5710 1 7 . 1 1 20 20 ASP H H 20 8.517 8.517 8.812 -0.295 17603 5711 1 7 . 1 1 21 21 THR N N 21 110.206 110.206 109.690 0.516 17603 5712 1 7 . 1 1 21 21 THR HA H 21 3.982 3.982 4.068 -0.086 17603 5713 1 7 . 1 1 21 21 THR C C 21 175.854 175.854 175.650 0.204 17603 5714 1 7 . 1 1 21 21 THR CA C 21 65.025 65.025 64.814 0.211 17603 5715 1 7 . 1 1 21 21 THR CB C 21 68.796 68.796 68.853 -0.057 17603 5716 1 7 . 1 1 21 21 THR H H 21 7.953 7.953 8.590 -0.637 17603 5717 1 7 . 1 1 22 22 GLU N N 22 120.359 120.359 119.901 0.458 17603 5718 1 7 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.310 -0.137 17603 5719 1 7 . 1 1 22 22 GLU C C 22 175.597 175.597 176.495 -0.898 17603 5720 1 7 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.652 0.646 17603 5721 1 7 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.779 0.574 17603 5722 1 7 . 1 1 22 22 GLU H H 22 8.013 8.013 8.108 -0.095 17603 5723 1 7 . 1 1 23 23 GLY N N 23 106.729 106.729 106.850 -0.121 17603 5724 1 7 . 1 1 23 23 GLY C C 23 173.526 173.526 173.917 -0.391 17603 5725 1 7 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.113 -0.147 17603 5726 1 7 . 1 1 23 23 GLY H H 23 7.841 7.841 7.865 -0.024 17603 5727 1 7 . 1 1 24 24 TYR N N 24 120.577 120.577 119.498 1.079 17603 5728 1 7 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.509 0.366 17603 5729 1 7 . 1 1 24 24 TYR C C 24 177.535 177.535 175.783 1.752 17603 5730 1 7 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.468 -1.225 17603 5731 1 7 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.072 -0.771 17603 5732 1 7 . 1 1 24 24 TYR H H 24 8.116 8.116 8.053 0.063 17603 5733 1 7 . 1 1 25 25 TYR N N 25 122.385 122.385 123.178 -0.793 17603 5734 1 7 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.884 0.051 17603 5735 1 7 . 1 1 25 25 TYR C C 25 175.310 175.310 176.192 -0.882 17603 5736 1 7 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.005 -0.211 17603 5737 1 7 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.874 2.018 17603 5738 1 7 . 1 1 25 25 TYR H H 25 8.679 8.679 8.877 -0.198 17603 5739 1 7 . 1 1 26 26 THR N N 26 120.628 120.628 118.033 2.595 17603 5740 1 7 . 1 1 26 26 THR HA H 26 5.179 5.179 5.030 0.149 17603 5741 1 7 . 1 1 26 26 THR C C 26 180.259 180.259 172.593 7.666 17603 5742 1 7 . 1 1 26 26 THR CA C 26 61.015 61.015 61.264 -0.249 17603 5743 1 7 . 1 1 26 26 THR CB C 26 72.424 72.424 72.379 0.045 17603 5744 1 7 . 1 1 26 26 THR H H 26 9.362 9.362 9.058 0.304 17603 5745 1 7 . 1 1 27 27 ILE N N 27 120.468 120.468 120.665 -0.197 17603 5746 1 7 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.512 0.034 17603 5747 1 7 . 1 1 27 27 ILE C C 27 172.440 172.440 174.634 -2.194 17603 5748 1 7 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.792 0.715 17603 5749 1 7 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.032 1.151 17603 5750 1 7 . 1 1 27 27 ILE H H 27 8.814 8.814 8.501 0.313 17603 5751 1 7 . 1 1 28 28 GLY N N 28 112.172 112.172 112.808 -0.636 17603 5752 1 7 . 1 1 28 28 GLY C C 28 174.772 174.772 174.200 0.572 17603 5753 1 7 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.078 -0.081 17603 5754 1 7 . 1 1 28 28 GLY H H 28 8.553 8.553 8.802 -0.249 17603 5755 1 7 . 1 1 29 29 ILE N N 29 133.320 133.320 125.121 8.199 17603 5756 1 7 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.421 0.405 17603 5757 1 7 . 1 1 29 29 ILE C C 29 176.677 176.677 176.631 0.046 17603 5758 1 7 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.783 -1.571 17603 5759 1 7 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.726 -0.865 17603 5760 1 7 . 1 1 29 29 ILE H H 29 10.142 10.142 8.654 1.488 17603 5761 1 7 . 1 1 30 30 GLY N N 30 108.192 108.192 112.513 -4.321 17603 5762 1 7 . 1 1 30 30 GLY C C 30 173.131 173.131 174.259 -1.128 17603 5763 1 7 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.059 1.132 17603 5764 1 7 . 1 1 30 30 GLY H H 30 8.121 8.121 8.395 -0.274 17603 5765 1 7 . 1 1 31 31 HIS N N 31 115.740 115.740 120.205 -4.465 17603 5766 1 7 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.585 -0.284 17603 5767 1 7 . 1 1 31 31 HIS C C 31 173.495 173.495 174.693 -1.198 17603 5768 1 7 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.815 1.859 17603 5769 1 7 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.648 -2.077 17603 5770 1 7 . 1 1 31 31 HIS H H 31 8.266 8.266 8.369 -0.103 17603 5771 1 7 . 1 1 32 32 LEU N N 32 132.140 132.140 128.635 3.505 17603 5772 1 7 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.990 0.099 17603 5773 1 7 . 1 1 32 32 LEU C C 32 176.486 176.486 175.554 0.932 17603 5774 1 7 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.431 0.409 17603 5775 1 7 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.149 -0.215 17603 5776 1 7 . 1 1 32 32 LEU H H 32 7.873 7.873 8.860 -0.987 17603 5777 1 7 . 1 1 33 33 LEU N N 33 125.594 125.594 126.210 -0.616 17603 5778 1 7 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.334 0.102 17603 5779 1 7 . 1 1 33 33 LEU C C 33 176.139 176.139 177.124 -0.985 17603 5780 1 7 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.909 -0.227 17603 5781 1 7 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.068 0.382 17603 5782 1 7 . 1 1 33 33 LEU H H 33 9.060 9.060 8.761 0.299 17603 5783 1 7 . 1 1 34 34 THR N N 34 109.512 109.512 109.037 0.475 17603 5784 1 7 . 1 1 34 34 THR HA H 34 4.485 4.485 4.390 0.095 17603 5785 1 7 . 1 1 34 34 THR C C 34 171.666 171.666 172.302 -0.636 17603 5786 1 7 . 1 1 34 34 THR CA C 34 60.278 60.278 61.358 -1.080 17603 5787 1 7 . 1 1 34 34 THR CB C 34 67.479 67.479 71.451 -3.972 17603 5788 1 7 . 1 1 34 34 THR H H 34 7.266 7.266 7.371 -0.105 17603 5789 1 7 . 1 1 35 35 LYS N N 35 125.041 125.041 122.564 2.477 17603 5790 1 7 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.040 0.254 17603 5791 1 7 . 1 1 35 35 LYS C C 35 176.714 176.714 176.761 -0.047 17603 5792 1 7 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.917 0.438 17603 5793 1 7 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.293 0.093 17603 5794 1 7 . 1 1 35 35 LYS H H 35 8.556 8.556 8.284 0.272 17603 5795 1 7 . 1 1 36 36 SER N N 36 119.417 119.417 117.702 1.715 17603 5796 1 7 . 1 1 36 36 SER CA C 36 57.016 57.016 56.277 0.739 17603 5797 1 7 . 1 1 36 36 SER CB C 36 64.053 64.053 63.780 0.273 17603 5798 1 7 . 1 1 36 36 SER H H 36 8.671 8.671 7.812 0.859 17603 5799 1 7 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.577 0.257 17603 5800 1 7 . 1 1 37 37 PRO C C 37 177.182 177.182 176.811 0.371 17603 5801 1 7 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.435 0.282 17603 5802 1 7 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.940 -1.288 17603 5803 1 7 . 1 1 38 38 SER N N 38 116.310 116.310 116.117 0.193 17603 5804 1 7 . 1 1 38 38 SER HA H 38 4.703 4.703 4.571 0.132 17603 5805 1 7 . 1 1 38 38 SER C C 38 174.405 174.405 175.306 -0.901 17603 5806 1 7 . 1 1 38 38 SER CA C 38 56.494 56.494 56.685 -0.191 17603 5807 1 7 . 1 1 38 38 SER CB C 38 63.608 63.608 63.570 0.038 17603 5808 1 7 . 1 1 38 38 SER H H 38 8.189 8.189 7.760 0.429 17603 5809 1 7 . 1 1 39 39 LEU N N 39 132.784 132.784 130.484 2.300 17603 5810 1 7 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.349 0.006 17603 5811 1 7 . 1 1 39 39 LEU C C 39 178.441 178.441 177.569 0.872 17603 5812 1 7 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.145 0.113 17603 5813 1 7 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.847 -0.362 17603 5814 1 7 . 1 1 39 39 LEU H H 39 8.916 8.916 8.792 0.124 17603 5815 1 7 . 1 1 40 40 ASN N N 40 116.840 116.840 117.512 -0.672 17603 5816 1 7 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.341 -0.078 17603 5817 1 7 . 1 1 40 40 ASN C C 40 178.226 178.226 177.433 0.793 17603 5818 1 7 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.977 0.361 17603 5819 1 7 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 5820 1 7 . 1 1 40 40 ASN H H 40 8.255 8.255 8.220 0.035 17603 5821 1 7 . 1 1 41 41 ALA N N 41 123.964 123.964 122.975 0.989 17603 5822 1 7 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.996 0.198 17603 5823 1 7 . 1 1 41 41 ALA C C 41 179.835 179.835 178.893 0.942 17603 5824 1 7 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.927 -0.059 17603 5825 1 7 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.353 -0.481 17603 5826 1 7 . 1 1 41 41 ALA H H 41 7.710 7.710 7.590 0.120 17603 5827 1 7 . 1 1 42 42 ALA N N 42 121.099 121.099 121.295 -0.196 17603 5828 1 7 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.871 -0.121 17603 5829 1 7 . 1 1 42 42 ALA C C 42 178.838 178.838 179.450 -0.612 17603 5830 1 7 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.101 0.432 17603 5831 1 7 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.079 0.496 17603 5832 1 7 . 1 1 42 42 ALA H H 42 7.571 7.571 7.856 -0.284 17603 5833 1 7 . 1 1 43 43 LYS N N 43 117.308 117.308 118.137 -0.829 17603 5834 1 7 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.892 -0.238 17603 5835 1 7 . 1 1 43 43 LYS C C 43 177.511 177.511 178.920 -1.409 17603 5836 1 7 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.715 0.944 17603 5837 1 7 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 5838 1 7 . 1 1 43 43 LYS H H 43 8.377 8.377 8.249 0.128 17603 5839 1 7 . 1 1 44 44 SER N N 44 114.066 114.066 115.250 -1.184 17603 5840 1 7 . 1 1 44 44 SER HA H 44 4.256 4.256 4.166 0.090 17603 5841 1 7 . 1 1 44 44 SER C C 44 177.894 177.894 176.608 1.286 17603 5842 1 7 . 1 1 44 44 SER CA C 44 61.764 61.764 61.396 0.368 17603 5843 1 7 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.169 17603 5844 1 7 . 1 1 44 44 SER H H 44 7.895 7.895 8.145 -0.250 17603 5845 1 7 . 1 1 45 45 GLU N N 45 120.349 120.349 121.230 -0.881 17603 5846 1 7 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.043 0.064 17603 5847 1 7 . 1 1 45 45 GLU C C 45 179.336 179.336 179.150 0.186 17603 5848 1 7 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.997 -0.571 17603 5849 1 7 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.325 0.023 17603 5850 1 7 . 1 1 45 45 GLU H H 45 7.988 7.988 7.880 0.108 17603 5851 1 7 . 1 1 46 46 LEU N N 46 122.887 122.887 122.341 0.546 17603 5852 1 7 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.063 -0.125 17603 5853 1 7 . 1 1 46 46 LEU C C 46 177.291 177.291 178.302 -1.011 17603 5854 1 7 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.187 -0.538 17603 5855 1 7 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.660 -0.044 17603 5856 1 7 . 1 1 46 46 LEU H H 46 8.286 8.286 8.318 -0.032 17603 5857 1 7 . 1 1 47 47 ASP N N 47 120.418 120.418 119.885 0.533 17603 5858 1 7 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.491 0.269 17603 5859 1 7 . 1 1 47 47 ASP C C 47 180.926 180.926 179.131 1.795 17603 5860 1 7 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.420 -0.102 17603 5861 1 7 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.253 -0.224 17603 5862 1 7 . 1 1 47 47 ASP H H 47 8.553 8.553 8.427 0.126 17603 5863 1 7 . 1 1 48 48 LYS N N 48 120.743 120.743 120.003 0.740 17603 5864 1 7 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.064 -0.061 17603 5865 1 7 . 1 1 48 48 LYS C C 48 178.198 178.198 178.307 -0.109 17603 5866 1 7 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.870 0.311 17603 5867 1 7 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.594 0.110 17603 5868 1 7 . 1 1 48 48 LYS H H 48 7.747 7.747 7.932 -0.185 17603 5869 1 7 . 1 1 49 49 ALA N N 49 121.258 121.258 121.926 -0.668 17603 5870 1 7 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.215 -0.059 17603 5871 1 7 . 1 1 49 49 ALA C C 49 179.386 179.386 179.201 0.185 17603 5872 1 7 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.553 -0.081 17603 5873 1 7 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.978 -0.744 17603 5874 1 7 . 1 1 49 49 ALA H H 49 7.925 7.925 7.968 -0.043 17603 5875 1 7 . 1 1 50 50 ILE N N 50 114.806 114.806 115.952 -1.146 17603 5876 1 7 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.055 0.023 17603 5877 1 7 . 1 1 50 50 ILE C C 50 177.205 177.205 177.212 -0.007 17603 5878 1 7 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.054 -1.952 17603 5879 1 7 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.431 -1.137 17603 5880 1 7 . 1 1 50 50 ILE H H 50 8.323 8.323 7.717 0.606 17603 5881 1 7 . 1 1 51 51 GLY N N 51 109.238 109.238 109.794 -0.556 17603 5882 1 7 . 1 1 51 51 GLY C C 51 173.771 173.771 173.779 -0.008 17603 5883 1 7 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.156 0.766 17603 5884 1 7 . 1 1 51 51 GLY H H 51 8.340 8.340 8.382 -0.042 17603 5885 1 7 . 1 1 52 52 ARG N N 52 115.526 115.526 116.558 -1.032 17603 5886 1 7 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.524 0.033 17603 5887 1 7 . 1 1 52 52 ARG C C 52 172.391 172.391 173.395 -1.004 17603 5888 1 7 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.816 0.264 17603 5889 1 7 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.308 -0.101 17603 5890 1 7 . 1 1 52 52 ARG H H 52 7.656 7.656 7.634 0.022 17603 5891 1 7 . 1 1 53 53 ASN N N 53 115.684 115.684 120.469 -4.785 17603 5892 1 7 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.948 -0.252 17603 5893 1 7 . 1 1 53 53 ASN C C 53 175.491 175.491 174.997 0.494 17603 5894 1 7 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.826 0.325 17603 5895 1 7 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.031 17603 5896 1 7 . 1 1 53 53 ASN H H 53 8.241 8.241 8.688 -0.447 17603 5897 1 7 . 1 1 54 54 THR N N 54 119.609 119.609 118.034 1.575 17603 5898 1 7 . 1 1 54 54 THR HA H 54 4.300 4.300 4.498 -0.198 17603 5899 1 7 . 1 1 54 54 THR C C 54 177.264 177.264 174.678 2.586 17603 5900 1 7 . 1 1 54 54 THR CA C 54 63.701 63.701 60.889 2.812 17603 5901 1 7 . 1 1 54 54 THR CB C 54 70.615 70.615 70.632 -0.017 17603 5902 1 7 . 1 1 54 54 THR H H 54 9.034 9.034 8.769 0.265 17603 5903 1 7 . 1 1 55 55 ASN N N 55 120.027 120.027 118.460 1.567 17603 5904 1 7 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.693 -0.309 17603 5905 1 7 . 1 1 55 55 ASN C C 55 175.774 175.774 175.677 0.097 17603 5906 1 7 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.036 2.389 17603 5907 1 7 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.722 -0.077 17603 5908 1 7 . 1 1 55 55 ASN H H 55 9.426 9.426 8.343 1.083 17603 5909 1 7 . 1 1 56 56 GLY N N 56 103.056 103.056 108.273 -5.217 17603 5910 1 7 . 1 1 56 56 GLY C C 56 172.072 172.072 172.904 -0.832 17603 5911 1 7 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.170 0.016 17603 5912 1 7 . 1 1 56 56 GLY H H 56 8.662 8.662 7.812 0.850 17603 5913 1 7 . 1 1 57 57 VAL N N 57 119.999 119.999 118.576 1.423 17603 5914 1 7 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.294 -0.165 17603 5915 1 7 . 1 1 57 57 VAL C C 57 174.971 174.971 174.881 0.090 17603 5916 1 7 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.693 1.328 17603 5917 1 7 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.645 0.526 17603 5918 1 7 . 1 1 57 57 VAL H H 57 7.444 7.444 7.424 0.020 17603 5919 1 7 . 1 1 58 58 ILE N N 58 116.746 116.746 121.353 -4.607 17603 5920 1 7 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.098 -0.252 17603 5921 1 7 . 1 1 58 58 ILE C C 58 175.376 175.376 175.220 0.156 17603 5922 1 7 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.919 0.720 17603 5923 1 7 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.932 -0.060 17603 5924 1 7 . 1 1 58 58 ILE H H 58 8.562 8.562 9.078 -0.516 17603 5925 1 7 . 1 1 59 59 THR N N 59 109.208 109.208 112.613 -3.405 17603 5926 1 7 . 1 1 59 59 THR HA H 59 4.632 4.632 4.664 -0.032 17603 5927 1 7 . 1 1 59 59 THR C C 59 176.431 176.431 174.817 1.614 17603 5928 1 7 . 1 1 59 59 THR CA C 59 59.899 59.899 60.188 -0.289 17603 5929 1 7 . 1 1 59 59 THR CB C 59 71.419 71.419 70.284 1.135 17603 5930 1 7 . 1 1 59 59 THR H H 59 8.682 8.682 9.064 -0.382 17603 5931 1 7 . 1 1 60 60 LYS N N 60 121.442 121.442 121.691 -0.249 17603 5932 1 7 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.961 -0.122 17603 5933 1 7 . 1 1 60 60 LYS C C 60 178.238 178.238 178.337 -0.099 17603 5934 1 7 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.463 0.300 17603 5935 1 7 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.270 -0.254 17603 5936 1 7 . 1 1 60 60 LYS H H 60 9.097 9.097 8.821 0.276 17603 5937 1 7 . 1 1 61 61 ASP N N 61 117.513 117.513 118.395 -0.882 17603 5938 1 7 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.412 -0.045 17603 5939 1 7 . 1 1 61 61 ASP C C 61 179.613 179.613 179.024 0.589 17603 5940 1 7 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.529 -0.173 17603 5941 1 7 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.180 0.341 17603 5942 1 7 . 1 1 61 61 ASP H H 61 8.234 8.234 8.538 -0.304 17603 5943 1 7 . 1 1 62 62 GLU N N 62 121.613 121.613 120.199 1.414 17603 5944 1 7 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.073 -0.184 17603 5945 1 7 . 1 1 62 62 GLU C C 62 178.900 178.900 178.833 0.067 17603 5946 1 7 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.117 -0.067 17603 5947 1 7 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.600 -0.117 17603 5948 1 7 . 1 1 62 62 GLU H H 62 7.725 7.725 7.895 -0.170 17603 5949 1 7 . 1 1 63 63 ALA N N 63 121.265 121.265 122.803 -1.538 17603 5950 1 7 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.968 -0.084 17603 5951 1 7 . 1 1 63 63 ALA C C 63 180.712 180.712 179.771 0.941 17603 5952 1 7 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.699 -0.597 17603 5953 1 7 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.406 0.085 17603 5954 1 7 . 1 1 63 63 ALA H H 63 8.500 8.500 8.404 0.096 17603 5955 1 7 . 1 1 64 64 GLU N N 64 120.135 120.135 118.222 1.913 17603 5956 1 7 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.191 -0.097 17603 5957 1 7 . 1 1 64 64 GLU C C 64 177.848 177.848 178.926 -1.078 17603 5958 1 7 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.422 0.335 17603 5959 1 7 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.634 -0.521 17603 5960 1 7 . 1 1 64 64 GLU H H 64 8.412 8.412 8.394 0.018 17603 5961 1 7 . 1 1 65 65 LYS N N 65 122.023 122.023 121.372 0.651 17603 5962 1 7 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.096 0.056 17603 5963 1 7 . 1 1 65 65 LYS C C 65 179.601 179.601 179.007 0.594 17603 5964 1 7 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.644 0.474 17603 5965 1 7 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.417 -0.097 17603 5966 1 7 . 1 1 65 65 LYS H H 65 7.853 7.853 8.011 -0.158 17603 5967 1 7 . 1 1 66 66 LEU N N 66 118.739 118.739 119.321 -0.582 17603 5968 1 7 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.920 0.013 17603 5969 1 7 . 1 1 66 66 LEU C C 66 177.920 177.920 179.095 -1.175 17603 5970 1 7 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.905 -0.403 17603 5971 1 7 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.617 0.763 17603 5972 1 7 . 1 1 66 66 LEU H H 66 7.822 7.822 8.108 -0.286 17603 5973 1 7 . 1 1 67 67 PHE N N 67 119.050 119.050 120.247 -1.197 17603 5974 1 7 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.284 0.911 17603 5975 1 7 . 1 1 67 67 PHE C C 67 177.421 177.421 177.555 -0.134 17603 5976 1 7 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.828 -0.895 17603 5977 1 7 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.942 1.033 17603 5978 1 7 . 1 1 67 67 PHE H H 67 8.075 8.075 8.470 -0.395 17603 5979 1 7 . 1 1 68 68 ASN N N 68 118.041 118.041 117.403 0.638 17603 5980 1 7 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.367 -0.118 17603 5981 1 7 . 1 1 68 68 ASN C C 68 178.777 178.777 177.572 1.205 17603 5982 1 7 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.540 0.518 17603 5983 1 7 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.599 -0.108 17603 5984 1 7 . 1 1 68 68 ASN H H 68 8.505 8.505 8.570 -0.065 17603 5985 1 7 . 1 1 69 69 GLN N N 69 118.812 118.812 119.175 -0.363 17603 5986 1 7 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.989 0.190 17603 5987 1 7 . 1 1 69 69 GLN C C 69 178.938 178.938 178.437 0.501 17603 5988 1 7 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.149 -0.260 17603 5989 1 7 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.695 -0.143 17603 5990 1 7 . 1 1 69 69 GLN H H 69 7.763 7.763 8.083 -0.320 17603 5991 1 7 . 1 1 70 70 ASP N N 70 123.281 123.281 120.932 2.349 17603 5992 1 7 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.449 0.050 17603 5993 1 7 . 1 1 70 70 ASP C C 70 180.101 180.101 178.999 1.102 17603 5994 1 7 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.368 -0.326 17603 5995 1 7 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.549 -0.109 17603 5996 1 7 . 1 1 70 70 ASP H H 70 8.757 8.757 8.455 0.302 17603 5997 1 7 . 1 1 71 71 VAL N N 71 125.532 125.532 120.747 4.785 17603 5998 1 7 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.494 0.102 17603 5999 1 7 . 1 1 71 71 VAL C C 71 177.160 177.160 177.567 -0.407 17603 6000 1 7 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.777 1.232 17603 6001 1 7 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.226 0.357 17603 6002 1 7 . 1 1 71 71 VAL H H 71 9.015 9.015 8.363 0.652 17603 6003 1 7 . 1 1 72 72 ASP N N 72 119.221 119.221 119.989 -0.768 17603 6004 1 7 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.248 0.114 17603 6005 1 7 . 1 1 72 72 ASP C C 72 178.561 178.561 178.191 0.370 17603 6006 1 7 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.305 0.018 17603 6007 1 7 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.084 0.999 17603 6008 1 7 . 1 1 72 72 ASP H H 72 7.599 7.599 8.146 -0.547 17603 6009 1 7 . 1 1 73 73 ALA N N 73 120.038 120.038 121.712 -1.674 17603 6010 1 7 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.035 -0.036 17603 6011 1 7 . 1 1 73 73 ALA C C 73 180.491 180.491 179.564 0.927 17603 6012 1 7 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.057 0.029 17603 6013 1 7 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.209 0.313 17603 6014 1 7 . 1 1 73 73 ALA H H 73 8.276 8.276 8.254 0.022 17603 6015 1 7 . 1 1 74 74 ALA N N 74 123.435 123.435 121.797 1.638 17603 6016 1 7 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.984 0.179 17603 6017 1 7 . 1 1 74 74 ALA C C 74 178.997 178.997 179.512 -0.515 17603 6018 1 7 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.893 -0.066 17603 6019 1 7 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.454 -0.024 17603 6020 1 7 . 1 1 74 74 ALA H H 74 7.925 7.925 7.716 0.209 17603 6021 1 7 . 1 1 75 75 VAL N N 75 118.091 118.091 119.451 -1.360 17603 6022 1 7 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.316 -0.085 17603 6023 1 7 . 1 1 75 75 VAL C C 75 178.108 178.108 177.676 0.432 17603 6024 1 7 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.932 0.110 17603 6025 1 7 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.424 0.414 17603 6026 1 7 . 1 1 75 75 VAL H H 75 8.141 8.141 7.894 0.247 17603 6027 1 7 . 1 1 76 76 ARG N N 76 117.779 117.779 119.924 -2.145 17603 6028 1 7 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.910 -0.109 17603 6029 1 7 . 1 1 76 76 ARG C C 76 178.816 178.816 178.674 0.142 17603 6030 1 7 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.858 0.054 17603 6031 1 7 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.931 0.295 17603 6032 1 7 . 1 1 76 76 ARG H H 76 8.358 8.358 8.638 -0.280 17603 6033 1 7 . 1 1 77 77 GLY N N 77 105.669 105.669 106.960 -1.291 17603 6034 1 7 . 1 1 77 77 GLY C C 77 176.097 176.097 176.052 0.045 17603 6035 1 7 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.808 -0.134 17603 6036 1 7 . 1 1 77 77 GLY H H 77 7.999 7.999 8.124 -0.125 17603 6037 1 7 . 1 1 78 78 ILE N N 78 122.001 122.001 122.059 -0.058 17603 6038 1 7 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.701 -0.058 17603 6039 1 7 . 1 1 78 78 ILE C C 78 177.194 177.194 178.272 -1.078 17603 6040 1 7 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.734 0.488 17603 6041 1 7 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.900 0.062 17603 6042 1 7 . 1 1 78 78 ILE H H 78 7.579 7.579 7.756 -0.177 17603 6043 1 7 . 1 1 79 79 LEU N N 79 115.459 115.459 117.797 -2.338 17603 6044 1 7 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.021 -0.261 17603 6045 1 7 . 1 1 79 79 LEU C C 79 178.673 178.673 178.112 0.561 17603 6046 1 7 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.950 0.267 17603 6047 1 7 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.625 -0.181 17603 6048 1 7 . 1 1 79 79 LEU H H 79 7.929 7.929 8.041 -0.112 17603 6049 1 7 . 1 1 80 80 ARG N N 80 114.830 114.830 114.606 0.224 17603 6050 1 7 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.311 -0.055 17603 6051 1 7 . 1 1 80 80 ARG C C 80 175.076 175.076 175.786 -0.710 17603 6052 1 7 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.143 -0.114 17603 6053 1 7 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.606 -0.231 17603 6054 1 7 . 1 1 80 80 ARG H H 80 7.680 7.680 7.644 0.036 17603 6055 1 7 . 1 1 81 81 ASN N N 81 120.935 120.935 118.727 2.208 17603 6056 1 7 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.785 -0.026 17603 6057 1 7 . 1 1 81 81 ASN C C 81 174.612 174.612 175.201 -0.589 17603 6058 1 7 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.282 0.232 17603 6059 1 7 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.288 -0.489 17603 6060 1 7 . 1 1 81 81 ASN H H 81 7.516 7.516 7.500 0.016 17603 6061 1 7 . 1 1 82 82 ALA N N 82 128.007 128.007 129.593 -1.586 17603 6062 1 7 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.156 -0.084 17603 6063 1 7 . 1 1 82 82 ALA C C 82 178.837 178.837 178.547 0.290 17603 6064 1 7 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.544 0.341 17603 6065 1 7 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.820 0.157 17603 6066 1 7 . 1 1 82 82 ALA H H 82 8.784 8.784 8.958 -0.174 17603 6067 1 7 . 1 1 83 83 LYS N N 83 114.232 114.232 117.367 -3.135 17603 6068 1 7 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.210 0.021 17603 6069 1 7 . 1 1 83 83 LYS C C 83 177.362 177.362 178.590 -1.228 17603 6070 1 7 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.514 -0.949 17603 6071 1 7 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.929 -0.126 17603 6072 1 7 . 1 1 83 83 LYS H H 83 8.075 8.075 8.186 -0.111 17603 6073 1 7 . 1 1 84 84 LEU N N 84 115.899 115.899 120.253 -4.354 17603 6074 1 7 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.065 0.114 17603 6075 1 7 . 1 1 84 84 LEU C C 84 178.322 178.322 178.228 0.094 17603 6076 1 7 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.136 -0.505 17603 6077 1 7 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.004 0.929 17603 6078 1 7 . 1 1 84 84 LEU H H 84 7.422 7.422 8.419 -0.997 17603 6079 1 7 . 1 1 85 85 LYS N N 85 120.723 120.723 120.611 0.112 17603 6080 1 7 . 1 1 85 85 LYS CA C 85 62.536 62.536 61.989 0.547 17603 6081 1 7 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.490 -0.527 17603 6082 1 7 . 1 1 85 85 LYS H H 85 8.407 8.407 8.376 0.031 17603 6083 1 7 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.319 0.142 17603 6084 1 7 . 1 1 86 86 PRO C C 86 180.075 180.075 179.198 0.877 17603 6085 1 7 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.811 0.034 17603 6086 1 7 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.122 -0.315 17603 6087 1 7 . 1 1 87 87 VAL N N 87 116.002 116.002 118.681 -2.679 17603 6088 1 7 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.757 0.033 17603 6089 1 7 . 1 1 87 87 VAL C C 87 178.477 178.477 178.264 0.213 17603 6090 1 7 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.283 -0.850 17603 6091 1 7 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.759 -0.262 17603 6092 1 7 . 1 1 87 87 VAL H H 87 6.903 6.903 7.260 -0.357 17603 6093 1 7 . 1 1 88 88 TYR N N 88 123.146 123.146 121.223 1.923 17603 6094 1 7 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.148 -0.211 17603 6095 1 7 . 1 1 88 88 TYR C C 88 177.346 177.346 178.207 -0.861 17603 6096 1 7 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.991 1.021 17603 6097 1 7 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.421 1.274 17603 6098 1 7 . 1 1 88 88 TYR H H 88 8.454 8.454 8.686 -0.232 17603 6099 1 7 . 1 1 89 89 ASP N N 89 117.059 117.059 117.613 -0.554 17603 6100 1 7 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.361 -0.053 17603 6101 1 7 . 1 1 89 89 ASP C C 89 178.136 178.136 178.436 -0.300 17603 6102 1 7 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.285 -0.660 17603 6103 1 7 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.152 0.434 17603 6104 1 7 . 1 1 89 89 ASP H H 89 9.057 9.057 8.922 0.135 17603 6105 1 7 . 1 1 90 90 SER N N 90 113.398 113.398 114.069 -0.671 17603 6106 1 7 . 1 1 90 90 SER HA H 90 4.435 4.435 4.340 0.095 17603 6107 1 7 . 1 1 90 90 SER C C 90 174.464 174.464 175.026 -0.562 17603 6108 1 7 . 1 1 90 90 SER CA C 90 59.549 59.549 59.553 -0.004 17603 6109 1 7 . 1 1 90 90 SER CB C 90 64.598 64.598 63.447 1.151 17603 6110 1 7 . 1 1 90 90 SER H H 90 7.385 7.385 7.643 -0.258 17603 6111 1 7 . 1 1 91 91 LEU N N 91 123.580 123.580 123.678 -0.098 17603 6112 1 7 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.515 -0.102 17603 6113 1 7 . 1 1 91 91 LEU C C 91 176.375 176.375 176.801 -0.426 17603 6114 1 7 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.006 1.064 17603 6115 1 7 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.156 -0.346 17603 6116 1 7 . 1 1 91 91 LEU H H 91 7.477 7.477 7.361 0.116 17603 6117 1 7 . 1 1 92 92 ASP N N 92 116.218 116.218 122.014 -5.796 17603 6118 1 7 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.481 0.085 17603 6119 1 7 . 1 1 92 92 ASP C C 92 175.360 175.360 176.720 -1.360 17603 6120 1 7 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.968 -1.381 17603 6121 1 7 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.150 0.690 17603 6122 1 7 . 1 1 92 92 ASP H H 92 7.440 7.440 8.458 -1.018 17603 6123 1 7 . 1 1 93 93 ALA N N 93 119.801 119.801 122.083 -2.282 17603 6124 1 7 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.045 -0.305 17603 6125 1 7 . 1 1 93 93 ALA C C 93 179.894 179.894 179.750 0.144 17603 6126 1 7 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.817 1.412 17603 6127 1 7 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.859 0.450 17603 6128 1 7 . 1 1 93 93 ALA H H 93 8.682 8.682 8.539 0.143 17603 6129 1 7 . 1 1 94 94 VAL N N 94 118.735 118.735 118.184 0.551 17603 6130 1 7 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.228 -0.200 17603 6131 1 7 . 1 1 94 94 VAL C C 94 177.116 177.116 177.847 -0.731 17603 6132 1 7 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.776 -0.058 17603 6133 1 7 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.134 -0.194 17603 6134 1 7 . 1 1 94 94 VAL H H 94 7.580 7.580 7.584 -0.004 17603 6135 1 7 . 1 1 95 95 ARG N N 95 119.108 119.108 118.646 0.462 17603 6136 1 7 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.638 -0.358 17603 6137 1 7 . 1 1 95 95 ARG C C 95 178.366 178.366 178.739 -0.373 17603 6138 1 7 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.401 1.012 17603 6139 1 7 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.998 0.425 17603 6140 1 7 . 1 1 95 95 ARG H H 95 7.729 7.729 8.090 -0.361 17603 6141 1 7 . 1 1 96 96 ARG N N 96 118.307 118.307 119.590 -1.283 17603 6142 1 7 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.997 -0.343 17603 6143 1 7 . 1 1 96 96 ARG C C 96 177.841 177.841 178.399 -0.558 17603 6144 1 7 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.404 1.254 17603 6145 1 7 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.699 0.812 17603 6146 1 7 . 1 1 96 96 ARG H H 96 8.638 8.638 8.400 0.238 17603 6147 1 7 . 1 1 97 97 ALA N N 97 120.196 120.196 121.283 -1.087 17603 6148 1 7 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.006 -0.019 17603 6149 1 7 . 1 1 97 97 ALA C C 97 178.768 178.768 178.948 -0.180 17603 6150 1 7 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.045 0.189 17603 6151 1 7 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.249 0.005 17603 6152 1 7 . 1 1 97 97 ALA H H 97 7.019 7.019 7.440 -0.421 17603 6153 1 7 . 1 1 98 98 ALA N N 98 119.143 119.143 121.022 -1.879 17603 6154 1 7 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.735 -0.163 17603 6155 1 7 . 1 1 98 98 ALA C C 98 177.328 177.328 179.009 -1.681 17603 6156 1 7 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.507 0.930 17603 6157 1 7 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.463 -1.570 17603 6158 1 7 . 1 1 98 98 ALA H H 98 7.097 7.097 7.177 -0.080 17603 6159 1 7 . 1 1 99 99 ALA N N 99 119.971 119.971 121.222 -1.251 17603 6160 1 7 . 1 1 99 99 ALA HA H 99 3.596 3.596 3.660 -0.064 17603 6161 1 7 . 1 1 99 99 ALA C C 99 178.026 178.026 179.506 -1.480 17603 6162 1 7 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.130 0.254 17603 6163 1 7 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.906 -0.489 17603 6164 1 7 . 1 1 99 99 ALA H H 99 7.665 7.665 7.657 0.008 17603 6165 1 7 . 1 1 100 100 ILE N N 100 116.372 116.372 117.767 -1.395 17603 6166 1 7 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.677 -0.345 17603 6167 1 7 . 1 1 100 100 ILE C C 100 177.103 177.103 177.452 -0.349 17603 6168 1 7 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.154 -0.496 17603 6169 1 7 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.815 -0.804 17603 6170 1 7 . 1 1 100 100 ILE H H 100 8.110 8.110 8.272 -0.162 17603 6171 1 7 . 1 1 101 101 ASN N N 101 116.550 116.550 117.114 -0.564 17603 6172 1 7 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.599 -0.712 17603 6173 1 7 . 1 1 101 101 ASN C C 101 177.350 177.350 178.352 -1.002 17603 6174 1 7 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.610 1.486 17603 6175 1 7 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.712 0.210 17603 6176 1 7 . 1 1 101 101 ASN H H 101 8.098 8.098 7.645 0.453 17603 6177 1 7 . 1 1 102 102 MET N N 102 114.177 114.177 119.436 -5.259 17603 6178 1 7 . 1 1 102 102 MET HA H 102 3.746 3.746 4.035 -0.289 17603 6179 1 7 . 1 1 102 102 MET C C 102 177.507 177.507 177.918 -0.411 17603 6180 1 7 . 1 1 102 102 MET CA C 102 60.473 60.473 57.542 2.931 17603 6181 1 7 . 1 1 102 102 MET CB C 102 33.218 33.218 31.688 1.530 17603 6182 1 7 . 1 1 102 102 MET H H 102 7.647 7.647 8.235 -0.588 17603 6183 1 7 . 1 1 103 103 VAL N N 103 107.836 107.836 115.677 -7.841 17603 6184 1 7 . 1 1 103 103 VAL HA H 103 4.198 4.198 3.914 0.284 17603 6185 1 7 . 1 1 103 103 VAL C C 103 175.893 175.893 176.047 -0.154 17603 6186 1 7 . 1 1 103 103 VAL CA C 103 60.939 60.939 62.791 -1.852 17603 6187 1 7 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.304 -1.206 17603 6188 1 7 . 1 1 103 103 VAL H H 103 7.332 7.332 7.558 -0.226 17603 6189 1 7 . 1 1 104 104 PHE N N 104 125.985 125.985 122.615 3.370 17603 6190 1 7 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.387 -0.280 17603 6191 1 7 . 1 1 104 104 PHE C C 104 176.884 176.884 174.250 2.634 17603 6192 1 7 . 1 1 104 104 PHE CA C 104 60.915 60.915 57.707 3.208 17603 6193 1 7 . 1 1 104 104 PHE CB C 104 39.768 39.768 37.503 2.265 17603 6194 1 7 . 1 1 104 104 PHE H H 104 7.978 7.978 7.405 0.573 17603 6195 1 7 . 1 1 105 105 GLN N N 105 120.302 120.302 120.647 -0.345 17603 6196 1 7 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.829 -0.319 17603 6197 1 7 . 1 1 105 105 GLN C C 105 174.976 174.976 175.319 -0.343 17603 6198 1 7 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.494 1.236 17603 6199 1 7 . 1 1 105 105 GLN CB C 105 27.304 27.304 26.483 0.821 17603 6200 1 7 . 1 1 105 105 GLN H H 105 8.448 8.448 8.665 -0.217 17603 6201 1 7 . 1 1 106 106 MET N N 106 117.189 117.189 116.783 0.406 17603 6202 1 7 . 1 1 106 106 MET HA H 106 4.184 4.184 4.413 -0.229 17603 6203 1 7 . 1 1 106 106 MET C C 106 176.961 176.961 176.968 -0.007 17603 6204 1 7 . 1 1 106 106 MET CA C 106 54.873 54.873 54.868 0.005 17603 6205 1 7 . 1 1 106 106 MET CB C 106 30.057 30.057 32.743 -2.686 17603 6206 1 7 . 1 1 106 106 MET H H 106 8.987 8.987 8.274 0.713 17603 6207 1 7 . 1 1 107 107 GLY N N 107 107.787 107.787 106.912 0.875 17603 6208 1 7 . 1 1 107 107 GLY C C 107 174.999 174.999 174.451 0.548 17603 6209 1 7 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.456 1.763 17603 6210 1 7 . 1 1 107 107 GLY H H 107 7.777 7.777 7.430 0.347 17603 6211 1 7 . 1 1 108 108 GLU N N 108 123.604 123.604 120.605 2.999 17603 6212 1 7 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.084 -0.100 17603 6213 1 7 . 1 1 108 108 GLU C C 108 179.574 179.574 178.386 1.188 17603 6214 1 7 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.801 0.143 17603 6215 1 7 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.790 0.149 17603 6216 1 7 . 1 1 108 108 GLU H H 108 8.779 8.779 8.961 -0.182 17603 6217 1 7 . 1 1 109 109 THR N N 109 111.822 111.822 111.287 0.535 17603 6218 1 7 . 1 1 109 109 THR HA H 109 4.176 4.176 4.268 -0.092 17603 6219 1 7 . 1 1 109 109 THR C C 109 178.459 178.459 176.701 1.758 17603 6220 1 7 . 1 1 109 109 THR CA C 109 65.535 65.535 65.691 -0.156 17603 6221 1 7 . 1 1 109 109 THR CB C 109 67.945 67.945 68.204 -0.258 17603 6222 1 7 . 1 1 109 109 THR H H 109 8.576 8.576 8.401 0.175 17603 6223 1 7 . 1 1 110 110 GLY N N 110 115.113 115.113 110.501 4.612 17603 6224 1 7 . 1 1 110 110 GLY C C 110 175.653 175.653 175.562 0.091 17603 6225 1 7 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.231 0.986 17603 6226 1 7 . 1 1 110 110 GLY H H 110 8.521 8.521 8.060 0.461 17603 6227 1 7 . 1 1 111 111 VAL N N 111 120.852 120.852 123.054 -2.202 17603 6228 1 7 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.632 -0.111 17603 6229 1 7 . 1 1 111 111 VAL C C 111 179.689 179.689 177.972 1.717 17603 6230 1 7 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.418 0.636 17603 6231 1 7 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.718 0.114 17603 6232 1 7 . 1 1 111 111 VAL H H 111 8.048 8.048 7.833 0.215 17603 6233 1 7 . 1 1 112 112 ALA N N 112 124.525 124.525 122.146 2.379 17603 6234 1 7 . 1 1 112 112 ALA HA H 112 4.142 4.142 3.960 0.182 17603 6235 1 7 . 1 1 112 112 ALA C C 112 179.412 179.412 178.991 0.421 17603 6236 1 7 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.266 0.157 17603 6237 1 7 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.136 0.122 17603 6238 1 7 . 1 1 112 112 ALA H H 112 8.255 8.255 8.095 0.160 17603 6239 1 7 . 1 1 113 113 ALA N N 113 120.490 120.490 122.140 -1.650 17603 6240 1 7 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.175 0.007 17603 6241 1 7 . 1 1 113 113 ALA C C 113 179.965 179.965 179.452 0.513 17603 6242 1 7 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.708 0.262 17603 6243 1 7 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.511 -0.448 17603 6244 1 7 . 1 1 113 113 ALA H H 113 7.861 7.861 8.028 -0.167 17603 6245 1 7 . 1 1 114 114 PHE N N 114 120.157 120.157 119.412 0.745 17603 6246 1 7 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.294 -0.237 17603 6247 1 7 . 1 1 114 114 PHE C C 114 177.765 177.765 178.397 -0.632 17603 6248 1 7 . 1 1 114 114 PHE CA C 114 59.933 59.933 59.317 0.616 17603 6249 1 7 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.483 0.641 17603 6250 1 7 . 1 1 114 114 PHE H H 114 8.126 8.126 8.354 -0.228 17603 6251 1 7 . 1 1 115 115 THR N N 115 114.478 114.478 115.621 -1.143 17603 6252 1 7 . 1 1 115 115 THR HA H 115 3.470 3.470 3.717 -0.247 17603 6253 1 7 . 1 1 115 115 THR C C 115 176.924 176.924 177.028 -0.104 17603 6254 1 7 . 1 1 115 115 THR CA C 115 67.000 67.000 67.070 -0.070 17603 6255 1 7 . 1 1 115 115 THR CB C 115 68.320 68.320 68.522 -0.202 17603 6256 1 7 . 1 1 115 115 THR H H 115 8.504 8.504 8.271 0.233 17603 6257 1 7 . 1 1 116 116 ASN N N 116 119.632 119.632 118.956 0.676 17603 6258 1 7 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.490 0.010 17603 6259 1 7 . 1 1 116 116 ASN C C 116 176.009 176.009 176.378 -0.369 17603 6260 1 7 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.819 1.424 17603 6261 1 7 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.184 0.416 17603 6262 1 7 . 1 1 116 116 ASN H H 116 8.337 8.337 8.204 0.133 17603 6263 1 7 . 1 1 117 117 SER N N 117 112.765 112.765 112.322 0.443 17603 6264 1 7 . 1 1 117 117 SER HA H 117 4.590 4.590 4.560 0.030 17603 6265 1 7 . 1 1 117 117 SER C C 117 174.808 174.808 175.513 -0.705 17603 6266 1 7 . 1 1 117 117 SER CA C 117 59.470 59.470 58.790 0.680 17603 6267 1 7 . 1 1 117 117 SER CB C 117 64.474 64.474 64.107 0.367 17603 6268 1 7 . 1 1 117 117 SER H H 117 7.424 7.424 7.609 -0.185 17603 6269 1 7 . 1 1 118 118 LEU N N 118 122.210 122.210 123.539 -1.329 17603 6270 1 7 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.098 0.552 17603 6271 1 7 . 1 1 118 118 LEU H H 118 7.195 7.195 7.414 -0.219 17603 6272 1 7 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.140 0.142 17603 6273 1 7 . 1 1 119 119 PRO C C 119 179.207 179.207 178.671 0.536 17603 6274 1 7 . 1 1 119 119 PRO CA C 119 66.239 66.239 66.133 0.106 17603 6275 1 7 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.396 -0.426 17603 6276 1 7 . 1 1 120 120 MET N N 120 112.465 112.465 115.178 -2.713 17603 6277 1 7 . 1 1 120 120 MET HA H 120 4.005 4.005 4.321 -0.316 17603 6278 1 7 . 1 1 120 120 MET C C 120 178.137 178.137 178.350 -0.213 17603 6279 1 7 . 1 1 120 120 MET CA C 120 58.747 58.747 56.645 2.102 17603 6280 1 7 . 1 1 120 120 MET CB C 120 32.510 32.510 31.812 0.698 17603 6281 1 7 . 1 1 120 120 MET H H 120 7.126 7.126 7.392 -0.266 17603 6282 1 7 . 1 1 121 121 LEU N N 121 118.534 118.534 121.587 -3.053 17603 6283 1 7 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.903 -0.062 17603 6284 1 7 . 1 1 121 121 LEU C C 121 180.140 180.140 179.692 0.448 17603 6285 1 7 . 1 1 121 121 LEU CA C 121 57.379 57.379 58.376 -0.997 17603 6286 1 7 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.263 0.874 17603 6287 1 7 . 1 1 121 121 LEU H H 121 7.695 7.695 8.538 -0.843 17603 6288 1 7 . 1 1 122 122 GLN N N 122 119.537 119.537 118.823 0.714 17603 6289 1 7 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.031 -0.169 17603 6290 1 7 . 1 1 122 122 GLN C C 122 176.722 176.722 177.745 -1.023 17603 6291 1 7 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.214 0.626 17603 6292 1 7 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.741 0.049 17603 6293 1 7 . 1 1 122 122 GLN H H 122 8.845 8.845 8.031 0.814 17603 6294 1 7 . 1 1 123 123 GLN N N 123 113.333 113.333 115.706 -2.373 17603 6295 1 7 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.209 -0.055 17603 6296 1 7 . 1 1 123 123 GLN C C 123 174.075 174.075 175.005 -0.930 17603 6297 1 7 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.392 -0.383 17603 6298 1 7 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.889 0.844 17603 6299 1 7 . 1 1 123 123 GLN H H 123 6.862 6.862 7.383 -0.521 17603 6300 1 7 . 1 1 124 124 LYS N N 124 114.431 114.431 113.868 0.563 17603 6301 1 7 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.295 2.160 17603 6302 1 7 . 1 1 124 124 LYS C C 124 174.727 174.727 175.174 -0.447 17603 6303 1 7 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.284 0.165 17603 6304 1 7 . 1 1 124 124 LYS CB C 124 28.383 28.383 29.434 -1.051 17603 6305 1 7 . 1 1 124 124 LYS H H 124 7.238 7.238 7.369 -0.131 17603 6306 1 7 . 1 1 125 125 ARG N N 125 119.411 119.411 118.778 0.633 17603 6307 1 7 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.262 -0.002 17603 6308 1 7 . 1 1 125 125 ARG C C 125 177.251 177.251 176.174 1.077 17603 6309 1 7 . 1 1 125 125 ARG CA C 125 53.573 53.573 53.886 -0.313 17603 6310 1 7 . 1 1 125 125 ARG CB C 125 28.211 28.211 27.670 0.541 17603 6311 1 7 . 1 1 125 125 ARG H H 125 7.651 7.651 7.935 -0.284 17603 6312 1 7 . 1 1 126 126 TRP N N 126 119.823 119.823 123.355 -3.532 17603 6313 1 7 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.262 0.060 17603 6314 1 7 . 1 1 126 126 TRP C C 126 178.830 178.830 177.663 1.167 17603 6315 1 7 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.328 -1.504 17603 6316 1 7 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.272 2.189 17603 6317 1 7 . 1 1 126 126 TRP H H 126 6.865 6.865 7.410 -0.545 17603 6318 1 7 . 1 1 127 127 ASP N N 127 116.894 116.894 118.417 -1.523 17603 6319 1 7 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.402 -0.002 17603 6320 1 7 . 1 1 127 127 ASP C C 127 178.748 178.748 178.448 0.300 17603 6321 1 7 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.798 -0.113 17603 6322 1 7 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.821 0.226 17603 6323 1 7 . 1 1 127 127 ASP H H 127 8.598 8.598 8.778 -0.180 17603 6324 1 7 . 1 1 128 128 GLU N N 128 120.788 120.788 120.246 0.542 17603 6325 1 7 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.003 -0.029 17603 6326 1 7 . 1 1 128 128 GLU C C 128 180.057 180.057 178.688 1.369 17603 6327 1 7 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.279 0.247 17603 6328 1 7 . 1 1 128 128 GLU CB C 128 29.871 29.871 29.395 0.476 17603 6329 1 7 . 1 1 128 128 GLU H H 128 8.191 8.191 8.463 -0.272 17603 6330 1 7 . 1 1 129 129 ALA N N 129 122.103 122.103 122.311 -0.208 17603 6331 1 7 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.942 0.028 17603 6332 1 7 . 1 1 129 129 ALA C C 129 178.495 178.495 179.322 -0.827 17603 6333 1 7 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.294 -0.251 17603 6334 1 7 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.310 -0.539 17603 6335 1 7 . 1 1 129 129 ALA H H 129 8.587 8.587 8.475 0.112 17603 6336 1 7 . 1 1 130 130 ALA N N 130 119.336 119.336 121.280 -1.944 17603 6337 1 7 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.951 0.092 17603 6338 1 7 . 1 1 130 130 ALA C C 130 179.804 179.804 179.619 0.185 17603 6339 1 7 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.192 0.626 17603 6340 1 7 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.472 0.424 17603 6341 1 7 . 1 1 130 130 ALA H H 130 8.235 8.235 8.101 0.134 17603 6342 1 7 . 1 1 131 131 VAL N N 131 118.685 118.685 118.933 -0.248 17603 6343 1 7 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.397 0.182 17603 6344 1 7 . 1 1 131 131 VAL C C 131 178.078 178.078 178.219 -0.141 17603 6345 1 7 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.857 -0.538 17603 6346 1 7 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.433 0.702 17603 6347 1 7 . 1 1 131 131 VAL H H 131 7.697 7.697 8.248 -0.551 17603 6348 1 7 . 1 1 132 132 ASN N N 132 118.648 118.648 118.468 0.180 17603 6349 1 7 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.434 -0.173 17603 6350 1 7 . 1 1 132 132 ASN C C 132 178.965 178.965 178.136 0.829 17603 6351 1 7 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.221 0.951 17603 6352 1 7 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.082 1.716 17603 6353 1 7 . 1 1 132 132 ASN H H 132 7.569 7.569 8.155 -0.586 17603 6354 1 7 . 1 1 133 133 LEU N N 133 120.750 120.750 121.244 -0.494 17603 6355 1 7 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.383 -0.157 17603 6356 1 7 . 1 1 133 133 LEU C C 133 179.956 179.956 179.348 0.608 17603 6357 1 7 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.333 0.744 17603 6358 1 7 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.120 1.893 17603 6359 1 7 . 1 1 133 133 LEU H H 133 8.903 8.903 8.357 0.546 17603 6360 1 7 . 1 1 134 134 ALA N N 134 121.339 121.339 120.898 0.441 17603 6361 1 7 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.588 0.064 17603 6362 1 7 . 1 1 134 134 ALA C C 134 176.582 176.582 178.191 -1.609 17603 6363 1 7 . 1 1 134 134 ALA CA C 134 53.195 53.195 54.267 -1.072 17603 6364 1 7 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.289 -0.753 17603 6365 1 7 . 1 1 134 134 ALA H H 134 7.681 7.681 8.050 -0.369 17603 6366 1 7 . 1 1 135 135 LYS N N 135 116.197 116.197 114.808 1.389 17603 6367 1 7 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.391 -0.021 17603 6368 1 7 . 1 1 135 135 LYS C C 135 176.573 176.573 176.424 0.149 17603 6369 1 7 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.283 0.281 17603 6370 1 7 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.188 0.508 17603 6371 1 7 . 1 1 135 135 LYS H H 135 7.168 7.168 7.731 -0.563 17603 6372 1 7 . 1 1 136 136 SER N N 136 115.115 115.115 116.077 -0.962 17603 6373 1 7 . 1 1 136 136 SER HA H 136 4.503 4.503 4.638 -0.135 17603 6374 1 7 . 1 1 136 136 SER C C 136 174.968 174.968 175.703 -0.735 17603 6375 1 7 . 1 1 136 136 SER CA C 136 58.565 58.565 57.754 0.811 17603 6376 1 7 . 1 1 136 136 SER CB C 136 66.690 66.690 64.805 1.885 17603 6377 1 7 . 1 1 136 136 SER H H 136 7.546 7.546 7.823 -0.277 17603 6378 1 7 . 1 1 137 137 ARG N N 137 122.827 122.827 123.398 -0.571 17603 6379 1 7 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.157 0.040 17603 6380 1 7 . 1 1 137 137 ARG C C 137 178.570 178.570 177.921 0.649 17603 6381 1 7 . 1 1 137 137 ARG CA C 137 59.338 59.338 60.290 -0.952 17603 6382 1 7 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.249 -0.457 17603 6383 1 7 . 1 1 137 137 ARG H H 137 8.786 8.786 9.019 -0.233 17603 6384 1 7 . 1 1 138 138 TRP N N 138 119.297 119.297 122.170 -2.873 17603 6385 1 7 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.384 -0.306 17603 6386 1 7 . 1 1 138 138 TRP C C 138 176.101 176.101 177.804 -1.703 17603 6387 1 7 . 1 1 138 138 TRP CA C 138 61.807 61.807 60.357 1.450 17603 6388 1 7 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.210 -0.435 17603 6389 1 7 . 1 1 138 138 TRP H H 138 8.256 8.256 8.559 -0.303 17603 6390 1 7 . 1 1 139 139 TYR N N 139 117.950 117.950 118.492 -0.542 17603 6391 1 7 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.983 -0.867 17603 6392 1 7 . 1 1 139 139 TYR C C 139 175.615 175.615 176.704 -1.089 17603 6393 1 7 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.154 -0.353 17603 6394 1 7 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.501 0.315 17603 6395 1 7 . 1 1 139 139 TYR H H 139 7.786 7.786 7.831 -0.045 17603 6396 1 7 . 1 1 140 140 ASN N N 140 111.511 111.511 116.999 -5.488 17603 6397 1 7 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.539 -0.288 17603 6398 1 7 . 1 1 140 140 ASN C C 140 176.804 176.804 176.631 0.173 17603 6399 1 7 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.137 0.222 17603 6400 1 7 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.433 1.157 17603 6401 1 7 . 1 1 140 140 ASN H H 140 7.115 7.115 7.847 -0.732 17603 6402 1 7 . 1 1 141 141 GLN N N 141 117.466 117.466 117.386 0.080 17603 6403 1 7 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.316 -0.203 17603 6404 1 7 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.143 0.586 17603 6405 1 7 . 1 1 141 141 GLN CB C 141 29.647 29.647 30.011 -0.364 17603 6406 1 7 . 1 1 141 141 GLN H H 141 7.855 7.855 8.000 -0.145 17603 6407 1 7 . 1 1 142 142 THR N N 142 110.630 110.630 110.458 0.172 17603 6408 1 7 . 1 1 142 142 THR CA C 142 56.326 56.326 59.197 -2.871 17603 6409 1 7 . 1 1 142 142 THR CB C 142 69.490 69.490 69.480 0.010 17603 6410 1 7 . 1 1 142 142 THR H H 142 6.964 6.964 7.787 -0.823 17603 6411 1 7 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.451 0.210 17603 6412 1 7 . 1 1 143 143 PRO C C 143 178.494 178.494 177.546 0.948 17603 6413 1 7 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.600 1.012 17603 6414 1 7 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.273 0.599 17603 6415 1 7 . 1 1 144 144 ASN N N 144 116.334 116.334 117.825 -1.491 17603 6416 1 7 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.302 0.013 17603 6417 1 7 . 1 1 144 144 ASN C C 144 177.341 177.341 177.018 0.323 17603 6418 1 7 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.294 0.374 17603 6419 1 7 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.475 0.191 17603 6420 1 7 . 1 1 144 144 ASN H H 144 7.971 7.971 8.383 -0.412 17603 6421 1 7 . 1 1 145 145 ARG N N 145 121.642 121.642 121.269 0.373 17603 6422 1 7 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.101 -0.171 17603 6423 1 7 . 1 1 145 145 ARG C C 145 177.087 177.087 177.708 -0.621 17603 6424 1 7 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.183 -1.048 17603 6425 1 7 . 1 1 145 145 ARG CB C 145 31.455 31.455 29.981 1.474 17603 6426 1 7 . 1 1 145 145 ARG H H 145 7.750 7.750 8.093 -0.343 17603 6427 1 7 . 1 1 146 146 ALA N N 146 119.316 119.316 121.580 -2.264 17603 6428 1 7 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.391 -0.533 17603 6429 1 7 . 1 1 146 146 ALA C C 146 179.664 179.664 178.737 0.927 17603 6430 1 7 . 1 1 146 146 ALA CA C 146 55.541 55.541 54.879 0.662 17603 6431 1 7 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.537 1.478 17603 6432 1 7 . 1 1 146 146 ALA H H 146 8.429 8.429 8.171 0.258 17603 6433 1 7 . 1 1 147 147 LYS N N 147 116.714 116.714 119.647 -2.933 17603 6434 1 7 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.120 -0.079 17603 6435 1 7 . 1 1 147 147 LYS C C 147 179.974 179.974 178.900 1.074 17603 6436 1 7 . 1 1 147 147 LYS CA C 147 60.729 60.729 60.010 0.719 17603 6437 1 7 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.377 0.411 17603 6438 1 7 . 1 1 147 147 LYS H H 147 8.253 8.253 8.205 0.048 17603 6439 1 7 . 1 1 148 148 ARG N N 148 119.234 119.234 118.573 0.661 17603 6440 1 7 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.941 -0.108 17603 6441 1 7 . 1 1 148 148 ARG C C 148 180.146 180.146 178.936 1.210 17603 6442 1 7 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.330 1.463 17603 6443 1 7 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.041 0.197 17603 6444 1 7 . 1 1 148 148 ARG H H 148 7.279 7.279 7.652 -0.373 17603 6445 1 7 . 1 1 149 149 VAL N N 149 125.307 125.307 120.403 4.904 17603 6446 1 7 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.756 -0.299 17603 6447 1 7 . 1 1 149 149 VAL C C 149 178.460 178.460 178.242 0.218 17603 6448 1 7 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.463 1.705 17603 6449 1 7 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.952 0.503 17603 6450 1 7 . 1 1 149 149 VAL H H 149 8.816 8.816 7.485 1.331 17603 6451 1 7 . 1 1 150 150 ILE N N 150 121.097 121.097 120.899 0.198 17603 6452 1 7 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.860 0.026 17603 6453 1 7 . 1 1 150 150 ILE C C 150 178.378 178.378 178.129 0.249 17603 6454 1 7 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.813 1.555 17603 6455 1 7 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.828 -0.129 17603 6456 1 7 . 1 1 150 150 ILE H H 150 9.547 9.547 8.852 0.695 17603 6457 1 7 . 1 1 151 151 THR N N 151 117.959 117.959 116.782 1.177 17603 6458 1 7 . 1 1 151 151 THR HA H 151 3.933 3.933 4.023 -0.090 17603 6459 1 7 . 1 1 151 151 THR C C 151 176.283 176.283 176.552 -0.269 17603 6460 1 7 . 1 1 151 151 THR CA C 151 67.403 67.403 67.636 -0.233 17603 6461 1 7 . 1 1 151 151 THR CB C 151 68.172 68.172 68.347 -0.175 17603 6462 1 7 . 1 1 151 151 THR H H 151 8.444 8.444 8.516 -0.072 17603 6463 1 7 . 1 1 152 152 THR N N 152 122.010 122.010 119.757 2.253 17603 6464 1 7 . 1 1 152 152 THR HA H 152 3.944 3.944 4.185 -0.241 17603 6465 1 7 . 1 1 152 152 THR C C 152 176.671 176.671 176.283 0.388 17603 6466 1 7 . 1 1 152 152 THR CA C 152 67.498 67.498 66.855 0.643 17603 6467 1 7 . 1 1 152 152 THR H H 152 7.964 7.964 7.761 0.203 17603 6468 1 7 . 1 1 153 153 PHE N N 153 120.387 120.387 121.374 -0.987 17603 6469 1 7 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.115 -0.162 17603 6470 1 7 . 1 1 153 153 PHE C C 153 178.321 178.321 177.407 0.914 17603 6471 1 7 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.165 1.544 17603 6472 1 7 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.391 0.949 17603 6473 1 7 . 1 1 153 153 PHE H H 153 8.375 8.375 8.233 0.142 17603 6474 1 7 . 1 1 154 154 ARG N N 154 118.015 118.015 119.542 -1.527 17603 6475 1 7 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.179 -0.109 17603 6476 1 7 . 1 1 154 154 ARG C C 154 178.076 178.076 178.500 -0.424 17603 6477 1 7 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.935 0.427 17603 6478 1 7 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.576 0.970 17603 6479 1 7 . 1 1 154 154 ARG H H 154 8.795 8.795 8.413 0.382 17603 6480 1 7 . 1 1 155 155 THR N N 155 104.622 104.622 108.817 -4.195 17603 6481 1 7 . 1 1 155 155 THR HA H 155 4.252 4.252 4.296 -0.044 17603 6482 1 7 . 1 1 155 155 THR C C 155 176.765 176.765 175.749 1.016 17603 6483 1 7 . 1 1 155 155 THR CA C 155 62.470 62.470 62.118 0.352 17603 6484 1 7 . 1 1 155 155 THR CB C 155 71.330 71.330 69.922 1.407 17603 6485 1 7 . 1 1 155 155 THR H H 155 8.169 8.169 7.906 0.263 17603 6486 1 7 . 1 1 156 156 GLY N N 156 111.689 111.689 112.329 -0.640 17603 6487 1 7 . 1 1 156 156 GLY C C 156 172.933 172.933 174.177 -1.244 17603 6488 1 7 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.925 0.242 17603 6489 1 7 . 1 1 156 156 GLY H H 156 8.491 8.491 8.020 0.471 17603 6490 1 7 . 1 1 157 157 THR N N 157 108.301 108.301 110.526 -2.225 17603 6491 1 7 . 1 1 157 157 THR HA H 157 4.637 4.637 4.372 0.265 17603 6492 1 7 . 1 1 157 157 THR C C 157 174.086 174.086 173.021 1.065 17603 6493 1 7 . 1 1 157 157 THR CA C 157 58.748 58.748 59.397 -0.649 17603 6494 1 7 . 1 1 157 157 THR CB C 157 72.418 72.418 71.510 0.908 17603 6495 1 7 . 1 1 157 157 THR H H 157 7.603 7.603 7.255 0.348 17603 6496 1 7 . 1 1 158 158 TRP N N 158 118.038 118.038 119.660 -1.622 17603 6497 1 7 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.928 0.136 17603 6498 1 7 . 1 1 158 158 TRP C C 158 177.922 177.922 176.846 1.076 17603 6499 1 7 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.443 -0.097 17603 6500 1 7 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.350 0.429 17603 6501 1 7 . 1 1 158 158 TRP H H 158 8.602 8.602 8.600 0.002 17603 6502 1 7 . 1 1 159 159 ASP N N 159 119.620 119.620 122.120 -2.500 17603 6503 1 7 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.456 -0.263 17603 6504 1 7 . 1 1 159 159 ASP C C 159 177.407 177.407 178.075 -0.668 17603 6505 1 7 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.604 1.175 17603 6506 1 7 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.252 0.422 17603 6507 1 7 . 1 1 159 159 ASP H H 159 7.909 7.909 7.812 0.097 17603 6508 1 7 . 1 1 160 160 ALA N N 160 119.985 119.985 121.161 -1.176 17603 6509 1 7 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.175 0.026 17603 6510 1 7 . 1 1 160 160 ALA C C 160 177.362 177.362 177.927 -0.565 17603 6511 1 7 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.652 0.077 17603 6512 1 7 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.526 0.092 17603 6513 1 7 . 1 1 160 160 ALA H H 160 9.187 9.187 8.336 0.851 17603 6514 1 7 . 1 1 161 161 TYR N N 161 113.735 113.735 113.361 0.374 17603 6515 1 7 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.635 -0.388 17603 6516 1 7 . 1 1 161 161 TYR C C 161 175.125 175.125 177.424 -2.299 17603 6517 1 7 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.246 0.663 17603 6518 1 7 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.429 0.427 17603 6519 1 7 . 1 1 161 161 TYR H H 161 8.061 8.061 8.010 0.051 17603 6520 1 7 . 1 1 162 162 LYS N N 162 119.491 119.491 120.345 -0.854 17603 6521 1 7 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.229 -0.080 17603 6522 1 7 . 1 1 162 162 LYS C C 162 176.030 176.030 177.873 -1.843 17603 6523 1 7 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.404 -0.946 17603 6524 1 7 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.206 -3.078 17603 6525 1 7 . 1 1 162 162 LYS H H 162 7.262 7.262 7.666 -0.404 17603 6526 1 7 . 1 1 163 163 ASN N N 163 117.131 117.131 115.961 1.170 17603 6527 1 7 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.679 -0.089 17603 6528 1 7 . 1 1 163 163 ASN C C 163 173.691 173.691 175.320 -1.629 17603 6529 1 7 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.503 0.381 17603 6530 1 7 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.058 -0.916 17603 6531 1 7 . 1 1 163 163 ASN H H 163 8.457 8.457 8.403 0.054 17603 6532 1 8 . 1 1 2 2 ASN N N 2 115.826 115.826 119.803 -3.977 17603 6533 1 8 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.583 -0.116 17603 6534 1 8 . 1 1 2 2 ASN C C 2 174.640 174.640 174.602 0.038 17603 6535 1 8 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.061 -0.147 17603 6536 1 8 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.061 0.183 17603 6537 1 8 . 1 1 2 2 ASN H H 2 6.923 6.923 7.740 -0.817 17603 6538 1 8 . 1 1 3 3 ILE N N 3 116.880 116.880 119.959 -3.079 17603 6539 1 8 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.891 0.186 17603 6540 1 8 . 1 1 3 3 ILE C C 3 174.099 174.099 176.444 -2.345 17603 6541 1 8 . 1 1 3 3 ILE CA C 3 61.631 61.631 63.014 -1.383 17603 6542 1 8 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.945 0.247 17603 6543 1 8 . 1 1 3 3 ILE H H 3 8.815 8.815 8.504 0.311 17603 6544 1 8 . 1 1 4 4 PHE N N 4 121.992 121.992 118.803 3.189 17603 6545 1 8 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.195 -0.166 17603 6546 1 8 . 1 1 4 4 PHE C C 4 177.093 177.093 178.080 -0.987 17603 6547 1 8 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.287 -1.279 17603 6548 1 8 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.389 -0.229 17603 6549 1 8 . 1 1 4 4 PHE H H 4 7.336 7.336 8.043 -0.707 17603 6550 1 8 . 1 1 5 5 GLU N N 5 118.284 118.284 119.567 -1.283 17603 6551 1 8 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.910 -0.129 17603 6552 1 8 . 1 1 5 5 GLU C C 5 178.340 178.340 179.050 -0.710 17603 6553 1 8 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.171 -0.522 17603 6554 1 8 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.408 0.948 17603 6555 1 8 . 1 1 5 5 GLU H H 5 7.892 7.892 8.602 -0.710 17603 6556 1 8 . 1 1 6 6 MET N N 6 118.546 118.546 120.913 -2.367 17603 6557 1 8 . 1 1 6 6 MET HA H 6 3.314 3.314 3.793 -0.479 17603 6558 1 8 . 1 1 6 6 MET C C 6 177.078 177.078 178.054 -0.976 17603 6559 1 8 . 1 1 6 6 MET CA C 6 58.988 58.988 59.260 -0.272 17603 6560 1 8 . 1 1 6 6 MET CB C 6 34.498 34.498 32.606 1.891 17603 6561 1 8 . 1 1 6 6 MET H H 6 7.946 7.946 8.393 -0.447 17603 6562 1 8 . 1 1 7 7 LEU N N 7 116.516 116.516 118.260 -1.744 17603 6563 1 8 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.959 0.009 17603 6564 1 8 . 1 1 7 7 LEU C C 7 178.579 178.579 178.772 -0.193 17603 6565 1 8 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.439 0.166 17603 6566 1 8 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.309 0.585 17603 6567 1 8 . 1 1 7 7 LEU H H 7 7.969 7.969 8.230 -0.261 17603 6568 1 8 . 1 1 8 8 ARG N N 8 120.793 120.793 120.117 0.676 17603 6569 1 8 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.842 -0.283 17603 6570 1 8 . 1 1 8 8 ARG C C 8 180.018 180.018 178.761 1.257 17603 6571 1 8 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.325 1.921 17603 6572 1 8 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.247 0.271 17603 6573 1 8 . 1 1 8 8 ARG H H 8 8.161 8.161 8.129 0.032 17603 6574 1 8 . 1 1 9 9 ILE N N 9 120.805 120.805 118.514 2.291 17603 6575 1 8 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.779 -0.206 17603 6576 1 8 . 1 1 9 9 ILE C C 9 177.878 177.878 177.286 0.592 17603 6577 1 8 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.781 0.495 17603 6578 1 8 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.074 0.199 17603 6579 1 8 . 1 1 9 9 ILE H H 9 7.628 7.628 7.963 -0.335 17603 6580 1 8 . 1 1 10 10 ASP N N 10 118.172 118.172 117.789 0.383 17603 6581 1 8 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.612 -0.206 17603 6582 1 8 . 1 1 10 10 ASP C C 10 178.041 178.041 178.110 -0.069 17603 6583 1 8 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.923 1.371 17603 6584 1 8 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.123 0.748 17603 6585 1 8 . 1 1 10 10 ASP H H 10 7.999 7.999 7.985 0.014 17603 6586 1 8 . 1 1 11 11 GLU N N 11 115.562 115.562 115.788 -0.226 17603 6587 1 8 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.554 0.087 17603 6588 1 8 . 1 1 11 11 GLU C C 11 178.197 178.197 177.491 0.706 17603 6589 1 8 . 1 1 11 11 GLU CA C 11 56.104 56.104 55.920 0.184 17603 6590 1 8 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.195 -0.100 17603 6591 1 8 . 1 1 11 11 GLU H H 11 8.855 8.855 8.272 0.583 17603 6592 1 8 . 1 1 12 12 GLY N N 12 109.971 109.971 108.553 1.418 17603 6593 1 8 . 1 1 12 12 GLY C C 12 170.049 170.049 171.923 -1.874 17603 6594 1 8 . 1 1 12 12 GLY CA C 12 44.694 44.694 44.988 -0.294 17603 6595 1 8 . 1 1 12 12 GLY H H 12 7.550 7.550 7.931 -0.381 17603 6596 1 8 . 1 1 13 13 LEU N N 13 117.547 117.547 121.456 -3.909 17603 6597 1 8 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.029 -0.571 17603 6598 1 8 . 1 1 13 13 LEU C C 13 175.566 175.566 175.113 0.453 17603 6599 1 8 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.516 0.056 17603 6600 1 8 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.627 -0.760 17603 6601 1 8 . 1 1 13 13 LEU H H 13 7.755 7.755 8.207 -0.452 17603 6602 1 8 . 1 1 14 14 ARG N N 14 126.722 126.722 125.079 1.643 17603 6603 1 8 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.653 0.032 17603 6604 1 8 . 1 1 14 14 ARG C C 14 175.979 175.979 175.901 0.078 17603 6605 1 8 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.877 -0.614 17603 6606 1 8 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.429 0.389 17603 6607 1 8 . 1 1 14 14 ARG H H 14 8.214 8.214 8.224 -0.010 17603 6608 1 8 . 1 1 15 15 LEU N N 15 123.112 123.112 121.325 1.787 17603 6609 1 8 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.384 -0.039 17603 6610 1 8 . 1 1 15 15 LEU C C 15 173.808 173.808 176.045 -2.237 17603 6611 1 8 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.069 -0.296 17603 6612 1 8 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.305 -2.533 17603 6613 1 8 . 1 1 15 15 LEU H H 15 8.823 8.823 8.648 0.175 17603 6614 1 8 . 1 1 16 16 LYS N N 16 115.048 115.048 119.352 -4.304 17603 6615 1 8 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.258 0.098 17603 6616 1 8 . 1 1 16 16 LYS C C 16 176.072 176.072 176.751 -0.679 17603 6617 1 8 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.200 -0.327 17603 6618 1 8 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.227 0.734 17603 6619 1 8 . 1 1 16 16 LYS H H 16 7.124 7.124 7.316 -0.192 17603 6620 1 8 . 1 1 17 17 ILE N N 17 120.916 120.916 126.321 -5.405 17603 6621 1 8 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.290 -0.182 17603 6622 1 8 . 1 1 17 17 ILE C C 17 174.826 174.826 176.489 -1.663 17603 6623 1 8 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.465 0.481 17603 6624 1 8 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.375 1.107 17603 6625 1 8 . 1 1 17 17 ILE H H 17 7.555 7.555 8.256 -0.701 17603 6626 1 8 . 1 1 18 18 TYR N N 18 128.021 128.021 125.979 2.042 17603 6627 1 8 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.114 -0.038 17603 6628 1 8 . 1 1 18 18 TYR C C 18 172.698 172.698 173.522 -0.824 17603 6629 1 8 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.291 0.315 17603 6630 1 8 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.907 0.607 17603 6631 1 8 . 1 1 18 18 TYR H H 18 9.340 9.340 9.089 0.251 17603 6632 1 8 . 1 1 19 19 LYS N N 19 122.578 122.578 120.910 1.668 17603 6633 1 8 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.548 -0.015 17603 6634 1 8 . 1 1 19 19 LYS C C 19 175.823 175.823 176.216 -0.393 17603 6635 1 8 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.001 0.105 17603 6636 1 8 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.867 0.353 17603 6637 1 8 . 1 1 19 19 LYS H H 19 8.260 8.260 8.411 -0.151 17603 6638 1 8 . 1 1 20 20 ASP N N 20 125.695 125.695 124.499 1.196 17603 6639 1 8 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.745 -0.154 17603 6640 1 8 . 1 1 20 20 ASP C C 20 178.065 178.065 178.258 -0.193 17603 6641 1 8 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.166 -0.382 17603 6642 1 8 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.573 -0.653 17603 6643 1 8 . 1 1 20 20 ASP H H 20 8.517 8.517 8.808 -0.291 17603 6644 1 8 . 1 1 21 21 THR N N 21 110.206 110.206 109.674 0.532 17603 6645 1 8 . 1 1 21 21 THR HA H 21 3.982 3.982 4.059 -0.077 17603 6646 1 8 . 1 1 21 21 THR C C 21 175.854 175.854 175.633 0.221 17603 6647 1 8 . 1 1 21 21 THR CA C 21 65.025 65.025 64.797 0.228 17603 6648 1 8 . 1 1 21 21 THR CB C 21 68.796 68.796 68.834 -0.038 17603 6649 1 8 . 1 1 21 21 THR H H 21 7.953 7.953 8.567 -0.614 17603 6650 1 8 . 1 1 22 22 GLU N N 22 120.359 120.359 119.900 0.459 17603 6651 1 8 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.293 -0.120 17603 6652 1 8 . 1 1 22 22 GLU C C 22 175.597 175.597 176.489 -0.892 17603 6653 1 8 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.636 0.662 17603 6654 1 8 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.768 0.585 17603 6655 1 8 . 1 1 22 22 GLU H H 22 8.013 8.013 8.079 -0.066 17603 6656 1 8 . 1 1 23 23 GLY N N 23 106.729 106.729 106.841 -0.112 17603 6657 1 8 . 1 1 23 23 GLY C C 23 173.526 173.526 173.915 -0.389 17603 6658 1 8 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.108 -0.142 17603 6659 1 8 . 1 1 23 23 GLY H H 23 7.841 7.841 7.853 -0.012 17603 6660 1 8 . 1 1 24 24 TYR N N 24 120.577 120.577 119.488 1.089 17603 6661 1 8 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.508 0.367 17603 6662 1 8 . 1 1 24 24 TYR C C 24 177.535 177.535 175.782 1.753 17603 6663 1 8 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.461 -1.218 17603 6664 1 8 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.068 -0.767 17603 6665 1 8 . 1 1 24 24 TYR H H 24 8.116 8.116 8.056 0.060 17603 6666 1 8 . 1 1 25 25 TYR N N 25 122.385 122.385 123.179 -0.794 17603 6667 1 8 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.887 0.048 17603 6668 1 8 . 1 1 25 25 TYR C C 25 175.310 175.310 176.202 -0.892 17603 6669 1 8 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.008 -0.214 17603 6670 1 8 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.877 2.016 17603 6671 1 8 . 1 1 25 25 TYR H H 25 8.679 8.679 8.878 -0.199 17603 6672 1 8 . 1 1 26 26 THR N N 26 120.628 120.628 118.036 2.592 17603 6673 1 8 . 1 1 26 26 THR HA H 26 5.179 5.179 5.054 0.125 17603 6674 1 8 . 1 1 26 26 THR C C 26 180.259 180.259 172.608 7.651 17603 6675 1 8 . 1 1 26 26 THR CA C 26 61.015 61.015 61.275 -0.260 17603 6676 1 8 . 1 1 26 26 THR CB C 26 72.424 72.424 72.384 0.040 17603 6677 1 8 . 1 1 26 26 THR H H 26 9.362 9.362 9.065 0.297 17603 6678 1 8 . 1 1 27 27 ILE N N 27 120.468 120.468 120.675 -0.207 17603 6679 1 8 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.515 0.031 17603 6680 1 8 . 1 1 27 27 ILE C C 27 172.440 172.440 174.637 -2.197 17603 6681 1 8 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.799 0.708 17603 6682 1 8 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.032 1.151 17603 6683 1 8 . 1 1 27 27 ILE H H 27 8.814 8.814 8.529 0.285 17603 6684 1 8 . 1 1 28 28 GLY N N 28 112.172 112.172 112.805 -0.633 17603 6685 1 8 . 1 1 28 28 GLY C C 28 174.772 174.772 174.194 0.578 17603 6686 1 8 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.071 -0.074 17603 6687 1 8 . 1 1 28 28 GLY H H 28 8.553 8.553 8.798 -0.245 17603 6688 1 8 . 1 1 29 29 ILE N N 29 133.320 133.320 125.117 8.203 17603 6689 1 8 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.407 0.418 17603 6690 1 8 . 1 1 29 29 ILE C C 29 176.677 176.677 176.620 0.057 17603 6691 1 8 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.770 -1.558 17603 6692 1 8 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.708 -0.847 17603 6693 1 8 . 1 1 29 29 ILE H H 29 10.142 10.142 8.646 1.496 17603 6694 1 8 . 1 1 30 30 GLY N N 30 108.192 108.192 112.457 -4.265 17603 6695 1 8 . 1 1 30 30 GLY C C 30 173.131 173.131 174.242 -1.111 17603 6696 1 8 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.071 1.120 17603 6697 1 8 . 1 1 30 30 GLY H H 30 8.121 8.121 8.388 -0.267 17603 6698 1 8 . 1 1 31 31 HIS N N 31 115.740 115.740 120.115 -4.375 17603 6699 1 8 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.644 -0.343 17603 6700 1 8 . 1 1 31 31 HIS C C 31 173.495 173.495 174.584 -1.089 17603 6701 1 8 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.874 1.800 17603 6702 1 8 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.999 -2.428 17603 6703 1 8 . 1 1 31 31 HIS H H 31 8.266 8.266 8.420 -0.154 17603 6704 1 8 . 1 1 32 32 LEU N N 32 132.140 132.140 128.641 3.499 17603 6705 1 8 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.999 0.090 17603 6706 1 8 . 1 1 32 32 LEU C C 32 176.486 176.486 175.660 0.826 17603 6707 1 8 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.492 0.348 17603 6708 1 8 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.204 -0.270 17603 6709 1 8 . 1 1 32 32 LEU H H 32 7.873 7.873 8.284 -0.411 17603 6710 1 8 . 1 1 33 33 LEU N N 33 125.594 125.594 126.366 -0.772 17603 6711 1 8 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.368 0.068 17603 6712 1 8 . 1 1 33 33 LEU C C 33 176.139 176.139 177.130 -0.991 17603 6713 1 8 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.929 -0.247 17603 6714 1 8 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.106 0.343 17603 6715 1 8 . 1 1 33 33 LEU H H 33 9.060 9.060 8.781 0.279 17603 6716 1 8 . 1 1 34 34 THR N N 34 109.512 109.512 109.021 0.491 17603 6717 1 8 . 1 1 34 34 THR HA H 34 4.485 4.485 4.393 0.092 17603 6718 1 8 . 1 1 34 34 THR C C 34 171.666 171.666 172.301 -0.635 17603 6719 1 8 . 1 1 34 34 THR CA C 34 60.278 60.278 61.377 -1.099 17603 6720 1 8 . 1 1 34 34 THR CB C 34 67.479 67.479 71.448 -3.969 17603 6721 1 8 . 1 1 34 34 THR H H 34 7.266 7.266 7.380 -0.114 17603 6722 1 8 . 1 1 35 35 LYS N N 35 125.041 125.041 122.552 2.489 17603 6723 1 8 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.039 0.255 17603 6724 1 8 . 1 1 35 35 LYS C C 35 176.714 176.714 176.754 -0.040 17603 6725 1 8 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.915 0.440 17603 6726 1 8 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.294 0.093 17603 6727 1 8 . 1 1 35 35 LYS H H 35 8.556 8.556 8.286 0.270 17603 6728 1 8 . 1 1 36 36 SER N N 36 119.417 119.417 117.687 1.730 17603 6729 1 8 . 1 1 36 36 SER CA C 36 57.016 57.016 56.297 0.719 17603 6730 1 8 . 1 1 36 36 SER CB C 36 64.053 64.053 63.779 0.274 17603 6731 1 8 . 1 1 36 36 SER H H 36 8.671 8.671 7.787 0.884 17603 6732 1 8 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.579 0.255 17603 6733 1 8 . 1 1 37 37 PRO C C 37 177.182 177.182 176.802 0.380 17603 6734 1 8 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.430 0.287 17603 6735 1 8 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.940 -1.288 17603 6736 1 8 . 1 1 38 38 SER N N 38 116.310 116.310 116.087 0.223 17603 6737 1 8 . 1 1 38 38 SER HA H 38 4.703 4.703 4.569 0.134 17603 6738 1 8 . 1 1 38 38 SER C C 38 174.405 174.405 175.315 -0.910 17603 6739 1 8 . 1 1 38 38 SER CA C 38 56.494 56.494 56.687 -0.193 17603 6740 1 8 . 1 1 38 38 SER CB C 38 63.608 63.608 63.584 0.024 17603 6741 1 8 . 1 1 38 38 SER H H 38 8.189 8.189 7.745 0.444 17603 6742 1 8 . 1 1 39 39 LEU N N 39 132.784 132.784 130.482 2.302 17603 6743 1 8 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.350 0.005 17603 6744 1 8 . 1 1 39 39 LEU C C 39 178.441 178.441 177.568 0.873 17603 6745 1 8 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.142 0.116 17603 6746 1 8 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.847 -0.362 17603 6747 1 8 . 1 1 39 39 LEU H H 39 8.916 8.916 8.791 0.125 17603 6748 1 8 . 1 1 40 40 ASN N N 40 116.840 116.840 117.515 -0.675 17603 6749 1 8 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.341 -0.078 17603 6750 1 8 . 1 1 40 40 ASN C C 40 178.226 178.226 177.435 0.791 17603 6751 1 8 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.976 0.362 17603 6752 1 8 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 6753 1 8 . 1 1 40 40 ASN H H 40 8.255 8.255 8.219 0.036 17603 6754 1 8 . 1 1 41 41 ALA N N 41 123.964 123.964 122.976 0.988 17603 6755 1 8 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.997 0.197 17603 6756 1 8 . 1 1 41 41 ALA C C 41 179.835 179.835 178.894 0.941 17603 6757 1 8 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.929 -0.061 17603 6758 1 8 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.354 -0.482 17603 6759 1 8 . 1 1 41 41 ALA H H 41 7.710 7.710 7.595 0.115 17603 6760 1 8 . 1 1 42 42 ALA N N 42 121.099 121.099 121.297 -0.198 17603 6761 1 8 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.875 -0.125 17603 6762 1 8 . 1 1 42 42 ALA C C 42 178.838 178.838 179.453 -0.615 17603 6763 1 8 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.105 0.428 17603 6764 1 8 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.083 0.493 17603 6765 1 8 . 1 1 42 42 ALA H H 42 7.571 7.571 7.857 -0.286 17603 6766 1 8 . 1 1 43 43 LYS N N 43 117.308 117.308 118.141 -0.833 17603 6767 1 8 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.893 -0.239 17603 6768 1 8 . 1 1 43 43 LYS C C 43 177.511 177.511 178.921 -1.410 17603 6769 1 8 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.715 0.944 17603 6770 1 8 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.139 0.288 17603 6771 1 8 . 1 1 43 43 LYS H H 43 8.377 8.377 8.251 0.126 17603 6772 1 8 . 1 1 44 44 SER N N 44 114.066 114.066 115.252 -1.186 17603 6773 1 8 . 1 1 44 44 SER HA H 44 4.256 4.256 4.166 0.090 17603 6774 1 8 . 1 1 44 44 SER C C 44 177.894 177.894 176.609 1.285 17603 6775 1 8 . 1 1 44 44 SER CA C 44 61.764 61.764 61.395 0.369 17603 6776 1 8 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.168 17603 6777 1 8 . 1 1 44 44 SER H H 44 7.895 7.895 8.146 -0.251 17603 6778 1 8 . 1 1 45 45 GLU N N 45 120.349 120.349 121.231 -0.882 17603 6779 1 8 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.044 0.063 17603 6780 1 8 . 1 1 45 45 GLU C C 45 179.336 179.336 179.151 0.185 17603 6781 1 8 . 1 1 45 45 GLU CA C 45 58.426 58.426 59.000 -0.574 17603 6782 1 8 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.329 0.019 17603 6783 1 8 . 1 1 45 45 GLU H H 45 7.988 7.988 7.882 0.106 17603 6784 1 8 . 1 1 46 46 LEU N N 46 122.887 122.887 122.366 0.521 17603 6785 1 8 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.065 -0.127 17603 6786 1 8 . 1 1 46 46 LEU C C 46 177.291 177.291 178.308 -1.017 17603 6787 1 8 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.170 -0.521 17603 6788 1 8 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.663 -0.047 17603 6789 1 8 . 1 1 46 46 LEU H H 46 8.286 8.286 8.318 -0.032 17603 6790 1 8 . 1 1 47 47 ASP N N 47 120.418 120.418 119.880 0.538 17603 6791 1 8 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.489 0.271 17603 6792 1 8 . 1 1 47 47 ASP C C 47 180.926 180.926 179.127 1.799 17603 6793 1 8 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.418 -0.100 17603 6794 1 8 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.253 -0.224 17603 6795 1 8 . 1 1 47 47 ASP H H 47 8.553 8.553 8.426 0.127 17603 6796 1 8 . 1 1 48 48 LYS N N 48 120.743 120.743 120.008 0.735 17603 6797 1 8 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.064 -0.061 17603 6798 1 8 . 1 1 48 48 LYS C C 48 178.198 178.198 178.307 -0.109 17603 6799 1 8 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.871 0.310 17603 6800 1 8 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.594 0.110 17603 6801 1 8 . 1 1 48 48 LYS H H 48 7.747 7.747 7.932 -0.185 17603 6802 1 8 . 1 1 49 49 ALA N N 49 121.258 121.258 121.933 -0.675 17603 6803 1 8 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.222 -0.066 17603 6804 1 8 . 1 1 49 49 ALA C C 49 179.386 179.386 179.199 0.187 17603 6805 1 8 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.556 -0.083 17603 6806 1 8 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.979 -0.745 17603 6807 1 8 . 1 1 49 49 ALA H H 49 7.925 7.925 7.968 -0.043 17603 6808 1 8 . 1 1 50 50 ILE N N 50 114.806 114.806 115.948 -1.142 17603 6809 1 8 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.049 0.029 17603 6810 1 8 . 1 1 50 50 ILE C C 50 177.205 177.205 177.209 -0.004 17603 6811 1 8 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.047 -1.946 17603 6812 1 8 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.423 -1.129 17603 6813 1 8 . 1 1 50 50 ILE H H 50 8.323 8.323 7.713 0.610 17603 6814 1 8 . 1 1 51 51 GLY N N 51 109.238 109.238 109.792 -0.554 17603 6815 1 8 . 1 1 51 51 GLY C C 51 173.771 173.771 173.777 -0.006 17603 6816 1 8 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.155 0.767 17603 6817 1 8 . 1 1 51 51 GLY H H 51 8.340 8.340 8.380 -0.040 17603 6818 1 8 . 1 1 52 52 ARG N N 52 115.526 115.526 116.557 -1.031 17603 6819 1 8 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.523 0.034 17603 6820 1 8 . 1 1 52 52 ARG C C 52 172.391 172.391 173.393 -1.002 17603 6821 1 8 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.815 0.265 17603 6822 1 8 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.307 -0.100 17603 6823 1 8 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17603 6824 1 8 . 1 1 53 53 ASN N N 53 115.684 115.684 120.463 -4.779 17603 6825 1 8 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.947 -0.251 17603 6826 1 8 . 1 1 53 53 ASN C C 53 175.491 175.491 174.999 0.492 17603 6827 1 8 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.828 0.323 17603 6828 1 8 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.706 -1.029 17603 6829 1 8 . 1 1 53 53 ASN H H 53 8.241 8.241 8.687 -0.446 17603 6830 1 8 . 1 1 54 54 THR N N 54 119.609 119.609 118.054 1.555 17603 6831 1 8 . 1 1 54 54 THR HA H 54 4.300 4.300 4.496 -0.196 17603 6832 1 8 . 1 1 54 54 THR C C 54 177.264 177.264 174.678 2.586 17603 6833 1 8 . 1 1 54 54 THR CA C 54 63.701 63.701 60.884 2.817 17603 6834 1 8 . 1 1 54 54 THR CB C 54 70.615 70.615 70.645 -0.030 17603 6835 1 8 . 1 1 54 54 THR H H 54 9.034 9.034 8.773 0.261 17603 6836 1 8 . 1 1 55 55 ASN N N 55 120.027 120.027 118.457 1.570 17603 6837 1 8 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.693 -0.309 17603 6838 1 8 . 1 1 55 55 ASN C C 55 175.774 175.774 175.680 0.094 17603 6839 1 8 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.040 2.386 17603 6840 1 8 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.723 -0.078 17603 6841 1 8 . 1 1 55 55 ASN H H 55 9.426 9.426 8.340 1.086 17603 6842 1 8 . 1 1 56 56 GLY N N 56 103.056 103.056 108.293 -5.237 17603 6843 1 8 . 1 1 56 56 GLY C C 56 172.072 172.072 172.895 -0.823 17603 6844 1 8 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.170 0.016 17603 6845 1 8 . 1 1 56 56 GLY H H 56 8.662 8.662 7.828 0.834 17603 6846 1 8 . 1 1 57 57 VAL N N 57 119.999 119.999 118.575 1.424 17603 6847 1 8 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.291 -0.162 17603 6848 1 8 . 1 1 57 57 VAL C C 57 174.971 174.971 174.878 0.093 17603 6849 1 8 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.689 1.332 17603 6850 1 8 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.643 0.528 17603 6851 1 8 . 1 1 57 57 VAL H H 57 7.444 7.444 7.422 0.022 17603 6852 1 8 . 1 1 58 58 ILE N N 58 116.746 116.746 121.354 -4.608 17603 6853 1 8 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.093 -0.247 17603 6854 1 8 . 1 1 58 58 ILE C C 58 175.376 175.376 175.213 0.163 17603 6855 1 8 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.913 0.726 17603 6856 1 8 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.924 -0.052 17603 6857 1 8 . 1 1 58 58 ILE H H 58 8.562 8.562 9.074 -0.512 17603 6858 1 8 . 1 1 59 59 THR N N 59 109.208 109.208 112.613 -3.405 17603 6859 1 8 . 1 1 59 59 THR HA H 59 4.632 4.632 4.660 -0.028 17603 6860 1 8 . 1 1 59 59 THR C C 59 176.431 176.431 174.813 1.618 17603 6861 1 8 . 1 1 59 59 THR CA C 59 59.899 59.899 60.185 -0.286 17603 6862 1 8 . 1 1 59 59 THR CB C 59 71.419 71.419 70.297 1.122 17603 6863 1 8 . 1 1 59 59 THR H H 59 8.682 8.682 9.056 -0.374 17603 6864 1 8 . 1 1 60 60 LYS N N 60 121.442 121.442 121.692 -0.250 17603 6865 1 8 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.957 -0.118 17603 6866 1 8 . 1 1 60 60 LYS C C 60 178.238 178.238 178.331 -0.093 17603 6867 1 8 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.463 0.300 17603 6868 1 8 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.265 -0.249 17603 6869 1 8 . 1 1 60 60 LYS H H 60 9.097 9.097 8.818 0.279 17603 6870 1 8 . 1 1 61 61 ASP N N 61 117.513 117.513 118.414 -0.901 17603 6871 1 8 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.409 -0.042 17603 6872 1 8 . 1 1 61 61 ASP C C 61 179.613 179.613 179.027 0.586 17603 6873 1 8 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.523 -0.168 17603 6874 1 8 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.177 0.344 17603 6875 1 8 . 1 1 61 61 ASP H H 61 8.234 8.234 8.532 -0.298 17603 6876 1 8 . 1 1 62 62 GLU N N 62 121.613 121.613 120.195 1.418 17603 6877 1 8 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.067 -0.178 17603 6878 1 8 . 1 1 62 62 GLU C C 62 178.900 178.900 178.826 0.074 17603 6879 1 8 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.113 -0.063 17603 6880 1 8 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.593 -0.110 17603 6881 1 8 . 1 1 62 62 GLU H H 62 7.725 7.725 7.908 -0.183 17603 6882 1 8 . 1 1 63 63 ALA N N 63 121.265 121.265 122.794 -1.529 17603 6883 1 8 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.953 -0.069 17603 6884 1 8 . 1 1 63 63 ALA C C 63 180.712 180.712 179.764 0.948 17603 6885 1 8 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.688 -0.586 17603 6886 1 8 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.398 0.093 17603 6887 1 8 . 1 1 63 63 ALA H H 63 8.500 8.500 8.397 0.103 17603 6888 1 8 . 1 1 64 64 GLU N N 64 120.135 120.135 118.218 1.917 17603 6889 1 8 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.189 -0.095 17603 6890 1 8 . 1 1 64 64 GLU C C 64 177.848 177.848 178.924 -1.076 17603 6891 1 8 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.420 0.337 17603 6892 1 8 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.632 -0.519 17603 6893 1 8 . 1 1 64 64 GLU H H 64 8.412 8.412 8.389 0.023 17603 6894 1 8 . 1 1 65 65 LYS N N 65 122.023 122.023 121.370 0.653 17603 6895 1 8 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.096 0.056 17603 6896 1 8 . 1 1 65 65 LYS C C 65 179.601 179.601 179.010 0.591 17603 6897 1 8 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.643 0.475 17603 6898 1 8 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.416 -0.096 17603 6899 1 8 . 1 1 65 65 LYS H H 65 7.853 7.853 8.007 -0.154 17603 6900 1 8 . 1 1 66 66 LEU N N 66 118.739 118.739 119.321 -0.582 17603 6901 1 8 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.937 -0.004 17603 6902 1 8 . 1 1 66 66 LEU C C 66 177.920 177.920 179.112 -1.192 17603 6903 1 8 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.913 -0.411 17603 6904 1 8 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.595 0.785 17603 6905 1 8 . 1 1 66 66 LEU H H 66 7.822 7.822 8.102 -0.280 17603 6906 1 8 . 1 1 67 67 PHE N N 67 119.050 119.050 120.252 -1.202 17603 6907 1 8 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.290 0.905 17603 6908 1 8 . 1 1 67 67 PHE C C 67 177.421 177.421 177.545 -0.124 17603 6909 1 8 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.809 -0.877 17603 6910 1 8 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.926 1.049 17603 6911 1 8 . 1 1 67 67 PHE H H 67 8.075 8.075 8.466 -0.391 17603 6912 1 8 . 1 1 68 68 ASN N N 68 118.041 118.041 117.409 0.632 17603 6913 1 8 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.367 -0.118 17603 6914 1 8 . 1 1 68 68 ASN C C 68 178.777 178.777 177.575 1.202 17603 6915 1 8 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.541 0.517 17603 6916 1 8 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.598 -0.107 17603 6917 1 8 . 1 1 68 68 ASN H H 68 8.505 8.505 8.570 -0.065 17603 6918 1 8 . 1 1 69 69 GLN N N 69 118.812 118.812 119.190 -0.378 17603 6919 1 8 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.998 0.181 17603 6920 1 8 . 1 1 69 69 GLN C C 69 178.938 178.938 178.457 0.481 17603 6921 1 8 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.161 -0.272 17603 6922 1 8 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.713 -0.161 17603 6923 1 8 . 1 1 69 69 GLN H H 69 7.763 7.763 8.094 -0.331 17603 6924 1 8 . 1 1 70 70 ASP N N 70 123.281 123.281 120.955 2.326 17603 6925 1 8 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.463 0.036 17603 6926 1 8 . 1 1 70 70 ASP C C 70 180.101 180.101 178.995 1.106 17603 6927 1 8 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.388 -0.346 17603 6928 1 8 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.602 -0.162 17603 6929 1 8 . 1 1 70 70 ASP H H 70 8.757 8.757 8.481 0.276 17603 6930 1 8 . 1 1 71 71 VAL N N 71 125.532 125.532 120.748 4.784 17603 6931 1 8 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.489 0.107 17603 6932 1 8 . 1 1 71 71 VAL C C 71 177.160 177.160 177.571 -0.411 17603 6933 1 8 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.760 1.249 17603 6934 1 8 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.237 0.346 17603 6935 1 8 . 1 1 71 71 VAL H H 71 9.015 9.015 8.369 0.646 17603 6936 1 8 . 1 1 72 72 ASP N N 72 119.221 119.221 119.985 -0.764 17603 6937 1 8 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.247 0.115 17603 6938 1 8 . 1 1 72 72 ASP C C 72 178.561 178.561 178.185 0.376 17603 6939 1 8 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.310 0.013 17603 6940 1 8 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.088 0.995 17603 6941 1 8 . 1 1 72 72 ASP H H 72 7.599 7.599 8.147 -0.548 17603 6942 1 8 . 1 1 73 73 ALA N N 73 120.038 120.038 121.706 -1.668 17603 6943 1 8 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.032 -0.033 17603 6944 1 8 . 1 1 73 73 ALA C C 73 180.491 180.491 179.555 0.936 17603 6945 1 8 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.060 0.026 17603 6946 1 8 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.206 0.316 17603 6947 1 8 . 1 1 73 73 ALA H H 73 8.276 8.276 8.255 0.021 17603 6948 1 8 . 1 1 74 74 ALA N N 74 123.435 123.435 121.720 1.715 17603 6949 1 8 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.955 0.208 17603 6950 1 8 . 1 1 74 74 ALA C C 74 178.997 178.997 179.460 -0.463 17603 6951 1 8 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.884 -0.057 17603 6952 1 8 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.424 0.006 17603 6953 1 8 . 1 1 74 74 ALA H H 74 7.925 7.925 7.698 0.227 17603 6954 1 8 . 1 1 75 75 VAL N N 75 118.091 118.091 119.054 -0.963 17603 6955 1 8 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.266 -0.035 17603 6956 1 8 . 1 1 75 75 VAL C C 75 178.108 178.108 177.970 0.138 17603 6957 1 8 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.951 0.091 17603 6958 1 8 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.485 0.353 17603 6959 1 8 . 1 1 75 75 VAL H H 75 8.141 8.141 7.891 0.250 17603 6960 1 8 . 1 1 76 76 ARG N N 76 117.779 117.779 119.362 -1.583 17603 6961 1 8 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.893 -0.092 17603 6962 1 8 . 1 1 76 76 ARG C C 76 178.816 178.816 178.916 -0.100 17603 6963 1 8 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.969 -0.057 17603 6964 1 8 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.822 0.404 17603 6965 1 8 . 1 1 76 76 ARG H H 76 8.358 8.358 8.665 -0.307 17603 6966 1 8 . 1 1 77 77 GLY N N 77 105.669 105.669 107.253 -1.584 17603 6967 1 8 . 1 1 77 77 GLY C C 77 176.097 176.097 175.779 0.318 17603 6968 1 8 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.727 -0.053 17603 6969 1 8 . 1 1 77 77 GLY H H 77 7.999 7.999 8.118 -0.119 17603 6970 1 8 . 1 1 78 78 ILE N N 78 122.001 122.001 122.045 -0.044 17603 6971 1 8 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.693 -0.050 17603 6972 1 8 . 1 1 78 78 ILE C C 78 177.194 177.194 178.270 -1.076 17603 6973 1 8 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.725 0.497 17603 6974 1 8 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.877 0.085 17603 6975 1 8 . 1 1 78 78 ILE H H 78 7.579 7.579 7.740 -0.161 17603 6976 1 8 . 1 1 79 79 LEU N N 79 115.459 115.459 117.797 -2.338 17603 6977 1 8 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.021 -0.261 17603 6978 1 8 . 1 1 79 79 LEU C C 79 178.673 178.673 178.116 0.557 17603 6979 1 8 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.948 0.269 17603 6980 1 8 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.623 -0.179 17603 6981 1 8 . 1 1 79 79 LEU H H 79 7.929 7.929 8.035 -0.106 17603 6982 1 8 . 1 1 80 80 ARG N N 80 114.830 114.830 114.609 0.221 17603 6983 1 8 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.313 -0.057 17603 6984 1 8 . 1 1 80 80 ARG C C 80 175.076 175.076 175.790 -0.714 17603 6985 1 8 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.147 -0.117 17603 6986 1 8 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.604 -0.229 17603 6987 1 8 . 1 1 80 80 ARG H H 80 7.680 7.680 7.644 0.036 17603 6988 1 8 . 1 1 81 81 ASN N N 81 120.935 120.935 118.732 2.203 17603 6989 1 8 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.795 -0.036 17603 6990 1 8 . 1 1 81 81 ASN C C 81 174.612 174.612 175.218 -0.606 17603 6991 1 8 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.292 0.222 17603 6992 1 8 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.303 -0.504 17603 6993 1 8 . 1 1 81 81 ASN H H 81 7.516 7.516 7.507 0.009 17603 6994 1 8 . 1 1 82 82 ALA N N 82 128.007 128.007 129.603 -1.596 17603 6995 1 8 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.167 -0.095 17603 6996 1 8 . 1 1 82 82 ALA C C 82 178.837 178.837 178.563 0.274 17603 6997 1 8 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.556 0.329 17603 6998 1 8 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.829 0.148 17603 6999 1 8 . 1 1 82 82 ALA H H 82 8.784 8.784 8.970 -0.186 17603 7000 1 8 . 1 1 83 83 LYS N N 83 114.232 114.232 117.387 -3.155 17603 7001 1 8 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.231 0.000 17603 7002 1 8 . 1 1 83 83 LYS C C 83 177.362 177.362 178.632 -1.270 17603 7003 1 8 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.545 -0.980 17603 7004 1 8 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.967 -0.164 17603 7005 1 8 . 1 1 83 83 LYS H H 83 8.075 8.075 8.207 -0.132 17603 7006 1 8 . 1 1 84 84 LEU N N 84 115.899 115.899 120.323 -4.424 17603 7007 1 8 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.174 0.005 17603 7008 1 8 . 1 1 84 84 LEU C C 84 178.322 178.322 178.254 0.068 17603 7009 1 8 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.224 -0.593 17603 7010 1 8 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.093 0.840 17603 7011 1 8 . 1 1 84 84 LEU H H 84 7.422 7.422 8.459 -1.037 17603 7012 1 8 . 1 1 85 85 LYS N N 85 120.723 120.723 120.624 0.099 17603 7013 1 8 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.007 0.529 17603 7014 1 8 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.492 -0.529 17603 7015 1 8 . 1 1 85 85 LYS H H 85 8.407 8.407 8.395 0.012 17603 7016 1 8 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.322 0.139 17603 7017 1 8 . 1 1 86 86 PRO C C 86 180.075 180.075 179.196 0.879 17603 7018 1 8 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.816 0.028 17603 7019 1 8 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.125 -0.318 17603 7020 1 8 . 1 1 87 87 VAL N N 87 116.002 116.002 118.690 -2.688 17603 7021 1 8 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.752 0.038 17603 7022 1 8 . 1 1 87 87 VAL C C 87 178.477 178.477 178.280 0.197 17603 7023 1 8 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.288 -0.855 17603 7024 1 8 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.749 -0.253 17603 7025 1 8 . 1 1 87 87 VAL H H 87 6.903 6.903 7.273 -0.370 17603 7026 1 8 . 1 1 88 88 TYR N N 88 123.146 123.146 121.261 1.885 17603 7027 1 8 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.134 -0.197 17603 7028 1 8 . 1 1 88 88 TYR C C 88 177.346 177.346 178.184 -0.838 17603 7029 1 8 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.988 1.024 17603 7030 1 8 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.412 1.283 17603 7031 1 8 . 1 1 88 88 TYR H H 88 8.454 8.454 8.700 -0.246 17603 7032 1 8 . 1 1 89 89 ASP N N 89 117.059 117.059 117.633 -0.574 17603 7033 1 8 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.359 -0.051 17603 7034 1 8 . 1 1 89 89 ASP C C 89 178.136 178.136 178.458 -0.322 17603 7035 1 8 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.284 -0.659 17603 7036 1 8 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.149 0.437 17603 7037 1 8 . 1 1 89 89 ASP H H 89 9.057 9.057 8.925 0.132 17603 7038 1 8 . 1 1 90 90 SER N N 90 113.398 113.398 114.114 -0.716 17603 7039 1 8 . 1 1 90 90 SER HA H 90 4.435 4.435 4.336 0.099 17603 7040 1 8 . 1 1 90 90 SER C C 90 174.464 174.464 175.017 -0.553 17603 7041 1 8 . 1 1 90 90 SER CA C 90 59.549 59.549 59.561 -0.012 17603 7042 1 8 . 1 1 90 90 SER CB C 90 64.598 64.598 63.441 1.157 17603 7043 1 8 . 1 1 90 90 SER H H 90 7.385 7.385 7.642 -0.257 17603 7044 1 8 . 1 1 91 91 LEU N N 91 123.580 123.580 123.685 -0.105 17603 7045 1 8 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.510 -0.097 17603 7046 1 8 . 1 1 91 91 LEU C C 91 176.375 176.375 176.805 -0.430 17603 7047 1 8 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.008 1.062 17603 7048 1 8 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.139 -0.329 17603 7049 1 8 . 1 1 91 91 LEU H H 91 7.477 7.477 7.354 0.123 17603 7050 1 8 . 1 1 92 92 ASP N N 92 116.218 116.218 122.040 -5.822 17603 7051 1 8 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.480 0.086 17603 7052 1 8 . 1 1 92 92 ASP C C 92 175.360 175.360 176.717 -1.357 17603 7053 1 8 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.964 -1.377 17603 7054 1 8 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.143 0.697 17603 7055 1 8 . 1 1 92 92 ASP H H 92 7.440 7.440 8.456 -1.016 17603 7056 1 8 . 1 1 93 93 ALA N N 93 119.801 119.801 122.082 -2.281 17603 7057 1 8 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.044 -0.304 17603 7058 1 8 . 1 1 93 93 ALA C C 93 179.894 179.894 179.750 0.144 17603 7059 1 8 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.814 1.415 17603 7060 1 8 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.860 0.449 17603 7061 1 8 . 1 1 93 93 ALA H H 93 8.682 8.682 8.538 0.144 17603 7062 1 8 . 1 1 94 94 VAL N N 94 118.735 118.735 118.185 0.550 17603 7063 1 8 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.234 -0.206 17603 7064 1 8 . 1 1 94 94 VAL C C 94 177.116 177.116 177.847 -0.731 17603 7065 1 8 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.779 -0.061 17603 7066 1 8 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.140 -0.200 17603 7067 1 8 . 1 1 94 94 VAL H H 94 7.580 7.580 7.584 -0.004 17603 7068 1 8 . 1 1 95 95 ARG N N 95 119.108 119.108 118.640 0.468 17603 7069 1 8 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.617 -0.337 17603 7070 1 8 . 1 1 95 95 ARG C C 95 178.366 178.366 178.722 -0.356 17603 7071 1 8 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.383 1.031 17603 7072 1 8 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.973 0.450 17603 7073 1 8 . 1 1 95 95 ARG H H 95 7.729 7.729 8.082 -0.353 17603 7074 1 8 . 1 1 96 96 ARG N N 96 118.307 118.307 119.583 -1.276 17603 7075 1 8 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.989 -0.335 17603 7076 1 8 . 1 1 96 96 ARG C C 96 177.841 177.841 178.401 -0.560 17603 7077 1 8 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.400 1.258 17603 7078 1 8 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.697 0.814 17603 7079 1 8 . 1 1 96 96 ARG H H 96 8.638 8.638 8.394 0.244 17603 7080 1 8 . 1 1 97 97 ALA N N 97 120.196 120.196 121.300 -1.104 17603 7081 1 8 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.017 -0.030 17603 7082 1 8 . 1 1 97 97 ALA C C 97 178.768 178.768 178.979 -0.211 17603 7083 1 8 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.063 0.171 17603 7084 1 8 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.257 -0.003 17603 7085 1 8 . 1 1 97 97 ALA H H 97 7.019 7.019 7.447 -0.428 17603 7086 1 8 . 1 1 98 98 ALA N N 98 119.143 119.143 121.072 -1.929 17603 7087 1 8 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.788 -0.216 17603 7088 1 8 . 1 1 98 98 ALA C C 98 177.328 177.328 179.187 -1.859 17603 7089 1 8 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.523 0.914 17603 7090 1 8 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.538 -1.645 17603 7091 1 8 . 1 1 98 98 ALA H H 98 7.097 7.097 7.210 -0.113 17603 7092 1 8 . 1 1 99 99 ALA N N 99 119.971 119.971 121.743 -1.772 17603 7093 1 8 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.034 -0.438 17603 7094 1 8 . 1 1 99 99 ALA C C 99 178.026 178.026 179.734 -1.708 17603 7095 1 8 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.136 0.248 17603 7096 1 8 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.640 -0.223 17603 7097 1 8 . 1 1 99 99 ALA H H 99 7.665 7.665 7.697 -0.032 17603 7098 1 8 . 1 1 100 100 ILE N N 100 116.372 116.372 117.653 -1.281 17603 7099 1 8 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.606 -0.274 17603 7100 1 8 . 1 1 100 100 ILE C C 100 177.103 177.103 177.998 -0.895 17603 7101 1 8 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.290 -0.632 17603 7102 1 8 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.636 -0.625 17603 7103 1 8 . 1 1 100 100 ILE H H 100 8.110 8.110 8.357 -0.247 17603 7104 1 8 . 1 1 101 101 ASN N N 101 116.550 116.550 119.030 -2.480 17603 7105 1 8 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.586 -0.699 17603 7106 1 8 . 1 1 101 101 ASN C C 101 177.350 177.350 177.063 0.287 17603 7107 1 8 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.729 1.367 17603 7108 1 8 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.492 0.430 17603 7109 1 8 . 1 1 101 101 ASN H H 101 8.098 8.098 7.948 0.150 17603 7110 1 8 . 1 1 102 102 MET N N 102 114.177 114.177 116.578 -2.401 17603 7111 1 8 . 1 1 102 102 MET HA H 102 3.746 3.746 4.101 -0.355 17603 7112 1 8 . 1 1 102 102 MET C C 102 177.507 177.507 176.870 0.637 17603 7113 1 8 . 1 1 102 102 MET CA C 102 60.473 60.473 56.469 4.004 17603 7114 1 8 . 1 1 102 102 MET CB C 102 33.218 33.218 31.890 1.328 17603 7115 1 8 . 1 1 102 102 MET H H 102 7.647 7.647 7.979 -0.332 17603 7116 1 8 . 1 1 103 103 VAL N N 103 107.836 107.836 115.086 -7.250 17603 7117 1 8 . 1 1 103 103 VAL HA H 103 4.198 4.198 3.957 0.241 17603 7118 1 8 . 1 1 103 103 VAL C C 103 175.893 175.893 176.298 -0.405 17603 7119 1 8 . 1 1 103 103 VAL CA C 103 60.939 60.939 62.511 -1.571 17603 7120 1 8 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.881 -1.783 17603 7121 1 8 . 1 1 103 103 VAL H H 103 7.332 7.332 7.383 -0.051 17603 7122 1 8 . 1 1 104 104 PHE N N 104 125.985 125.985 123.423 2.562 17603 7123 1 8 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.231 -0.124 17603 7124 1 8 . 1 1 104 104 PHE C C 104 176.884 176.884 174.731 2.153 17603 7125 1 8 . 1 1 104 104 PHE CA C 104 60.915 60.915 59.514 1.401 17603 7126 1 8 . 1 1 104 104 PHE CB C 104 39.768 39.768 38.614 1.154 17603 7127 1 8 . 1 1 104 104 PHE H H 104 7.978 7.978 7.721 0.257 17603 7128 1 8 . 1 1 105 105 GLN N N 105 120.302 120.302 120.468 -0.166 17603 7129 1 8 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.764 -0.254 17603 7130 1 8 . 1 1 105 105 GLN C C 105 174.976 174.976 174.629 0.347 17603 7131 1 8 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.483 1.247 17603 7132 1 8 . 1 1 105 105 GLN CB C 105 27.304 27.304 25.696 1.608 17603 7133 1 8 . 1 1 105 105 GLN H H 105 8.448 8.448 8.331 0.117 17603 7134 1 8 . 1 1 106 106 MET N N 106 117.189 117.189 119.520 -2.331 17603 7135 1 8 . 1 1 106 106 MET HA H 106 4.184 4.184 4.612 -0.428 17603 7136 1 8 . 1 1 106 106 MET C C 106 176.961 176.961 176.221 0.740 17603 7137 1 8 . 1 1 106 106 MET CA C 106 54.873 54.873 54.850 0.023 17603 7138 1 8 . 1 1 106 106 MET CB C 106 30.057 30.057 33.433 -3.376 17603 7139 1 8 . 1 1 106 106 MET H H 106 8.987 8.987 7.405 1.582 17603 7140 1 8 . 1 1 107 107 GLY N N 107 107.787 107.787 113.266 -5.479 17603 7141 1 8 . 1 1 107 107 GLY C C 107 174.999 174.999 174.942 0.057 17603 7142 1 8 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.413 1.806 17603 7143 1 8 . 1 1 107 107 GLY H H 107 7.777 7.777 8.382 -0.605 17603 7144 1 8 . 1 1 108 108 GLU N N 108 123.604 123.604 119.823 3.781 17603 7145 1 8 . 1 1 108 108 GLU HA H 108 3.984 3.984 3.999 -0.015 17603 7146 1 8 . 1 1 108 108 GLU C C 108 179.574 179.574 178.882 0.692 17603 7147 1 8 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.691 0.253 17603 7148 1 8 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.564 0.375 17603 7149 1 8 . 1 1 108 108 GLU H H 108 8.779 8.779 8.955 -0.176 17603 7150 1 8 . 1 1 109 109 THR N N 109 111.822 111.822 115.868 -4.046 17603 7151 1 8 . 1 1 109 109 THR HA H 109 4.176 4.176 4.147 0.029 17603 7152 1 8 . 1 1 109 109 THR C C 109 178.459 178.459 176.553 1.906 17603 7153 1 8 . 1 1 109 109 THR CA C 109 65.535 65.535 67.155 -1.620 17603 7154 1 8 . 1 1 109 109 THR CB C 109 67.945 67.945 68.222 -0.277 17603 7155 1 8 . 1 1 109 109 THR H H 109 8.576 8.576 8.361 0.215 17603 7156 1 8 . 1 1 110 110 GLY N N 110 115.113 115.113 109.348 5.765 17603 7157 1 8 . 1 1 110 110 GLY C C 110 175.653 175.653 175.736 -0.083 17603 7158 1 8 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.500 0.717 17603 7159 1 8 . 1 1 110 110 GLY H H 110 8.521 8.521 7.664 0.857 17603 7160 1 8 . 1 1 111 111 VAL N N 111 120.852 120.852 123.320 -2.468 17603 7161 1 8 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.574 -0.053 17603 7162 1 8 . 1 1 111 111 VAL C C 111 179.689 179.689 177.981 1.708 17603 7163 1 8 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.510 0.544 17603 7164 1 8 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.715 0.117 17603 7165 1 8 . 1 1 111 111 VAL H H 111 8.048 8.048 7.861 0.187 17603 7166 1 8 . 1 1 112 112 ALA N N 112 124.525 124.525 122.204 2.321 17603 7167 1 8 . 1 1 112 112 ALA HA H 112 4.142 4.142 3.954 0.188 17603 7168 1 8 . 1 1 112 112 ALA C C 112 179.412 179.412 178.986 0.426 17603 7169 1 8 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.256 0.167 17603 7170 1 8 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.209 0.049 17603 7171 1 8 . 1 1 112 112 ALA H H 112 8.255 8.255 8.287 -0.032 17603 7172 1 8 . 1 1 113 113 ALA N N 113 120.490 120.490 121.016 -0.526 17603 7173 1 8 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.109 0.073 17603 7174 1 8 . 1 1 113 113 ALA C C 113 179.965 179.965 179.445 0.520 17603 7175 1 8 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.636 0.334 17603 7176 1 8 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.524 -0.461 17603 7177 1 8 . 1 1 113 113 ALA H H 113 7.861 7.861 7.789 0.072 17603 7178 1 8 . 1 1 114 114 PHE N N 114 120.157 120.157 119.356 0.801 17603 7179 1 8 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.308 -0.251 17603 7180 1 8 . 1 1 114 114 PHE C C 114 177.765 177.765 178.143 -0.378 17603 7181 1 8 . 1 1 114 114 PHE CA C 114 59.933 59.933 59.655 0.278 17603 7182 1 8 . 1 1 114 114 PHE CB C 114 39.124 39.124 39.001 0.123 17603 7183 1 8 . 1 1 114 114 PHE H H 114 8.126 8.126 8.390 -0.264 17603 7184 1 8 . 1 1 115 115 THR N N 115 114.478 114.478 116.227 -1.749 17603 7185 1 8 . 1 1 115 115 THR HA H 115 3.470 3.470 3.783 -0.313 17603 7186 1 8 . 1 1 115 115 THR C C 115 176.924 176.924 176.849 0.075 17603 7187 1 8 . 1 1 115 115 THR CA C 115 67.000 67.000 67.016 -0.016 17603 7188 1 8 . 1 1 115 115 THR CB C 115 68.320 68.320 68.416 -0.096 17603 7189 1 8 . 1 1 115 115 THR H H 115 8.504 8.504 8.187 0.317 17603 7190 1 8 . 1 1 116 116 ASN N N 116 119.632 119.632 118.115 1.517 17603 7191 1 8 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.626 -0.126 17603 7192 1 8 . 1 1 116 116 ASN C C 116 176.009 176.009 175.795 0.214 17603 7193 1 8 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.060 2.183 17603 7194 1 8 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.389 0.211 17603 7195 1 8 . 1 1 116 116 ASN H H 116 8.337 8.337 7.824 0.513 17603 7196 1 8 . 1 1 117 117 SER N N 117 112.765 112.765 111.172 1.593 17603 7197 1 8 . 1 1 117 117 SER HA H 117 4.590 4.590 4.629 -0.039 17603 7198 1 8 . 1 1 117 117 SER C C 117 174.808 174.808 174.537 0.271 17603 7199 1 8 . 1 1 117 117 SER CA C 117 59.470 59.470 58.070 1.400 17603 7200 1 8 . 1 1 117 117 SER CB C 117 64.474 64.474 64.216 0.258 17603 7201 1 8 . 1 1 117 117 SER H H 117 7.424 7.424 7.555 -0.131 17603 7202 1 8 . 1 1 118 118 LEU N N 118 122.210 122.210 124.082 -1.872 17603 7203 1 8 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.158 0.492 17603 7204 1 8 . 1 1 118 118 LEU H H 118 7.195 7.195 7.075 0.120 17603 7205 1 8 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.131 0.151 17603 7206 1 8 . 1 1 119 119 PRO C C 119 179.207 179.207 178.667 0.540 17603 7207 1 8 . 1 1 119 119 PRO CA C 119 66.239 66.239 66.017 0.222 17603 7208 1 8 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.323 -0.353 17603 7209 1 8 . 1 1 120 120 MET N N 120 112.465 112.465 115.368 -2.903 17603 7210 1 8 . 1 1 120 120 MET HA H 120 4.005 4.005 4.128 -0.123 17603 7211 1 8 . 1 1 120 120 MET C C 120 178.137 178.137 178.497 -0.360 17603 7212 1 8 . 1 1 120 120 MET CA C 120 58.747 58.747 57.834 0.913 17603 7213 1 8 . 1 1 120 120 MET CB C 120 32.510 32.510 31.408 1.102 17603 7214 1 8 . 1 1 120 120 MET H H 120 7.126 7.126 7.864 -0.738 17603 7215 1 8 . 1 1 121 121 LEU N N 121 118.534 118.534 119.465 -0.931 17603 7216 1 8 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.924 -0.083 17603 7217 1 8 . 1 1 121 121 LEU C C 121 180.140 180.140 179.748 0.392 17603 7218 1 8 . 1 1 121 121 LEU CA C 121 57.379 57.379 57.917 -0.538 17603 7219 1 8 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.243 0.894 17603 7220 1 8 . 1 1 121 121 LEU H H 121 7.695 7.695 8.135 -0.440 17603 7221 1 8 . 1 1 122 122 GLN N N 122 119.537 119.537 119.434 0.103 17603 7222 1 8 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.016 -0.154 17603 7223 1 8 . 1 1 122 122 GLN C C 122 176.722 176.722 177.836 -1.114 17603 7224 1 8 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.218 0.622 17603 7225 1 8 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.771 0.020 17603 7226 1 8 . 1 1 122 122 GLN H H 122 8.845 8.845 8.365 0.480 17603 7227 1 8 . 1 1 123 123 GLN N N 123 113.333 113.333 115.628 -2.295 17603 7228 1 8 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.207 -0.053 17603 7229 1 8 . 1 1 123 123 GLN C C 123 174.075 174.075 175.094 -1.019 17603 7230 1 8 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.564 -0.555 17603 7231 1 8 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.872 0.861 17603 7232 1 8 . 1 1 123 123 GLN H H 123 6.862 6.862 7.484 -0.622 17603 7233 1 8 . 1 1 124 124 LYS N N 124 114.431 114.431 114.476 -0.045 17603 7234 1 8 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.261 2.194 17603 7235 1 8 . 1 1 124 124 LYS C C 124 174.727 174.727 175.147 -0.420 17603 7236 1 8 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.411 0.038 17603 7237 1 8 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.811 -0.428 17603 7238 1 8 . 1 1 124 124 LYS H H 124 7.238 7.238 7.400 -0.162 17603 7239 1 8 . 1 1 125 125 ARG N N 125 119.411 119.411 118.647 0.764 17603 7240 1 8 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.179 0.081 17603 7241 1 8 . 1 1 125 125 ARG C C 125 177.251 177.251 176.356 0.895 17603 7242 1 8 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.530 -0.957 17603 7243 1 8 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.581 -0.370 17603 7244 1 8 . 1 1 125 125 ARG H H 125 7.651 7.651 7.795 -0.144 17603 7245 1 8 . 1 1 126 126 TRP N N 126 119.823 119.823 123.554 -3.731 17603 7246 1 8 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.263 0.059 17603 7247 1 8 . 1 1 126 126 TRP C C 126 178.830 178.830 177.725 1.105 17603 7248 1 8 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.469 -1.645 17603 7249 1 8 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.302 2.159 17603 7250 1 8 . 1 1 126 126 TRP H H 126 6.865 6.865 7.443 -0.578 17603 7251 1 8 . 1 1 127 127 ASP N N 127 116.894 116.894 117.813 -0.919 17603 7252 1 8 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.412 -0.012 17603 7253 1 8 . 1 1 127 127 ASP C C 127 178.748 178.748 178.557 0.191 17603 7254 1 8 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.987 -0.302 17603 7255 1 8 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.847 0.200 17603 7256 1 8 . 1 1 127 127 ASP H H 127 8.598 8.598 8.851 -0.253 17603 7257 1 8 . 1 1 128 128 GLU N N 128 120.788 120.788 120.296 0.492 17603 7258 1 8 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.082 -0.108 17603 7259 1 8 . 1 1 128 128 GLU C C 128 180.057 180.057 178.444 1.613 17603 7260 1 8 . 1 1 128 128 GLU CA C 128 59.526 59.526 58.984 0.542 17603 7261 1 8 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.922 0.949 17603 7262 1 8 . 1 1 128 128 GLU H H 128 8.191 8.191 8.279 -0.088 17603 7263 1 8 . 1 1 129 129 ALA N N 129 122.103 122.103 121.935 0.168 17603 7264 1 8 . 1 1 129 129 ALA HA H 129 3.970 3.970 4.011 -0.041 17603 7265 1 8 . 1 1 129 129 ALA C C 129 178.495 178.495 179.681 -1.186 17603 7266 1 8 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.118 -0.075 17603 7267 1 8 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.176 -0.405 17603 7268 1 8 . 1 1 129 129 ALA H H 129 8.587 8.587 8.526 0.061 17603 7269 1 8 . 1 1 130 130 ALA N N 130 119.336 119.336 121.107 -1.771 17603 7270 1 8 . 1 1 130 130 ALA HA H 130 4.043 4.043 4.020 0.023 17603 7271 1 8 . 1 1 130 130 ALA C C 130 179.804 179.804 179.583 0.221 17603 7272 1 8 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.029 0.789 17603 7273 1 8 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.542 0.354 17603 7274 1 8 . 1 1 130 130 ALA H H 130 8.235 8.235 7.991 0.244 17603 7275 1 8 . 1 1 131 131 VAL N N 131 118.685 118.685 118.959 -0.274 17603 7276 1 8 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.380 0.199 17603 7277 1 8 . 1 1 131 131 VAL C C 131 178.078 178.078 177.701 0.377 17603 7278 1 8 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.904 -0.585 17603 7279 1 8 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.500 0.635 17603 7280 1 8 . 1 1 131 131 VAL H H 131 7.697 7.697 8.158 -0.461 17603 7281 1 8 . 1 1 132 132 ASN N N 132 118.648 118.648 118.314 0.334 17603 7282 1 8 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.357 -0.096 17603 7283 1 8 . 1 1 132 132 ASN C C 132 178.965 178.965 177.808 1.157 17603 7284 1 8 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.730 0.442 17603 7285 1 8 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.575 1.223 17603 7286 1 8 . 1 1 132 132 ASN H H 132 7.569 7.569 8.046 -0.477 17603 7287 1 8 . 1 1 133 133 LEU N N 133 120.750 120.750 119.150 1.600 17603 7288 1 8 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.370 -0.144 17603 7289 1 8 . 1 1 133 133 LEU C C 133 179.956 179.956 179.394 0.562 17603 7290 1 8 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.779 0.298 17603 7291 1 8 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.215 1.798 17603 7292 1 8 . 1 1 133 133 LEU H H 133 8.903 8.903 7.801 1.101 17603 7293 1 8 . 1 1 134 134 ALA N N 134 121.339 121.339 120.669 0.670 17603 7294 1 8 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.415 0.237 17603 7295 1 8 . 1 1 134 134 ALA C C 134 176.582 176.582 178.271 -1.689 17603 7296 1 8 . 1 1 134 134 ALA CA C 134 53.195 53.195 54.251 -1.056 17603 7297 1 8 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.282 -0.746 17603 7298 1 8 . 1 1 134 134 ALA H H 134 7.681 7.681 7.789 -0.108 17603 7299 1 8 . 1 1 135 135 LYS N N 135 116.197 116.197 115.399 0.798 17603 7300 1 8 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.474 -0.104 17603 7301 1 8 . 1 1 135 135 LYS C C 135 176.573 176.573 176.152 0.421 17603 7302 1 8 . 1 1 135 135 LYS CA C 135 55.564 55.564 54.879 0.685 17603 7303 1 8 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.363 0.333 17603 7304 1 8 . 1 1 135 135 LYS H H 135 7.168 7.168 7.805 -0.637 17603 7305 1 8 . 1 1 136 136 SER N N 136 115.115 115.115 116.212 -1.097 17603 7306 1 8 . 1 1 136 136 SER HA H 136 4.503 4.503 4.738 -0.235 17603 7307 1 8 . 1 1 136 136 SER C C 136 174.968 174.968 175.082 -0.114 17603 7308 1 8 . 1 1 136 136 SER CA C 136 58.565 58.565 56.650 1.915 17603 7309 1 8 . 1 1 136 136 SER CB C 136 66.690 66.690 65.537 1.153 17603 7310 1 8 . 1 1 136 136 SER H H 136 7.546 7.546 7.917 -0.371 17603 7311 1 8 . 1 1 137 137 ARG N N 137 122.827 122.827 124.413 -1.586 17603 7312 1 8 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.096 0.101 17603 7313 1 8 . 1 1 137 137 ARG C C 137 178.570 178.570 178.081 0.489 17603 7314 1 8 . 1 1 137 137 ARG CA C 137 59.338 59.338 60.303 -0.966 17603 7315 1 8 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.229 -0.437 17603 7316 1 8 . 1 1 137 137 ARG H H 137 8.786 8.786 8.952 -0.166 17603 7317 1 8 . 1 1 138 138 TRP N N 138 119.297 119.297 120.936 -1.639 17603 7318 1 8 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.330 -0.252 17603 7319 1 8 . 1 1 138 138 TRP C C 138 176.101 176.101 177.921 -1.820 17603 7320 1 8 . 1 1 138 138 TRP CA C 138 61.807 61.807 61.382 0.425 17603 7321 1 8 . 1 1 138 138 TRP CB C 138 28.775 28.775 28.910 -0.135 17603 7322 1 8 . 1 1 138 138 TRP H H 138 8.256 8.256 8.363 -0.107 17603 7323 1 8 . 1 1 139 139 TYR N N 139 117.950 117.950 118.643 -0.693 17603 7324 1 8 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.587 -0.471 17603 7325 1 8 . 1 1 139 139 TYR C C 139 175.615 175.615 176.534 -0.919 17603 7326 1 8 . 1 1 139 139 TYR CA C 139 60.801 60.801 60.886 -0.085 17603 7327 1 8 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.287 0.529 17603 7328 1 8 . 1 1 139 139 TYR H H 139 7.786 7.786 7.879 -0.093 17603 7329 1 8 . 1 1 140 140 ASN N N 140 111.511 111.511 116.502 -4.991 17603 7330 1 8 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.393 -0.142 17603 7331 1 8 . 1 1 140 140 ASN C C 140 176.804 176.804 177.255 -0.451 17603 7332 1 8 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.324 0.035 17603 7333 1 8 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.160 1.430 17603 7334 1 8 . 1 1 140 140 ASN H H 140 7.115 7.115 7.791 -0.676 17603 7335 1 8 . 1 1 141 141 GLN N N 141 117.466 117.466 117.289 0.177 17603 7336 1 8 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.252 -0.139 17603 7337 1 8 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.403 0.326 17603 7338 1 8 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.737 -0.090 17603 7339 1 8 . 1 1 141 141 GLN H H 141 7.855 7.855 7.986 -0.131 17603 7340 1 8 . 1 1 142 142 THR N N 142 110.630 110.630 109.649 0.981 17603 7341 1 8 . 1 1 142 142 THR CA C 142 56.326 56.326 59.366 -3.040 17603 7342 1 8 . 1 1 142 142 THR CB C 142 69.490 69.490 69.672 -0.182 17603 7343 1 8 . 1 1 142 142 THR H H 142 6.964 6.964 7.597 -0.633 17603 7344 1 8 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.458 0.203 17603 7345 1 8 . 1 1 143 143 PRO C C 143 178.494 178.494 177.536 0.958 17603 7346 1 8 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.472 1.140 17603 7347 1 8 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.516 0.356 17603 7348 1 8 . 1 1 144 144 ASN N N 144 116.334 116.334 117.354 -1.020 17603 7349 1 8 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.342 -0.027 17603 7350 1 8 . 1 1 144 144 ASN C C 144 177.341 177.341 177.257 0.084 17603 7351 1 8 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.178 0.490 17603 7352 1 8 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.679 -0.013 17603 7353 1 8 . 1 1 144 144 ASN H H 144 7.971 7.971 8.452 -0.481 17603 7354 1 8 . 1 1 145 145 ARG N N 145 121.642 121.642 120.495 1.147 17603 7355 1 8 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.083 -0.153 17603 7356 1 8 . 1 1 145 145 ARG C C 145 177.087 177.087 177.895 -0.808 17603 7357 1 8 . 1 1 145 145 ARG CA C 145 58.135 58.135 58.862 -0.727 17603 7358 1 8 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.288 1.167 17603 7359 1 8 . 1 1 145 145 ARG H H 145 7.750 7.750 8.198 -0.448 17603 7360 1 8 . 1 1 146 146 ALA N N 146 119.316 119.316 122.114 -2.798 17603 7361 1 8 . 1 1 146 146 ALA HA H 146 3.858 3.858 3.880 -0.022 17603 7362 1 8 . 1 1 146 146 ALA C C 146 179.664 179.664 178.765 0.899 17603 7363 1 8 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.265 0.276 17603 7364 1 8 . 1 1 146 146 ALA CB C 146 20.015 20.015 17.640 2.375 17603 7365 1 8 . 1 1 146 146 ALA H H 146 8.429 8.429 8.294 0.135 17603 7366 1 8 . 1 1 147 147 LYS N N 147 116.714 116.714 118.935 -2.221 17603 7367 1 8 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.085 -0.044 17603 7368 1 8 . 1 1 147 147 LYS C C 147 179.974 179.974 178.922 1.052 17603 7369 1 8 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.924 0.805 17603 7370 1 8 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.360 0.428 17603 7371 1 8 . 1 1 147 147 LYS H H 147 8.253 8.253 8.016 0.237 17603 7372 1 8 . 1 1 148 148 ARG N N 148 119.234 119.234 118.823 0.411 17603 7373 1 8 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.942 -0.109 17603 7374 1 8 . 1 1 148 148 ARG C C 148 180.146 180.146 178.989 1.157 17603 7375 1 8 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.305 1.488 17603 7376 1 8 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.050 0.188 17603 7377 1 8 . 1 1 148 148 ARG H H 148 7.279 7.279 7.567 -0.288 17603 7378 1 8 . 1 1 149 149 VAL N N 149 125.307 125.307 120.555 4.752 17603 7379 1 8 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.809 -0.352 17603 7380 1 8 . 1 1 149 149 VAL C C 149 178.460 178.460 178.350 0.110 17603 7381 1 8 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.653 1.515 17603 7382 1 8 . 1 1 149 149 VAL CB C 149 32.455 32.455 32.065 0.391 17603 7383 1 8 . 1 1 149 149 VAL H H 149 8.816 8.816 7.756 1.060 17603 7384 1 8 . 1 1 150 150 ILE N N 150 121.097 121.097 121.016 0.081 17603 7385 1 8 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.947 -0.061 17603 7386 1 8 . 1 1 150 150 ILE C C 150 178.378 178.378 178.173 0.205 17603 7387 1 8 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.910 1.458 17603 7388 1 8 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.901 -0.202 17603 7389 1 8 . 1 1 150 150 ILE H H 150 9.547 9.547 8.984 0.563 17603 7390 1 8 . 1 1 151 151 THR N N 151 117.959 117.959 116.809 1.150 17603 7391 1 8 . 1 1 151 151 THR HA H 151 3.933 3.933 4.038 -0.105 17603 7392 1 8 . 1 1 151 151 THR C C 151 176.283 176.283 176.569 -0.286 17603 7393 1 8 . 1 1 151 151 THR CA C 151 67.403 67.403 67.654 -0.251 17603 7394 1 8 . 1 1 151 151 THR CB C 151 68.172 68.172 68.359 -0.187 17603 7395 1 8 . 1 1 151 151 THR H H 151 8.444 8.444 8.543 -0.099 17603 7396 1 8 . 1 1 152 152 THR N N 152 122.010 122.010 119.783 2.227 17603 7397 1 8 . 1 1 152 152 THR HA H 152 3.944 3.944 4.199 -0.255 17603 7398 1 8 . 1 1 152 152 THR C C 152 176.671 176.671 176.299 0.372 17603 7399 1 8 . 1 1 152 152 THR CA C 152 67.498 67.498 66.883 0.615 17603 7400 1 8 . 1 1 152 152 THR H H 152 7.964 7.964 7.790 0.174 17603 7401 1 8 . 1 1 153 153 PHE N N 153 120.387 120.387 121.398 -1.011 17603 7402 1 8 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.125 -0.172 17603 7403 1 8 . 1 1 153 153 PHE C C 153 178.321 178.321 177.417 0.904 17603 7404 1 8 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.443 1.266 17603 7405 1 8 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.457 0.883 17603 7406 1 8 . 1 1 153 153 PHE H H 153 8.375 8.375 8.279 0.096 17603 7407 1 8 . 1 1 154 154 ARG N N 154 118.015 118.015 119.548 -1.533 17603 7408 1 8 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.186 -0.116 17603 7409 1 8 . 1 1 154 154 ARG C C 154 178.076 178.076 178.504 -0.428 17603 7410 1 8 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.940 0.422 17603 7411 1 8 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.585 0.961 17603 7412 1 8 . 1 1 154 154 ARG H H 154 8.795 8.795 8.433 0.362 17603 7413 1 8 . 1 1 155 155 THR N N 155 104.622 104.622 108.823 -4.201 17603 7414 1 8 . 1 1 155 155 THR HA H 155 4.252 4.252 4.302 -0.050 17603 7415 1 8 . 1 1 155 155 THR C C 155 176.765 176.765 175.751 1.014 17603 7416 1 8 . 1 1 155 155 THR CA C 155 62.470 62.470 62.122 0.348 17603 7417 1 8 . 1 1 155 155 THR CB C 155 71.330 71.330 69.924 1.407 17603 7418 1 8 . 1 1 155 155 THR H H 155 8.169 8.169 7.915 0.254 17603 7419 1 8 . 1 1 156 156 GLY N N 156 111.689 111.689 112.333 -0.644 17603 7420 1 8 . 1 1 156 156 GLY C C 156 172.933 172.933 174.178 -1.245 17603 7421 1 8 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.928 0.239 17603 7422 1 8 . 1 1 156 156 GLY H H 156 8.491 8.491 8.023 0.468 17603 7423 1 8 . 1 1 157 157 THR N N 157 108.301 108.301 110.552 -2.251 17603 7424 1 8 . 1 1 157 157 THR HA H 157 4.637 4.637 4.378 0.259 17603 7425 1 8 . 1 1 157 157 THR C C 157 174.086 174.086 173.036 1.050 17603 7426 1 8 . 1 1 157 157 THR CA C 157 58.748 58.748 59.386 -0.638 17603 7427 1 8 . 1 1 157 157 THR CB C 157 72.418 72.418 71.532 0.886 17603 7428 1 8 . 1 1 157 157 THR H H 157 7.603 7.603 7.257 0.346 17603 7429 1 8 . 1 1 158 158 TRP N N 158 118.038 118.038 119.736 -1.698 17603 7430 1 8 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.938 0.126 17603 7431 1 8 . 1 1 158 158 TRP C C 158 177.922 177.922 176.875 1.047 17603 7432 1 8 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.473 -0.127 17603 7433 1 8 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.369 0.410 17603 7434 1 8 . 1 1 158 158 TRP H H 158 8.602 8.602 8.605 -0.003 17603 7435 1 8 . 1 1 159 159 ASP N N 159 119.620 119.620 122.146 -2.526 17603 7436 1 8 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.459 -0.266 17603 7437 1 8 . 1 1 159 159 ASP C C 159 177.407 177.407 178.102 -0.695 17603 7438 1 8 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.618 1.161 17603 7439 1 8 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.245 0.429 17603 7440 1 8 . 1 1 159 159 ASP H H 159 7.909 7.909 7.850 0.059 17603 7441 1 8 . 1 1 160 160 ALA N N 160 119.985 119.985 121.163 -1.178 17603 7442 1 8 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.177 0.024 17603 7443 1 8 . 1 1 160 160 ALA C C 160 177.362 177.362 177.929 -0.567 17603 7444 1 8 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.655 0.074 17603 7445 1 8 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.526 0.092 17603 7446 1 8 . 1 1 160 160 ALA H H 160 9.187 9.187 8.339 0.848 17603 7447 1 8 . 1 1 161 161 TYR N N 161 113.735 113.735 113.346 0.389 17603 7448 1 8 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.640 -0.393 17603 7449 1 8 . 1 1 161 161 TYR C C 161 175.125 175.125 177.427 -2.302 17603 7450 1 8 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.236 0.673 17603 7451 1 8 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.418 0.438 17603 7452 1 8 . 1 1 161 161 TYR H H 161 8.061 8.061 8.012 0.049 17603 7453 1 8 . 1 1 162 162 LYS N N 162 119.491 119.491 120.353 -0.862 17603 7454 1 8 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.232 -0.083 17603 7455 1 8 . 1 1 162 162 LYS C C 162 176.030 176.030 177.876 -1.846 17603 7456 1 8 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.396 -0.938 17603 7457 1 8 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.207 -3.079 17603 7458 1 8 . 1 1 162 162 LYS H H 162 7.262 7.262 7.668 -0.406 17603 7459 1 8 . 1 1 163 163 ASN N N 163 117.131 117.131 115.962 1.169 17603 7460 1 8 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.681 -0.091 17603 7461 1 8 . 1 1 163 163 ASN C C 163 173.691 173.691 175.323 -1.632 17603 7462 1 8 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.504 0.380 17603 7463 1 8 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.060 -0.918 17603 7464 1 8 . 1 1 163 163 ASN H H 163 8.457 8.457 8.406 0.051 17603 7465 1 9 . 1 1 2 2 ASN N N 2 115.826 115.826 119.797 -3.971 17603 7466 1 9 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.581 -0.114 17603 7467 1 9 . 1 1 2 2 ASN C C 2 174.640 174.640 174.600 0.040 17603 7468 1 9 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.056 -0.142 17603 7469 1 9 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.060 0.184 17603 7470 1 9 . 1 1 2 2 ASN H H 2 6.923 6.923 7.739 -0.816 17603 7471 1 9 . 1 1 3 3 ILE N N 3 116.880 116.880 119.966 -3.086 17603 7472 1 9 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.887 0.190 17603 7473 1 9 . 1 1 3 3 ILE C C 3 174.099 174.099 176.439 -2.340 17603 7474 1 9 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.983 -1.352 17603 7475 1 9 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.931 0.261 17603 7476 1 9 . 1 1 3 3 ILE H H 3 8.815 8.815 8.503 0.312 17603 7477 1 9 . 1 1 4 4 PHE N N 4 121.992 121.992 118.793 3.199 17603 7478 1 9 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.192 -0.163 17603 7479 1 9 . 1 1 4 4 PHE C C 4 177.093 177.093 178.078 -0.985 17603 7480 1 9 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.278 -1.270 17603 7481 1 9 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.380 -0.220 17603 7482 1 9 . 1 1 4 4 PHE H H 4 7.336 7.336 8.040 -0.704 17603 7483 1 9 . 1 1 5 5 GLU N N 5 118.284 118.284 119.563 -1.279 17603 7484 1 9 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.908 -0.127 17603 7485 1 9 . 1 1 5 5 GLU C C 5 178.340 178.340 179.046 -0.706 17603 7486 1 9 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.168 -0.519 17603 7487 1 9 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.407 0.949 17603 7488 1 9 . 1 1 5 5 GLU H H 5 7.892 7.892 8.599 -0.707 17603 7489 1 9 . 1 1 6 6 MET N N 6 118.546 118.546 120.919 -2.373 17603 7490 1 9 . 1 1 6 6 MET HA H 6 3.314 3.314 3.794 -0.480 17603 7491 1 9 . 1 1 6 6 MET C C 6 177.078 177.078 178.045 -0.967 17603 7492 1 9 . 1 1 6 6 MET CA C 6 58.988 58.988 59.252 -0.264 17603 7493 1 9 . 1 1 6 6 MET CB C 6 34.498 34.498 32.601 1.897 17603 7494 1 9 . 1 1 6 6 MET H H 6 7.946 7.946 8.389 -0.443 17603 7495 1 9 . 1 1 7 7 LEU N N 7 116.516 116.516 118.280 -1.764 17603 7496 1 9 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.966 0.002 17603 7497 1 9 . 1 1 7 7 LEU C C 7 178.579 178.579 178.782 -0.203 17603 7498 1 9 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.446 0.159 17603 7499 1 9 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.293 0.601 17603 7500 1 9 . 1 1 7 7 LEU H H 7 7.969 7.969 8.223 -0.254 17603 7501 1 9 . 1 1 8 8 ARG N N 8 120.793 120.793 120.118 0.675 17603 7502 1 9 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.846 -0.287 17603 7503 1 9 . 1 1 8 8 ARG C C 8 180.018 180.018 178.762 1.256 17603 7504 1 9 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.326 1.920 17603 7505 1 9 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.247 0.272 17603 7506 1 9 . 1 1 8 8 ARG H H 8 8.161 8.161 8.125 0.036 17603 7507 1 9 . 1 1 9 9 ILE N N 9 120.805 120.805 118.532 2.273 17603 7508 1 9 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.781 -0.208 17603 7509 1 9 . 1 1 9 9 ILE C C 9 177.878 177.878 177.302 0.576 17603 7510 1 9 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.790 0.486 17603 7511 1 9 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.075 0.198 17603 7512 1 9 . 1 1 9 9 ILE H H 9 7.628 7.628 7.965 -0.337 17603 7513 1 9 . 1 1 10 10 ASP N N 10 118.172 118.172 117.812 0.360 17603 7514 1 9 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.620 -0.214 17603 7515 1 9 . 1 1 10 10 ASP C C 10 178.041 178.041 178.162 -0.121 17603 7516 1 9 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.903 1.391 17603 7517 1 9 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.134 0.737 17603 7518 1 9 . 1 1 10 10 ASP H H 10 7.999 7.999 7.994 0.005 17603 7519 1 9 . 1 1 11 11 GLU N N 11 115.562 115.562 115.810 -0.248 17603 7520 1 9 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.561 0.080 17603 7521 1 9 . 1 1 11 11 GLU C C 11 178.197 178.197 177.491 0.706 17603 7522 1 9 . 1 1 11 11 GLU CA C 11 56.104 56.104 55.929 0.175 17603 7523 1 9 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.198 -0.103 17603 7524 1 9 . 1 1 11 11 GLU H H 11 8.855 8.855 8.275 0.580 17603 7525 1 9 . 1 1 12 12 GLY N N 12 109.971 109.971 108.566 1.405 17603 7526 1 9 . 1 1 12 12 GLY C C 12 170.049 170.049 171.929 -1.880 17603 7527 1 9 . 1 1 12 12 GLY CA C 12 44.694 44.694 44.992 -0.298 17603 7528 1 9 . 1 1 12 12 GLY H H 12 7.550 7.550 7.937 -0.387 17603 7529 1 9 . 1 1 13 13 LEU N N 13 117.547 117.547 121.459 -3.912 17603 7530 1 9 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.033 -0.575 17603 7531 1 9 . 1 1 13 13 LEU C C 13 175.566 175.566 175.116 0.450 17603 7532 1 9 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.520 0.052 17603 7533 1 9 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.630 -0.763 17603 7534 1 9 . 1 1 13 13 LEU H H 13 7.755 7.755 8.210 -0.455 17603 7535 1 9 . 1 1 14 14 ARG N N 14 126.722 126.722 125.082 1.640 17603 7536 1 9 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.655 0.030 17603 7537 1 9 . 1 1 14 14 ARG C C 14 175.979 175.979 175.903 0.076 17603 7538 1 9 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.879 -0.616 17603 7539 1 9 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.431 0.387 17603 7540 1 9 . 1 1 14 14 ARG H H 14 8.214 8.214 8.227 -0.013 17603 7541 1 9 . 1 1 15 15 LEU N N 15 123.112 123.112 121.327 1.785 17603 7542 1 9 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.388 -0.043 17603 7543 1 9 . 1 1 15 15 LEU C C 15 173.808 173.808 176.047 -2.239 17603 7544 1 9 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.072 -0.299 17603 7545 1 9 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.308 -2.536 17603 7546 1 9 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 7547 1 9 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 7548 1 9 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.260 0.096 17603 7549 1 9 . 1 1 16 16 LYS C C 16 176.072 176.072 176.751 -0.679 17603 7550 1 9 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.201 -0.328 17603 7551 1 9 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.227 0.733 17603 7552 1 9 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 7553 1 9 . 1 1 17 17 ILE N N 17 120.916 120.916 126.321 -5.405 17603 7554 1 9 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.287 -0.179 17603 7555 1 9 . 1 1 17 17 ILE C C 17 174.826 174.826 176.487 -1.661 17603 7556 1 9 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.464 0.482 17603 7557 1 9 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.373 1.109 17603 7558 1 9 . 1 1 17 17 ILE H H 17 7.555 7.555 8.256 -0.701 17603 7559 1 9 . 1 1 18 18 TYR N N 18 128.021 128.021 125.975 2.046 17603 7560 1 9 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.113 -0.037 17603 7561 1 9 . 1 1 18 18 TYR C C 18 172.698 172.698 173.522 -0.824 17603 7562 1 9 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.291 0.315 17603 7563 1 9 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.907 0.607 17603 7564 1 9 . 1 1 18 18 TYR H H 18 9.340 9.340 9.086 0.254 17603 7565 1 9 . 1 1 19 19 LYS N N 19 122.578 122.578 120.908 1.670 17603 7566 1 9 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.548 -0.015 17603 7567 1 9 . 1 1 19 19 LYS C C 19 175.823 175.823 176.218 -0.395 17603 7568 1 9 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.001 0.105 17603 7569 1 9 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.868 0.352 17603 7570 1 9 . 1 1 19 19 LYS H H 19 8.260 8.260 8.411 -0.151 17603 7571 1 9 . 1 1 20 20 ASP N N 20 125.695 125.695 124.507 1.188 17603 7572 1 9 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.751 -0.160 17603 7573 1 9 . 1 1 20 20 ASP C C 20 178.065 178.065 178.266 -0.201 17603 7574 1 9 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.173 -0.389 17603 7575 1 9 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.578 -0.658 17603 7576 1 9 . 1 1 20 20 ASP H H 20 8.517 8.517 8.810 -0.293 17603 7577 1 9 . 1 1 21 21 THR N N 21 110.206 110.206 109.452 0.754 17603 7578 1 9 . 1 1 21 21 THR HA H 21 3.982 3.982 4.061 -0.079 17603 7579 1 9 . 1 1 21 21 THR C C 21 175.854 175.854 175.751 0.103 17603 7580 1 9 . 1 1 21 21 THR CA C 21 65.025 65.025 64.868 0.157 17603 7581 1 9 . 1 1 21 21 THR CB C 21 68.796 68.796 68.852 -0.056 17603 7582 1 9 . 1 1 21 21 THR H H 21 7.953 7.953 8.565 -0.612 17603 7583 1 9 . 1 1 22 22 GLU N N 22 120.359 120.359 120.108 0.251 17603 7584 1 9 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.232 -0.059 17603 7585 1 9 . 1 1 22 22 GLU C C 22 175.597 175.597 176.356 -0.759 17603 7586 1 9 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.589 0.709 17603 7587 1 9 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.732 0.621 17603 7588 1 9 . 1 1 22 22 GLU H H 22 8.013 8.013 8.060 -0.047 17603 7589 1 9 . 1 1 23 23 GLY N N 23 106.729 106.729 106.731 -0.002 17603 7590 1 9 . 1 1 23 23 GLY C C 23 173.526 173.526 174.048 -0.522 17603 7591 1 9 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.044 -0.077 17603 7592 1 9 . 1 1 23 23 GLY H H 23 7.841 7.841 7.803 0.038 17603 7593 1 9 . 1 1 24 24 TYR N N 24 120.577 120.577 119.505 1.072 17603 7594 1 9 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.508 0.367 17603 7595 1 9 . 1 1 24 24 TYR C C 24 177.535 177.535 175.781 1.754 17603 7596 1 9 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.457 -1.214 17603 7597 1 9 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.074 -0.773 17603 7598 1 9 . 1 1 24 24 TYR H H 24 8.116 8.116 8.060 0.056 17603 7599 1 9 . 1 1 25 25 TYR N N 25 122.385 122.385 123.184 -0.799 17603 7600 1 9 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.883 0.052 17603 7601 1 9 . 1 1 25 25 TYR C C 25 175.310 175.310 176.191 -0.881 17603 7602 1 9 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.003 -0.209 17603 7603 1 9 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.875 2.018 17603 7604 1 9 . 1 1 25 25 TYR H H 25 8.679 8.679 8.876 -0.197 17603 7605 1 9 . 1 1 26 26 THR N N 26 120.628 120.628 118.029 2.599 17603 7606 1 9 . 1 1 26 26 THR HA H 26 5.179 5.179 5.032 0.147 17603 7607 1 9 . 1 1 26 26 THR C C 26 180.259 180.259 172.596 7.663 17603 7608 1 9 . 1 1 26 26 THR CA C 26 61.015 61.015 61.262 -0.247 17603 7609 1 9 . 1 1 26 26 THR CB C 26 72.424 72.424 72.377 0.047 17603 7610 1 9 . 1 1 26 26 THR H H 26 9.362 9.362 9.058 0.304 17603 7611 1 9 . 1 1 27 27 ILE N N 27 120.468 120.468 120.662 -0.194 17603 7612 1 9 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.512 0.034 17603 7613 1 9 . 1 1 27 27 ILE C C 27 172.440 172.440 174.636 -2.196 17603 7614 1 9 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.794 0.713 17603 7615 1 9 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.031 1.152 17603 7616 1 9 . 1 1 27 27 ILE H H 27 8.814 8.814 8.504 0.310 17603 7617 1 9 . 1 1 28 28 GLY N N 28 112.172 112.172 112.808 -0.636 17603 7618 1 9 . 1 1 28 28 GLY C C 28 174.772 174.772 174.198 0.574 17603 7619 1 9 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.077 -0.080 17603 7620 1 9 . 1 1 28 28 GLY H H 28 8.553 8.553 8.801 -0.248 17603 7621 1 9 . 1 1 29 29 ILE N N 29 133.320 133.320 125.123 8.197 17603 7622 1 9 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.415 0.411 17603 7623 1 9 . 1 1 29 29 ILE C C 29 176.677 176.677 176.625 0.052 17603 7624 1 9 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.777 -1.565 17603 7625 1 9 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.722 -0.861 17603 7626 1 9 . 1 1 29 29 ILE H H 29 10.142 10.142 8.653 1.489 17603 7627 1 9 . 1 1 30 30 GLY N N 30 108.192 108.192 112.504 -4.312 17603 7628 1 9 . 1 1 30 30 GLY C C 30 173.131 173.131 174.267 -1.136 17603 7629 1 9 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.066 1.125 17603 7630 1 9 . 1 1 30 30 GLY H H 30 8.121 8.121 8.393 -0.272 17603 7631 1 9 . 1 1 31 31 HIS N N 31 115.740 115.740 120.033 -4.293 17603 7632 1 9 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.616 -0.315 17603 7633 1 9 . 1 1 31 31 HIS C C 31 173.495 173.495 174.509 -1.014 17603 7634 1 9 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.593 2.081 17603 7635 1 9 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.763 -2.192 17603 7636 1 9 . 1 1 31 31 HIS H H 31 8.266 8.266 8.373 -0.107 17603 7637 1 9 . 1 1 32 32 LEU N N 32 132.140 132.140 128.552 3.588 17603 7638 1 9 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.972 0.117 17603 7639 1 9 . 1 1 32 32 LEU C C 32 176.486 176.486 175.722 0.764 17603 7640 1 9 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.422 0.418 17603 7641 1 9 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.190 -0.256 17603 7642 1 9 . 1 1 32 32 LEU H H 32 7.873 7.873 8.078 -0.205 17603 7643 1 9 . 1 1 33 33 LEU N N 33 125.594 125.594 126.233 -0.639 17603 7644 1 9 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.340 0.096 17603 7645 1 9 . 1 1 33 33 LEU C C 33 176.139 176.139 177.121 -0.982 17603 7646 1 9 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.902 -0.220 17603 7647 1 9 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.079 0.370 17603 7648 1 9 . 1 1 33 33 LEU H H 33 9.060 9.060 8.762 0.298 17603 7649 1 9 . 1 1 34 34 THR N N 34 109.512 109.512 109.031 0.481 17603 7650 1 9 . 1 1 34 34 THR HA H 34 4.485 4.485 4.387 0.098 17603 7651 1 9 . 1 1 34 34 THR C C 34 171.666 171.666 172.300 -0.634 17603 7652 1 9 . 1 1 34 34 THR CA C 34 60.278 60.278 61.354 -1.076 17603 7653 1 9 . 1 1 34 34 THR CB C 34 67.479 67.479 71.446 -3.967 17603 7654 1 9 . 1 1 34 34 THR H H 34 7.266 7.266 7.371 -0.105 17603 7655 1 9 . 1 1 35 35 LYS N N 35 125.041 125.041 122.568 2.473 17603 7656 1 9 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.021 0.273 17603 7657 1 9 . 1 1 35 35 LYS C C 35 176.714 176.714 176.758 -0.044 17603 7658 1 9 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.906 0.449 17603 7659 1 9 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.283 0.103 17603 7660 1 9 . 1 1 35 35 LYS H H 35 8.556 8.556 8.279 0.277 17603 7661 1 9 . 1 1 36 36 SER N N 36 119.417 119.417 117.701 1.716 17603 7662 1 9 . 1 1 36 36 SER CA C 36 57.016 57.016 56.305 0.711 17603 7663 1 9 . 1 1 36 36 SER CB C 36 64.053 64.053 63.774 0.279 17603 7664 1 9 . 1 1 36 36 SER H H 36 8.671 8.671 7.815 0.856 17603 7665 1 9 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.578 0.256 17603 7666 1 9 . 1 1 37 37 PRO C C 37 177.182 177.182 176.805 0.377 17603 7667 1 9 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.432 0.285 17603 7668 1 9 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.940 -1.288 17603 7669 1 9 . 1 1 38 38 SER N N 38 116.310 116.310 116.096 0.214 17603 7670 1 9 . 1 1 38 38 SER HA H 38 4.703 4.703 4.569 0.134 17603 7671 1 9 . 1 1 38 38 SER C C 38 174.405 174.405 175.311 -0.906 17603 7672 1 9 . 1 1 38 38 SER CA C 38 56.494 56.494 56.685 -0.191 17603 7673 1 9 . 1 1 38 38 SER CB C 38 63.608 63.608 63.579 0.029 17603 7674 1 9 . 1 1 38 38 SER H H 38 8.189 8.189 7.749 0.440 17603 7675 1 9 . 1 1 39 39 LEU N N 39 132.784 132.784 130.482 2.302 17603 7676 1 9 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.348 0.007 17603 7677 1 9 . 1 1 39 39 LEU C C 39 178.441 178.441 177.567 0.874 17603 7678 1 9 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.142 0.116 17603 7679 1 9 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.847 -0.362 17603 7680 1 9 . 1 1 39 39 LEU H H 39 8.916 8.916 8.791 0.125 17603 7681 1 9 . 1 1 40 40 ASN N N 40 116.840 116.840 117.513 -0.673 17603 7682 1 9 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.340 -0.077 17603 7683 1 9 . 1 1 40 40 ASN C C 40 178.226 178.226 177.434 0.792 17603 7684 1 9 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.975 0.363 17603 7685 1 9 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.630 0.093 17603 7686 1 9 . 1 1 40 40 ASN H H 40 8.255 8.255 8.219 0.036 17603 7687 1 9 . 1 1 41 41 ALA N N 41 123.964 123.964 122.975 0.989 17603 7688 1 9 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.995 0.199 17603 7689 1 9 . 1 1 41 41 ALA C C 41 179.835 179.835 178.892 0.943 17603 7690 1 9 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.927 -0.059 17603 7691 1 9 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.353 -0.481 17603 7692 1 9 . 1 1 41 41 ALA H H 41 7.710 7.710 7.592 0.118 17603 7693 1 9 . 1 1 42 42 ALA N N 42 121.099 121.099 121.295 -0.196 17603 7694 1 9 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.871 -0.121 17603 7695 1 9 . 1 1 42 42 ALA C C 42 178.838 178.838 179.450 -0.612 17603 7696 1 9 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.101 0.432 17603 7697 1 9 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.079 0.497 17603 7698 1 9 . 1 1 42 42 ALA H H 42 7.571 7.571 7.855 -0.284 17603 7699 1 9 . 1 1 43 43 LYS N N 43 117.308 117.308 118.136 -0.828 17603 7700 1 9 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.891 -0.237 17603 7701 1 9 . 1 1 43 43 LYS C C 43 177.511 177.511 178.920 -1.409 17603 7702 1 9 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.714 0.945 17603 7703 1 9 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 7704 1 9 . 1 1 43 43 LYS H H 43 8.377 8.377 8.249 0.128 17603 7705 1 9 . 1 1 44 44 SER N N 44 114.066 114.066 115.250 -1.184 17603 7706 1 9 . 1 1 44 44 SER HA H 44 4.256 4.256 4.165 0.091 17603 7707 1 9 . 1 1 44 44 SER C C 44 177.894 177.894 176.607 1.287 17603 7708 1 9 . 1 1 44 44 SER CA C 44 61.764 61.764 61.394 0.370 17603 7709 1 9 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.169 17603 7710 1 9 . 1 1 44 44 SER H H 44 7.895 7.895 8.145 -0.250 17603 7711 1 9 . 1 1 45 45 GLU N N 45 120.349 120.349 121.229 -0.880 17603 7712 1 9 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.042 0.065 17603 7713 1 9 . 1 1 45 45 GLU C C 45 179.336 179.336 179.148 0.188 17603 7714 1 9 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.997 -0.571 17603 7715 1 9 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.326 0.022 17603 7716 1 9 . 1 1 45 45 GLU H H 45 7.988 7.988 7.879 0.109 17603 7717 1 9 . 1 1 46 46 LEU N N 46 122.887 122.887 122.337 0.550 17603 7718 1 9 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.061 -0.123 17603 7719 1 9 . 1 1 46 46 LEU C C 46 177.291 177.291 178.299 -1.008 17603 7720 1 9 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.188 -0.539 17603 7721 1 9 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.659 -0.043 17603 7722 1 9 . 1 1 46 46 LEU H H 46 8.286 8.286 8.317 -0.031 17603 7723 1 9 . 1 1 47 47 ASP N N 47 120.418 120.418 119.881 0.537 17603 7724 1 9 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.490 0.270 17603 7725 1 9 . 1 1 47 47 ASP C C 47 180.926 180.926 179.127 1.799 17603 7726 1 9 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.418 -0.100 17603 7727 1 9 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.252 -0.223 17603 7728 1 9 . 1 1 47 47 ASP H H 47 8.553 8.553 8.425 0.128 17603 7729 1 9 . 1 1 48 48 LYS N N 48 120.743 120.743 120.006 0.737 17603 7730 1 9 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.062 -0.059 17603 7731 1 9 . 1 1 48 48 LYS C C 48 178.198 178.198 178.304 -0.106 17603 7732 1 9 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.869 0.312 17603 7733 1 9 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.592 0.112 17603 7734 1 9 . 1 1 48 48 LYS H H 48 7.747 7.747 7.931 -0.184 17603 7735 1 9 . 1 1 49 49 ALA N N 49 121.258 121.258 121.929 -0.671 17603 7736 1 9 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.213 -0.057 17603 7737 1 9 . 1 1 49 49 ALA C C 49 179.386 179.386 179.198 0.188 17603 7738 1 9 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.550 -0.078 17603 7739 1 9 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.973 -0.739 17603 7740 1 9 . 1 1 49 49 ALA H H 49 7.925 7.925 7.966 -0.041 17603 7741 1 9 . 1 1 50 50 ILE N N 50 114.806 114.806 115.949 -1.143 17603 7742 1 9 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.053 0.025 17603 7743 1 9 . 1 1 50 50 ILE C C 50 177.205 177.205 177.210 -0.005 17603 7744 1 9 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.050 -1.948 17603 7745 1 9 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.428 -1.134 17603 7746 1 9 . 1 1 50 50 ILE H H 50 8.323 8.323 7.715 0.608 17603 7747 1 9 . 1 1 51 51 GLY N N 51 109.238 109.238 109.792 -0.554 17603 7748 1 9 . 1 1 51 51 GLY C C 51 173.771 173.771 173.778 -0.007 17603 7749 1 9 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.155 0.767 17603 7750 1 9 . 1 1 51 51 GLY H H 51 8.340 8.340 8.380 -0.040 17603 7751 1 9 . 1 1 52 52 ARG N N 52 115.526 115.526 116.554 -1.028 17603 7752 1 9 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.523 0.034 17603 7753 1 9 . 1 1 52 52 ARG C C 52 172.391 172.391 173.394 -1.003 17603 7754 1 9 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.815 0.265 17603 7755 1 9 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.307 -0.100 17603 7756 1 9 . 1 1 52 52 ARG H H 52 7.656 7.656 7.633 0.023 17603 7757 1 9 . 1 1 53 53 ASN N N 53 115.684 115.684 120.469 -4.785 17603 7758 1 9 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.948 -0.252 17603 7759 1 9 . 1 1 53 53 ASN C C 53 175.491 175.491 174.996 0.495 17603 7760 1 9 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.824 0.327 17603 7761 1 9 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.031 17603 7762 1 9 . 1 1 53 53 ASN H H 53 8.241 8.241 8.687 -0.446 17603 7763 1 9 . 1 1 54 54 THR N N 54 119.609 119.609 118.034 1.575 17603 7764 1 9 . 1 1 54 54 THR HA H 54 4.300 4.300 4.498 -0.198 17603 7765 1 9 . 1 1 54 54 THR C C 54 177.264 177.264 174.679 2.585 17603 7766 1 9 . 1 1 54 54 THR CA C 54 63.701 63.701 60.889 2.812 17603 7767 1 9 . 1 1 54 54 THR CB C 54 70.615 70.615 70.628 -0.013 17603 7768 1 9 . 1 1 54 54 THR H H 54 9.034 9.034 8.768 0.266 17603 7769 1 9 . 1 1 55 55 ASN N N 55 120.027 120.027 118.450 1.577 17603 7770 1 9 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.693 -0.309 17603 7771 1 9 . 1 1 55 55 ASN C C 55 175.774 175.774 175.673 0.101 17603 7772 1 9 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.034 2.392 17603 7773 1 9 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.717 -0.072 17603 7774 1 9 . 1 1 55 55 ASN H H 55 9.426 9.426 8.342 1.084 17603 7775 1 9 . 1 1 56 56 GLY N N 56 103.056 103.056 108.266 -5.210 17603 7776 1 9 . 1 1 56 56 GLY C C 56 172.072 172.072 172.905 -0.833 17603 7777 1 9 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.169 0.018 17603 7778 1 9 . 1 1 56 56 GLY H H 56 8.662 8.662 7.807 0.855 17603 7779 1 9 . 1 1 57 57 VAL N N 57 119.999 119.999 118.575 1.424 17603 7780 1 9 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.293 -0.164 17603 7781 1 9 . 1 1 57 57 VAL C C 57 174.971 174.971 174.887 0.084 17603 7782 1 9 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.692 1.329 17603 7783 1 9 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.643 0.528 17603 7784 1 9 . 1 1 57 57 VAL H H 57 7.444 7.444 7.424 0.020 17603 7785 1 9 . 1 1 58 58 ILE N N 58 116.746 116.746 121.364 -4.618 17603 7786 1 9 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.097 -0.251 17603 7787 1 9 . 1 1 58 58 ILE C C 58 175.376 175.376 175.217 0.159 17603 7788 1 9 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.917 0.722 17603 7789 1 9 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.932 -0.060 17603 7790 1 9 . 1 1 58 58 ILE H H 58 8.562 8.562 9.078 -0.515 17603 7791 1 9 . 1 1 59 59 THR N N 59 109.208 109.208 112.615 -3.407 17603 7792 1 9 . 1 1 59 59 THR HA H 59 4.632 4.632 4.663 -0.031 17603 7793 1 9 . 1 1 59 59 THR C C 59 176.431 176.431 174.816 1.615 17603 7794 1 9 . 1 1 59 59 THR CA C 59 59.899 59.899 60.188 -0.289 17603 7795 1 9 . 1 1 59 59 THR CB C 59 71.419 71.419 70.296 1.123 17603 7796 1 9 . 1 1 59 59 THR H H 59 8.682 8.682 9.059 -0.377 17603 7797 1 9 . 1 1 60 60 LYS N N 60 121.442 121.442 121.694 -0.252 17603 7798 1 9 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.960 -0.121 17603 7799 1 9 . 1 1 60 60 LYS C C 60 178.238 178.238 178.333 -0.095 17603 7800 1 9 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.465 0.298 17603 7801 1 9 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.267 -0.251 17603 7802 1 9 . 1 1 60 60 LYS H H 60 9.097 9.097 8.820 0.277 17603 7803 1 9 . 1 1 61 61 ASP N N 61 117.513 117.513 118.413 -0.900 17603 7804 1 9 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.410 -0.043 17603 7805 1 9 . 1 1 61 61 ASP C C 61 179.613 179.613 179.029 0.584 17603 7806 1 9 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.525 -0.170 17603 7807 1 9 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.179 0.342 17603 7808 1 9 . 1 1 61 61 ASP H H 61 8.234 8.234 8.535 -0.301 17603 7809 1 9 . 1 1 62 62 GLU N N 62 121.613 121.613 120.198 1.415 17603 7810 1 9 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.071 -0.182 17603 7811 1 9 . 1 1 62 62 GLU C C 62 178.900 178.900 178.833 0.067 17603 7812 1 9 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.117 -0.067 17603 7813 1 9 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.599 -0.116 17603 7814 1 9 . 1 1 62 62 GLU H H 62 7.725 7.725 7.907 -0.182 17603 7815 1 9 . 1 1 63 63 ALA N N 63 121.265 121.265 122.801 -1.536 17603 7816 1 9 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.966 -0.082 17603 7817 1 9 . 1 1 63 63 ALA C C 63 180.712 180.712 179.770 0.942 17603 7818 1 9 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.697 -0.595 17603 7819 1 9 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.405 0.086 17603 7820 1 9 . 1 1 63 63 ALA H H 63 8.500 8.500 8.403 0.097 17603 7821 1 9 . 1 1 64 64 GLU N N 64 120.135 120.135 118.221 1.914 17603 7822 1 9 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.190 -0.096 17603 7823 1 9 . 1 1 64 64 GLU C C 64 177.848 177.848 178.924 -1.076 17603 7824 1 9 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.421 0.336 17603 7825 1 9 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.633 -0.520 17603 7826 1 9 . 1 1 64 64 GLU H H 64 8.412 8.412 8.392 0.020 17603 7827 1 9 . 1 1 65 65 LYS N N 65 122.023 122.023 121.371 0.652 17603 7828 1 9 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.095 0.057 17603 7829 1 9 . 1 1 65 65 LYS C C 65 179.601 179.601 179.006 0.595 17603 7830 1 9 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.642 0.476 17603 7831 1 9 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.416 -0.096 17603 7832 1 9 . 1 1 65 65 LYS H H 65 7.853 7.853 8.010 -0.157 17603 7833 1 9 . 1 1 66 66 LEU N N 66 118.739 118.739 119.321 -0.582 17603 7834 1 9 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.920 0.013 17603 7835 1 9 . 1 1 66 66 LEU C C 66 177.920 177.920 179.106 -1.186 17603 7836 1 9 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.903 -0.401 17603 7837 1 9 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.616 0.764 17603 7838 1 9 . 1 1 66 66 LEU H H 66 7.822 7.822 8.110 -0.288 17603 7839 1 9 . 1 1 67 67 PHE N N 67 119.050 119.050 120.256 -1.206 17603 7840 1 9 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.295 0.900 17603 7841 1 9 . 1 1 67 67 PHE C C 67 177.421 177.421 177.565 -0.144 17603 7842 1 9 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.788 -0.855 17603 7843 1 9 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.935 1.040 17603 7844 1 9 . 1 1 67 67 PHE H H 67 8.075 8.075 8.473 -0.398 17603 7845 1 9 . 1 1 68 68 ASN N N 68 118.041 118.041 117.402 0.639 17603 7846 1 9 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.362 -0.113 17603 7847 1 9 . 1 1 68 68 ASN C C 68 178.777 178.777 177.569 1.208 17603 7848 1 9 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.538 0.520 17603 7849 1 9 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.594 -0.103 17603 7850 1 9 . 1 1 68 68 ASN H H 68 8.505 8.505 8.566 -0.061 17603 7851 1 9 . 1 1 69 69 GLN N N 69 118.812 118.812 119.165 -0.353 17603 7852 1 9 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.986 0.193 17603 7853 1 9 . 1 1 69 69 GLN C C 69 178.938 178.938 178.431 0.507 17603 7854 1 9 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.147 -0.258 17603 7855 1 9 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.695 -0.143 17603 7856 1 9 . 1 1 69 69 GLN H H 69 7.763 7.763 8.083 -0.320 17603 7857 1 9 . 1 1 70 70 ASP N N 70 123.281 123.281 120.932 2.349 17603 7858 1 9 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.434 0.065 17603 7859 1 9 . 1 1 70 70 ASP C C 70 180.101 180.101 178.984 1.117 17603 7860 1 9 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.357 -0.315 17603 7861 1 9 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.533 -0.094 17603 7862 1 9 . 1 1 70 70 ASP H H 70 8.757 8.757 8.461 0.296 17603 7863 1 9 . 1 1 71 71 VAL N N 71 125.532 125.532 120.761 4.771 17603 7864 1 9 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.506 0.090 17603 7865 1 9 . 1 1 71 71 VAL C C 71 177.160 177.160 177.552 -0.392 17603 7866 1 9 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.783 1.226 17603 7867 1 9 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.251 0.332 17603 7868 1 9 . 1 1 71 71 VAL H H 71 9.015 9.015 8.371 0.644 17603 7869 1 9 . 1 1 72 72 ASP N N 72 119.221 119.221 119.975 -0.754 17603 7870 1 9 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.242 0.120 17603 7871 1 9 . 1 1 72 72 ASP C C 72 178.561 178.561 178.177 0.384 17603 7872 1 9 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.306 0.017 17603 7873 1 9 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.081 1.002 17603 7874 1 9 . 1 1 72 72 ASP H H 72 7.599 7.599 8.142 -0.543 17603 7875 1 9 . 1 1 73 73 ALA N N 73 120.038 120.038 121.697 -1.659 17603 7876 1 9 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.025 -0.026 17603 7877 1 9 . 1 1 73 73 ALA C C 73 180.491 180.491 179.546 0.945 17603 7878 1 9 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.051 0.035 17603 7879 1 9 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.196 0.326 17603 7880 1 9 . 1 1 73 73 ALA H H 73 8.276 8.276 8.245 0.031 17603 7881 1 9 . 1 1 74 74 ALA N N 74 123.435 123.435 121.762 1.673 17603 7882 1 9 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.956 0.207 17603 7883 1 9 . 1 1 74 74 ALA C C 74 178.997 178.997 179.478 -0.481 17603 7884 1 9 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.848 -0.021 17603 7885 1 9 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.410 0.020 17603 7886 1 9 . 1 1 74 74 ALA H H 74 7.925 7.925 7.693 0.232 17603 7887 1 9 . 1 1 75 75 VAL N N 75 118.091 118.091 119.049 -0.958 17603 7888 1 9 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.258 -0.027 17603 7889 1 9 . 1 1 75 75 VAL C C 75 178.108 178.108 177.964 0.144 17603 7890 1 9 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.945 0.097 17603 7891 1 9 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.481 0.357 17603 7892 1 9 . 1 1 75 75 VAL H H 75 8.141 8.141 7.884 0.257 17603 7893 1 9 . 1 1 76 76 ARG N N 76 117.779 117.779 119.356 -1.577 17603 7894 1 9 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.889 -0.088 17603 7895 1 9 . 1 1 76 76 ARG C C 76 178.816 178.816 178.911 -0.095 17603 7896 1 9 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.965 -0.053 17603 7897 1 9 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.817 0.409 17603 7898 1 9 . 1 1 76 76 ARG H H 76 8.358 8.358 8.659 -0.300 17603 7899 1 9 . 1 1 77 77 GLY N N 77 105.669 105.669 107.251 -1.582 17603 7900 1 9 . 1 1 77 77 GLY C C 77 176.097 176.097 175.772 0.325 17603 7901 1 9 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.718 -0.044 17603 7902 1 9 . 1 1 77 77 GLY H H 77 7.999 7.999 8.111 -0.112 17603 7903 1 9 . 1 1 78 78 ILE N N 78 122.001 122.001 122.042 -0.041 17603 7904 1 9 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.687 -0.044 17603 7905 1 9 . 1 1 78 78 ILE C C 78 177.194 177.194 178.266 -1.072 17603 7906 1 9 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.719 0.503 17603 7907 1 9 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.876 0.087 17603 7908 1 9 . 1 1 78 78 ILE H H 78 7.579 7.579 7.733 -0.154 17603 7909 1 9 . 1 1 79 79 LEU N N 79 115.459 115.459 117.795 -2.336 17603 7910 1 9 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.020 -0.260 17603 7911 1 9 . 1 1 79 79 LEU C C 79 178.673 178.673 178.115 0.558 17603 7912 1 9 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.949 0.268 17603 7913 1 9 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.623 -0.179 17603 7914 1 9 . 1 1 79 79 LEU H H 79 7.929 7.929 8.031 -0.102 17603 7915 1 9 . 1 1 80 80 ARG N N 80 114.830 114.830 114.610 0.220 17603 7916 1 9 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.313 -0.057 17603 7917 1 9 . 1 1 80 80 ARG C C 80 175.076 175.076 175.792 -0.716 17603 7918 1 9 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.145 -0.116 17603 7919 1 9 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.603 -0.228 17603 7920 1 9 . 1 1 80 80 ARG H H 80 7.680 7.680 7.642 0.038 17603 7921 1 9 . 1 1 81 81 ASN N N 81 120.935 120.935 118.734 2.201 17603 7922 1 9 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.797 -0.038 17603 7923 1 9 . 1 1 81 81 ASN C C 81 174.612 174.612 175.221 -0.609 17603 7924 1 9 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.304 0.210 17603 7925 1 9 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.314 -0.515 17603 7926 1 9 . 1 1 81 81 ASN H H 81 7.516 7.516 7.508 0.008 17603 7927 1 9 . 1 1 82 82 ALA N N 82 128.007 128.007 129.627 -1.620 17603 7928 1 9 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.172 -0.100 17603 7929 1 9 . 1 1 82 82 ALA C C 82 178.837 178.837 178.566 0.271 17603 7930 1 9 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.561 0.324 17603 7931 1 9 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.831 0.146 17603 7932 1 9 . 1 1 82 82 ALA H H 82 8.784 8.784 8.974 -0.190 17603 7933 1 9 . 1 1 83 83 LYS N N 83 114.232 114.232 117.374 -3.142 17603 7934 1 9 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.243 -0.012 17603 7935 1 9 . 1 1 83 83 LYS C C 83 177.362 177.362 178.639 -1.277 17603 7936 1 9 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.560 -0.995 17603 7937 1 9 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.979 -0.176 17603 7938 1 9 . 1 1 83 83 LYS H H 83 8.075 8.075 8.261 -0.186 17603 7939 1 9 . 1 1 84 84 LEU N N 84 115.899 115.899 120.338 -4.439 17603 7940 1 9 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.208 -0.029 17603 7941 1 9 . 1 1 84 84 LEU C C 84 178.322 178.322 178.269 0.053 17603 7942 1 9 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.237 -0.606 17603 7943 1 9 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.103 0.830 17603 7944 1 9 . 1 1 84 84 LEU H H 84 7.422 7.422 8.432 -1.010 17603 7945 1 9 . 1 1 85 85 LYS N N 85 120.723 120.723 120.633 0.090 17603 7946 1 9 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.013 0.523 17603 7947 1 9 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.497 -0.534 17603 7948 1 9 . 1 1 85 85 LYS H H 85 8.407 8.407 8.402 0.005 17603 7949 1 9 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.328 0.133 17603 7950 1 9 . 1 1 86 86 PRO C C 86 180.075 180.075 179.205 0.870 17603 7951 1 9 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.824 0.020 17603 7952 1 9 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.133 -0.326 17603 7953 1 9 . 1 1 87 87 VAL N N 87 116.002 116.002 118.698 -2.696 17603 7954 1 9 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.763 0.027 17603 7955 1 9 . 1 1 87 87 VAL C C 87 178.477 178.477 178.284 0.193 17603 7956 1 9 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.297 -0.864 17603 7957 1 9 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.777 -0.281 17603 7958 1 9 . 1 1 87 87 VAL H H 87 6.903 6.903 7.289 -0.386 17603 7959 1 9 . 1 1 88 88 TYR N N 88 123.146 123.146 121.252 1.894 17603 7960 1 9 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.138 -0.201 17603 7961 1 9 . 1 1 88 88 TYR C C 88 177.346 177.346 178.195 -0.849 17603 7962 1 9 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.992 1.020 17603 7963 1 9 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.414 1.281 17603 7964 1 9 . 1 1 88 88 TYR H H 88 8.454 8.454 8.710 -0.256 17603 7965 1 9 . 1 1 89 89 ASP N N 89 117.059 117.059 117.636 -0.577 17603 7966 1 9 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.361 -0.053 17603 7967 1 9 . 1 1 89 89 ASP C C 89 178.136 178.136 178.456 -0.320 17603 7968 1 9 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.285 -0.660 17603 7969 1 9 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.152 0.434 17603 7970 1 9 . 1 1 89 89 ASP H H 89 9.057 9.057 8.929 0.128 17603 7971 1 9 . 1 1 90 90 SER N N 90 113.398 113.398 114.109 -0.711 17603 7972 1 9 . 1 1 90 90 SER HA H 90 4.435 4.435 4.339 0.096 17603 7973 1 9 . 1 1 90 90 SER C C 90 174.464 174.464 175.019 -0.555 17603 7974 1 9 . 1 1 90 90 SER CA C 90 59.549 59.549 59.561 -0.012 17603 7975 1 9 . 1 1 90 90 SER CB C 90 64.598 64.598 63.444 1.154 17603 7976 1 9 . 1 1 90 90 SER H H 90 7.385 7.385 7.646 -0.261 17603 7977 1 9 . 1 1 91 91 LEU N N 91 123.580 123.580 123.677 -0.097 17603 7978 1 9 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.513 -0.100 17603 7979 1 9 . 1 1 91 91 LEU C C 91 176.375 176.375 176.819 -0.444 17603 7980 1 9 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.008 1.062 17603 7981 1 9 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.130 -0.320 17603 7982 1 9 . 1 1 91 91 LEU H H 91 7.477 7.477 7.358 0.119 17603 7983 1 9 . 1 1 92 92 ASP N N 92 116.218 116.218 122.039 -5.821 17603 7984 1 9 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.482 0.084 17603 7985 1 9 . 1 1 92 92 ASP C C 92 175.360 175.360 176.722 -1.362 17603 7986 1 9 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.968 -1.381 17603 7987 1 9 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.152 0.688 17603 7988 1 9 . 1 1 92 92 ASP H H 92 7.440 7.440 8.461 -1.021 17603 7989 1 9 . 1 1 93 93 ALA N N 93 119.801 119.801 122.084 -2.283 17603 7990 1 9 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.046 -0.306 17603 7991 1 9 . 1 1 93 93 ALA C C 93 179.894 179.894 179.753 0.141 17603 7992 1 9 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.816 1.413 17603 7993 1 9 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.860 0.449 17603 7994 1 9 . 1 1 93 93 ALA H H 93 8.682 8.682 8.540 0.142 17603 7995 1 9 . 1 1 94 94 VAL N N 94 118.735 118.735 118.199 0.536 17603 7996 1 9 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.235 -0.207 17603 7997 1 9 . 1 1 94 94 VAL C C 94 177.116 177.116 177.857 -0.741 17603 7998 1 9 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.785 -0.067 17603 7999 1 9 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.142 -0.202 17603 8000 1 9 . 1 1 94 94 VAL H H 94 7.580 7.580 7.587 -0.007 17603 8001 1 9 . 1 1 95 95 ARG N N 95 119.108 119.108 118.652 0.456 17603 8002 1 9 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.645 -0.365 17603 8003 1 9 . 1 1 95 95 ARG C C 95 178.366 178.366 178.746 -0.380 17603 8004 1 9 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.409 1.005 17603 8005 1 9 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.996 0.427 17603 8006 1 9 . 1 1 95 95 ARG H H 95 7.729 7.729 8.108 -0.379 17603 8007 1 9 . 1 1 96 96 ARG N N 96 118.307 118.307 119.593 -1.286 17603 8008 1 9 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.994 -0.340 17603 8009 1 9 . 1 1 96 96 ARG C C 96 177.841 177.841 178.403 -0.562 17603 8010 1 9 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.406 1.252 17603 8011 1 9 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.698 0.812 17603 8012 1 9 . 1 1 96 96 ARG H H 96 8.638 8.638 8.402 0.236 17603 8013 1 9 . 1 1 97 97 ALA N N 97 120.196 120.196 121.298 -1.102 17603 8014 1 9 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.012 -0.025 17603 8015 1 9 . 1 1 97 97 ALA C C 97 178.768 178.768 178.962 -0.194 17603 8016 1 9 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.067 0.167 17603 8017 1 9 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.251 0.003 17603 8018 1 9 . 1 1 97 97 ALA H H 97 7.019 7.019 7.448 -0.429 17603 8019 1 9 . 1 1 98 98 ALA N N 98 119.143 119.143 121.067 -1.924 17603 8020 1 9 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.776 -0.204 17603 8021 1 9 . 1 1 98 98 ALA C C 98 177.328 177.328 179.141 -1.813 17603 8022 1 9 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.511 0.926 17603 8023 1 9 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.529 -1.636 17603 8024 1 9 . 1 1 98 98 ALA H H 98 7.097 7.097 7.208 -0.111 17603 8025 1 9 . 1 1 99 99 ALA N N 99 119.971 119.971 121.677 -1.706 17603 8026 1 9 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.015 -0.419 17603 8027 1 9 . 1 1 99 99 ALA C C 99 178.026 178.026 179.729 -1.703 17603 8028 1 9 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.081 0.302 17603 8029 1 9 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.624 -0.207 17603 8030 1 9 . 1 1 99 99 ALA H H 99 7.665 7.665 7.686 -0.021 17603 8031 1 9 . 1 1 100 100 ILE N N 100 116.372 116.372 117.803 -1.431 17603 8032 1 9 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.560 -0.228 17603 8033 1 9 . 1 1 100 100 ILE C C 100 177.103 177.103 177.912 -0.809 17603 8034 1 9 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.361 -0.702 17603 8035 1 9 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.664 -0.653 17603 8036 1 9 . 1 1 100 100 ILE H H 100 8.110 8.110 8.331 -0.221 17603 8037 1 9 . 1 1 101 101 ASN N N 101 116.550 116.550 118.977 -2.427 17603 8038 1 9 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.568 -0.681 17603 8039 1 9 . 1 1 101 101 ASN C C 101 177.350 177.350 177.068 0.282 17603 8040 1 9 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.765 1.331 17603 8041 1 9 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.543 0.379 17603 8042 1 9 . 1 1 101 101 ASN H H 101 8.098 8.098 7.832 0.266 17603 8043 1 9 . 1 1 102 102 MET N N 102 114.177 114.177 115.642 -1.465 17603 8044 1 9 . 1 1 102 102 MET HA H 102 3.746 3.746 4.096 -0.350 17603 8045 1 9 . 1 1 102 102 MET C C 102 177.507 177.507 176.594 0.913 17603 8046 1 9 . 1 1 102 102 MET CA C 102 60.473 60.473 56.316 4.157 17603 8047 1 9 . 1 1 102 102 MET CB C 102 33.218 33.218 31.979 1.239 17603 8048 1 9 . 1 1 102 102 MET H H 102 7.647 7.647 7.924 -0.277 17603 8049 1 9 . 1 1 103 103 VAL N N 103 107.836 107.836 115.257 -7.421 17603 8050 1 9 . 1 1 103 103 VAL HA H 103 4.198 4.198 3.985 0.213 17603 8051 1 9 . 1 1 103 103 VAL C C 103 175.893 175.893 176.175 -0.282 17603 8052 1 9 . 1 1 103 103 VAL CA C 103 60.939 60.939 62.176 -1.237 17603 8053 1 9 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.978 -1.880 17603 8054 1 9 . 1 1 103 103 VAL H H 103 7.332 7.332 7.225 0.107 17603 8055 1 9 . 1 1 104 104 PHE N N 104 125.985 125.985 124.004 1.981 17603 8056 1 9 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.212 -0.105 17603 8057 1 9 . 1 1 104 104 PHE C C 104 176.884 176.884 174.773 2.111 17603 8058 1 9 . 1 1 104 104 PHE CA C 104 60.915 60.915 59.647 1.268 17603 8059 1 9 . 1 1 104 104 PHE CB C 104 39.768 39.768 38.532 1.236 17603 8060 1 9 . 1 1 104 104 PHE H H 104 7.978 7.978 7.958 0.020 17603 8061 1 9 . 1 1 105 105 GLN N N 105 120.302 120.302 120.016 0.286 17603 8062 1 9 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.746 -0.236 17603 8063 1 9 . 1 1 105 105 GLN C C 105 174.976 174.976 174.702 0.274 17603 8064 1 9 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.434 1.296 17603 8065 1 9 . 1 1 105 105 GLN CB C 105 27.304 27.304 25.714 1.590 17603 8066 1 9 . 1 1 105 105 GLN H H 105 8.448 8.448 8.315 0.133 17603 8067 1 9 . 1 1 106 106 MET N N 106 117.189 117.189 119.736 -2.547 17603 8068 1 9 . 1 1 106 106 MET HA H 106 4.184 4.184 4.414 -0.230 17603 8069 1 9 . 1 1 106 106 MET C C 106 176.961 176.961 176.197 0.764 17603 8070 1 9 . 1 1 106 106 MET CA C 106 54.873 54.873 55.162 -0.289 17603 8071 1 9 . 1 1 106 106 MET CB C 106 30.057 30.057 33.044 -2.987 17603 8072 1 9 . 1 1 106 106 MET H H 106 8.987 8.987 7.412 1.575 17603 8073 1 9 . 1 1 107 107 GLY N N 107 107.787 107.787 112.337 -4.550 17603 8074 1 9 . 1 1 107 107 GLY C C 107 174.999 174.999 174.687 0.312 17603 8075 1 9 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.417 1.802 17603 8076 1 9 . 1 1 107 107 GLY H H 107 7.777 7.777 8.133 -0.356 17603 8077 1 9 . 1 1 108 108 GLU N N 108 123.604 123.604 119.809 3.795 17603 8078 1 9 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.103 -0.119 17603 8079 1 9 . 1 1 108 108 GLU C C 108 179.574 179.574 178.828 0.746 17603 8080 1 9 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.762 0.182 17603 8081 1 9 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.838 0.101 17603 8082 1 9 . 1 1 108 108 GLU H H 108 8.779 8.779 8.765 0.014 17603 8083 1 9 . 1 1 109 109 THR N N 109 111.822 111.822 115.690 -3.868 17603 8084 1 9 . 1 1 109 109 THR HA H 109 4.176 4.176 4.169 0.007 17603 8085 1 9 . 1 1 109 109 THR C C 109 178.459 178.459 176.700 1.759 17603 8086 1 9 . 1 1 109 109 THR CA C 109 65.535 65.535 67.660 -2.125 17603 8087 1 9 . 1 1 109 109 THR CB C 109 67.945 67.945 68.314 -0.369 17603 8088 1 9 . 1 1 109 109 THR H H 109 8.576 8.576 8.351 0.225 17603 8089 1 9 . 1 1 110 110 GLY N N 110 115.113 115.113 110.030 5.083 17603 8090 1 9 . 1 1 110 110 GLY C C 110 175.653 175.653 176.075 -0.422 17603 8091 1 9 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.820 0.397 17603 8092 1 9 . 1 1 110 110 GLY H H 110 8.521 8.521 8.408 0.113 17603 8093 1 9 . 1 1 111 111 VAL N N 111 120.852 120.852 123.121 -2.269 17603 8094 1 9 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.624 -0.103 17603 8095 1 9 . 1 1 111 111 VAL C C 111 179.689 179.689 178.008 1.681 17603 8096 1 9 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.133 0.921 17603 8097 1 9 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.784 0.048 17603 8098 1 9 . 1 1 111 111 VAL H H 111 8.048 8.048 7.533 0.515 17603 8099 1 9 . 1 1 112 112 ALA N N 112 124.525 124.525 122.018 2.507 17603 8100 1 9 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.029 0.113 17603 8101 1 9 . 1 1 112 112 ALA C C 112 179.412 179.412 179.431 -0.019 17603 8102 1 9 . 1 1 112 112 ALA CA C 112 55.423 55.423 54.955 0.469 17603 8103 1 9 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.202 0.056 17603 8104 1 9 . 1 1 112 112 ALA H H 112 8.255 8.255 8.199 0.056 17603 8105 1 9 . 1 1 113 113 ALA N N 113 120.490 120.490 121.986 -1.496 17603 8106 1 9 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.097 0.085 17603 8107 1 9 . 1 1 113 113 ALA C C 113 179.965 179.965 179.859 0.106 17603 8108 1 9 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.813 0.157 17603 8109 1 9 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.549 -0.486 17603 8110 1 9 . 1 1 113 113 ALA H H 113 7.861 7.861 8.198 -0.337 17603 8111 1 9 . 1 1 114 114 PHE N N 114 120.157 120.157 119.703 0.454 17603 8112 1 9 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.307 -0.250 17603 8113 1 9 . 1 1 114 114 PHE C C 114 177.765 177.765 177.862 -0.097 17603 8114 1 9 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.126 -0.193 17603 8115 1 9 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.992 0.132 17603 8116 1 9 . 1 1 114 114 PHE H H 114 8.126 8.126 8.442 -0.316 17603 8117 1 9 . 1 1 115 115 THR N N 115 114.478 114.478 115.211 -0.733 17603 8118 1 9 . 1 1 115 115 THR HA H 115 3.470 3.470 3.847 -0.377 17603 8119 1 9 . 1 1 115 115 THR C C 115 176.924 176.924 176.692 0.232 17603 8120 1 9 . 1 1 115 115 THR CA C 115 67.000 67.000 66.808 0.191 17603 8121 1 9 . 1 1 115 115 THR CB C 115 68.320 68.320 68.356 -0.036 17603 8122 1 9 . 1 1 115 115 THR H H 115 8.504 8.504 8.399 0.105 17603 8123 1 9 . 1 1 116 116 ASN N N 116 119.632 119.632 118.504 1.128 17603 8124 1 9 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.609 -0.109 17603 8125 1 9 . 1 1 116 116 ASN C C 116 176.009 176.009 175.974 0.035 17603 8126 1 9 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.164 2.079 17603 8127 1 9 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.356 0.244 17603 8128 1 9 . 1 1 116 116 ASN H H 116 8.337 8.337 7.814 0.523 17603 8129 1 9 . 1 1 117 117 SER N N 117 112.765 112.765 113.234 -0.469 17603 8130 1 9 . 1 1 117 117 SER HA H 117 4.590 4.590 4.506 0.084 17603 8131 1 9 . 1 1 117 117 SER C C 117 174.808 174.808 174.919 -0.111 17603 8132 1 9 . 1 1 117 117 SER CA C 117 59.470 59.470 58.727 0.743 17603 8133 1 9 . 1 1 117 117 SER CB C 117 64.474 64.474 64.339 0.135 17603 8134 1 9 . 1 1 117 117 SER H H 117 7.424 7.424 7.595 -0.171 17603 8135 1 9 . 1 1 118 118 LEU N N 118 122.210 122.210 123.830 -1.620 17603 8136 1 9 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.205 0.445 17603 8137 1 9 . 1 1 118 118 LEU H H 118 7.195 7.195 7.006 0.189 17603 8138 1 9 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.175 0.107 17603 8139 1 9 . 1 1 119 119 PRO C C 119 179.207 179.207 178.616 0.591 17603 8140 1 9 . 1 1 119 119 PRO CA C 119 66.239 66.239 65.940 0.299 17603 8141 1 9 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.385 -0.415 17603 8142 1 9 . 1 1 120 120 MET N N 120 112.465 112.465 115.623 -3.158 17603 8143 1 9 . 1 1 120 120 MET HA H 120 4.005 4.005 4.208 -0.203 17603 8144 1 9 . 1 1 120 120 MET C C 120 178.137 178.137 178.383 -0.246 17603 8145 1 9 . 1 1 120 120 MET CA C 120 58.747 58.747 57.411 1.336 17603 8146 1 9 . 1 1 120 120 MET CB C 120 32.510 32.510 31.451 1.060 17603 8147 1 9 . 1 1 120 120 MET H H 120 7.126 7.126 7.799 -0.673 17603 8148 1 9 . 1 1 121 121 LEU N N 121 118.534 118.534 120.290 -1.756 17603 8149 1 9 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.903 -0.062 17603 8150 1 9 . 1 1 121 121 LEU C C 121 180.140 180.140 179.757 0.383 17603 8151 1 9 . 1 1 121 121 LEU CA C 121 57.379 57.379 58.037 -0.658 17603 8152 1 9 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.204 0.933 17603 8153 1 9 . 1 1 121 121 LEU H H 121 7.695 7.695 8.083 -0.388 17603 8154 1 9 . 1 1 122 122 GLN N N 122 119.537 119.537 119.093 0.444 17603 8155 1 9 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.022 -0.160 17603 8156 1 9 . 1 1 122 122 GLN C C 122 176.722 176.722 177.746 -1.024 17603 8157 1 9 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.212 0.628 17603 8158 1 9 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.755 0.036 17603 8159 1 9 . 1 1 122 122 GLN H H 122 8.845 8.845 8.357 0.488 17603 8160 1 9 . 1 1 123 123 GLN N N 123 113.333 113.333 115.610 -2.277 17603 8161 1 9 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.199 -0.045 17603 8162 1 9 . 1 1 123 123 GLN C C 123 174.075 174.075 175.070 -0.995 17603 8163 1 9 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.540 -0.531 17603 8164 1 9 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.901 0.833 17603 8165 1 9 . 1 1 123 123 GLN H H 123 6.862 6.862 7.370 -0.508 17603 8166 1 9 . 1 1 124 124 LYS N N 124 114.431 114.431 114.545 -0.114 17603 8167 1 9 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.264 2.192 17603 8168 1 9 . 1 1 124 124 LYS C C 124 174.727 174.727 175.129 -0.402 17603 8169 1 9 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.400 0.049 17603 8170 1 9 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.821 -0.438 17603 8171 1 9 . 1 1 124 124 LYS H H 124 7.238 7.238 7.371 -0.133 17603 8172 1 9 . 1 1 125 125 ARG N N 125 119.411 119.411 118.721 0.690 17603 8173 1 9 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.178 0.082 17603 8174 1 9 . 1 1 125 125 ARG C C 125 177.251 177.251 176.351 0.900 17603 8175 1 9 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.556 -0.983 17603 8176 1 9 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.604 -0.393 17603 8177 1 9 . 1 1 125 125 ARG H H 125 7.651 7.651 7.838 -0.187 17603 8178 1 9 . 1 1 126 126 TRP N N 126 119.823 119.823 123.550 -3.727 17603 8179 1 9 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.257 0.065 17603 8180 1 9 . 1 1 126 126 TRP C C 126 178.830 178.830 177.724 1.106 17603 8181 1 9 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.452 -1.628 17603 8182 1 9 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.304 2.157 17603 8183 1 9 . 1 1 126 126 TRP H H 126 6.865 6.865 7.446 -0.581 17603 8184 1 9 . 1 1 127 127 ASP N N 127 116.894 116.894 117.651 -0.757 17603 8185 1 9 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.406 -0.006 17603 8186 1 9 . 1 1 127 127 ASP C C 127 178.748 178.748 178.528 0.220 17603 8187 1 9 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.992 -0.307 17603 8188 1 9 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.880 0.167 17603 8189 1 9 . 1 1 127 127 ASP H H 127 8.598 8.598 8.865 -0.267 17603 8190 1 9 . 1 1 128 128 GLU N N 128 120.788 120.788 120.293 0.495 17603 8191 1 9 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.023 -0.049 17603 8192 1 9 . 1 1 128 128 GLU C C 128 180.057 180.057 178.243 1.814 17603 8193 1 9 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.067 0.459 17603 8194 1 9 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.780 1.091 17603 8195 1 9 . 1 1 128 128 GLU H H 128 8.191 8.191 8.386 -0.195 17603 8196 1 9 . 1 1 129 129 ALA N N 129 122.103 122.103 122.321 -0.218 17603 8197 1 9 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.910 0.060 17603 8198 1 9 . 1 1 129 129 ALA C C 129 178.495 178.495 179.324 -0.829 17603 8199 1 9 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.251 -0.208 17603 8200 1 9 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.206 -0.435 17603 8201 1 9 . 1 1 129 129 ALA H H 129 8.587 8.587 8.572 0.015 17603 8202 1 9 . 1 1 130 130 ALA N N 130 119.336 119.336 121.257 -1.921 17603 8203 1 9 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.968 0.075 17603 8204 1 9 . 1 1 130 130 ALA C C 130 179.804 179.804 179.604 0.200 17603 8205 1 9 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.194 0.624 17603 8206 1 9 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.481 0.415 17603 8207 1 9 . 1 1 130 130 ALA H H 130 8.235 8.235 8.080 0.155 17603 8208 1 9 . 1 1 131 131 VAL N N 131 118.685 118.685 119.012 -0.327 17603 8209 1 9 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.403 0.176 17603 8210 1 9 . 1 1 131 131 VAL C C 131 178.078 178.078 178.144 -0.066 17603 8211 1 9 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.895 -0.576 17603 8212 1 9 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.411 0.724 17603 8213 1 9 . 1 1 131 131 VAL H H 131 7.697 7.697 8.258 -0.561 17603 8214 1 9 . 1 1 132 132 ASN N N 132 118.648 118.648 118.719 -0.071 17603 8215 1 9 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.434 -0.173 17603 8216 1 9 . 1 1 132 132 ASN C C 132 178.965 178.965 178.155 0.810 17603 8217 1 9 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.269 0.903 17603 8218 1 9 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.006 1.792 17603 8219 1 9 . 1 1 132 132 ASN H H 132 7.569 7.569 8.149 -0.580 17603 8220 1 9 . 1 1 133 133 LEU N N 133 120.750 120.750 120.558 0.192 17603 8221 1 9 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.333 -0.107 17603 8222 1 9 . 1 1 133 133 LEU C C 133 179.956 179.956 179.686 0.270 17603 8223 1 9 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.796 0.281 17603 8224 1 9 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.013 2.000 17603 8225 1 9 . 1 1 133 133 LEU H H 133 8.903 8.903 8.079 0.824 17603 8226 1 9 . 1 1 134 134 ALA N N 134 121.339 121.339 121.576 -0.237 17603 8227 1 9 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.645 0.007 17603 8228 1 9 . 1 1 134 134 ALA C C 134 176.582 176.582 178.582 -2.000 17603 8229 1 9 . 1 1 134 134 ALA CA C 134 53.195 53.195 54.489 -1.294 17603 8230 1 9 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.273 -0.737 17603 8231 1 9 . 1 1 134 134 ALA H H 134 7.681 7.681 8.041 -0.360 17603 8232 1 9 . 1 1 135 135 LYS N N 135 116.197 116.197 115.458 0.739 17603 8233 1 9 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.352 0.018 17603 8234 1 9 . 1 1 135 135 LYS C C 135 176.573 176.573 176.553 0.020 17603 8235 1 9 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.488 0.076 17603 8236 1 9 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.246 0.450 17603 8237 1 9 . 1 1 135 135 LYS H H 135 7.168 7.168 7.933 -0.765 17603 8238 1 9 . 1 1 136 136 SER N N 136 115.115 115.115 115.915 -0.800 17603 8239 1 9 . 1 1 136 136 SER HA H 136 4.503 4.503 4.628 -0.125 17603 8240 1 9 . 1 1 136 136 SER C C 136 174.968 174.968 175.559 -0.591 17603 8241 1 9 . 1 1 136 136 SER CA C 136 58.565 58.565 57.797 0.768 17603 8242 1 9 . 1 1 136 136 SER CB C 136 66.690 66.690 64.761 1.929 17603 8243 1 9 . 1 1 136 136 SER H H 136 7.546 7.546 7.843 -0.297 17603 8244 1 9 . 1 1 137 137 ARG N N 137 122.827 122.827 123.595 -0.768 17603 8245 1 9 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.154 0.043 17603 8246 1 9 . 1 1 137 137 ARG C C 137 178.570 178.570 177.906 0.664 17603 8247 1 9 . 1 1 137 137 ARG CA C 137 59.338 59.338 60.280 -0.942 17603 8248 1 9 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.311 -0.519 17603 8249 1 9 . 1 1 137 137 ARG H H 137 8.786 8.786 9.000 -0.214 17603 8250 1 9 . 1 1 138 138 TRP N N 138 119.297 119.297 121.209 -1.912 17603 8251 1 9 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.440 -0.362 17603 8252 1 9 . 1 1 138 138 TRP C C 138 176.101 176.101 177.616 -1.515 17603 8253 1 9 . 1 1 138 138 TRP CA C 138 61.807 61.807 59.437 2.370 17603 8254 1 9 . 1 1 138 138 TRP CB C 138 28.775 28.775 28.965 -0.191 17603 8255 1 9 . 1 1 138 138 TRP H H 138 8.256 8.256 8.329 -0.073 17603 8256 1 9 . 1 1 139 139 TYR N N 139 117.950 117.950 120.177 -2.227 17603 8257 1 9 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.805 -0.689 17603 8258 1 9 . 1 1 139 139 TYR C C 139 175.615 175.615 177.586 -1.971 17603 8259 1 9 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.642 -0.841 17603 8260 1 9 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.379 0.437 17603 8261 1 9 . 1 1 139 139 TYR H H 139 7.786 7.786 7.750 0.036 17603 8262 1 9 . 1 1 140 140 ASN N N 140 111.511 111.511 116.660 -5.149 17603 8263 1 9 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.408 -0.157 17603 8264 1 9 . 1 1 140 140 ASN C C 140 176.804 176.804 177.345 -0.541 17603 8265 1 9 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.422 -0.063 17603 8266 1 9 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.000 1.590 17603 8267 1 9 . 1 1 140 140 ASN H H 140 7.115 7.115 7.680 -0.565 17603 8268 1 9 . 1 1 141 141 GLN N N 141 117.466 117.466 117.766 -0.300 17603 8269 1 9 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.113 -0.000 17603 8270 1 9 . 1 1 141 141 GLN CA C 141 57.729 57.729 58.270 -0.541 17603 8271 1 9 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.802 -0.155 17603 8272 1 9 . 1 1 141 141 GLN H H 141 7.855 7.855 8.003 -0.148 17603 8273 1 9 . 1 1 142 142 THR N N 142 110.630 110.630 109.252 1.378 17603 8274 1 9 . 1 1 142 142 THR CA C 142 56.326 56.326 59.139 -2.813 17603 8275 1 9 . 1 1 142 142 THR CB C 142 69.490 69.490 69.161 0.329 17603 8276 1 9 . 1 1 142 142 THR H H 142 6.964 6.964 7.479 -0.515 17603 8277 1 9 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.533 0.128 17603 8278 1 9 . 1 1 143 143 PRO C C 143 178.494 178.494 177.502 0.992 17603 8279 1 9 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.656 0.956 17603 8280 1 9 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.643 0.229 17603 8281 1 9 . 1 1 144 144 ASN N N 144 116.334 116.334 115.661 0.673 17603 8282 1 9 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.330 -0.015 17603 8283 1 9 . 1 1 144 144 ASN C C 144 177.341 177.341 177.169 0.172 17603 8284 1 9 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.235 0.433 17603 8285 1 9 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.693 -0.027 17603 8286 1 9 . 1 1 144 144 ASN H H 144 7.971 7.971 8.474 -0.503 17603 8287 1 9 . 1 1 145 145 ARG N N 145 121.642 121.642 120.992 0.650 17603 8288 1 9 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.019 -0.089 17603 8289 1 9 . 1 1 145 145 ARG C C 145 177.087 177.087 178.168 -1.081 17603 8290 1 9 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.287 -1.152 17603 8291 1 9 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.241 1.214 17603 8292 1 9 . 1 1 145 145 ARG H H 145 7.750 7.750 8.240 -0.490 17603 8293 1 9 . 1 1 146 146 ALA N N 146 119.316 119.316 121.187 -1.871 17603 8294 1 9 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.334 -0.476 17603 8295 1 9 . 1 1 146 146 ALA C C 146 179.664 179.664 178.956 0.708 17603 8296 1 9 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.252 0.289 17603 8297 1 9 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.207 1.808 17603 8298 1 9 . 1 1 146 146 ALA H H 146 8.429 8.429 8.331 0.098 17603 8299 1 9 . 1 1 147 147 LYS N N 147 116.714 116.714 119.245 -2.531 17603 8300 1 9 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.107 -0.066 17603 8301 1 9 . 1 1 147 147 LYS C C 147 179.974 179.974 178.991 0.983 17603 8302 1 9 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.857 0.872 17603 8303 1 9 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.364 0.424 17603 8304 1 9 . 1 1 147 147 LYS H H 147 8.253 8.253 7.926 0.327 17603 8305 1 9 . 1 1 148 148 ARG N N 148 119.234 119.234 118.835 0.399 17603 8306 1 9 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.940 -0.107 17603 8307 1 9 . 1 1 148 148 ARG C C 148 180.146 180.146 178.987 1.159 17603 8308 1 9 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.383 1.410 17603 8309 1 9 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.076 0.162 17603 8310 1 9 . 1 1 148 148 ARG H H 148 7.279 7.279 7.887 -0.608 17603 8311 1 9 . 1 1 149 149 VAL N N 149 125.307 125.307 120.537 4.770 17603 8312 1 9 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.783 -0.326 17603 8313 1 9 . 1 1 149 149 VAL C C 149 178.460 178.460 178.300 0.160 17603 8314 1 9 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.621 1.547 17603 8315 1 9 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.996 0.459 17603 8316 1 9 . 1 1 149 149 VAL H H 149 8.816 8.816 7.792 1.024 17603 8317 1 9 . 1 1 150 150 ILE N N 150 121.097 121.097 120.952 0.145 17603 8318 1 9 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.910 -0.024 17603 8319 1 9 . 1 1 150 150 ILE C C 150 178.378 178.378 178.157 0.221 17603 8320 1 9 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.870 1.498 17603 8321 1 9 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.873 -0.174 17603 8322 1 9 . 1 1 150 150 ILE H H 150 9.547 9.547 8.923 0.624 17603 8323 1 9 . 1 1 151 151 THR N N 151 117.959 117.959 116.802 1.157 17603 8324 1 9 . 1 1 151 151 THR HA H 151 3.933 3.933 4.036 -0.103 17603 8325 1 9 . 1 1 151 151 THR C C 151 176.283 176.283 176.565 -0.282 17603 8326 1 9 . 1 1 151 151 THR CA C 151 67.403 67.403 67.650 -0.247 17603 8327 1 9 . 1 1 151 151 THR CB C 151 68.172 68.172 68.358 -0.186 17603 8328 1 9 . 1 1 151 151 THR H H 151 8.444 8.444 8.536 -0.092 17603 8329 1 9 . 1 1 152 152 THR N N 152 122.010 122.010 119.771 2.239 17603 8330 1 9 . 1 1 152 152 THR HA H 152 3.944 3.944 4.197 -0.253 17603 8331 1 9 . 1 1 152 152 THR C C 152 176.671 176.671 176.298 0.373 17603 8332 1 9 . 1 1 152 152 THR CA C 152 67.498 67.498 66.873 0.625 17603 8333 1 9 . 1 1 152 152 THR H H 152 7.964 7.964 7.780 0.184 17603 8334 1 9 . 1 1 153 153 PHE N N 153 120.387 120.387 121.383 -0.996 17603 8335 1 9 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.125 -0.172 17603 8336 1 9 . 1 1 153 153 PHE C C 153 178.321 178.321 177.411 0.910 17603 8337 1 9 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.273 1.436 17603 8338 1 9 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.422 0.918 17603 8339 1 9 . 1 1 153 153 PHE H H 153 8.375 8.375 8.263 0.112 17603 8340 1 9 . 1 1 154 154 ARG N N 154 118.015 118.015 119.563 -1.548 17603 8341 1 9 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.182 -0.112 17603 8342 1 9 . 1 1 154 154 ARG C C 154 178.076 178.076 178.507 -0.431 17603 8343 1 9 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.939 0.423 17603 8344 1 9 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.582 0.964 17603 8345 1 9 . 1 1 154 154 ARG H H 154 8.795 8.795 8.428 0.367 17603 8346 1 9 . 1 1 155 155 THR N N 155 104.622 104.622 108.827 -4.205 17603 8347 1 9 . 1 1 155 155 THR HA H 155 4.252 4.252 4.302 -0.050 17603 8348 1 9 . 1 1 155 155 THR C C 155 176.765 176.765 175.759 1.006 17603 8349 1 9 . 1 1 155 155 THR CA C 155 62.470 62.470 62.126 0.344 17603 8350 1 9 . 1 1 155 155 THR CB C 155 71.330 71.330 69.924 1.406 17603 8351 1 9 . 1 1 155 155 THR H H 155 8.169 8.169 7.913 0.256 17603 8352 1 9 . 1 1 156 156 GLY N N 156 111.689 111.689 112.338 -0.649 17603 8353 1 9 . 1 1 156 156 GLY C C 156 172.933 172.933 174.180 -1.247 17603 8354 1 9 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.932 0.235 17603 8355 1 9 . 1 1 156 156 GLY H H 156 8.491 8.491 8.026 0.465 17603 8356 1 9 . 1 1 157 157 THR N N 157 108.301 108.301 110.546 -2.245 17603 8357 1 9 . 1 1 157 157 THR HA H 157 4.637 4.637 4.379 0.258 17603 8358 1 9 . 1 1 157 157 THR C C 157 174.086 174.086 173.034 1.052 17603 8359 1 9 . 1 1 157 157 THR CA C 157 58.748 58.748 59.391 -0.643 17603 8360 1 9 . 1 1 157 157 THR CB C 157 72.418 72.418 71.529 0.889 17603 8361 1 9 . 1 1 157 157 THR H H 157 7.603 7.603 7.261 0.342 17603 8362 1 9 . 1 1 158 158 TRP N N 158 118.038 118.038 119.716 -1.678 17603 8363 1 9 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.937 0.127 17603 8364 1 9 . 1 1 158 158 TRP C C 158 177.922 177.922 176.868 1.054 17603 8365 1 9 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.468 -0.122 17603 8366 1 9 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.366 0.413 17603 8367 1 9 . 1 1 158 158 TRP H H 158 8.602 8.602 8.606 -0.004 17603 8368 1 9 . 1 1 159 159 ASP N N 159 119.620 119.620 122.140 -2.520 17603 8369 1 9 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.459 -0.266 17603 8370 1 9 . 1 1 159 159 ASP C C 159 177.407 177.407 178.095 -0.688 17603 8371 1 9 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.615 1.164 17603 8372 1 9 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.249 0.425 17603 8373 1 9 . 1 1 159 159 ASP H H 159 7.909 7.909 7.839 0.070 17603 8374 1 9 . 1 1 160 160 ALA N N 160 119.985 119.985 121.163 -1.178 17603 8375 1 9 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.178 0.023 17603 8376 1 9 . 1 1 160 160 ALA C C 160 177.362 177.362 177.928 -0.566 17603 8377 1 9 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.656 0.073 17603 8378 1 9 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.526 0.092 17603 8379 1 9 . 1 1 160 160 ALA H H 160 9.187 9.187 8.339 0.848 17603 8380 1 9 . 1 1 161 161 TYR N N 161 113.735 113.735 113.339 0.396 17603 8381 1 9 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.641 -0.394 17603 8382 1 9 . 1 1 161 161 TYR C C 161 175.125 175.125 177.428 -2.303 17603 8383 1 9 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.236 0.673 17603 8384 1 9 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.417 0.439 17603 8385 1 9 . 1 1 161 161 TYR H H 161 8.061 8.061 8.012 0.049 17603 8386 1 9 . 1 1 162 162 LYS N N 162 119.491 119.491 120.353 -0.862 17603 8387 1 9 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.232 -0.083 17603 8388 1 9 . 1 1 162 162 LYS C C 162 176.030 176.030 177.877 -1.847 17603 8389 1 9 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.396 -0.938 17603 8390 1 9 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.207 -3.079 17603 8391 1 9 . 1 1 162 162 LYS H H 162 7.262 7.262 7.668 -0.406 17603 8392 1 9 . 1 1 163 163 ASN N N 163 117.131 117.131 115.963 1.168 17603 8393 1 9 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.681 -0.091 17603 8394 1 9 . 1 1 163 163 ASN C C 163 173.691 173.691 175.324 -1.633 17603 8395 1 9 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.505 0.379 17603 8396 1 9 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.061 -0.919 17603 8397 1 9 . 1 1 163 163 ASN H H 163 8.457 8.457 8.406 0.051 17603 8398 1 10 . 1 1 2 2 ASN N N 2 115.826 115.826 119.817 -3.991 17603 8399 1 10 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.565 -0.098 17603 8400 1 10 . 1 1 2 2 ASN C C 2 174.640 174.640 174.614 0.026 17603 8401 1 10 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.036 -0.122 17603 8402 1 10 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.034 0.210 17603 8403 1 10 . 1 1 2 2 ASN H H 2 6.923 6.923 7.740 -0.817 17603 8404 1 10 . 1 1 3 3 ILE N N 3 116.880 116.880 119.931 -3.051 17603 8405 1 10 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.870 0.207 17603 8406 1 10 . 1 1 3 3 ILE C C 3 174.099 174.099 176.408 -2.309 17603 8407 1 10 . 1 1 3 3 ILE CA C 3 61.631 61.631 63.005 -1.374 17603 8408 1 10 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.918 0.274 17603 8409 1 10 . 1 1 3 3 ILE H H 3 8.815 8.815 8.486 0.329 17603 8410 1 10 . 1 1 4 4 PHE N N 4 121.992 121.992 118.786 3.206 17603 8411 1 10 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.189 -0.160 17603 8412 1 10 . 1 1 4 4 PHE C C 4 177.093 177.093 178.075 -0.982 17603 8413 1 10 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.274 -1.266 17603 8414 1 10 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.378 -0.218 17603 8415 1 10 . 1 1 4 4 PHE H H 4 7.336 7.336 8.036 -0.700 17603 8416 1 10 . 1 1 5 5 GLU N N 5 118.284 118.284 119.565 -1.281 17603 8417 1 10 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.904 -0.123 17603 8418 1 10 . 1 1 5 5 GLU C C 5 178.340 178.340 179.020 -0.680 17603 8419 1 10 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.160 -0.512 17603 8420 1 10 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.407 0.949 17603 8421 1 10 . 1 1 5 5 GLU H H 5 7.892 7.892 8.595 -0.703 17603 8422 1 10 . 1 1 6 6 MET N N 6 118.546 118.546 120.941 -2.395 17603 8423 1 10 . 1 1 6 6 MET HA H 6 3.314 3.314 3.763 -0.449 17603 8424 1 10 . 1 1 6 6 MET C C 6 177.078 177.078 178.018 -0.940 17603 8425 1 10 . 1 1 6 6 MET CA C 6 58.988 58.988 59.243 -0.255 17603 8426 1 10 . 1 1 6 6 MET CB C 6 34.498 34.498 32.591 1.907 17603 8427 1 10 . 1 1 6 6 MET H H 6 7.946 7.946 8.376 -0.430 17603 8428 1 10 . 1 1 7 7 LEU N N 7 116.516 116.516 118.271 -1.755 17603 8429 1 10 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.929 0.039 17603 8430 1 10 . 1 1 7 7 LEU C C 7 178.579 178.579 178.748 -0.169 17603 8431 1 10 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.397 0.208 17603 8432 1 10 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.216 0.678 17603 8433 1 10 . 1 1 7 7 LEU H H 7 7.969 7.969 8.213 -0.244 17603 8434 1 10 . 1 1 8 8 ARG N N 8 120.793 120.793 120.126 0.667 17603 8435 1 10 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.857 -0.298 17603 8436 1 10 . 1 1 8 8 ARG C C 8 180.018 180.018 178.774 1.244 17603 8437 1 10 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.333 1.913 17603 8438 1 10 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.254 0.264 17603 8439 1 10 . 1 1 8 8 ARG H H 8 8.161 8.161 8.127 0.034 17603 8440 1 10 . 1 1 9 9 ILE N N 9 120.805 120.805 118.574 2.231 17603 8441 1 10 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.782 -0.209 17603 8442 1 10 . 1 1 9 9 ILE C C 9 177.878 177.878 177.321 0.557 17603 8443 1 10 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.814 0.462 17603 8444 1 10 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.068 0.205 17603 8445 1 10 . 1 1 9 9 ILE H H 9 7.628 7.628 7.960 -0.332 17603 8446 1 10 . 1 1 10 10 ASP N N 10 118.172 118.172 117.683 0.489 17603 8447 1 10 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.628 -0.222 17603 8448 1 10 . 1 1 10 10 ASP C C 10 178.041 178.041 177.779 0.262 17603 8449 1 10 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.376 1.918 17603 8450 1 10 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.152 0.719 17603 8451 1 10 . 1 1 10 10 ASP H H 10 7.999 7.999 8.025 -0.026 17603 8452 1 10 . 1 1 11 11 GLU N N 11 115.562 115.562 116.064 -0.502 17603 8453 1 10 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.592 0.049 17603 8454 1 10 . 1 1 11 11 GLU C C 11 178.197 178.197 177.209 0.988 17603 8455 1 10 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.248 -0.144 17603 8456 1 10 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.776 -0.681 17603 8457 1 10 . 1 1 11 11 GLU H H 11 8.855 8.855 8.248 0.607 17603 8458 1 10 . 1 1 12 12 GLY N N 12 109.971 109.971 108.609 1.362 17603 8459 1 10 . 1 1 12 12 GLY C C 12 170.049 170.049 171.893 -1.844 17603 8460 1 10 . 1 1 12 12 GLY CA C 12 44.694 44.694 45.007 -0.313 17603 8461 1 10 . 1 1 12 12 GLY H H 12 7.550 7.550 7.958 -0.408 17603 8462 1 10 . 1 1 13 13 LEU N N 13 117.547 117.547 121.463 -3.916 17603 8463 1 10 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.036 -0.578 17603 8464 1 10 . 1 1 13 13 LEU C C 13 175.566 175.566 175.117 0.449 17603 8465 1 10 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.521 0.051 17603 8466 1 10 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.633 -0.766 17603 8467 1 10 . 1 1 13 13 LEU H H 13 7.755 7.755 8.214 -0.459 17603 8468 1 10 . 1 1 14 14 ARG N N 14 126.722 126.722 125.083 1.639 17603 8469 1 10 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.656 0.029 17603 8470 1 10 . 1 1 14 14 ARG C C 14 175.979 175.979 175.903 0.076 17603 8471 1 10 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.879 -0.616 17603 8472 1 10 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.431 0.387 17603 8473 1 10 . 1 1 14 14 ARG H H 14 8.214 8.214 8.227 -0.013 17603 8474 1 10 . 1 1 15 15 LEU N N 15 123.112 123.112 121.326 1.786 17603 8475 1 10 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.386 -0.041 17603 8476 1 10 . 1 1 15 15 LEU C C 15 173.808 173.808 176.046 -2.238 17603 8477 1 10 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.071 -0.298 17603 8478 1 10 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.307 -2.535 17603 8479 1 10 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 8480 1 10 . 1 1 16 16 LYS N N 16 115.048 115.048 119.352 -4.304 17603 8481 1 10 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.258 0.098 17603 8482 1 10 . 1 1 16 16 LYS C C 16 176.072 176.072 176.749 -0.677 17603 8483 1 10 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.200 -0.327 17603 8484 1 10 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.227 0.734 17603 8485 1 10 . 1 1 16 16 LYS H H 16 7.124 7.124 7.317 -0.193 17603 8486 1 10 . 1 1 17 17 ILE N N 17 120.916 120.916 126.319 -5.403 17603 8487 1 10 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.284 -0.176 17603 8488 1 10 . 1 1 17 17 ILE C C 17 174.826 174.826 176.486 -1.660 17603 8489 1 10 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.461 0.485 17603 8490 1 10 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.370 1.112 17603 8491 1 10 . 1 1 17 17 ILE H H 17 7.555 7.555 8.255 -0.700 17603 8492 1 10 . 1 1 18 18 TYR N N 18 128.021 128.021 125.975 2.046 17603 8493 1 10 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.113 -0.037 17603 8494 1 10 . 1 1 18 18 TYR C C 18 172.698 172.698 173.519 -0.821 17603 8495 1 10 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.289 0.317 17603 8496 1 10 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.906 0.608 17603 8497 1 10 . 1 1 18 18 TYR H H 18 9.340 9.340 9.083 0.257 17603 8498 1 10 . 1 1 19 19 LYS N N 19 122.578 122.578 120.908 1.670 17603 8499 1 10 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.545 -0.012 17603 8500 1 10 . 1 1 19 19 LYS C C 19 175.823 175.823 176.218 -0.395 17603 8501 1 10 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.000 0.106 17603 8502 1 10 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.869 0.351 17603 8503 1 10 . 1 1 19 19 LYS H H 19 8.260 8.260 8.411 -0.151 17603 8504 1 10 . 1 1 20 20 ASP N N 20 125.695 125.695 124.437 1.258 17603 8505 1 10 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.742 -0.151 17603 8506 1 10 . 1 1 20 20 ASP C C 20 178.065 178.065 178.312 -0.247 17603 8507 1 10 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.158 -0.374 17603 8508 1 10 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.616 -0.696 17603 8509 1 10 . 1 1 20 20 ASP H H 20 8.517 8.517 8.827 -0.310 17603 8510 1 10 . 1 1 21 21 THR N N 21 110.206 110.206 109.792 0.414 17603 8511 1 10 . 1 1 21 21 THR HA H 21 3.982 3.982 4.066 -0.084 17603 8512 1 10 . 1 1 21 21 THR C C 21 175.854 175.854 175.648 0.206 17603 8513 1 10 . 1 1 21 21 THR CA C 21 65.025 65.025 64.805 0.220 17603 8514 1 10 . 1 1 21 21 THR CB C 21 68.796 68.796 68.787 0.009 17603 8515 1 10 . 1 1 21 21 THR H H 21 7.953 7.953 8.703 -0.750 17603 8516 1 10 . 1 1 22 22 GLU N N 22 120.359 120.359 119.831 0.528 17603 8517 1 10 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.236 -0.063 17603 8518 1 10 . 1 1 22 22 GLU C C 22 175.597 175.597 176.590 -0.993 17603 8519 1 10 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.816 0.482 17603 8520 1 10 . 1 1 22 22 GLU CB C 22 30.353 30.353 30.036 0.317 17603 8521 1 10 . 1 1 22 22 GLU H H 22 8.013 8.013 8.063 -0.050 17603 8522 1 10 . 1 1 23 23 GLY N N 23 106.729 106.729 106.713 0.016 17603 8523 1 10 . 1 1 23 23 GLY C C 23 173.526 173.526 174.048 -0.522 17603 8524 1 10 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.048 -0.082 17603 8525 1 10 . 1 1 23 23 GLY H H 23 7.841 7.841 7.811 0.030 17603 8526 1 10 . 1 1 24 24 TYR N N 24 120.577 120.577 119.502 1.075 17603 8527 1 10 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.503 0.372 17603 8528 1 10 . 1 1 24 24 TYR C C 24 177.535 177.535 175.775 1.760 17603 8529 1 10 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.452 -1.209 17603 8530 1 10 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.065 -0.764 17603 8531 1 10 . 1 1 24 24 TYR H H 24 8.116 8.116 8.055 0.061 17603 8532 1 10 . 1 1 25 25 TYR N N 25 122.385 122.385 123.178 -0.793 17603 8533 1 10 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.879 0.056 17603 8534 1 10 . 1 1 25 25 TYR C C 25 175.310 175.310 176.184 -0.874 17603 8535 1 10 . 1 1 25 25 TYR CA C 25 59.794 59.794 59.998 -0.204 17603 8536 1 10 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.870 2.023 17603 8537 1 10 . 1 1 25 25 TYR H H 25 8.679 8.679 8.871 -0.192 17603 8538 1 10 . 1 1 26 26 THR N N 26 120.628 120.628 118.020 2.608 17603 8539 1 10 . 1 1 26 26 THR HA H 26 5.179 5.179 5.020 0.159 17603 8540 1 10 . 1 1 26 26 THR C C 26 180.259 180.259 172.588 7.671 17603 8541 1 10 . 1 1 26 26 THR CA C 26 61.015 61.015 61.252 -0.237 17603 8542 1 10 . 1 1 26 26 THR CB C 26 72.424 72.424 72.364 0.060 17603 8543 1 10 . 1 1 26 26 THR H H 26 9.362 9.362 9.052 0.310 17603 8544 1 10 . 1 1 27 27 ILE N N 27 120.468 120.468 120.652 -0.184 17603 8545 1 10 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.507 0.039 17603 8546 1 10 . 1 1 27 27 ILE C C 27 172.440 172.440 174.628 -2.188 17603 8547 1 10 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.787 0.720 17603 8548 1 10 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.025 1.158 17603 8549 1 10 . 1 1 27 27 ILE H H 27 8.814 8.814 8.492 0.322 17603 8550 1 10 . 1 1 28 28 GLY N N 28 112.172 112.172 112.803 -0.631 17603 8551 1 10 . 1 1 28 28 GLY C C 28 174.772 174.772 174.194 0.578 17603 8552 1 10 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.072 -0.075 17603 8553 1 10 . 1 1 28 28 GLY H H 28 8.553 8.553 8.797 -0.244 17603 8554 1 10 . 1 1 29 29 ILE N N 29 133.320 133.320 125.119 8.201 17603 8555 1 10 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.419 0.407 17603 8556 1 10 . 1 1 29 29 ILE C C 29 176.677 176.677 176.621 0.056 17603 8557 1 10 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.781 -1.569 17603 8558 1 10 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.733 -0.872 17603 8559 1 10 . 1 1 29 29 ILE H H 29 10.142 10.142 8.647 1.495 17603 8560 1 10 . 1 1 30 30 GLY N N 30 108.192 108.192 112.507 -4.315 17603 8561 1 10 . 1 1 30 30 GLY C C 30 173.131 173.131 174.227 -1.096 17603 8562 1 10 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.032 1.159 17603 8563 1 10 . 1 1 30 30 GLY H H 30 8.121 8.121 8.385 -0.264 17603 8564 1 10 . 1 1 31 31 HIS N N 31 115.740 115.740 120.138 -4.398 17603 8565 1 10 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.602 -0.301 17603 8566 1 10 . 1 1 31 31 HIS C C 31 173.495 173.495 174.574 -1.079 17603 8567 1 10 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.694 1.980 17603 8568 1 10 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.865 -2.294 17603 8569 1 10 . 1 1 31 31 HIS H H 31 8.266 8.266 8.376 -0.110 17603 8570 1 10 . 1 1 32 32 LEU N N 32 132.140 132.140 128.617 3.523 17603 8571 1 10 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.962 0.127 17603 8572 1 10 . 1 1 32 32 LEU C C 32 176.486 176.486 175.613 0.873 17603 8573 1 10 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.414 0.426 17603 8574 1 10 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.180 -0.246 17603 8575 1 10 . 1 1 32 32 LEU H H 32 7.873 7.873 8.248 -0.375 17603 8576 1 10 . 1 1 33 33 LEU N N 33 125.594 125.594 126.257 -0.663 17603 8577 1 10 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.333 0.103 17603 8578 1 10 . 1 1 33 33 LEU C C 33 176.139 176.139 177.113 -0.974 17603 8579 1 10 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.873 -0.191 17603 8580 1 10 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.076 0.373 17603 8581 1 10 . 1 1 33 33 LEU H H 33 9.060 9.060 8.748 0.312 17603 8582 1 10 . 1 1 34 34 THR N N 34 109.512 109.512 109.010 0.502 17603 8583 1 10 . 1 1 34 34 THR HA H 34 4.485 4.485 4.382 0.103 17603 8584 1 10 . 1 1 34 34 THR C C 34 171.666 171.666 172.283 -0.617 17603 8585 1 10 . 1 1 34 34 THR CA C 34 60.278 60.278 61.369 -1.091 17603 8586 1 10 . 1 1 34 34 THR CB C 34 67.479 67.479 71.451 -3.972 17603 8587 1 10 . 1 1 34 34 THR H H 34 7.266 7.266 7.361 -0.095 17603 8588 1 10 . 1 1 35 35 LYS N N 35 125.041 125.041 122.522 2.519 17603 8589 1 10 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.012 0.282 17603 8590 1 10 . 1 1 35 35 LYS C C 35 176.714 176.714 176.741 -0.027 17603 8591 1 10 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.893 0.462 17603 8592 1 10 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.276 0.110 17603 8593 1 10 . 1 1 35 35 LYS H H 35 8.556 8.556 8.276 0.280 17603 8594 1 10 . 1 1 36 36 SER N N 36 119.417 119.417 117.672 1.745 17603 8595 1 10 . 1 1 36 36 SER CA C 36 57.016 57.016 56.282 0.734 17603 8596 1 10 . 1 1 36 36 SER CB C 36 64.053 64.053 63.776 0.277 17603 8597 1 10 . 1 1 36 36 SER H H 36 8.671 8.671 7.766 0.905 17603 8598 1 10 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.577 0.257 17603 8599 1 10 . 1 1 37 37 PRO C C 37 177.182 177.182 176.801 0.381 17603 8600 1 10 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.429 0.288 17603 8601 1 10 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.939 -1.287 17603 8602 1 10 . 1 1 38 38 SER N N 38 116.310 116.310 116.090 0.220 17603 8603 1 10 . 1 1 38 38 SER HA H 38 4.703 4.703 4.568 0.135 17603 8604 1 10 . 1 1 38 38 SER C C 38 174.405 174.405 175.311 -0.906 17603 8605 1 10 . 1 1 38 38 SER CA C 38 56.494 56.494 56.684 -0.190 17603 8606 1 10 . 1 1 38 38 SER CB C 38 63.608 63.608 63.580 0.028 17603 8607 1 10 . 1 1 38 38 SER H H 38 8.189 8.189 7.744 0.445 17603 8608 1 10 . 1 1 39 39 LEU N N 39 132.784 132.784 130.480 2.304 17603 8609 1 10 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.346 0.009 17603 8610 1 10 . 1 1 39 39 LEU C C 39 178.441 178.441 177.566 0.875 17603 8611 1 10 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.140 0.118 17603 8612 1 10 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.845 -0.360 17603 8613 1 10 . 1 1 39 39 LEU H H 39 8.916 8.916 8.789 0.127 17603 8614 1 10 . 1 1 40 40 ASN N N 40 116.840 116.840 117.513 -0.673 17603 8615 1 10 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.339 -0.076 17603 8616 1 10 . 1 1 40 40 ASN C C 40 178.226 178.226 177.433 0.793 17603 8617 1 10 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.974 0.364 17603 8618 1 10 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.629 0.094 17603 8619 1 10 . 1 1 40 40 ASN H H 40 8.255 8.255 8.217 0.038 17603 8620 1 10 . 1 1 41 41 ALA N N 41 123.964 123.964 122.973 0.991 17603 8621 1 10 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.993 0.201 17603 8622 1 10 . 1 1 41 41 ALA C C 41 179.835 179.835 178.889 0.946 17603 8623 1 10 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.925 -0.057 17603 8624 1 10 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.351 -0.478 17603 8625 1 10 . 1 1 41 41 ALA H H 41 7.710 7.710 7.592 0.118 17603 8626 1 10 . 1 1 42 42 ALA N N 42 121.099 121.099 121.292 -0.193 17603 8627 1 10 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.867 -0.117 17603 8628 1 10 . 1 1 42 42 ALA C C 42 178.838 178.838 179.447 -0.609 17603 8629 1 10 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.097 0.436 17603 8630 1 10 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.076 0.500 17603 8631 1 10 . 1 1 42 42 ALA H H 42 7.571 7.571 7.852 -0.281 17603 8632 1 10 . 1 1 43 43 LYS N N 43 117.308 117.308 118.132 -0.824 17603 8633 1 10 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.889 -0.235 17603 8634 1 10 . 1 1 43 43 LYS C C 43 177.511 177.511 178.917 -1.406 17603 8635 1 10 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.712 0.947 17603 8636 1 10 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.136 0.291 17603 8637 1 10 . 1 1 43 43 LYS H H 43 8.377 8.377 8.247 0.130 17603 8638 1 10 . 1 1 44 44 SER N N 44 114.066 114.066 115.248 -1.182 17603 8639 1 10 . 1 1 44 44 SER HA H 44 4.256 4.256 4.164 0.092 17603 8640 1 10 . 1 1 44 44 SER C C 44 177.894 177.894 176.605 1.289 17603 8641 1 10 . 1 1 44 44 SER CA C 44 61.764 61.764 61.392 0.372 17603 8642 1 10 . 1 1 44 44 SER CB C 44 62.722 62.722 62.551 0.171 17603 8643 1 10 . 1 1 44 44 SER H H 44 7.895 7.895 8.143 -0.248 17603 8644 1 10 . 1 1 45 45 GLU N N 45 120.349 120.349 121.226 -0.877 17603 8645 1 10 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.039 0.068 17603 8646 1 10 . 1 1 45 45 GLU C C 45 179.336 179.336 179.145 0.191 17603 8647 1 10 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.994 -0.568 17603 8648 1 10 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.322 0.026 17603 8649 1 10 . 1 1 45 45 GLU H H 45 7.988 7.988 7.877 0.111 17603 8650 1 10 . 1 1 46 46 LEU N N 46 122.887 122.887 122.336 0.551 17603 8651 1 10 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.057 -0.119 17603 8652 1 10 . 1 1 46 46 LEU C C 46 177.291 177.291 178.297 -1.006 17603 8653 1 10 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.183 -0.534 17603 8654 1 10 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.656 -0.040 17603 8655 1 10 . 1 1 46 46 LEU H H 46 8.286 8.286 8.314 -0.028 17603 8656 1 10 . 1 1 47 47 ASP N N 47 120.418 120.418 119.877 0.541 17603 8657 1 10 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.488 0.272 17603 8658 1 10 . 1 1 47 47 ASP C C 47 180.926 180.926 179.124 1.802 17603 8659 1 10 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.417 -0.099 17603 8660 1 10 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.252 -0.223 17603 8661 1 10 . 1 1 47 47 ASP H H 47 8.553 8.553 8.423 0.130 17603 8662 1 10 . 1 1 48 48 LYS N N 48 120.743 120.743 120.006 0.737 17603 8663 1 10 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.060 -0.057 17603 8664 1 10 . 1 1 48 48 LYS C C 48 178.198 178.198 178.302 -0.104 17603 8665 1 10 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.867 0.314 17603 8666 1 10 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.590 0.114 17603 8667 1 10 . 1 1 48 48 LYS H H 48 7.747 7.747 7.929 -0.182 17603 8668 1 10 . 1 1 49 49 ALA N N 49 121.258 121.258 121.929 -0.671 17603 8669 1 10 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.210 -0.054 17603 8670 1 10 . 1 1 49 49 ALA C C 49 179.386 179.386 179.195 0.191 17603 8671 1 10 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.547 -0.075 17603 8672 1 10 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.968 -0.734 17603 8673 1 10 . 1 1 49 49 ALA H H 49 7.925 7.925 7.964 -0.039 17603 8674 1 10 . 1 1 50 50 ILE N N 50 114.806 114.806 115.946 -1.140 17603 8675 1 10 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.050 0.028 17603 8676 1 10 . 1 1 50 50 ILE C C 50 177.205 177.205 177.208 -0.003 17603 8677 1 10 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.047 -1.945 17603 8678 1 10 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.425 -1.131 17603 8679 1 10 . 1 1 50 50 ILE H H 50 8.323 8.323 7.712 0.611 17603 8680 1 10 . 1 1 51 51 GLY N N 51 109.238 109.238 109.790 -0.552 17603 8681 1 10 . 1 1 51 51 GLY C C 51 173.771 173.771 173.776 -0.005 17603 8682 1 10 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.153 0.769 17603 8683 1 10 . 1 1 51 51 GLY H H 51 8.340 8.340 8.378 -0.038 17603 8684 1 10 . 1 1 52 52 ARG N N 52 115.526 115.526 116.555 -1.029 17603 8685 1 10 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.522 0.035 17603 8686 1 10 . 1 1 52 52 ARG C C 52 172.391 172.391 173.392 -1.001 17603 8687 1 10 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.814 0.266 17603 8688 1 10 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.306 -0.099 17603 8689 1 10 . 1 1 52 52 ARG H H 52 7.656 7.656 7.631 0.025 17603 8690 1 10 . 1 1 53 53 ASN N N 53 115.684 115.684 120.468 -4.784 17603 8691 1 10 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.946 -0.250 17603 8692 1 10 . 1 1 53 53 ASN C C 53 175.491 175.491 174.994 0.497 17603 8693 1 10 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.823 0.328 17603 8694 1 10 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.031 17603 8695 1 10 . 1 1 53 53 ASN H H 53 8.241 8.241 8.686 -0.445 17603 8696 1 10 . 1 1 54 54 THR N N 54 119.609 119.609 118.035 1.574 17603 8697 1 10 . 1 1 54 54 THR HA H 54 4.300 4.300 4.497 -0.197 17603 8698 1 10 . 1 1 54 54 THR C C 54 177.264 177.264 174.678 2.586 17603 8699 1 10 . 1 1 54 54 THR CA C 54 63.701 63.701 60.888 2.813 17603 8700 1 10 . 1 1 54 54 THR CB C 54 70.615 70.615 70.620 -0.005 17603 8701 1 10 . 1 1 54 54 THR H H 54 9.034 9.034 8.774 0.260 17603 8702 1 10 . 1 1 55 55 ASN N N 55 120.027 120.027 118.445 1.582 17603 8703 1 10 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.692 -0.308 17603 8704 1 10 . 1 1 55 55 ASN C C 55 175.774 175.774 175.670 0.104 17603 8705 1 10 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.031 2.396 17603 8706 1 10 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.714 -0.069 17603 8707 1 10 . 1 1 55 55 ASN H H 55 9.426 9.426 8.341 1.085 17603 8708 1 10 . 1 1 56 56 GLY N N 56 103.056 103.056 108.255 -5.199 17603 8709 1 10 . 1 1 56 56 GLY C C 56 172.072 172.072 172.906 -0.834 17603 8710 1 10 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.166 0.020 17603 8711 1 10 . 1 1 56 56 GLY H H 56 8.662 8.662 7.799 0.863 17603 8712 1 10 . 1 1 57 57 VAL N N 57 119.999 119.999 118.570 1.429 17603 8713 1 10 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.292 -0.163 17603 8714 1 10 . 1 1 57 57 VAL C C 57 174.971 174.971 174.878 0.093 17603 8715 1 10 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.691 1.329 17603 8716 1 10 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.643 0.528 17603 8717 1 10 . 1 1 57 57 VAL H H 57 7.444 7.444 7.422 0.022 17603 8718 1 10 . 1 1 58 58 ILE N N 58 116.746 116.746 121.342 -4.596 17603 8719 1 10 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.093 -0.247 17603 8720 1 10 . 1 1 58 58 ILE C C 58 175.376 175.376 175.214 0.162 17603 8721 1 10 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.918 0.721 17603 8722 1 10 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.929 -0.057 17603 8723 1 10 . 1 1 58 58 ILE H H 58 8.562 8.562 9.075 -0.513 17603 8724 1 10 . 1 1 59 59 THR N N 59 109.208 109.208 112.615 -3.407 17603 8725 1 10 . 1 1 59 59 THR HA H 59 4.632 4.632 4.662 -0.030 17603 8726 1 10 . 1 1 59 59 THR C C 59 176.431 176.431 174.815 1.616 17603 8727 1 10 . 1 1 59 59 THR CA C 59 59.899 59.899 60.186 -0.287 17603 8728 1 10 . 1 1 59 59 THR CB C 59 71.419 71.419 70.297 1.122 17603 8729 1 10 . 1 1 59 59 THR H H 59 8.682 8.682 9.057 -0.375 17603 8730 1 10 . 1 1 60 60 LYS N N 60 121.442 121.442 121.694 -0.252 17603 8731 1 10 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.960 -0.121 17603 8732 1 10 . 1 1 60 60 LYS C C 60 178.238 178.238 178.332 -0.094 17603 8733 1 10 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.465 0.298 17603 8734 1 10 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.267 -0.251 17603 8735 1 10 . 1 1 60 60 LYS H H 60 9.097 9.097 8.819 0.278 17603 8736 1 10 . 1 1 61 61 ASP N N 61 117.513 117.513 118.415 -0.902 17603 8737 1 10 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.409 -0.042 17603 8738 1 10 . 1 1 61 61 ASP C C 61 179.613 179.613 179.029 0.584 17603 8739 1 10 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.524 -0.169 17603 8740 1 10 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.178 0.343 17603 8741 1 10 . 1 1 61 61 ASP H H 61 8.234 8.234 8.534 -0.300 17603 8742 1 10 . 1 1 62 62 GLU N N 62 121.613 121.613 120.197 1.416 17603 8743 1 10 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.069 -0.180 17603 8744 1 10 . 1 1 62 62 GLU C C 62 178.900 178.900 178.830 0.070 17603 8745 1 10 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.115 -0.065 17603 8746 1 10 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.597 -0.114 17603 8747 1 10 . 1 1 62 62 GLU H H 62 7.725 7.725 7.907 -0.182 17603 8748 1 10 . 1 1 63 63 ALA N N 63 121.265 121.265 122.799 -1.534 17603 8749 1 10 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.962 -0.078 17603 8750 1 10 . 1 1 63 63 ALA C C 63 180.712 180.712 179.767 0.945 17603 8751 1 10 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.694 -0.592 17603 8752 1 10 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.403 0.088 17603 8753 1 10 . 1 1 63 63 ALA H H 63 8.500 8.500 8.401 0.099 17603 8754 1 10 . 1 1 64 64 GLU N N 64 120.135 120.135 118.219 1.916 17603 8755 1 10 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.188 -0.094 17603 8756 1 10 . 1 1 64 64 GLU C C 64 177.848 177.848 178.922 -1.074 17603 8757 1 10 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.419 0.338 17603 8758 1 10 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.631 -0.518 17603 8759 1 10 . 1 1 64 64 GLU H H 64 8.412 8.412 8.391 0.021 17603 8760 1 10 . 1 1 65 65 LYS N N 65 122.023 122.023 121.368 0.655 17603 8761 1 10 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.092 0.060 17603 8762 1 10 . 1 1 65 65 LYS C C 65 179.601 179.601 179.001 0.600 17603 8763 1 10 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.639 0.479 17603 8764 1 10 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.413 -0.093 17603 8765 1 10 . 1 1 65 65 LYS H H 65 7.853 7.853 8.007 -0.154 17603 8766 1 10 . 1 1 66 66 LEU N N 66 118.739 118.739 119.314 -0.575 17603 8767 1 10 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.915 0.018 17603 8768 1 10 . 1 1 66 66 LEU C C 66 177.920 177.920 179.087 -1.167 17603 8769 1 10 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.897 -0.395 17603 8770 1 10 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.609 0.771 17603 8771 1 10 . 1 1 66 66 LEU H H 66 7.822 7.822 8.103 -0.281 17603 8772 1 10 . 1 1 67 67 PHE N N 67 119.050 119.050 120.243 -1.193 17603 8773 1 10 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.267 0.928 17603 8774 1 10 . 1 1 67 67 PHE C C 67 177.421 177.421 177.543 -0.122 17603 8775 1 10 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.802 -0.869 17603 8776 1 10 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.933 1.042 17603 8777 1 10 . 1 1 67 67 PHE H H 67 8.075 8.075 8.463 -0.388 17603 8778 1 10 . 1 1 68 68 ASN N N 68 118.041 118.041 117.395 0.646 17603 8779 1 10 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.356 -0.107 17603 8780 1 10 . 1 1 68 68 ASN C C 68 178.777 178.777 177.561 1.216 17603 8781 1 10 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.529 0.529 17603 8782 1 10 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.589 -0.098 17603 8783 1 10 . 1 1 68 68 ASN H H 68 8.505 8.505 8.561 -0.056 17603 8784 1 10 . 1 1 69 69 GLN N N 69 118.812 118.812 119.165 -0.353 17603 8785 1 10 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.983 0.196 17603 8786 1 10 . 1 1 69 69 GLN C C 69 178.938 178.938 178.431 0.507 17603 8787 1 10 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.142 -0.253 17603 8788 1 10 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.690 -0.138 17603 8789 1 10 . 1 1 69 69 GLN H H 69 7.763 7.763 8.076 -0.313 17603 8790 1 10 . 1 1 70 70 ASP N N 70 123.281 123.281 120.923 2.358 17603 8791 1 10 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.448 0.051 17603 8792 1 10 . 1 1 70 70 ASP C C 70 180.101 180.101 178.976 1.125 17603 8793 1 10 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.360 -0.318 17603 8794 1 10 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.547 -0.107 17603 8795 1 10 . 1 1 70 70 ASP H H 70 8.757 8.757 8.446 0.311 17603 8796 1 10 . 1 1 71 71 VAL N N 71 125.532 125.532 120.686 4.846 17603 8797 1 10 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.454 0.142 17603 8798 1 10 . 1 1 71 71 VAL C C 71 177.160 177.160 177.526 -0.366 17603 8799 1 10 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.778 1.230 17603 8800 1 10 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.216 0.367 17603 8801 1 10 . 1 1 71 71 VAL H H 71 9.015 9.015 8.325 0.690 17603 8802 1 10 . 1 1 72 72 ASP N N 72 119.221 119.221 119.971 -0.750 17603 8803 1 10 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.239 0.123 17603 8804 1 10 . 1 1 72 72 ASP C C 72 178.561 178.561 178.177 0.384 17603 8805 1 10 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.300 0.023 17603 8806 1 10 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.080 1.003 17603 8807 1 10 . 1 1 72 72 ASP H H 72 7.599 7.599 8.134 -0.535 17603 8808 1 10 . 1 1 73 73 ALA N N 73 120.038 120.038 121.700 -1.662 17603 8809 1 10 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.028 -0.029 17603 8810 1 10 . 1 1 73 73 ALA C C 73 180.491 180.491 179.553 0.938 17603 8811 1 10 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.054 0.031 17603 8812 1 10 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.204 0.318 17603 8813 1 10 . 1 1 73 73 ALA H H 73 8.276 8.276 8.246 0.030 17603 8814 1 10 . 1 1 74 74 ALA N N 74 123.435 123.435 121.801 1.634 17603 8815 1 10 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.964 0.199 17603 8816 1 10 . 1 1 74 74 ALA C C 74 178.997 178.997 179.505 -0.508 17603 8817 1 10 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.882 -0.055 17603 8818 1 10 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.428 0.002 17603 8819 1 10 . 1 1 74 74 ALA H H 74 7.925 7.925 7.705 0.220 17603 8820 1 10 . 1 1 75 75 VAL N N 75 118.091 118.091 119.054 -0.963 17603 8821 1 10 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.261 -0.030 17603 8822 1 10 . 1 1 75 75 VAL C C 75 178.108 178.108 177.966 0.142 17603 8823 1 10 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.941 0.101 17603 8824 1 10 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.481 0.357 17603 8825 1 10 . 1 1 75 75 VAL H H 75 8.141 8.141 7.883 0.258 17603 8826 1 10 . 1 1 76 76 ARG N N 76 117.779 117.779 119.358 -1.579 17603 8827 1 10 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.891 -0.090 17603 8828 1 10 . 1 1 76 76 ARG C C 76 178.816 178.816 178.913 -0.097 17603 8829 1 10 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.965 -0.053 17603 8830 1 10 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.819 0.407 17603 8831 1 10 . 1 1 76 76 ARG H H 76 8.358 8.358 8.660 -0.302 17603 8832 1 10 . 1 1 77 77 GLY N N 77 105.669 105.669 107.255 -1.586 17603 8833 1 10 . 1 1 77 77 GLY C C 77 176.097 176.097 175.779 0.318 17603 8834 1 10 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.723 -0.049 17603 8835 1 10 . 1 1 77 77 GLY H H 77 7.999 7.999 8.115 -0.116 17603 8836 1 10 . 1 1 78 78 ILE N N 78 122.001 122.001 122.045 -0.044 17603 8837 1 10 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.691 -0.048 17603 8838 1 10 . 1 1 78 78 ILE C C 78 177.194 177.194 178.270 -1.076 17603 8839 1 10 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.717 0.505 17603 8840 1 10 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.875 0.087 17603 8841 1 10 . 1 1 78 78 ILE H H 78 7.579 7.579 7.738 -0.159 17603 8842 1 10 . 1 1 79 79 LEU N N 79 115.459 115.459 117.799 -2.340 17603 8843 1 10 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.022 -0.262 17603 8844 1 10 . 1 1 79 79 LEU C C 79 178.673 178.673 178.117 0.556 17603 8845 1 10 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.950 0.266 17603 8846 1 10 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.624 -0.180 17603 8847 1 10 . 1 1 79 79 LEU H H 79 7.929 7.929 8.034 -0.105 17603 8848 1 10 . 1 1 80 80 ARG N N 80 114.830 114.830 114.611 0.219 17603 8849 1 10 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.315 -0.059 17603 8850 1 10 . 1 1 80 80 ARG C C 80 175.076 175.076 175.795 -0.719 17603 8851 1 10 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.147 -0.118 17603 8852 1 10 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.605 -0.230 17603 8853 1 10 . 1 1 80 80 ARG H H 80 7.680 7.680 7.645 0.035 17603 8854 1 10 . 1 1 81 81 ASN N N 81 120.935 120.935 118.737 2.198 17603 8855 1 10 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.801 -0.042 17603 8856 1 10 . 1 1 81 81 ASN C C 81 174.612 174.612 175.225 -0.613 17603 8857 1 10 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.309 0.205 17603 8858 1 10 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.320 -0.521 17603 8859 1 10 . 1 1 81 81 ASN H H 81 7.516 7.516 7.511 0.005 17603 8860 1 10 . 1 1 82 82 ALA N N 82 128.007 128.007 129.628 -1.621 17603 8861 1 10 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.176 -0.104 17603 8862 1 10 . 1 1 82 82 ALA C C 82 178.837 178.837 178.568 0.269 17603 8863 1 10 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.566 0.319 17603 8864 1 10 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.834 0.142 17603 8865 1 10 . 1 1 82 82 ALA H H 82 8.784 8.784 8.979 -0.195 17603 8866 1 10 . 1 1 83 83 LYS N N 83 114.232 114.232 117.385 -3.153 17603 8867 1 10 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.250 -0.019 17603 8868 1 10 . 1 1 83 83 LYS C C 83 177.362 177.362 178.647 -1.285 17603 8869 1 10 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.569 -1.004 17603 8870 1 10 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.987 -0.184 17603 8871 1 10 . 1 1 83 83 LYS H H 83 8.075 8.075 8.263 -0.188 17603 8872 1 10 . 1 1 84 84 LEU N N 84 115.899 115.899 120.345 -4.446 17603 8873 1 10 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.215 -0.036 17603 8874 1 10 . 1 1 84 84 LEU C C 84 178.322 178.322 178.271 0.051 17603 8875 1 10 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.245 -0.614 17603 8876 1 10 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.102 0.831 17603 8877 1 10 . 1 1 84 84 LEU H H 84 7.422 7.422 8.447 -1.025 17603 8878 1 10 . 1 1 85 85 LYS N N 85 120.723 120.723 120.636 0.087 17603 8879 1 10 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.016 0.520 17603 8880 1 10 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.499 -0.536 17603 8881 1 10 . 1 1 85 85 LYS H H 85 8.407 8.407 8.406 0.001 17603 8882 1 10 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.330 0.131 17603 8883 1 10 . 1 1 86 86 PRO C C 86 180.075 180.075 179.209 0.866 17603 8884 1 10 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.827 0.017 17603 8885 1 10 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.136 -0.329 17603 8886 1 10 . 1 1 87 87 VAL N N 87 116.002 116.002 118.709 -2.707 17603 8887 1 10 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.771 0.019 17603 8888 1 10 . 1 1 87 87 VAL C C 87 178.477 178.477 178.293 0.184 17603 8889 1 10 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.309 -0.876 17603 8890 1 10 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.791 -0.295 17603 8891 1 10 . 1 1 87 87 VAL H H 87 6.903 6.903 7.295 -0.392 17603 8892 1 10 . 1 1 88 88 TYR N N 88 123.146 123.146 121.267 1.879 17603 8893 1 10 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.132 -0.195 17603 8894 1 10 . 1 1 88 88 TYR C C 88 177.346 177.346 178.190 -0.844 17603 8895 1 10 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.990 1.022 17603 8896 1 10 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.411 1.284 17603 8897 1 10 . 1 1 88 88 TYR H H 88 8.454 8.454 8.712 -0.258 17603 8898 1 10 . 1 1 89 89 ASP N N 89 117.059 117.059 117.633 -0.574 17603 8899 1 10 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.361 -0.053 17603 8900 1 10 . 1 1 89 89 ASP C C 89 178.136 178.136 178.454 -0.318 17603 8901 1 10 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.286 -0.661 17603 8902 1 10 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.153 0.433 17603 8903 1 10 . 1 1 89 89 ASP H H 89 9.057 9.057 8.929 0.128 17603 8904 1 10 . 1 1 90 90 SER N N 90 113.398 113.398 114.100 -0.702 17603 8905 1 10 . 1 1 90 90 SER HA H 90 4.435 4.435 4.340 0.095 17603 8906 1 10 . 1 1 90 90 SER C C 90 174.464 174.464 175.021 -0.557 17603 8907 1 10 . 1 1 90 90 SER CA C 90 59.549 59.549 59.563 -0.014 17603 8908 1 10 . 1 1 90 90 SER CB C 90 64.598 64.598 63.447 1.151 17603 8909 1 10 . 1 1 90 90 SER H H 90 7.385 7.385 7.646 -0.261 17603 8910 1 10 . 1 1 91 91 LEU N N 91 123.580 123.580 123.694 -0.114 17603 8911 1 10 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.511 -0.098 17603 8912 1 10 . 1 1 91 91 LEU C C 91 176.375 176.375 176.815 -0.440 17603 8913 1 10 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.012 1.058 17603 8914 1 10 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.120 -0.310 17603 8915 1 10 . 1 1 91 91 LEU H H 91 7.477 7.477 7.359 0.118 17603 8916 1 10 . 1 1 92 92 ASP N N 92 116.218 116.218 122.033 -5.815 17603 8917 1 10 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.480 0.086 17603 8918 1 10 . 1 1 92 92 ASP C C 92 175.360 175.360 176.714 -1.354 17603 8919 1 10 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.969 -1.382 17603 8920 1 10 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.149 0.691 17603 8921 1 10 . 1 1 92 92 ASP H H 92 7.440 7.440 8.457 -1.017 17603 8922 1 10 . 1 1 93 93 ALA N N 93 119.801 119.801 122.082 -2.281 17603 8923 1 10 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.044 -0.304 17603 8924 1 10 . 1 1 93 93 ALA C C 93 179.894 179.894 179.753 0.141 17603 8925 1 10 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.815 1.414 17603 8926 1 10 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.860 0.449 17603 8927 1 10 . 1 1 93 93 ALA H H 93 8.682 8.682 8.539 0.143 17603 8928 1 10 . 1 1 94 94 VAL N N 94 118.735 118.735 118.197 0.538 17603 8929 1 10 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.235 -0.207 17603 8930 1 10 . 1 1 94 94 VAL C C 94 177.116 177.116 177.861 -0.745 17603 8931 1 10 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.784 -0.066 17603 8932 1 10 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.137 -0.197 17603 8933 1 10 . 1 1 94 94 VAL H H 94 7.580 7.580 7.586 -0.006 17603 8934 1 10 . 1 1 95 95 ARG N N 95 119.108 119.108 118.654 0.454 17603 8935 1 10 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.665 -0.385 17603 8936 1 10 . 1 1 95 95 ARG C C 95 178.366 178.366 178.739 -0.373 17603 8937 1 10 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.407 1.007 17603 8938 1 10 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.973 0.450 17603 8939 1 10 . 1 1 95 95 ARG H H 95 7.729 7.729 8.104 -0.375 17603 8940 1 10 . 1 1 96 96 ARG N N 96 118.307 118.307 119.586 -1.279 17603 8941 1 10 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.983 -0.329 17603 8942 1 10 . 1 1 96 96 ARG C C 96 177.841 177.841 178.403 -0.562 17603 8943 1 10 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.398 1.260 17603 8944 1 10 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.695 0.816 17603 8945 1 10 . 1 1 96 96 ARG H H 96 8.638 8.638 8.396 0.242 17603 8946 1 10 . 1 1 97 97 ALA N N 97 120.196 120.196 121.347 -1.151 17603 8947 1 10 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.008 -0.021 17603 8948 1 10 . 1 1 97 97 ALA C C 97 178.768 178.768 178.895 -0.127 17603 8949 1 10 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.138 0.096 17603 8950 1 10 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.234 0.020 17603 8951 1 10 . 1 1 97 97 ALA H H 97 7.019 7.019 7.457 -0.438 17603 8952 1 10 . 1 1 98 98 ALA N N 98 119.143 119.143 121.201 -2.058 17603 8953 1 10 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.784 -0.212 17603 8954 1 10 . 1 1 98 98 ALA C C 98 177.328 177.328 179.136 -1.808 17603 8955 1 10 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.572 0.865 17603 8956 1 10 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.537 -1.643 17603 8957 1 10 . 1 1 98 98 ALA H H 98 7.097 7.097 7.257 -0.160 17603 8958 1 10 . 1 1 99 99 ALA N N 99 119.971 119.971 121.146 -1.175 17603 8959 1 10 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.181 -0.585 17603 8960 1 10 . 1 1 99 99 ALA C C 99 178.026 178.026 179.571 -1.545 17603 8961 1 10 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.188 0.196 17603 8962 1 10 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.848 -0.430 17603 8963 1 10 . 1 1 99 99 ALA H H 99 7.665 7.665 7.647 0.018 17603 8964 1 10 . 1 1 100 100 ILE N N 100 116.372 116.372 118.452 -2.080 17603 8965 1 10 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.528 -0.196 17603 8966 1 10 . 1 1 100 100 ILE C C 100 177.103 177.103 177.950 -0.847 17603 8967 1 10 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.548 -0.890 17603 8968 1 10 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.733 -0.721 17603 8969 1 10 . 1 1 100 100 ILE H H 100 8.110 8.110 8.262 -0.152 17603 8970 1 10 . 1 1 101 101 ASN N N 101 116.550 116.550 117.885 -1.335 17603 8971 1 10 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.332 -0.445 17603 8972 1 10 . 1 1 101 101 ASN C C 101 177.350 177.350 177.332 0.018 17603 8973 1 10 . 1 1 101 101 ASN CA C 101 57.096 57.096 56.342 0.754 17603 8974 1 10 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.731 0.191 17603 8975 1 10 . 1 1 101 101 ASN H H 101 8.098 8.098 8.217 -0.119 17603 8976 1 10 . 1 1 102 102 MET N N 102 114.177 114.177 118.795 -4.618 17603 8977 1 10 . 1 1 102 102 MET HA H 102 3.746 3.746 4.034 -0.288 17603 8978 1 10 . 1 1 102 102 MET C C 102 177.507 177.507 177.593 -0.086 17603 8979 1 10 . 1 1 102 102 MET CA C 102 60.473 60.473 57.655 2.818 17603 8980 1 10 . 1 1 102 102 MET CB C 102 33.218 33.218 32.568 0.650 17603 8981 1 10 . 1 1 102 102 MET H H 102 7.647 7.647 8.010 -0.363 17603 8982 1 10 . 1 1 103 103 VAL N N 103 107.836 107.836 111.808 -3.972 17603 8983 1 10 . 1 1 103 103 VAL HA H 103 4.198 4.198 4.560 -0.362 17603 8984 1 10 . 1 1 103 103 VAL C C 103 175.893 175.893 175.899 -0.006 17603 8985 1 10 . 1 1 103 103 VAL CA C 103 60.939 60.939 61.529 -0.590 17603 8986 1 10 . 1 1 103 103 VAL CB C 103 31.098 31.098 31.677 -0.579 17603 8987 1 10 . 1 1 103 103 VAL H H 103 7.332 7.332 7.349 -0.017 17603 8988 1 10 . 1 1 104 104 PHE N N 104 125.985 125.985 121.041 4.944 17603 8989 1 10 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.233 -0.126 17603 8990 1 10 . 1 1 104 104 PHE C C 104 176.884 176.884 175.885 0.999 17603 8991 1 10 . 1 1 104 104 PHE CA C 104 60.915 60.915 60.887 0.028 17603 8992 1 10 . 1 1 104 104 PHE CB C 104 39.768 39.768 40.108 -0.340 17603 8993 1 10 . 1 1 104 104 PHE H H 104 7.978 7.978 7.573 0.405 17603 8994 1 10 . 1 1 105 105 GLN N N 105 120.302 120.302 116.214 4.088 17603 8995 1 10 . 1 1 105 105 GLN HA H 105 3.510 3.510 4.231 -0.721 17603 8996 1 10 . 1 1 105 105 GLN C C 105 174.976 174.976 176.059 -1.083 17603 8997 1 10 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.201 1.529 17603 8998 1 10 . 1 1 105 105 GLN CB C 105 27.304 27.304 30.226 -2.921 17603 8999 1 10 . 1 1 105 105 GLN H H 105 8.448 8.448 7.419 1.029 17603 9000 1 10 . 1 1 106 106 MET N N 106 117.189 117.189 119.740 -2.551 17603 9001 1 10 . 1 1 106 106 MET HA H 106 4.184 4.184 4.384 -0.200 17603 9002 1 10 . 1 1 106 106 MET C C 106 176.961 176.961 176.650 0.311 17603 9003 1 10 . 1 1 106 106 MET CA C 106 54.873 54.873 54.777 0.096 17603 9004 1 10 . 1 1 106 106 MET CB C 106 30.057 30.057 32.118 -2.061 17603 9005 1 10 . 1 1 106 106 MET H H 106 8.987 8.987 7.701 1.286 17603 9006 1 10 . 1 1 107 107 GLY N N 107 107.787 107.787 111.178 -3.391 17603 9007 1 10 . 1 1 107 107 GLY C C 107 174.999 174.999 175.170 -0.171 17603 9008 1 10 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.477 1.742 17603 9009 1 10 . 1 1 107 107 GLY H H 107 7.777 7.777 8.364 -0.587 17603 9010 1 10 . 1 1 108 108 GLU N N 108 123.604 123.604 119.828 3.776 17603 9011 1 10 . 1 1 108 108 GLU HA H 108 3.984 3.984 3.929 0.055 17603 9012 1 10 . 1 1 108 108 GLU C C 108 179.574 179.574 178.689 0.885 17603 9013 1 10 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.976 -0.032 17603 9014 1 10 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.343 0.596 17603 9015 1 10 . 1 1 108 108 GLU H H 108 8.779 8.779 8.843 -0.064 17603 9016 1 10 . 1 1 109 109 THR N N 109 111.822 111.822 113.827 -2.005 17603 9017 1 10 . 1 1 109 109 THR HA H 109 4.176 4.176 4.081 0.095 17603 9018 1 10 . 1 1 109 109 THR C C 109 178.459 178.459 176.433 2.026 17603 9019 1 10 . 1 1 109 109 THR CA C 109 65.535 65.535 66.562 -1.027 17603 9020 1 10 . 1 1 109 109 THR CB C 109 67.945 67.945 68.272 -0.327 17603 9021 1 10 . 1 1 109 109 THR H H 109 8.576 8.576 8.161 0.415 17603 9022 1 10 . 1 1 110 110 GLY N N 110 115.113 115.113 108.595 6.518 17603 9023 1 10 . 1 1 110 110 GLY C C 110 175.653 175.653 175.662 -0.009 17603 9024 1 10 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.151 1.066 17603 9025 1 10 . 1 1 110 110 GLY H H 110 8.521 8.521 7.678 0.843 17603 9026 1 10 . 1 1 111 111 VAL N N 111 120.852 120.852 123.423 -2.571 17603 9027 1 10 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.730 -0.209 17603 9028 1 10 . 1 1 111 111 VAL C C 111 179.689 179.689 177.602 2.087 17603 9029 1 10 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.178 0.876 17603 9030 1 10 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.638 0.194 17603 9031 1 10 . 1 1 111 111 VAL H H 111 8.048 8.048 8.108 -0.060 17603 9032 1 10 . 1 1 112 112 ALA N N 112 124.525 124.525 122.381 2.144 17603 9033 1 10 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.056 0.086 17603 9034 1 10 . 1 1 112 112 ALA C C 112 179.412 179.412 178.534 0.878 17603 9035 1 10 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.258 0.165 17603 9036 1 10 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.204 0.053 17603 9037 1 10 . 1 1 112 112 ALA H H 112 8.255 8.255 8.100 0.155 17603 9038 1 10 . 1 1 113 113 ALA N N 113 120.490 120.490 120.111 0.379 17603 9039 1 10 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.345 -0.163 17603 9040 1 10 . 1 1 113 113 ALA C C 113 179.965 179.965 179.954 0.011 17603 9041 1 10 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.040 0.930 17603 9042 1 10 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.844 -0.781 17603 9043 1 10 . 1 1 113 113 ALA H H 113 7.861 7.861 7.647 0.214 17603 9044 1 10 . 1 1 114 114 PHE N N 114 120.157 120.157 120.310 -0.153 17603 9045 1 10 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.272 -0.215 17603 9046 1 10 . 1 1 114 114 PHE C C 114 177.765 177.765 177.394 0.371 17603 9047 1 10 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.077 -0.144 17603 9048 1 10 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.950 0.174 17603 9049 1 10 . 1 1 114 114 PHE H H 114 8.126 8.126 8.574 -0.448 17603 9050 1 10 . 1 1 115 115 THR N N 115 114.478 114.478 115.718 -1.240 17603 9051 1 10 . 1 1 115 115 THR HA H 115 3.470 3.470 3.861 -0.391 17603 9052 1 10 . 1 1 115 115 THR C C 115 176.924 176.924 176.679 0.245 17603 9053 1 10 . 1 1 115 115 THR CA C 115 67.000 67.000 66.810 0.190 17603 9054 1 10 . 1 1 115 115 THR CB C 115 68.320 68.320 68.359 -0.039 17603 9055 1 10 . 1 1 115 115 THR H H 115 8.504 8.504 8.606 -0.102 17603 9056 1 10 . 1 1 116 116 ASN N N 116 119.632 119.632 119.242 0.390 17603 9057 1 10 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.601 -0.101 17603 9058 1 10 . 1 1 116 116 ASN C C 116 176.009 176.009 176.162 -0.153 17603 9059 1 10 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.169 2.074 17603 9060 1 10 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.236 0.364 17603 9061 1 10 . 1 1 116 116 ASN H H 116 8.337 8.337 7.889 0.448 17603 9062 1 10 . 1 1 117 117 SER N N 117 112.765 112.765 113.459 -0.694 17603 9063 1 10 . 1 1 117 117 SER HA H 117 4.590 4.590 4.581 0.009 17603 9064 1 10 . 1 1 117 117 SER C C 117 174.808 174.808 174.379 0.429 17603 9065 1 10 . 1 1 117 117 SER CA C 117 59.470 59.470 58.460 1.010 17603 9066 1 10 . 1 1 117 117 SER CB C 117 64.474 64.474 64.045 0.429 17603 9067 1 10 . 1 1 117 117 SER H H 117 7.424 7.424 7.615 -0.191 17603 9068 1 10 . 1 1 118 118 LEU N N 118 122.210 122.210 122.922 -0.712 17603 9069 1 10 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.365 0.285 17603 9070 1 10 . 1 1 118 118 LEU H H 118 7.195 7.195 7.039 0.156 17603 9071 1 10 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.169 0.113 17603 9072 1 10 . 1 1 119 119 PRO C C 119 179.207 179.207 178.677 0.530 17603 9073 1 10 . 1 1 119 119 PRO CA C 119 66.239 66.239 65.979 0.260 17603 9074 1 10 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.357 -0.387 17603 9075 1 10 . 1 1 120 120 MET N N 120 112.465 112.465 115.520 -3.055 17603 9076 1 10 . 1 1 120 120 MET HA H 120 4.005 4.005 4.166 -0.161 17603 9077 1 10 . 1 1 120 120 MET C C 120 178.137 178.137 178.423 -0.286 17603 9078 1 10 . 1 1 120 120 MET CA C 120 58.747 58.747 57.701 1.046 17603 9079 1 10 . 1 1 120 120 MET CB C 120 32.510 32.510 31.400 1.110 17603 9080 1 10 . 1 1 120 120 MET H H 120 7.126 7.126 7.835 -0.709 17603 9081 1 10 . 1 1 121 121 LEU N N 121 118.534 118.534 119.963 -1.429 17603 9082 1 10 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.919 -0.078 17603 9083 1 10 . 1 1 121 121 LEU C C 121 180.140 180.140 179.800 0.340 17603 9084 1 10 . 1 1 121 121 LEU CA C 121 57.379 57.379 57.969 -0.590 17603 9085 1 10 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.238 0.899 17603 9086 1 10 . 1 1 121 121 LEU H H 121 7.695 7.695 7.849 -0.154 17603 9087 1 10 . 1 1 122 122 GLN N N 122 119.537 119.537 119.333 0.204 17603 9088 1 10 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.028 -0.166 17603 9089 1 10 . 1 1 122 122 GLN C C 122 176.722 176.722 177.776 -1.054 17603 9090 1 10 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.223 0.617 17603 9091 1 10 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.782 0.009 17603 9092 1 10 . 1 1 122 122 GLN H H 122 8.845 8.845 8.479 0.366 17603 9093 1 10 . 1 1 123 123 GLN N N 123 113.333 113.333 115.598 -2.265 17603 9094 1 10 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.206 -0.052 17603 9095 1 10 . 1 1 123 123 GLN C C 123 174.075 174.075 175.048 -0.973 17603 9096 1 10 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.553 -0.544 17603 9097 1 10 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.896 0.837 17603 9098 1 10 . 1 1 123 123 GLN H H 123 6.862 6.862 7.417 -0.555 17603 9099 1 10 . 1 1 124 124 LYS N N 124 114.431 114.431 114.525 -0.094 17603 9100 1 10 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.269 2.186 17603 9101 1 10 . 1 1 124 124 LYS C C 124 174.727 174.727 175.136 -0.409 17603 9102 1 10 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.399 0.050 17603 9103 1 10 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.833 -0.450 17603 9104 1 10 . 1 1 124 124 LYS H H 124 7.238 7.238 7.339 -0.101 17603 9105 1 10 . 1 1 125 125 ARG N N 125 119.411 119.411 118.714 0.697 17603 9106 1 10 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.178 0.082 17603 9107 1 10 . 1 1 125 125 ARG C C 125 177.251 177.251 176.345 0.906 17603 9108 1 10 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.560 -0.987 17603 9109 1 10 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.599 -0.388 17603 9110 1 10 . 1 1 125 125 ARG H H 125 7.651 7.651 7.909 -0.258 17603 9111 1 10 . 1 1 126 126 TRP N N 126 119.823 119.823 123.551 -3.728 17603 9112 1 10 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.258 0.064 17603 9113 1 10 . 1 1 126 126 TRP C C 126 178.830 178.830 177.722 1.108 17603 9114 1 10 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.460 -1.636 17603 9115 1 10 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.302 2.159 17603 9116 1 10 . 1 1 126 126 TRP H H 126 6.865 6.865 7.444 -0.579 17603 9117 1 10 . 1 1 127 127 ASP N N 127 116.894 116.894 117.699 -0.805 17603 9118 1 10 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.408 -0.008 17603 9119 1 10 . 1 1 127 127 ASP C C 127 178.748 178.748 178.526 0.222 17603 9120 1 10 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.991 -0.306 17603 9121 1 10 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.878 0.169 17603 9122 1 10 . 1 1 127 127 ASP H H 127 8.598 8.598 8.860 -0.262 17603 9123 1 10 . 1 1 128 128 GLU N N 128 120.788 120.788 120.335 0.453 17603 9124 1 10 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.027 -0.053 17603 9125 1 10 . 1 1 128 128 GLU C C 128 180.057 180.057 178.231 1.826 17603 9126 1 10 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.081 0.445 17603 9127 1 10 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.769 1.102 17603 9128 1 10 . 1 1 128 128 GLU H H 128 8.191 8.191 8.378 -0.187 17603 9129 1 10 . 1 1 129 129 ALA N N 129 122.103 122.103 121.999 0.104 17603 9130 1 10 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.990 -0.020 17603 9131 1 10 . 1 1 129 129 ALA C C 129 178.495 178.495 179.693 -1.198 17603 9132 1 10 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.105 -0.062 17603 9133 1 10 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.157 -0.386 17603 9134 1 10 . 1 1 129 129 ALA H H 129 8.587 8.587 8.541 0.046 17603 9135 1 10 . 1 1 130 130 ALA N N 130 119.336 119.336 121.226 -1.890 17603 9136 1 10 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.957 0.086 17603 9137 1 10 . 1 1 130 130 ALA C C 130 179.804 179.804 179.682 0.122 17603 9138 1 10 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.160 0.658 17603 9139 1 10 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.492 0.404 17603 9140 1 10 . 1 1 130 130 ALA H H 130 8.235 8.235 8.064 0.171 17603 9141 1 10 . 1 1 131 131 VAL N N 131 118.685 118.685 118.435 0.250 17603 9142 1 10 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.424 0.155 17603 9143 1 10 . 1 1 131 131 VAL C C 131 178.078 178.078 178.284 -0.206 17603 9144 1 10 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.575 -0.256 17603 9145 1 10 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.526 0.609 17603 9146 1 10 . 1 1 131 131 VAL H H 131 7.697 7.697 8.171 -0.474 17603 9147 1 10 . 1 1 132 132 ASN N N 132 118.648 118.648 117.945 0.703 17603 9148 1 10 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.488 -0.227 17603 9149 1 10 . 1 1 132 132 ASN C C 132 178.965 178.965 178.577 0.388 17603 9150 1 10 . 1 1 132 132 ASN CA C 132 57.172 57.172 55.675 1.497 17603 9151 1 10 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.171 1.627 17603 9152 1 10 . 1 1 132 132 ASN H H 132 7.569 7.569 8.073 -0.504 17603 9153 1 10 . 1 1 133 133 LEU N N 133 120.750 120.750 120.983 -0.233 17603 9154 1 10 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.241 -0.015 17603 9155 1 10 . 1 1 133 133 LEU C C 133 179.956 179.956 178.878 1.078 17603 9156 1 10 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.753 0.324 17603 9157 1 10 . 1 1 133 133 LEU CB C 133 44.013 44.013 41.829 2.184 17603 9158 1 10 . 1 1 133 133 LEU H H 133 8.903 8.903 8.499 0.404 17603 9159 1 10 . 1 1 134 134 ALA N N 134 121.339 121.339 118.331 3.008 17603 9160 1 10 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.375 0.277 17603 9161 1 10 . 1 1 134 134 ALA C C 134 176.582 176.582 177.062 -0.480 17603 9162 1 10 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.358 -0.162 17603 9163 1 10 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.057 -0.521 17603 9164 1 10 . 1 1 134 134 ALA H H 134 7.681 7.681 7.369 0.312 17603 9165 1 10 . 1 1 135 135 LYS N N 135 116.197 116.197 116.322 -0.125 17603 9166 1 10 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.308 0.062 17603 9167 1 10 . 1 1 135 135 LYS C C 135 176.573 176.573 176.754 -0.181 17603 9168 1 10 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.737 -0.173 17603 9169 1 10 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.738 -0.042 17603 9170 1 10 . 1 1 135 135 LYS H H 135 7.168 7.168 7.378 -0.210 17603 9171 1 10 . 1 1 136 136 SER N N 136 115.115 115.115 115.082 0.033 17603 9172 1 10 . 1 1 136 136 SER HA H 136 4.503 4.503 4.577 -0.074 17603 9173 1 10 . 1 1 136 136 SER C C 136 174.968 174.968 175.763 -0.795 17603 9174 1 10 . 1 1 136 136 SER CA C 136 58.565 58.565 56.903 1.662 17603 9175 1 10 . 1 1 136 136 SER CB C 136 66.690 66.690 65.663 1.027 17603 9176 1 10 . 1 1 136 136 SER H H 136 7.546 7.546 7.723 -0.177 17603 9177 1 10 . 1 1 137 137 ARG N N 137 122.827 122.827 123.148 -0.321 17603 9178 1 10 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.184 0.013 17603 9179 1 10 . 1 1 137 137 ARG C C 137 178.570 178.570 178.136 0.434 17603 9180 1 10 . 1 1 137 137 ARG CA C 137 59.338 59.338 59.736 -0.398 17603 9181 1 10 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.137 -0.345 17603 9182 1 10 . 1 1 137 137 ARG H H 137 8.786 8.786 9.020 -0.234 17603 9183 1 10 . 1 1 138 138 TRP N N 138 119.297 119.297 121.532 -2.235 17603 9184 1 10 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.420 -0.342 17603 9185 1 10 . 1 1 138 138 TRP C C 138 176.101 176.101 177.355 -1.254 17603 9186 1 10 . 1 1 138 138 TRP CA C 138 61.807 61.807 59.256 2.551 17603 9187 1 10 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.190 -0.415 17603 9188 1 10 . 1 1 138 138 TRP H H 138 8.256 8.256 8.048 0.208 17603 9189 1 10 . 1 1 139 139 TYR N N 139 117.950 117.950 119.698 -1.748 17603 9190 1 10 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.763 -0.647 17603 9191 1 10 . 1 1 139 139 TYR C C 139 175.615 175.615 176.955 -1.340 17603 9192 1 10 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.295 -0.495 17603 9193 1 10 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.473 0.343 17603 9194 1 10 . 1 1 139 139 TYR H H 139 7.786 7.786 7.917 -0.131 17603 9195 1 10 . 1 1 140 140 ASN N N 140 111.511 111.511 116.678 -5.167 17603 9196 1 10 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.509 -0.258 17603 9197 1 10 . 1 1 140 140 ASN C C 140 176.804 176.804 176.715 0.089 17603 9198 1 10 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.329 0.030 17603 9199 1 10 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.380 1.210 17603 9200 1 10 . 1 1 140 140 ASN H H 140 7.115 7.115 8.106 -0.991 17603 9201 1 10 . 1 1 141 141 GLN N N 141 117.466 117.466 119.499 -2.033 17603 9202 1 10 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.225 -0.112 17603 9203 1 10 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.811 -0.082 17603 9204 1 10 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.928 -0.281 17603 9205 1 10 . 1 1 141 141 GLN H H 141 7.855 7.855 7.984 -0.129 17603 9206 1 10 . 1 1 142 142 THR N N 142 110.630 110.630 113.255 -2.625 17603 9207 1 10 . 1 1 142 142 THR CA C 142 56.326 56.326 59.823 -3.497 17603 9208 1 10 . 1 1 142 142 THR CB C 142 69.490 69.490 69.769 -0.279 17603 9209 1 10 . 1 1 142 142 THR H H 142 6.964 6.964 7.799 -0.835 17603 9210 1 10 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.579 0.082 17603 9211 1 10 . 1 1 143 143 PRO C C 143 178.494 178.494 177.730 0.764 17603 9212 1 10 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.212 1.400 17603 9213 1 10 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.524 0.348 17603 9214 1 10 . 1 1 144 144 ASN N N 144 116.334 116.334 116.518 -0.184 17603 9215 1 10 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.369 -0.054 17603 9216 1 10 . 1 1 144 144 ASN C C 144 177.341 177.341 176.199 1.142 17603 9217 1 10 . 1 1 144 144 ASN CA C 144 56.668 56.668 55.669 0.999 17603 9218 1 10 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.634 0.032 17603 9219 1 10 . 1 1 144 144 ASN H H 144 7.971 7.971 8.553 -0.582 17603 9220 1 10 . 1 1 145 145 ARG N N 145 121.642 121.642 117.504 4.138 17603 9221 1 10 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.431 -0.501 17603 9222 1 10 . 1 1 145 145 ARG C C 145 177.087 177.087 177.797 -0.710 17603 9223 1 10 . 1 1 145 145 ARG CA C 145 58.135 58.135 58.280 -0.145 17603 9224 1 10 . 1 1 145 145 ARG CB C 145 31.455 31.455 31.165 0.290 17603 9225 1 10 . 1 1 145 145 ARG H H 145 7.750 7.750 7.291 0.459 17603 9226 1 10 . 1 1 146 146 ALA N N 146 119.316 119.316 123.290 -3.974 17603 9227 1 10 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.256 -0.398 17603 9228 1 10 . 1 1 146 146 ALA C C 146 179.664 179.664 179.033 0.631 17603 9229 1 10 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.303 0.238 17603 9230 1 10 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.163 1.852 17603 9231 1 10 . 1 1 146 146 ALA H H 146 8.429 8.429 7.747 0.682 17603 9232 1 10 . 1 1 147 147 LYS N N 147 116.714 116.714 118.252 -1.538 17603 9233 1 10 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.063 -0.022 17603 9234 1 10 . 1 1 147 147 LYS C C 147 179.974 179.974 179.130 0.844 17603 9235 1 10 . 1 1 147 147 LYS CA C 147 60.729 60.729 60.205 0.524 17603 9236 1 10 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.185 0.603 17603 9237 1 10 . 1 1 147 147 LYS H H 147 8.253 8.253 7.850 0.403 17603 9238 1 10 . 1 1 148 148 ARG N N 148 119.234 119.234 119.577 -0.343 17603 9239 1 10 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.935 -0.102 17603 9240 1 10 . 1 1 148 148 ARG C C 148 180.146 180.146 178.848 1.298 17603 9241 1 10 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.141 1.652 17603 9242 1 10 . 1 1 148 148 ARG CB C 148 30.238 30.238 29.932 0.306 17603 9243 1 10 . 1 1 148 148 ARG H H 148 7.279 7.279 7.672 -0.393 17603 9244 1 10 . 1 1 149 149 VAL N N 149 125.307 125.307 120.483 4.824 17603 9245 1 10 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.779 -0.322 17603 9246 1 10 . 1 1 149 149 VAL C C 149 178.460 178.460 178.303 0.157 17603 9247 1 10 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.600 1.568 17603 9248 1 10 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.978 0.477 17603 9249 1 10 . 1 1 149 149 VAL H H 149 8.816 8.816 7.668 1.148 17603 9250 1 10 . 1 1 150 150 ILE N N 150 121.097 121.097 120.954 0.143 17603 9251 1 10 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.935 -0.049 17603 9252 1 10 . 1 1 150 150 ILE C C 150 178.378 178.378 178.163 0.215 17603 9253 1 10 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.858 1.510 17603 9254 1 10 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.861 -0.162 17603 9255 1 10 . 1 1 150 150 ILE H H 150 9.547 9.547 8.892 0.655 17603 9256 1 10 . 1 1 151 151 THR N N 151 117.959 117.959 116.799 1.160 17603 9257 1 10 . 1 1 151 151 THR HA H 151 3.933 3.933 4.034 -0.101 17603 9258 1 10 . 1 1 151 151 THR C C 151 176.283 176.283 176.561 -0.278 17603 9259 1 10 . 1 1 151 151 THR CA C 151 67.403 67.403 67.645 -0.242 17603 9260 1 10 . 1 1 151 151 THR CB C 151 68.172 68.172 68.350 -0.178 17603 9261 1 10 . 1 1 151 151 THR H H 151 8.444 8.444 8.527 -0.083 17603 9262 1 10 . 1 1 152 152 THR N N 152 122.010 122.010 119.758 2.252 17603 9263 1 10 . 1 1 152 152 THR HA H 152 3.944 3.944 4.198 -0.254 17603 9264 1 10 . 1 1 152 152 THR C C 152 176.671 176.671 176.313 0.358 17603 9265 1 10 . 1 1 152 152 THR CA C 152 67.498 67.498 66.887 0.611 17603 9266 1 10 . 1 1 152 152 THR H H 152 7.964 7.964 7.772 0.192 17603 9267 1 10 . 1 1 153 153 PHE N N 153 120.387 120.387 121.288 -0.901 17603 9268 1 10 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.115 -0.162 17603 9269 1 10 . 1 1 153 153 PHE C C 153 178.321 178.321 177.426 0.895 17603 9270 1 10 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.732 0.977 17603 9271 1 10 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.428 0.912 17603 9272 1 10 . 1 1 153 153 PHE H H 153 8.375 8.375 8.265 0.110 17603 9273 1 10 . 1 1 154 154 ARG N N 154 118.015 118.015 119.603 -1.588 17603 9274 1 10 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.183 -0.113 17603 9275 1 10 . 1 1 154 154 ARG C C 154 178.076 178.076 178.508 -0.432 17603 9276 1 10 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.926 0.436 17603 9277 1 10 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.578 0.968 17603 9278 1 10 . 1 1 154 154 ARG H H 154 8.795 8.795 8.434 0.361 17603 9279 1 10 . 1 1 155 155 THR N N 155 104.622 104.622 108.828 -4.206 17603 9280 1 10 . 1 1 155 155 THR HA H 155 4.252 4.252 4.301 -0.049 17603 9281 1 10 . 1 1 155 155 THR C C 155 176.765 176.765 175.756 1.009 17603 9282 1 10 . 1 1 155 155 THR CA C 155 62.470 62.470 62.124 0.346 17603 9283 1 10 . 1 1 155 155 THR CB C 155 71.330 71.330 69.921 1.409 17603 9284 1 10 . 1 1 155 155 THR H H 155 8.169 8.169 7.913 0.256 17603 9285 1 10 . 1 1 156 156 GLY N N 156 111.689 111.689 112.336 -0.647 17603 9286 1 10 . 1 1 156 156 GLY C C 156 172.933 172.933 174.176 -1.243 17603 9287 1 10 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.929 0.238 17603 9288 1 10 . 1 1 156 156 GLY H H 156 8.491 8.491 8.025 0.466 17603 9289 1 10 . 1 1 157 157 THR N N 157 108.301 108.301 110.550 -2.249 17603 9290 1 10 . 1 1 157 157 THR HA H 157 4.637 4.637 4.374 0.263 17603 9291 1 10 . 1 1 157 157 THR C C 157 174.086 174.086 173.035 1.051 17603 9292 1 10 . 1 1 157 157 THR CA C 157 58.748 58.748 59.385 -0.637 17603 9293 1 10 . 1 1 157 157 THR CB C 157 72.418 72.418 71.529 0.889 17603 9294 1 10 . 1 1 157 157 THR H H 157 7.603 7.603 7.257 0.346 17603 9295 1 10 . 1 1 158 158 TRP N N 158 118.038 118.038 119.702 -1.664 17603 9296 1 10 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.944 0.120 17603 9297 1 10 . 1 1 158 158 TRP C C 158 177.922 177.922 176.870 1.052 17603 9298 1 10 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.467 -0.121 17603 9299 1 10 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.354 0.425 17603 9300 1 10 . 1 1 158 158 TRP H H 158 8.602 8.602 8.602 0.000 17603 9301 1 10 . 1 1 159 159 ASP N N 159 119.620 119.620 122.148 -2.528 17603 9302 1 10 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.456 -0.263 17603 9303 1 10 . 1 1 159 159 ASP C C 159 177.407 177.407 178.093 -0.686 17603 9304 1 10 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.611 1.168 17603 9305 1 10 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.243 0.431 17603 9306 1 10 . 1 1 159 159 ASP H H 159 7.909 7.909 7.841 0.068 17603 9307 1 10 . 1 1 160 160 ALA N N 160 119.985 119.985 121.161 -1.176 17603 9308 1 10 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.170 0.031 17603 9309 1 10 . 1 1 160 160 ALA C C 160 177.362 177.362 177.920 -0.558 17603 9310 1 10 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.650 0.079 17603 9311 1 10 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.504 0.114 17603 9312 1 10 . 1 1 160 160 ALA H H 160 9.187 9.187 8.327 0.860 17603 9313 1 10 . 1 1 161 161 TYR N N 161 113.735 113.735 113.283 0.452 17603 9314 1 10 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.645 -0.398 17603 9315 1 10 . 1 1 161 161 TYR C C 161 175.125 175.125 177.435 -2.310 17603 9316 1 10 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.193 0.716 17603 9317 1 10 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.379 0.477 17603 9318 1 10 . 1 1 161 161 TYR H H 161 8.061 8.061 8.001 0.060 17603 9319 1 10 . 1 1 162 162 LYS N N 162 119.491 119.491 120.363 -0.872 17603 9320 1 10 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.233 -0.084 17603 9321 1 10 . 1 1 162 162 LYS C C 162 176.030 176.030 177.881 -1.851 17603 9322 1 10 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.395 -0.937 17603 9323 1 10 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.205 -3.077 17603 9324 1 10 . 1 1 162 162 LYS H H 162 7.262 7.262 7.665 -0.403 17603 9325 1 10 . 1 1 163 163 ASN N N 163 117.131 117.131 115.965 1.166 17603 9326 1 10 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.683 -0.093 17603 9327 1 10 . 1 1 163 163 ASN C C 163 173.691 173.691 175.327 -1.636 17603 9328 1 10 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.507 0.377 17603 9329 1 10 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.062 -0.921 17603 9330 1 10 . 1 1 163 163 ASN H H 163 8.457 8.457 8.408 0.049 17603 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 158 2.282 0.499 2.234 17603 2 1 1 "Average Difference" HA 167 0.289 0.032 0.288 17603 3 1 1 "Average Difference" C 157 1.128 0.042 1.131 17603 4 1 1 "Average Difference" CA 161 0.901 -0.177 0.886 17603 5 1 1 "Average Difference" CB 151 0.919 -0.131 0.912 17603 6 1 1 "Average Difference" HN 158 0.419 0.033 0.419 17603 7 1 2 "Average Difference" N 158 2.330 0.476 2.288 17603 8 1 2 "Average Difference" HA 167 0.280 0.022 0.280 17603 9 1 2 "Average Difference" C 157 1.133 0.019 1.137 17603 10 1 2 "Average Difference" CA 161 0.928 -0.188 0.912 17603 11 1 2 "Average Difference" CB 151 0.944 -0.137 0.938 17603 12 1 2 "Average Difference" HN 158 0.412 0.051 0.410 17603 13 1 3 "Average Difference" N 158 2.196 0.415 2.163 17603 14 1 3 "Average Difference" HA 167 0.291 0.030 0.290 17603 15 1 3 "Average Difference" C 157 1.152 -0.005 1.156 17603 16 1 3 "Average Difference" CA 161 0.914 -0.197 0.896 17603 17 1 3 "Average Difference" CB 151 0.947 -0.128 0.942 17603 18 1 3 "Average Difference" HN 158 0.408 0.043 0.407 17603 19 1 4 "Average Difference" N 158 2.265 0.433 2.230 17603 20 1 4 "Average Difference" HA 167 0.296 0.034 0.294 17603 21 1 4 "Average Difference" C 157 1.119 -0.001 1.123 17603 22 1 4 "Average Difference" CA 161 0.922 -0.205 0.902 17603 23 1 4 "Average Difference" CB 151 0.889 -0.132 0.882 17603 24 1 4 "Average Difference" HN 158 0.412 0.028 0.413 17603 25 1 5 "Average Difference" N 158 2.211 0.418 2.178 17603 26 1 5 "Average Difference" HA 167 0.288 0.032 0.287 17603 27 1 5 "Average Difference" C 157 1.129 0.022 1.133 17603 28 1 5 "Average Difference" CA 161 0.963 -0.220 0.940 17603 29 1 5 "Average Difference" CB 151 0.911 -0.133 0.905 17603 30 1 5 "Average Difference" HN 158 0.413 0.028 0.413 17603 31 1 6 "Average Difference" N 158 2.291 0.389 2.265 17603 32 1 6 "Average Difference" HA 167 0.295 0.025 0.295 17603 33 1 6 "Average Difference" C 157 1.110 0.021 1.113 17603 34 1 6 "Average Difference" CA 161 0.914 -0.197 0.896 17603 35 1 6 "Average Difference" CB 151 0.868 -0.096 0.866 17603 36 1 6 "Average Difference" HN 158 0.414 0.037 0.414 17603 37 1 7 "Average Difference" N 158 2.320 0.483 2.276 17603 38 1 7 "Average Difference" HA 167 0.290 0.024 0.290 17603 39 1 7 "Average Difference" C 157 1.130 0.034 1.133 17603 40 1 7 "Average Difference" CA 161 0.923 -0.221 0.899 17603 41 1 7 "Average Difference" CB 151 0.910 -0.139 0.902 17603 42 1 7 "Average Difference" HN 158 0.419 0.045 0.418 17603 43 1 8 "Average Difference" N 158 2.355 0.499 2.309 17603 44 1 8 "Average Difference" HA 167 0.282 0.029 0.282 17603 45 1 8 "Average Difference" C 157 1.127 0.016 1.130 17603 46 1 8 "Average Difference" CA 161 0.926 -0.198 0.907 17603 47 1 8 "Average Difference" CB 151 0.919 -0.123 0.914 17603 48 1 8 "Average Difference" HN 158 0.425 0.031 0.425 17603 49 1 9 "Average Difference" N 158 2.323 0.525 2.270 17603 50 1 9 "Average Difference" HA 167 0.285 0.032 0.284 17603 51 1 9 "Average Difference" C 157 1.130 0.038 1.133 17603 52 1 9 "Average Difference" CA 161 0.945 -0.184 0.930 17603 53 1 9 "Average Difference" CB 151 0.921 -0.134 0.914 17603 54 1 9 "Average Difference" HN 158 0.417 0.036 0.416 17603 55 1 10 "Average Difference" N 158 2.386 0.445 2.352 17603 56 1 10 "Average Difference" HA 167 0.295 0.040 0.294 17603 57 1 10 "Average Difference" C 157 1.116 0.021 1.119 17603 58 1 10 "Average Difference" CA 161 0.917 -0.215 0.894 17603 59 1 10 "Average Difference" CB 151 0.893 -0.083 0.893 17603 60 1 10 "Average Difference" HN 158 0.432 0.017 0.433 17603 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 17603 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASN N N 2 115.826 115.826 119.743 -3.917 17603 2 1 . 1 1 2 2 ASN HA H 2 4.467 4.467 4.579 -0.112 17603 3 1 . 1 1 2 2 ASN C C 2 174.640 174.640 174.572 0.068 17603 4 1 . 1 1 2 2 ASN CA C 2 51.914 51.914 52.062 -0.148 17603 5 1 . 1 1 2 2 ASN CB C 2 40.244 40.244 40.050 0.194 17603 6 1 . 1 1 2 2 ASN H H 2 6.923 6.923 7.737 -0.814 17603 7 1 . 1 1 3 3 ILE N N 3 116.880 116.880 119.956 -3.076 17603 8 1 . 1 1 3 3 ILE HA H 3 4.077 4.077 3.881 0.196 17603 9 1 . 1 1 3 3 ILE C C 3 174.099 174.099 176.433 -2.334 17603 10 1 . 1 1 3 3 ILE CA C 3 61.631 61.631 62.989 -1.358 17603 11 1 . 1 1 3 3 ILE CB C 3 38.192 38.192 37.930 0.262 17603 12 1 . 1 1 3 3 ILE H H 3 8.815 8.815 8.497 0.318 17603 13 1 . 1 1 4 4 PHE N N 4 121.992 121.992 118.824 3.168 17603 14 1 . 1 1 4 4 PHE HA H 4 4.029 4.029 4.197 -0.168 17603 15 1 . 1 1 4 4 PHE C C 4 177.093 177.093 178.084 -0.990 17603 16 1 . 1 1 4 4 PHE CA C 4 61.008 61.008 62.275 -1.267 17603 17 1 . 1 1 4 4 PHE CB C 4 38.160 38.160 38.380 -0.220 17603 18 1 . 1 1 4 4 PHE H H 4 7.336 7.336 8.040 -0.704 17603 19 1 . 1 1 5 5 GLU N N 5 118.284 118.284 119.524 -1.240 17603 20 1 . 1 1 5 5 GLU HA H 5 3.781 3.781 3.915 -0.134 17603 21 1 . 1 1 5 5 GLU C C 5 178.340 178.340 179.053 -0.713 17603 22 1 . 1 1 5 5 GLU CA C 5 58.649 58.649 59.150 -0.501 17603 23 1 . 1 1 5 5 GLU CB C 5 30.356 30.356 29.378 0.978 17603 24 1 . 1 1 5 5 GLU H H 5 7.892 7.892 8.602 -0.710 17603 25 1 . 1 1 6 6 MET N N 6 118.546 118.546 120.923 -2.377 17603 26 1 . 1 1 6 6 MET HA H 6 3.314 3.314 3.793 -0.479 17603 27 1 . 1 1 6 6 MET C C 6 177.078 177.078 178.070 -0.992 17603 28 1 . 1 1 6 6 MET CA C 6 58.988 58.988 59.263 -0.275 17603 29 1 . 1 1 6 6 MET CB C 6 34.498 34.498 32.587 1.911 17603 30 1 . 1 1 6 6 MET H H 6 7.946 7.946 8.392 -0.446 17603 31 1 . 1 1 7 7 LEU N N 7 116.516 116.516 118.314 -1.798 17603 32 1 . 1 1 7 7 LEU HA H 7 3.968 3.968 3.939 0.029 17603 33 1 . 1 1 7 7 LEU C C 7 178.579 178.579 178.757 -0.178 17603 34 1 . 1 1 7 7 LEU CA C 7 57.605 57.605 57.464 0.141 17603 35 1 . 1 1 7 7 LEU CB C 7 41.894 41.894 41.307 0.588 17603 36 1 . 1 1 7 7 LEU H H 7 7.969 7.969 8.228 -0.259 17603 37 1 . 1 1 8 8 ARG N N 8 120.793 120.793 120.041 0.752 17603 38 1 . 1 1 8 8 ARG HA H 8 3.559 3.559 3.844 -0.285 17603 39 1 . 1 1 8 8 ARG C C 8 180.018 180.018 178.811 1.207 17603 40 1 . 1 1 8 8 ARG CA C 8 60.246 60.246 58.450 1.796 17603 41 1 . 1 1 8 8 ARG CB C 8 29.518 29.518 29.324 0.195 17603 42 1 . 1 1 8 8 ARG H H 8 8.161 8.161 8.128 0.033 17603 43 1 . 1 1 9 9 ILE N N 9 120.805 120.805 118.633 2.172 17603 44 1 . 1 1 9 9 ILE HA H 9 3.573 3.573 3.781 -0.207 17603 45 1 . 1 1 9 9 ILE C C 9 177.878 177.878 177.316 0.562 17603 46 1 . 1 1 9 9 ILE CA C 9 65.276 65.276 64.850 0.426 17603 47 1 . 1 1 9 9 ILE CB C 9 38.273 38.273 38.050 0.223 17603 48 1 . 1 1 9 9 ILE H H 9 7.628 7.628 7.960 -0.332 17603 49 1 . 1 1 10 10 ASP N N 10 118.172 118.172 117.805 0.367 17603 50 1 . 1 1 10 10 ASP HA H 10 4.406 4.406 4.629 -0.223 17603 51 1 . 1 1 10 10 ASP C C 10 178.041 178.041 178.161 -0.120 17603 52 1 . 1 1 10 10 ASP CA C 10 58.294 58.294 56.784 1.510 17603 53 1 . 1 1 10 10 ASP CB C 10 41.871 41.871 41.141 0.730 17603 54 1 . 1 1 10 10 ASP H H 10 7.999 7.999 7.992 0.007 17603 55 1 . 1 1 11 11 GLU N N 11 115.562 115.562 115.999 -0.437 17603 56 1 . 1 1 11 11 GLU HA H 11 4.641 4.641 4.563 0.078 17603 57 1 . 1 1 11 11 GLU C C 11 178.197 178.197 177.411 0.786 17603 58 1 . 1 1 11 11 GLU CA C 11 56.104 56.104 56.093 0.011 17603 59 1 . 1 1 11 11 GLU CB C 11 31.095 31.095 31.406 -0.311 17603 60 1 . 1 1 11 11 GLU H H 11 8.855 8.855 8.279 0.576 17603 61 1 . 1 1 12 12 GLY N N 12 109.971 109.971 108.593 1.378 17603 62 1 . 1 1 12 12 GLY C C 12 170.049 170.049 171.902 -1.853 17603 63 1 . 1 1 12 12 GLY CA C 12 44.694 44.694 44.998 -0.304 17603 64 1 . 1 1 12 12 GLY H H 12 7.550 7.550 7.945 -0.395 17603 65 1 . 1 1 13 13 LEU N N 13 117.547 117.547 121.384 -3.837 17603 66 1 . 1 1 13 13 LEU HA H 13 4.458 4.458 5.036 -0.578 17603 67 1 . 1 1 13 13 LEU C C 13 175.566 175.566 175.151 0.415 17603 68 1 . 1 1 13 13 LEU CA C 13 54.572 54.572 54.486 0.086 17603 69 1 . 1 1 13 13 LEU CB C 13 43.867 43.867 44.601 -0.734 17603 70 1 . 1 1 13 13 LEU H H 13 7.755 7.755 8.208 -0.452 17603 71 1 . 1 1 14 14 ARG N N 14 126.722 126.722 125.191 1.531 17603 72 1 . 1 1 14 14 ARG HA H 14 4.685 4.685 4.657 0.028 17603 73 1 . 1 1 14 14 ARG C C 14 175.979 175.979 175.856 0.123 17603 74 1 . 1 1 14 14 ARG CA C 14 54.263 54.263 54.892 -0.629 17603 75 1 . 1 1 14 14 ARG CB C 14 32.818 32.818 32.515 0.303 17603 76 1 . 1 1 14 14 ARG H H 14 8.214 8.214 8.240 -0.026 17603 77 1 . 1 1 15 15 LEU N N 15 123.112 123.112 121.327 1.786 17603 78 1 . 1 1 15 15 LEU HA H 15 4.345 4.345 4.386 -0.041 17603 79 1 . 1 1 15 15 LEU C C 15 173.808 173.808 176.046 -2.238 17603 80 1 . 1 1 15 15 LEU CA C 15 54.773 54.773 55.071 -0.298 17603 81 1 . 1 1 15 15 LEU CB C 15 39.772 39.772 42.307 -2.535 17603 82 1 . 1 1 15 15 LEU H H 15 8.823 8.823 8.650 0.173 17603 83 1 . 1 1 16 16 LYS N N 16 115.048 115.048 119.353 -4.305 17603 84 1 . 1 1 16 16 LYS HA H 16 5.356 5.356 5.259 0.097 17603 85 1 . 1 1 16 16 LYS C C 16 176.072 176.072 176.751 -0.679 17603 86 1 . 1 1 16 16 LYS CA C 16 53.873 53.873 54.201 -0.328 17603 87 1 . 1 1 16 16 LYS CB C 16 35.961 35.961 35.227 0.733 17603 88 1 . 1 1 16 16 LYS H H 16 7.124 7.124 7.318 -0.194 17603 89 1 . 1 1 17 17 ILE N N 17 120.916 120.916 126.321 -5.405 17603 90 1 . 1 1 17 17 ILE HA H 17 4.108 4.108 4.289 -0.181 17603 91 1 . 1 1 17 17 ILE C C 17 174.826 174.826 176.489 -1.663 17603 92 1 . 1 1 17 17 ILE CA C 17 63.946 63.946 63.465 0.481 17603 93 1 . 1 1 17 17 ILE CB C 17 38.482 38.482 37.374 1.108 17603 94 1 . 1 1 17 17 ILE H H 17 7.555 7.555 8.257 -0.702 17603 95 1 . 1 1 18 18 TYR N N 18 128.021 128.021 125.978 2.043 17603 96 1 . 1 1 18 18 TYR HA H 18 5.076 5.076 5.115 -0.039 17603 97 1 . 1 1 18 18 TYR C C 18 172.698 172.698 173.524 -0.826 17603 98 1 . 1 1 18 18 TYR CA C 18 55.606 55.606 55.292 0.314 17603 99 1 . 1 1 18 18 TYR CB C 18 41.514 41.514 40.908 0.606 17603 100 1 . 1 1 18 18 TYR H H 18 9.340 9.340 9.089 0.251 17603 101 1 . 1 1 19 19 LYS N N 19 122.578 122.578 120.912 1.666 17603 102 1 . 1 1 19 19 LYS HA H 19 4.533 4.533 4.551 -0.018 17603 103 1 . 1 1 19 19 LYS C C 19 175.823 175.823 176.222 -0.399 17603 104 1 . 1 1 19 19 LYS CA C 19 55.106 55.106 55.004 0.102 17603 105 1 . 1 1 19 19 LYS CB C 19 34.220 34.220 33.871 0.349 17603 106 1 . 1 1 19 19 LYS H H 19 8.260 8.260 8.413 -0.153 17603 107 1 . 1 1 20 20 ASP N N 20 125.695 125.695 124.455 1.240 17603 108 1 . 1 1 20 20 ASP HA H 20 4.591 4.591 4.750 -0.159 17603 109 1 . 1 1 20 20 ASP C C 20 178.065 178.065 178.307 -0.242 17603 110 1 . 1 1 20 20 ASP CA C 20 52.784 52.784 53.177 -0.393 17603 111 1 . 1 1 20 20 ASP CB C 20 40.920 40.920 41.612 -0.692 17603 112 1 . 1 1 20 20 ASP H H 20 8.517 8.517 8.829 -0.312 17603 113 1 . 1 1 21 21 THR N N 21 110.206 110.206 109.537 0.669 17603 114 1 . 1 1 21 21 THR HA H 21 3.982 3.982 4.055 -0.073 17603 115 1 . 1 1 21 21 THR C C 21 175.854 175.854 175.674 0.180 17603 116 1 . 1 1 21 21 THR CA C 21 65.025 65.025 64.819 0.206 17603 117 1 . 1 1 21 21 THR CB C 21 68.796 68.796 68.820 -0.024 17603 118 1 . 1 1 21 21 THR H H 21 7.953 7.953 8.619 -0.666 17603 119 1 . 1 1 22 22 GLU N N 22 120.359 120.359 119.856 0.503 17603 120 1 . 1 1 22 22 GLU HA H 22 4.173 4.173 4.256 -0.083 17603 121 1 . 1 1 22 22 GLU C C 22 175.597 175.597 176.465 -0.868 17603 122 1 . 1 1 22 22 GLU CA C 22 56.298 56.298 55.762 0.536 17603 123 1 . 1 1 22 22 GLU CB C 22 30.353 30.353 29.860 0.493 17603 124 1 . 1 1 22 22 GLU H H 22 8.013 8.013 8.085 -0.072 17603 125 1 . 1 1 23 23 GLY N N 23 106.729 106.729 106.760 -0.031 17603 126 1 . 1 1 23 23 GLY C C 23 173.526 173.526 174.013 -0.487 17603 127 1 . 1 1 23 23 GLY CA C 23 44.966 44.966 45.069 -0.103 17603 128 1 . 1 1 23 23 GLY H H 23 7.841 7.841 7.827 0.014 17603 129 1 . 1 1 24 24 TYR N N 24 120.577 120.577 119.505 1.072 17603 130 1 . 1 1 24 24 TYR HA H 24 4.875 4.875 4.511 0.364 17603 131 1 . 1 1 24 24 TYR C C 24 177.535 177.535 175.784 1.751 17603 132 1 . 1 1 24 24 TYR CA C 24 55.243 55.243 56.462 -1.219 17603 133 1 . 1 1 24 24 TYR CB C 24 38.301 38.301 39.075 -0.774 17603 134 1 . 1 1 24 24 TYR H H 24 8.116 8.116 8.066 0.050 17603 135 1 . 1 1 25 25 TYR N N 25 122.385 122.385 123.185 -0.800 17603 136 1 . 1 1 25 25 TYR HA H 25 4.935 4.935 4.887 0.048 17603 137 1 . 1 1 25 25 TYR C C 25 175.310 175.310 176.197 -0.887 17603 138 1 . 1 1 25 25 TYR CA C 25 59.794 59.794 60.008 -0.214 17603 139 1 . 1 1 25 25 TYR CB C 25 39.893 39.893 37.878 2.015 17603 140 1 . 1 1 25 25 TYR H H 25 8.679 8.679 8.879 -0.200 17603 141 1 . 1 1 26 26 THR N N 26 120.628 120.628 118.037 2.591 17603 142 1 . 1 1 26 26 THR HA H 26 5.179 5.179 5.043 0.136 17603 143 1 . 1 1 26 26 THR C C 26 180.259 180.259 172.601 7.658 17603 144 1 . 1 1 26 26 THR CA C 26 61.015 61.015 61.271 -0.256 17603 145 1 . 1 1 26 26 THR CB C 26 72.424 72.424 72.383 0.041 17603 146 1 . 1 1 26 26 THR H H 26 9.362 9.362 9.062 0.300 17603 147 1 . 1 1 27 27 ILE N N 27 120.468 120.468 120.671 -0.203 17603 148 1 . 1 1 27 27 ILE HA H 27 4.546 4.546 4.514 0.032 17603 149 1 . 1 1 27 27 ILE C C 27 172.440 172.440 174.634 -2.194 17603 150 1 . 1 1 27 27 ILE CA C 27 60.507 60.507 59.795 0.712 17603 151 1 . 1 1 27 27 ILE CB C 27 43.183 43.183 42.031 1.152 17603 152 1 . 1 1 27 27 ILE H H 27 8.814 8.814 8.515 0.299 17603 153 1 . 1 1 28 28 GLY N N 28 112.172 112.172 112.806 -0.634 17603 154 1 . 1 1 28 28 GLY C C 28 174.772 174.772 174.196 0.576 17603 155 1 . 1 1 28 28 GLY CA C 28 45.997 45.997 46.074 -0.077 17603 156 1 . 1 1 28 28 GLY H H 28 8.553 8.553 8.799 -0.246 17603 157 1 . 1 1 29 29 ILE N N 29 133.320 133.320 125.117 8.203 17603 158 1 . 1 1 29 29 ILE HA H 29 4.826 4.826 4.415 0.411 17603 159 1 . 1 1 29 29 ILE C C 29 176.677 176.677 176.623 0.054 17603 160 1 . 1 1 29 29 ILE CA C 29 59.212 59.212 60.775 -1.563 17603 161 1 . 1 1 29 29 ILE CB C 29 35.861 35.861 36.719 -0.858 17603 162 1 . 1 1 29 29 ILE H H 29 10.142 10.142 8.648 1.494 17603 163 1 . 1 1 30 30 GLY N N 30 108.192 108.192 112.478 -4.286 17603 164 1 . 1 1 30 30 GLY C C 30 173.131 173.131 174.241 -1.110 17603 165 1 . 1 1 30 30 GLY CA C 30 47.191 47.191 46.063 1.128 17603 166 1 . 1 1 30 30 GLY H H 30 8.121 8.121 8.391 -0.270 17603 167 1 . 1 1 31 31 HIS N N 31 115.740 115.740 120.115 -4.375 17603 168 1 . 1 1 31 31 HIS HA H 31 4.301 4.301 4.616 -0.315 17603 169 1 . 1 1 31 31 HIS C C 31 173.495 173.495 174.573 -1.078 17603 170 1 . 1 1 31 31 HIS CA C 31 56.674 56.674 54.789 1.885 17603 171 1 . 1 1 31 31 HIS CB C 31 27.571 27.571 29.818 -2.247 17603 172 1 . 1 1 31 31 HIS H H 31 8.266 8.266 8.393 -0.127 17603 173 1 . 1 1 32 32 LEU N N 32 132.140 132.140 128.609 3.531 17603 174 1 . 1 1 32 32 LEU HA H 32 4.089 4.089 3.989 0.100 17603 175 1 . 1 1 32 32 LEU C C 32 176.486 176.486 175.657 0.829 17603 176 1 . 1 1 32 32 LEU CA C 32 55.840 55.840 55.439 0.401 17603 177 1 . 1 1 32 32 LEU CB C 32 41.934 41.934 42.178 -0.243 17603 178 1 . 1 1 32 32 LEU H H 32 7.873 7.873 8.518 -0.645 17603 179 1 . 1 1 33 33 LEU N N 33 125.594 125.594 126.304 -0.710 17603 180 1 . 1 1 33 33 LEU HA H 33 4.436 4.436 4.355 0.081 17603 181 1 . 1 1 33 33 LEU C C 33 176.139 176.139 177.126 -0.987 17603 182 1 . 1 1 33 33 LEU CA C 33 55.682 55.682 55.915 -0.233 17603 183 1 . 1 1 33 33 LEU CB C 33 43.449 43.449 43.095 0.354 17603 184 1 . 1 1 33 33 LEU H H 33 9.060 9.060 8.771 0.289 17603 185 1 . 1 1 34 34 THR N N 34 109.512 109.512 109.025 0.487 17603 186 1 . 1 1 34 34 THR HA H 34 4.485 4.485 4.389 0.095 17603 187 1 . 1 1 34 34 THR C C 34 171.666 171.666 172.300 -0.634 17603 188 1 . 1 1 34 34 THR CA C 34 60.278 60.278 61.364 -1.086 17603 189 1 . 1 1 34 34 THR CB C 34 67.479 67.479 71.446 -3.967 17603 190 1 . 1 1 34 34 THR H H 34 7.266 7.266 7.375 -0.109 17603 191 1 . 1 1 35 35 LYS N N 35 125.041 125.041 122.557 2.484 17603 192 1 . 1 1 35 35 LYS HA H 35 4.294 4.294 4.026 0.268 17603 193 1 . 1 1 35 35 LYS C C 35 176.714 176.714 176.756 -0.042 17603 194 1 . 1 1 35 35 LYS CA C 35 56.355 56.355 55.908 0.447 17603 195 1 . 1 1 35 35 LYS CB C 35 32.386 32.386 32.286 0.100 17603 196 1 . 1 1 35 35 LYS H H 35 8.556 8.556 8.282 0.274 17603 197 1 . 1 1 36 36 SER N N 36 119.417 119.417 117.695 1.722 17603 198 1 . 1 1 36 36 SER CA C 36 57.016 57.016 56.292 0.724 17603 199 1 . 1 1 36 36 SER CB C 36 64.053 64.053 63.778 0.275 17603 200 1 . 1 1 36 36 SER H H 36 8.671 8.671 7.803 0.868 17603 201 1 . 1 1 37 37 PRO HA H 37 4.834 4.834 4.579 0.255 17603 202 1 . 1 1 37 37 PRO C C 37 177.182 177.182 176.807 0.375 17603 203 1 . 1 1 37 37 PRO CA C 37 63.717 63.717 63.433 0.283 17603 204 1 . 1 1 37 37 PRO CB C 37 30.652 30.652 31.941 -1.289 17603 205 1 . 1 1 38 38 SER N N 38 116.310 116.310 116.102 0.208 17603 206 1 . 1 1 38 38 SER HA H 38 4.703 4.703 4.570 0.133 17603 207 1 . 1 1 38 38 SER C C 38 174.405 174.405 175.310 -0.905 17603 208 1 . 1 1 38 38 SER CA C 38 56.494 56.494 56.686 -0.192 17603 209 1 . 1 1 38 38 SER CB C 38 63.608 63.608 63.577 0.031 17603 210 1 . 1 1 38 38 SER H H 38 8.189 8.189 7.752 0.437 17603 211 1 . 1 1 39 39 LEU N N 39 132.784 132.784 130.483 2.301 17603 212 1 . 1 1 39 39 LEU HA H 39 3.355 3.355 3.350 0.005 17603 213 1 . 1 1 39 39 LEU C C 39 178.441 178.441 177.569 0.872 17603 214 1 . 1 1 39 39 LEU CA C 39 57.258 57.258 57.144 0.114 17603 215 1 . 1 1 39 39 LEU CB C 39 41.485 41.485 41.847 -0.362 17603 216 1 . 1 1 39 39 LEU H H 39 8.916 8.916 8.792 0.124 17603 217 1 . 1 1 40 40 ASN N N 40 116.840 116.840 117.514 -0.674 17603 218 1 . 1 1 40 40 ASN HA H 40 4.263 4.263 4.341 -0.078 17603 219 1 . 1 1 40 40 ASN C C 40 178.226 178.226 177.434 0.792 17603 220 1 . 1 1 40 40 ASN CA C 40 56.338 56.338 55.976 0.362 17603 221 1 . 1 1 40 40 ASN CB C 40 37.723 37.723 37.631 0.092 17603 222 1 . 1 1 40 40 ASN H H 40 8.255 8.255 8.220 0.035 17603 223 1 . 1 1 41 41 ALA N N 41 123.964 123.964 122.976 0.988 17603 224 1 . 1 1 41 41 ALA HA H 41 4.194 4.194 3.996 0.198 17603 225 1 . 1 1 41 41 ALA C C 41 179.835 179.835 178.893 0.942 17603 226 1 . 1 1 41 41 ALA CA C 41 54.868 54.868 54.928 -0.060 17603 227 1 . 1 1 41 41 ALA CB C 41 17.872 17.872 18.354 -0.481 17603 228 1 . 1 1 41 41 ALA H H 41 7.710 7.710 7.593 0.117 17603 229 1 . 1 1 42 42 ALA N N 42 121.099 121.099 121.296 -0.197 17603 230 1 . 1 1 42 42 ALA HA H 42 3.750 3.750 3.873 -0.123 17603 231 1 . 1 1 42 42 ALA C C 42 178.838 178.838 179.452 -0.614 17603 232 1 . 1 1 42 42 ALA CA C 42 55.533 55.533 55.103 0.430 17603 233 1 . 1 1 42 42 ALA CB C 42 18.576 18.576 18.081 0.494 17603 234 1 . 1 1 42 42 ALA H H 42 7.571 7.571 7.856 -0.285 17603 235 1 . 1 1 43 43 LYS N N 43 117.308 117.308 118.137 -0.829 17603 236 1 . 1 1 43 43 LYS HA H 43 3.654 3.654 3.892 -0.238 17603 237 1 . 1 1 43 43 LYS C C 43 177.511 177.511 178.920 -1.409 17603 238 1 . 1 1 43 43 LYS CA C 43 60.659 60.659 59.715 0.944 17603 239 1 . 1 1 43 43 LYS CB C 43 32.427 32.427 32.138 0.289 17603 240 1 . 1 1 43 43 LYS H H 43 8.377 8.377 8.250 0.127 17603 241 1 . 1 1 44 44 SER N N 44 114.066 114.066 115.251 -1.185 17603 242 1 . 1 1 44 44 SER HA H 44 4.256 4.256 4.166 0.090 17603 243 1 . 1 1 44 44 SER C C 44 177.894 177.894 176.607 1.286 17603 244 1 . 1 1 44 44 SER CA C 44 61.764 61.764 61.395 0.369 17603 245 1 . 1 1 44 44 SER CB C 44 62.722 62.722 62.553 0.169 17603 246 1 . 1 1 44 44 SER H H 44 7.895 7.895 8.146 -0.251 17603 247 1 . 1 1 45 45 GLU N N 45 120.349 120.349 121.230 -0.881 17603 248 1 . 1 1 45 45 GLU HA H 45 4.107 4.107 4.042 0.064 17603 249 1 . 1 1 45 45 GLU C C 45 179.336 179.336 179.149 0.187 17603 250 1 . 1 1 45 45 GLU CA C 45 58.426 58.426 58.998 -0.572 17603 251 1 . 1 1 45 45 GLU CB C 45 29.348 29.348 29.327 0.021 17603 252 1 . 1 1 45 45 GLU H H 45 7.988 7.988 7.881 0.107 17603 253 1 . 1 1 46 46 LEU N N 46 122.887 122.887 122.352 0.535 17603 254 1 . 1 1 46 46 LEU HA H 46 3.938 3.938 4.062 -0.124 17603 255 1 . 1 1 46 46 LEU C C 46 177.291 177.291 178.303 -1.012 17603 256 1 . 1 1 46 46 LEU CA C 46 57.649 57.649 58.178 -0.529 17603 257 1 . 1 1 46 46 LEU CB C 46 41.616 41.616 41.660 -0.044 17603 258 1 . 1 1 46 46 LEU H H 46 8.286 8.286 8.317 -0.031 17603 259 1 . 1 1 47 47 ASP N N 47 120.418 120.418 119.881 0.537 17603 260 1 . 1 1 47 47 ASP HA H 47 4.760 4.760 4.489 0.271 17603 261 1 . 1 1 47 47 ASP C C 47 180.926 180.926 179.127 1.799 17603 262 1 . 1 1 47 47 ASP CA C 47 57.318 57.318 57.418 -0.100 17603 263 1 . 1 1 47 47 ASP CB C 47 40.029 40.029 40.252 -0.223 17603 264 1 . 1 1 47 47 ASP H H 47 8.553 8.553 8.425 0.128 17603 265 1 . 1 1 48 48 LYS N N 48 120.743 120.743 120.005 0.738 17603 266 1 . 1 1 48 48 LYS HA H 48 4.003 4.003 4.063 -0.060 17603 267 1 . 1 1 48 48 LYS C C 48 178.198 178.198 178.305 -0.107 17603 268 1 . 1 1 48 48 LYS CA C 48 59.181 59.181 58.869 0.312 17603 269 1 . 1 1 48 48 LYS CB C 48 32.704 32.704 32.593 0.111 17603 270 1 . 1 1 48 48 LYS H H 48 7.747 7.747 7.931 -0.184 17603 271 1 . 1 1 49 49 ALA N N 49 121.258 121.258 121.928 -0.670 17603 272 1 . 1 1 49 49 ALA HA H 49 4.156 4.156 4.216 -0.061 17603 273 1 . 1 1 49 49 ALA C C 49 179.386 179.386 179.198 0.188 17603 274 1 . 1 1 49 49 ALA CA C 49 54.472 54.472 54.552 -0.080 17603 275 1 . 1 1 49 49 ALA CB C 49 18.234 18.234 18.974 -0.740 17603 276 1 . 1 1 49 49 ALA H H 49 7.925 7.925 7.966 -0.041 17603 277 1 . 1 1 50 50 ILE N N 50 114.806 114.806 115.947 -1.141 17603 278 1 . 1 1 50 50 ILE HA H 50 4.078 4.078 4.050 0.028 17603 279 1 . 1 1 50 50 ILE C C 50 177.205 177.205 177.209 -0.004 17603 280 1 . 1 1 50 50 ILE CA C 50 59.102 59.102 61.048 -1.946 17603 281 1 . 1 1 50 50 ILE CB C 50 37.294 37.294 38.425 -1.131 17603 282 1 . 1 1 50 50 ILE H H 50 8.323 8.323 7.713 0.610 17603 283 1 . 1 1 51 51 GLY N N 51 109.238 109.238 109.791 -0.553 17603 284 1 . 1 1 51 51 GLY C C 51 173.771 173.771 173.777 -0.006 17603 285 1 . 1 1 51 51 GLY CA C 51 45.922 45.922 45.155 0.768 17603 286 1 . 1 1 51 51 GLY H H 51 8.340 8.340 8.380 -0.040 17603 287 1 . 1 1 52 52 ARG N N 52 115.526 115.526 116.555 -1.029 17603 288 1 . 1 1 52 52 ARG HA H 52 4.557 4.557 4.522 0.035 17603 289 1 . 1 1 52 52 ARG C C 52 172.391 172.391 173.393 -1.002 17603 290 1 . 1 1 52 52 ARG CA C 52 54.080 54.080 53.815 0.265 17603 291 1 . 1 1 52 52 ARG CB C 52 32.207 32.207 32.306 -0.099 17603 292 1 . 1 1 52 52 ARG H H 52 7.656 7.656 7.632 0.024 17603 293 1 . 1 1 53 53 ASN N N 53 115.684 115.684 120.467 -4.783 17603 294 1 . 1 1 53 53 ASN HA H 53 4.696 4.696 4.947 -0.251 17603 295 1 . 1 1 53 53 ASN C C 53 175.491 175.491 174.996 0.495 17603 296 1 . 1 1 53 53 ASN CA C 53 53.151 53.151 52.825 0.326 17603 297 1 . 1 1 53 53 ASN CB C 53 37.677 37.677 38.708 -1.031 17603 298 1 . 1 1 53 53 ASN H H 53 8.241 8.241 8.687 -0.446 17603 299 1 . 1 1 54 54 THR N N 54 119.609 119.609 118.038 1.571 17603 300 1 . 1 1 54 54 THR HA H 54 4.300 4.300 4.497 -0.197 17603 301 1 . 1 1 54 54 THR C C 54 177.264 177.264 174.678 2.586 17603 302 1 . 1 1 54 54 THR CA C 54 63.701 63.701 60.887 2.814 17603 303 1 . 1 1 54 54 THR CB C 54 70.615 70.615 70.630 -0.015 17603 304 1 . 1 1 54 54 THR H H 54 9.034 9.034 8.770 0.264 17603 305 1 . 1 1 55 55 ASN N N 55 120.027 120.027 118.451 1.576 17603 306 1 . 1 1 55 55 ASN HA H 55 4.384 4.384 4.693 -0.309 17603 307 1 . 1 1 55 55 ASN C C 55 175.774 175.774 175.674 0.100 17603 308 1 . 1 1 55 55 ASN CA C 55 54.426 54.426 52.035 2.391 17603 309 1 . 1 1 55 55 ASN CB C 55 38.645 38.645 38.718 -0.073 17603 310 1 . 1 1 55 55 ASN H H 55 9.426 9.426 8.341 1.085 17603 311 1 . 1 1 56 56 GLY N N 56 103.056 103.056 108.269 -5.213 17603 312 1 . 1 1 56 56 GLY C C 56 172.072 172.072 172.903 -0.831 17603 313 1 . 1 1 56 56 GLY CA C 56 46.186 46.186 46.169 0.018 17603 314 1 . 1 1 56 56 GLY H H 56 8.662 8.662 7.810 0.852 17603 315 1 . 1 1 57 57 VAL N N 57 119.999 119.999 118.574 1.425 17603 316 1 . 1 1 57 57 VAL HA H 57 5.129 5.129 5.292 -0.163 17603 317 1 . 1 1 57 57 VAL C C 57 174.971 174.971 174.881 0.090 17603 318 1 . 1 1 57 57 VAL CA C 57 61.021 61.021 59.691 1.330 17603 319 1 . 1 1 57 57 VAL CB C 57 35.171 35.171 34.643 0.528 17603 320 1 . 1 1 57 57 VAL H H 57 7.444 7.444 7.423 0.021 17603 321 1 . 1 1 58 58 ILE N N 58 116.746 116.746 121.354 -4.608 17603 322 1 . 1 1 58 58 ILE HA H 58 4.846 4.846 5.094 -0.248 17603 323 1 . 1 1 58 58 ILE C C 58 175.376 175.376 175.216 0.161 17603 324 1 . 1 1 58 58 ILE CA C 58 58.639 58.639 57.915 0.724 17603 325 1 . 1 1 58 58 ILE CB C 58 41.872 41.872 41.927 -0.055 17603 326 1 . 1 1 58 58 ILE H H 58 8.562 8.562 9.075 -0.513 17603 327 1 . 1 1 59 59 THR N N 59 109.208 109.208 112.612 -3.404 17603 328 1 . 1 1 59 59 THR HA H 59 4.632 4.632 4.662 -0.030 17603 329 1 . 1 1 59 59 THR C C 59 176.431 176.431 174.814 1.617 17603 330 1 . 1 1 59 59 THR CA C 59 59.899 59.899 60.185 -0.286 17603 331 1 . 1 1 59 59 THR CB C 59 71.419 71.419 70.290 1.129 17603 332 1 . 1 1 59 59 THR H H 59 8.682 8.682 9.058 -0.376 17603 333 1 . 1 1 60 60 LYS N N 60 121.442 121.442 121.691 -0.249 17603 334 1 . 1 1 60 60 LYS HA H 60 3.839 3.839 3.959 -0.120 17603 335 1 . 1 1 60 60 LYS C C 60 178.238 178.238 178.333 -0.095 17603 336 1 . 1 1 60 60 LYS CA C 60 60.763 60.763 60.463 0.300 17603 337 1 . 1 1 60 60 LYS CB C 60 32.016 32.016 32.267 -0.251 17603 338 1 . 1 1 60 60 LYS H H 60 9.097 9.097 8.819 0.278 17603 339 1 . 1 1 61 61 ASP N N 61 117.513 117.513 118.404 -0.891 17603 340 1 . 1 1 61 61 ASP HA H 61 4.367 4.367 4.409 -0.042 17603 341 1 . 1 1 61 61 ASP C C 61 179.613 179.613 179.024 0.589 17603 342 1 . 1 1 61 61 ASP CA C 61 57.355 57.355 57.525 -0.170 17603 343 1 . 1 1 61 61 ASP CB C 61 40.521 40.521 40.178 0.343 17603 344 1 . 1 1 61 61 ASP H H 61 8.234 8.234 8.535 -0.301 17603 345 1 . 1 1 62 62 GLU N N 62 121.613 121.613 120.196 1.417 17603 346 1 . 1 1 62 62 GLU HA H 62 3.889 3.889 4.069 -0.180 17603 347 1 . 1 1 62 62 GLU C C 62 178.900 178.900 178.828 0.072 17603 348 1 . 1 1 62 62 GLU CA C 62 59.050 59.050 59.113 -0.063 17603 349 1 . 1 1 62 62 GLU CB C 62 29.483 29.483 29.595 -0.112 17603 350 1 . 1 1 62 62 GLU H H 62 7.725 7.725 7.900 -0.175 17603 351 1 . 1 1 63 63 ALA N N 63 121.265 121.265 122.797 -1.532 17603 352 1 . 1 1 63 63 ALA HA H 63 3.884 3.884 3.958 -0.074 17603 353 1 . 1 1 63 63 ALA C C 63 180.712 180.712 179.766 0.946 17603 354 1 . 1 1 63 63 ALA CA C 63 55.102 55.102 55.692 -0.590 17603 355 1 . 1 1 63 63 ALA CB C 63 18.491 18.491 18.401 0.090 17603 356 1 . 1 1 63 63 ALA H H 63 8.500 8.500 8.399 0.100 17603 357 1 . 1 1 64 64 GLU N N 64 120.135 120.135 118.218 1.916 17603 358 1 . 1 1 64 64 GLU HA H 64 4.094 4.094 4.189 -0.095 17603 359 1 . 1 1 64 64 GLU C C 64 177.848 177.848 178.923 -1.075 17603 360 1 . 1 1 64 64 GLU CA C 64 59.757 59.757 59.419 0.338 17603 361 1 . 1 1 64 64 GLU CB C 64 29.113 29.113 29.632 -0.519 17603 362 1 . 1 1 64 64 GLU H H 64 8.412 8.412 8.390 0.022 17603 363 1 . 1 1 65 65 LYS N N 65 122.023 122.023 121.369 0.653 17603 364 1 . 1 1 65 65 LYS HA H 65 4.152 4.152 4.095 0.057 17603 365 1 . 1 1 65 65 LYS C C 65 179.601 179.601 179.007 0.594 17603 366 1 . 1 1 65 65 LYS CA C 65 60.118 60.118 59.642 0.476 17603 367 1 . 1 1 65 65 LYS CB C 65 32.320 32.320 32.415 -0.095 17603 368 1 . 1 1 65 65 LYS H H 65 7.853 7.853 8.008 -0.155 17603 369 1 . 1 1 66 66 LEU N N 66 118.739 118.739 119.320 -0.581 17603 370 1 . 1 1 66 66 LEU HA H 66 3.933 3.933 3.928 0.005 17603 371 1 . 1 1 66 66 LEU C C 66 177.920 177.920 179.103 -1.183 17603 372 1 . 1 1 66 66 LEU CA C 66 57.502 57.502 57.907 -0.405 17603 373 1 . 1 1 66 66 LEU CB C 66 42.380 42.380 41.604 0.776 17603 374 1 . 1 1 66 66 LEU H H 66 7.822 7.822 8.104 -0.282 17603 375 1 . 1 1 67 67 PHE N N 67 119.050 119.050 120.248 -1.198 17603 376 1 . 1 1 67 67 PHE HA H 67 5.195 5.195 4.281 0.914 17603 377 1 . 1 1 67 67 PHE C C 67 177.421 177.421 177.548 -0.127 17603 378 1 . 1 1 67 67 PHE CA C 67 59.933 59.933 60.813 -0.880 17603 379 1 . 1 1 67 67 PHE CB C 67 39.975 39.975 38.932 1.043 17603 380 1 . 1 1 67 67 PHE H H 67 8.075 8.075 8.466 -0.391 17603 381 1 . 1 1 68 68 ASN N N 68 118.041 118.041 117.403 0.638 17603 382 1 . 1 1 68 68 ASN HA H 68 4.249 4.249 4.366 -0.117 17603 383 1 . 1 1 68 68 ASN C C 68 178.777 178.777 177.570 1.207 17603 384 1 . 1 1 68 68 ASN CA C 68 57.058 57.058 56.539 0.519 17603 385 1 . 1 1 68 68 ASN CB C 68 38.491 38.491 38.595 -0.104 17603 386 1 . 1 1 68 68 ASN H H 68 8.505 8.505 8.567 -0.062 17603 387 1 . 1 1 69 69 GLN N N 69 118.812 118.812 119.177 -0.365 17603 388 1 . 1 1 69 69 GLN HA H 69 4.179 4.179 3.991 0.188 17603 389 1 . 1 1 69 69 GLN C C 69 178.938 178.938 178.443 0.495 17603 390 1 . 1 1 69 69 GLN CA C 69 58.889 58.889 59.153 -0.264 17603 391 1 . 1 1 69 69 GLN CB C 69 28.552 28.552 28.702 -0.150 17603 392 1 . 1 1 69 69 GLN H H 69 7.763 7.763 8.086 -0.323 17603 393 1 . 1 1 70 70 ASP N N 70 123.281 123.281 120.879 2.402 17603 394 1 . 1 1 70 70 ASP HA H 70 4.499 4.499 4.450 0.049 17603 395 1 . 1 1 70 70 ASP C C 70 180.101 180.101 178.994 1.107 17603 396 1 . 1 1 70 70 ASP CA C 70 57.042 57.042 57.354 -0.312 17603 397 1 . 1 1 70 70 ASP CB C 70 40.440 40.440 40.564 -0.125 17603 398 1 . 1 1 70 70 ASP H H 70 8.757 8.757 8.457 0.300 17603 399 1 . 1 1 71 71 VAL N N 71 125.532 125.532 120.725 4.807 17603 400 1 . 1 1 71 71 VAL HA H 71 3.596 3.596 3.471 0.125 17603 401 1 . 1 1 71 71 VAL C C 71 177.160 177.160 177.552 -0.392 17603 402 1 . 1 1 71 71 VAL CA C 71 68.009 68.009 66.765 1.244 17603 403 1 . 1 1 71 71 VAL CB C 71 31.583 31.583 31.228 0.355 17603 404 1 . 1 1 71 71 VAL H H 71 9.015 9.015 8.350 0.665 17603 405 1 . 1 1 72 72 ASP N N 72 119.221 119.221 119.979 -0.758 17603 406 1 . 1 1 72 72 ASP HA H 72 4.362 4.362 4.242 0.120 17603 407 1 . 1 1 72 72 ASP C C 72 178.561 178.561 178.181 0.380 17603 408 1 . 1 1 72 72 ASP CA C 72 57.323 57.323 57.304 0.019 17603 409 1 . 1 1 72 72 ASP CB C 72 41.083 41.083 40.083 1.000 17603 410 1 . 1 1 72 72 ASP H H 72 7.599 7.599 8.141 -0.542 17603 411 1 . 1 1 73 73 ALA N N 73 120.038 120.038 121.703 -1.665 17603 412 1 . 1 1 73 73 ALA HA H 73 3.999 3.999 4.029 -0.030 17603 413 1 . 1 1 73 73 ALA C C 73 180.491 180.491 179.553 0.938 17603 414 1 . 1 1 73 73 ALA CA C 73 55.086 55.086 55.054 0.032 17603 415 1 . 1 1 73 73 ALA CB C 73 18.522 18.522 18.203 0.319 17603 416 1 . 1 1 73 73 ALA H H 73 8.276 8.276 8.249 0.027 17603 417 1 . 1 1 74 74 ALA N N 74 123.435 123.435 121.812 1.623 17603 418 1 . 1 1 74 74 ALA HA H 74 4.163 4.163 3.974 0.189 17603 419 1 . 1 1 74 74 ALA C C 74 178.997 178.997 179.508 -0.511 17603 420 1 . 1 1 74 74 ALA CA C 74 54.827 54.827 54.865 -0.038 17603 421 1 . 1 1 74 74 ALA CB C 74 18.430 18.430 18.434 -0.004 17603 422 1 . 1 1 74 74 ALA H H 74 7.925 7.925 7.705 0.220 17603 423 1 . 1 1 75 75 VAL N N 75 118.091 118.091 119.169 -1.078 17603 424 1 . 1 1 75 75 VAL HA H 75 3.231 3.231 3.275 -0.044 17603 425 1 . 1 1 75 75 VAL C C 75 178.108 178.108 177.877 0.230 17603 426 1 . 1 1 75 75 VAL CA C 75 67.042 67.042 66.939 0.103 17603 427 1 . 1 1 75 75 VAL CB C 75 31.838 31.838 31.463 0.375 17603 428 1 . 1 1 75 75 VAL H H 75 8.141 8.141 7.885 0.256 17603 429 1 . 1 1 76 76 ARG N N 76 117.779 117.779 119.526 -1.747 17603 430 1 . 1 1 76 76 ARG HA H 76 3.801 3.801 3.896 -0.095 17603 431 1 . 1 1 76 76 ARG C C 76 178.816 178.816 178.840 -0.024 17603 432 1 . 1 1 76 76 ARG CA C 76 59.912 59.912 59.933 -0.021 17603 433 1 . 1 1 76 76 ARG CB C 76 30.226 30.226 29.852 0.374 17603 434 1 . 1 1 76 76 ARG H H 76 8.358 8.358 8.652 -0.294 17603 435 1 . 1 1 77 77 GLY N N 77 105.669 105.669 107.165 -1.496 17603 436 1 . 1 1 77 77 GLY C C 77 176.097 176.097 175.859 0.238 17603 437 1 . 1 1 77 77 GLY CA C 77 46.674 46.674 46.746 -0.072 17603 438 1 . 1 1 77 77 GLY H H 77 7.999 7.999 8.116 -0.117 17603 439 1 . 1 1 78 78 ILE N N 78 122.001 122.001 122.047 -0.046 17603 440 1 . 1 1 78 78 ILE HA H 78 3.643 3.643 3.694 -0.051 17603 441 1 . 1 1 78 78 ILE C C 78 177.194 177.194 178.270 -1.076 17603 442 1 . 1 1 78 78 ILE CA C 78 65.222 65.222 64.722 0.500 17603 443 1 . 1 1 78 78 ILE CB C 78 37.962 37.962 37.880 0.082 17603 444 1 . 1 1 78 78 ILE H H 78 7.579 7.579 7.741 -0.162 17603 445 1 . 1 1 79 79 LEU N N 79 115.459 115.459 117.797 -2.338 17603 446 1 . 1 1 79 79 LEU HA H 79 3.760 3.760 4.021 -0.261 17603 447 1 . 1 1 79 79 LEU C C 79 178.673 178.673 178.115 0.558 17603 448 1 . 1 1 79 79 LEU CA C 79 57.217 57.217 56.950 0.267 17603 449 1 . 1 1 79 79 LEU CB C 79 41.444 41.444 41.623 -0.179 17603 450 1 . 1 1 79 79 LEU H H 79 7.929 7.929 8.035 -0.106 17603 451 1 . 1 1 80 80 ARG N N 80 114.830 114.830 114.609 0.221 17603 452 1 . 1 1 80 80 ARG HA H 80 4.256 4.256 4.313 -0.057 17603 453 1 . 1 1 80 80 ARG C C 80 175.076 175.076 175.791 -0.715 17603 454 1 . 1 1 80 80 ARG CA C 80 56.029 56.029 56.146 -0.117 17603 455 1 . 1 1 80 80 ARG CB C 80 30.375 30.375 30.605 -0.230 17603 456 1 . 1 1 80 80 ARG H H 80 7.680 7.680 7.644 0.036 17603 457 1 . 1 1 81 81 ASN N N 81 120.935 120.935 118.733 2.202 17603 458 1 . 1 1 81 81 ASN HA H 81 4.759 4.759 4.796 -0.037 17603 459 1 . 1 1 81 81 ASN C C 81 174.612 174.612 175.218 -0.606 17603 460 1 . 1 1 81 81 ASN CA C 81 52.514 52.514 52.295 0.219 17603 461 1 . 1 1 81 81 ASN CB C 81 39.799 39.799 40.306 -0.507 17603 462 1 . 1 1 81 81 ASN H H 81 7.516 7.516 7.507 0.009 17603 463 1 . 1 1 82 82 ALA N N 82 128.007 128.007 129.609 -1.602 17603 464 1 . 1 1 82 82 ALA HA H 82 4.072 4.072 4.169 -0.097 17603 465 1 . 1 1 82 82 ALA C C 82 178.837 178.837 178.565 0.273 17603 466 1 . 1 1 82 82 ALA CA C 82 54.885 54.885 54.558 0.327 17603 467 1 . 1 1 82 82 ALA CB C 82 18.977 18.977 18.831 0.146 17603 468 1 . 1 1 82 82 ALA H H 82 8.784 8.784 8.972 -0.188 17603 469 1 . 1 1 83 83 LYS N N 83 114.232 114.232 117.384 -3.152 17603 470 1 . 1 1 83 83 LYS HA H 83 4.231 4.231 4.236 -0.004 17603 471 1 . 1 1 83 83 LYS C C 83 177.362 177.362 178.634 -1.272 17603 472 1 . 1 1 83 83 LYS CA C 83 57.565 57.565 58.550 -0.985 17603 473 1 . 1 1 83 83 LYS CB C 83 32.803 32.803 32.971 -0.167 17603 474 1 . 1 1 83 83 LYS H H 83 8.075 8.075 8.220 -0.145 17603 475 1 . 1 1 84 84 LEU N N 84 115.899 115.899 120.322 -4.423 17603 476 1 . 1 1 84 84 LEU HA H 84 4.179 4.179 4.178 0.001 17603 477 1 . 1 1 84 84 LEU C C 84 178.322 178.322 178.260 0.062 17603 478 1 . 1 1 84 84 LEU CA C 84 56.631 56.631 57.224 -0.593 17603 479 1 . 1 1 84 84 LEU CB C 84 42.933 42.933 42.089 0.845 17603 480 1 . 1 1 84 84 LEU H H 84 7.422 7.422 8.454 -1.032 17603 481 1 . 1 1 85 85 LYS N N 85 120.723 120.723 120.627 0.095 17603 482 1 . 1 1 85 85 LYS CA C 85 62.536 62.536 62.009 0.527 17603 483 1 . 1 1 85 85 LYS CB C 85 29.963 29.963 30.495 -0.532 17603 484 1 . 1 1 85 85 LYS H H 85 8.407 8.407 8.398 0.009 17603 485 1 . 1 1 86 86 PRO HA H 86 4.461 4.461 4.325 0.136 17603 486 1 . 1 1 86 86 PRO C C 86 180.075 180.075 179.203 0.872 17603 487 1 . 1 1 86 86 PRO CA C 86 65.844 65.844 65.820 0.024 17603 488 1 . 1 1 86 86 PRO CB C 86 30.807 30.807 31.130 -0.323 17603 489 1 . 1 1 87 87 VAL N N 87 116.002 116.002 118.692 -2.690 17603 490 1 . 1 1 87 87 VAL HA H 87 3.790 3.790 3.762 0.029 17603 491 1 . 1 1 87 87 VAL C C 87 178.477 178.477 178.276 0.201 17603 492 1 . 1 1 87 87 VAL CA C 87 65.433 65.433 66.293 -0.860 17603 493 1 . 1 1 87 87 VAL CB C 87 31.496 31.496 31.773 -0.277 17603 494 1 . 1 1 87 87 VAL H H 87 6.903 6.903 7.282 -0.379 17603 495 1 . 1 1 88 88 TYR N N 88 123.146 123.146 121.240 1.906 17603 496 1 . 1 1 88 88 TYR HA H 88 3.937 3.937 4.135 -0.198 17603 497 1 . 1 1 88 88 TYR C C 88 177.346 177.346 178.196 -0.850 17603 498 1 . 1 1 88 88 TYR CA C 88 63.012 63.012 61.989 1.023 17603 499 1 . 1 1 88 88 TYR CB C 88 39.695 39.695 38.414 1.281 17603 500 1 . 1 1 88 88 TYR H H 88 8.454 8.454 8.702 -0.248 17603 501 1 . 1 1 89 89 ASP N N 89 117.059 117.059 117.622 -0.563 17603 502 1 . 1 1 89 89 ASP HA H 89 4.308 4.308 4.360 -0.052 17603 503 1 . 1 1 89 89 ASP C C 89 178.136 178.136 178.446 -0.310 17603 504 1 . 1 1 89 89 ASP CA C 89 56.625 56.625 57.286 -0.661 17603 505 1 . 1 1 89 89 ASP CB C 89 40.586 40.586 40.152 0.434 17603 506 1 . 1 1 89 89 ASP H H 89 9.057 9.057 8.926 0.131 17603 507 1 . 1 1 90 90 SER N N 90 113.398 113.398 114.084 -0.686 17603 508 1 . 1 1 90 90 SER HA H 90 4.435 4.435 4.339 0.096 17603 509 1 . 1 1 90 90 SER C C 90 174.464 174.464 175.020 -0.556 17603 510 1 . 1 1 90 90 SER CA C 90 59.549 59.549 59.559 -0.010 17603 511 1 . 1 1 90 90 SER CB C 90 64.598 64.598 63.445 1.153 17603 512 1 . 1 1 90 90 SER H H 90 7.385 7.385 7.643 -0.258 17603 513 1 . 1 1 91 91 LEU N N 91 123.580 123.580 123.682 -0.102 17603 514 1 . 1 1 91 91 LEU HA H 91 4.413 4.413 4.510 -0.097 17603 515 1 . 1 1 91 91 LEU C C 91 176.375 176.375 176.796 -0.421 17603 516 1 . 1 1 91 91 LEU CA C 91 55.070 55.070 54.003 1.067 17603 517 1 . 1 1 91 91 LEU CB C 91 42.810 42.810 43.135 -0.325 17603 518 1 . 1 1 91 91 LEU H H 91 7.477 7.477 7.357 0.120 17603 519 1 . 1 1 92 92 ASP N N 92 116.218 116.218 122.008 -5.789 17603 520 1 . 1 1 92 92 ASP HA H 92 4.566 4.566 4.480 0.086 17603 521 1 . 1 1 92 92 ASP C C 92 175.360 175.360 176.718 -1.358 17603 522 1 . 1 1 92 92 ASP CA C 92 52.587 52.587 53.968 -1.381 17603 523 1 . 1 1 92 92 ASP CB C 92 42.840 42.840 42.151 0.689 17603 524 1 . 1 1 92 92 ASP H H 92 7.440 7.440 8.455 -1.015 17603 525 1 . 1 1 93 93 ALA N N 93 119.801 119.801 122.082 -2.281 17603 526 1 . 1 1 93 93 ALA HA H 93 3.740 3.740 4.043 -0.303 17603 527 1 . 1 1 93 93 ALA C C 93 179.894 179.894 179.751 0.143 17603 528 1 . 1 1 93 93 ALA CA C 93 56.229 56.229 54.814 1.415 17603 529 1 . 1 1 93 93 ALA CB C 93 19.309 19.309 18.859 0.450 17603 530 1 . 1 1 93 93 ALA H H 93 8.682 8.682 8.538 0.144 17603 531 1 . 1 1 94 94 VAL N N 94 118.735 118.735 118.192 0.543 17603 532 1 . 1 1 94 94 VAL HA H 94 3.028 3.028 3.233 -0.204 17603 533 1 . 1 1 94 94 VAL C C 94 177.116 177.116 177.854 -0.738 17603 534 1 . 1 1 94 94 VAL CA C 94 65.718 65.718 65.781 -0.063 17603 535 1 . 1 1 94 94 VAL CB C 94 30.940 30.940 31.139 -0.198 17603 536 1 . 1 1 94 94 VAL H H 94 7.580 7.580 7.585 -0.005 17603 537 1 . 1 1 95 95 ARG N N 95 119.108 119.108 118.650 0.458 17603 538 1 . 1 1 95 95 ARG HA H 95 3.280 3.280 3.659 -0.379 17603 539 1 . 1 1 95 95 ARG C C 95 178.366 178.366 178.741 -0.375 17603 540 1 . 1 1 95 95 ARG CA C 95 60.414 60.414 59.406 1.008 17603 541 1 . 1 1 95 95 ARG CB C 95 30.423 30.423 29.981 0.442 17603 542 1 . 1 1 95 95 ARG H H 95 7.729 7.729 8.097 -0.368 17603 543 1 . 1 1 96 96 ARG N N 96 118.307 118.307 119.587 -1.280 17603 544 1 . 1 1 96 96 ARG HA H 96 3.654 3.654 3.985 -0.331 17603 545 1 . 1 1 96 96 ARG C C 96 177.841 177.841 178.400 -0.559 17603 546 1 . 1 1 96 96 ARG CA C 96 60.658 60.658 59.398 1.260 17603 547 1 . 1 1 96 96 ARG CB C 96 30.511 30.511 29.691 0.820 17603 548 1 . 1 1 96 96 ARG H H 96 8.638 8.638 8.397 0.241 17603 549 1 . 1 1 97 97 ALA N N 97 120.196 120.196 121.306 -1.110 17603 550 1 . 1 1 97 97 ALA HA H 97 3.987 3.987 4.008 -0.021 17603 551 1 . 1 1 97 97 ALA C C 97 178.768 178.768 178.947 -0.178 17603 552 1 . 1 1 97 97 ALA CA C 97 55.234 55.234 55.074 0.161 17603 553 1 . 1 1 97 97 ALA CB C 97 18.254 18.254 18.246 0.008 17603 554 1 . 1 1 97 97 ALA H H 97 7.019 7.019 7.447 -0.428 17603 555 1 . 1 1 98 98 ALA N N 98 119.143 119.143 121.093 -1.950 17603 556 1 . 1 1 98 98 ALA HA H 98 3.572 3.572 3.757 -0.185 17603 557 1 . 1 1 98 98 ALA C C 98 177.328 177.328 179.100 -1.772 17603 558 1 . 1 1 98 98 ALA CA C 98 55.437 55.437 54.518 0.919 17603 559 1 . 1 1 98 98 ALA CB C 98 15.893 15.893 17.503 -1.610 17603 560 1 . 1 1 98 98 ALA H H 98 7.097 7.097 7.216 -0.119 17603 561 1 . 1 1 99 99 ALA N N 99 119.971 119.971 121.507 -1.536 17603 562 1 . 1 1 99 99 ALA HA H 99 3.596 3.596 4.012 -0.416 17603 563 1 . 1 1 99 99 ALA C C 99 178.026 178.026 179.609 -1.583 17603 564 1 . 1 1 99 99 ALA CA C 99 55.384 55.384 55.166 0.218 17603 565 1 . 1 1 99 99 ALA CB C 99 18.417 18.417 18.693 -0.276 17603 566 1 . 1 1 99 99 ALA H H 99 7.665 7.665 7.681 -0.016 17603 567 1 . 1 1 100 100 ILE N N 100 116.372 116.372 117.881 -1.509 17603 568 1 . 1 1 100 100 ILE HA H 100 3.332 3.332 3.624 -0.292 17603 569 1 . 1 1 100 100 ILE C C 100 177.103 177.103 177.679 -0.576 17603 570 1 . 1 1 100 100 ILE CA C 100 64.658 64.658 65.280 -0.622 17603 571 1 . 1 1 100 100 ILE CB C 100 37.011 37.011 37.720 -0.709 17603 572 1 . 1 1 100 100 ILE H H 100 8.110 8.110 8.279 -0.169 17603 573 1 . 1 1 101 101 ASN N N 101 116.550 116.550 117.715 -1.165 17603 574 1 . 1 1 101 101 ASN HA H 101 3.887 3.887 4.522 -0.635 17603 575 1 . 1 1 101 101 ASN C C 101 177.350 177.350 177.572 -0.222 17603 576 1 . 1 1 101 101 ASN CA C 101 57.096 57.096 55.679 1.417 17603 577 1 . 1 1 101 101 ASN CB C 101 38.922 38.922 38.702 0.220 17603 578 1 . 1 1 101 101 ASN H H 101 8.098 8.098 7.869 0.229 17603 579 1 . 1 1 102 102 MET N N 102 114.177 114.177 117.915 -3.737 17603 580 1 . 1 1 102 102 MET HA H 102 3.746 3.746 4.061 -0.315 17603 581 1 . 1 1 102 102 MET C C 102 177.507 177.507 177.284 0.223 17603 582 1 . 1 1 102 102 MET CA C 102 60.473 60.473 57.181 3.292 17603 583 1 . 1 1 102 102 MET CB C 102 33.218 33.218 32.068 1.150 17603 584 1 . 1 1 102 102 MET H H 102 7.647 7.647 8.018 -0.371 17603 585 1 . 1 1 103 103 VAL N N 103 107.836 107.836 113.278 -5.442 17603 586 1 . 1 1 103 103 VAL HA H 103 4.198 4.198 4.066 0.132 17603 587 1 . 1 1 103 103 VAL C C 103 175.893 175.893 176.015 -0.122 17603 588 1 . 1 1 103 103 VAL CA C 103 60.939 60.939 61.998 -1.059 17603 589 1 . 1 1 103 103 VAL CB C 103 31.098 31.098 32.199 -1.101 17603 590 1 . 1 1 103 103 VAL H H 103 7.332 7.332 7.496 -0.164 17603 591 1 . 1 1 104 104 PHE N N 104 125.985 125.985 122.919 3.066 17603 592 1 . 1 1 104 104 PHE HA H 104 4.107 4.107 4.304 -0.197 17603 593 1 . 1 1 104 104 PHE C C 104 176.884 176.884 174.867 2.017 17603 594 1 . 1 1 104 104 PHE CA C 104 60.915 60.915 59.079 1.836 17603 595 1 . 1 1 104 104 PHE CB C 104 39.768 39.768 38.387 1.381 17603 596 1 . 1 1 104 104 PHE H H 104 7.978 7.978 7.582 0.396 17603 597 1 . 1 1 105 105 GLN N N 105 120.302 120.302 119.580 0.722 17603 598 1 . 1 1 105 105 GLN HA H 105 3.510 3.510 3.848 -0.338 17603 599 1 . 1 1 105 105 GLN C C 105 174.976 174.976 175.070 -0.094 17603 600 1 . 1 1 105 105 GLN CA C 105 57.730 57.730 56.447 1.283 17603 601 1 . 1 1 105 105 GLN CB C 105 27.304 27.304 26.923 0.382 17603 602 1 . 1 1 105 105 GLN H H 105 8.448 8.448 8.339 0.109 17603 603 1 . 1 1 106 106 MET N N 106 117.189 117.189 118.469 -1.280 17603 604 1 . 1 1 106 106 MET HA H 106 4.184 4.184 4.295 -0.111 17603 605 1 . 1 1 106 106 MET C C 106 176.961 176.961 176.008 0.953 17603 606 1 . 1 1 106 106 MET CA C 106 54.873 54.873 55.253 -0.380 17603 607 1 . 1 1 106 106 MET CB C 106 30.057 30.057 32.961 -2.904 17603 608 1 . 1 1 106 106 MET H H 106 8.987 8.987 7.835 1.152 17603 609 1 . 1 1 107 107 GLY N N 107 107.787 107.787 108.318 -0.531 17603 610 1 . 1 1 107 107 GLY C C 107 174.999 174.999 174.698 0.301 17603 611 1 . 1 1 107 107 GLY CA C 107 46.219 46.219 44.311 1.909 17603 612 1 . 1 1 107 107 GLY H H 107 7.777 7.777 7.819 -0.042 17603 613 1 . 1 1 108 108 GLU N N 108 123.604 123.604 121.203 2.401 17603 614 1 . 1 1 108 108 GLU HA H 108 3.984 3.984 4.009 -0.025 17603 615 1 . 1 1 108 108 GLU C C 108 179.574 179.574 178.509 1.065 17603 616 1 . 1 1 108 108 GLU CA C 108 59.944 59.944 59.795 0.149 17603 617 1 . 1 1 108 108 GLU CB C 108 29.939 29.939 29.678 0.261 17603 618 1 . 1 1 108 108 GLU H H 108 8.779 8.779 8.876 -0.097 17603 619 1 . 1 1 109 109 THR N N 109 111.822 111.822 114.384 -2.562 17603 620 1 . 1 1 109 109 THR HA H 109 4.176 4.176 4.173 0.003 17603 621 1 . 1 1 109 109 THR C C 109 178.459 178.459 176.654 1.805 17603 622 1 . 1 1 109 109 THR CA C 109 65.535 65.535 66.847 -1.312 17603 623 1 . 1 1 109 109 THR CB C 109 67.945 67.945 68.225 -0.280 17603 624 1 . 1 1 109 109 THR H H 109 8.576 8.576 8.343 0.233 17603 625 1 . 1 1 110 110 GLY N N 110 115.113 115.113 109.835 5.278 17603 626 1 . 1 1 110 110 GLY C C 110 175.653 175.653 175.838 -0.184 17603 627 1 . 1 1 110 110 GLY CA C 110 47.217 47.217 46.507 0.710 17603 628 1 . 1 1 110 110 GLY H H 110 8.521 8.521 8.089 0.432 17603 629 1 . 1 1 111 111 VAL N N 111 120.852 120.852 123.006 -2.154 17603 630 1 . 1 1 111 111 VAL HA H 111 3.521 3.521 3.661 -0.140 17603 631 1 . 1 1 111 111 VAL C C 111 179.689 179.689 177.895 1.794 17603 632 1 . 1 1 111 111 VAL CA C 111 67.054 67.054 66.289 0.765 17603 633 1 . 1 1 111 111 VAL CB C 111 31.832 31.832 31.716 0.117 17603 634 1 . 1 1 111 111 VAL H H 111 8.048 8.048 8.002 0.046 17603 635 1 . 1 1 112 112 ALA N N 112 124.525 124.525 122.246 2.279 17603 636 1 . 1 1 112 112 ALA HA H 112 4.142 4.142 4.014 0.129 17603 637 1 . 1 1 112 112 ALA C C 112 179.412 179.412 179.135 0.277 17603 638 1 . 1 1 112 112 ALA CA C 112 55.423 55.423 55.140 0.283 17603 639 1 . 1 1 112 112 ALA CB C 112 18.258 18.258 18.182 0.076 17603 640 1 . 1 1 112 112 ALA H H 112 8.255 8.255 8.191 0.064 17603 641 1 . 1 1 113 113 ALA N N 113 120.490 120.490 121.208 -0.718 17603 642 1 . 1 1 113 113 ALA HA H 113 4.182 4.182 4.158 0.024 17603 643 1 . 1 1 113 113 ALA C C 113 179.965 179.965 179.456 0.508 17603 644 1 . 1 1 113 113 ALA CA C 113 54.970 54.970 54.655 0.315 17603 645 1 . 1 1 113 113 ALA CB C 113 18.063 18.063 18.576 -0.513 17603 646 1 . 1 1 113 113 ALA H H 113 7.861 7.861 7.936 -0.075 17603 647 1 . 1 1 114 114 PHE N N 114 120.157 120.157 119.171 0.986 17603 648 1 . 1 1 114 114 PHE HA H 114 4.057 4.057 4.269 -0.212 17603 649 1 . 1 1 114 114 PHE C C 114 177.765 177.765 177.949 -0.184 17603 650 1 . 1 1 114 114 PHE CA C 114 59.933 59.933 60.018 -0.085 17603 651 1 . 1 1 114 114 PHE CB C 114 39.124 39.124 38.952 0.172 17603 652 1 . 1 1 114 114 PHE H H 114 8.126 8.126 8.343 -0.217 17603 653 1 . 1 1 115 115 THR N N 115 114.478 114.478 115.923 -1.446 17603 654 1 . 1 1 115 115 THR HA H 115 3.470 3.470 3.802 -0.333 17603 655 1 . 1 1 115 115 THR C C 115 176.924 176.924 176.672 0.252 17603 656 1 . 1 1 115 115 THR CA C 115 67.000 67.000 67.006 -0.006 17603 657 1 . 1 1 115 115 THR CB C 115 68.320 68.320 68.397 -0.077 17603 658 1 . 1 1 115 115 THR H H 115 8.504 8.504 8.409 0.095 17603 659 1 . 1 1 116 116 ASN N N 116 119.632 119.632 118.541 1.091 17603 660 1 . 1 1 116 116 ASN HA H 116 4.500 4.500 4.602 -0.102 17603 661 1 . 1 1 116 116 ASN C C 116 176.009 176.009 176.043 -0.034 17603 662 1 . 1 1 116 116 ASN CA C 116 57.243 57.243 55.088 2.155 17603 663 1 . 1 1 116 116 ASN CB C 116 38.600 38.600 38.218 0.382 17603 664 1 . 1 1 116 116 ASN H H 116 8.337 8.337 7.841 0.496 17603 665 1 . 1 1 117 117 SER N N 117 112.765 112.765 113.195 -0.430 17603 666 1 . 1 1 117 117 SER HA H 117 4.590 4.590 4.558 0.032 17603 667 1 . 1 1 117 117 SER C C 117 174.808 174.808 174.728 0.080 17603 668 1 . 1 1 117 117 SER CA C 117 59.470 59.470 58.494 0.976 17603 669 1 . 1 1 117 117 SER CB C 117 64.474 64.474 64.012 0.462 17603 670 1 . 1 1 117 117 SER H H 117 7.424 7.424 7.561 -0.137 17603 671 1 . 1 1 118 118 LEU N N 118 122.210 122.210 123.224 -1.014 17603 672 1 . 1 1 118 118 LEU CB C 118 39.650 39.650 39.285 0.366 17603 673 1 . 1 1 118 118 LEU H H 118 7.195 7.195 7.177 0.018 17603 674 1 . 1 1 119 119 PRO HA H 119 4.282 4.282 4.155 0.127 17603 675 1 . 1 1 119 119 PRO C C 119 179.207 179.207 178.682 0.525 17603 676 1 . 1 1 119 119 PRO CA C 119 66.239 66.239 66.013 0.226 17603 677 1 . 1 1 119 119 PRO CB C 119 30.970 30.970 31.347 -0.377 17603 678 1 . 1 1 120 120 MET N N 120 112.465 112.465 115.361 -2.896 17603 679 1 . 1 1 120 120 MET HA H 120 4.005 4.005 4.174 -0.169 17603 680 1 . 1 1 120 120 MET C C 120 178.137 178.137 178.418 -0.281 17603 681 1 . 1 1 120 120 MET CA C 120 58.747 58.747 57.583 1.164 17603 682 1 . 1 1 120 120 MET CB C 120 32.510 32.510 31.440 1.070 17603 683 1 . 1 1 120 120 MET H H 120 7.126 7.126 7.722 -0.597 17603 684 1 . 1 1 121 121 LEU N N 121 118.534 118.534 120.006 -1.472 17603 685 1 . 1 1 121 121 LEU HA H 121 3.841 3.841 3.928 -0.087 17603 686 1 . 1 1 121 121 LEU C C 121 180.140 180.140 179.767 0.373 17603 687 1 . 1 1 121 121 LEU CA C 121 57.379 57.379 58.019 -0.640 17603 688 1 . 1 1 121 121 LEU CB C 121 42.137 42.137 41.241 0.896 17603 689 1 . 1 1 121 121 LEU H H 121 7.695 7.695 7.931 -0.236 17603 690 1 . 1 1 122 122 GLN N N 122 119.537 119.537 119.265 0.272 17603 691 1 . 1 1 122 122 GLN HA H 122 3.862 3.862 4.025 -0.163 17603 692 1 . 1 1 122 122 GLN C C 122 176.722 176.722 177.809 -1.087 17603 693 1 . 1 1 122 122 GLN CA C 122 58.840 58.840 58.222 0.618 17603 694 1 . 1 1 122 122 GLN CB C 122 28.791 28.791 28.770 0.021 17603 695 1 . 1 1 122 122 GLN H H 122 8.845 8.845 8.325 0.520 17603 696 1 . 1 1 123 123 GLN N N 123 113.333 113.333 115.639 -2.306 17603 697 1 . 1 1 123 123 GLN HA H 123 4.154 4.154 4.207 -0.053 17603 698 1 . 1 1 123 123 GLN C C 123 174.075 174.075 175.065 -0.990 17603 699 1 . 1 1 123 123 GLN CA C 123 55.009 55.009 55.528 -0.518 17603 700 1 . 1 1 123 123 GLN CB C 123 29.733 29.733 28.887 0.846 17603 701 1 . 1 1 123 123 GLN H H 123 6.862 6.862 7.450 -0.588 17603 702 1 . 1 1 124 124 LYS N N 124 114.431 114.431 114.375 0.057 17603 703 1 . 1 1 124 124 LYS HA H 124 4.455 4.455 2.270 2.185 17603 704 1 . 1 1 124 124 LYS C C 124 174.727 174.727 175.146 -0.419 17603 705 1 . 1 1 124 124 LYS CA C 124 56.449 56.449 56.384 0.065 17603 706 1 . 1 1 124 124 LYS CB C 124 28.383 28.383 28.947 -0.564 17603 707 1 . 1 1 124 124 LYS H H 124 7.238 7.238 7.392 -0.154 17603 708 1 . 1 1 125 125 ARG N N 125 119.411 119.411 118.687 0.724 17603 709 1 . 1 1 125 125 ARG HA H 125 4.260 4.260 4.196 0.064 17603 710 1 . 1 1 125 125 ARG C C 125 177.251 177.251 176.311 0.940 17603 711 1 . 1 1 125 125 ARG CA C 125 53.573 53.573 54.376 -0.803 17603 712 1 . 1 1 125 125 ARG CB C 125 28.211 28.211 28.417 -0.206 17603 713 1 . 1 1 125 125 ARG H H 125 7.651 7.651 7.839 -0.188 17603 714 1 . 1 1 126 126 TRP N N 126 119.823 119.823 123.509 -3.686 17603 715 1 . 1 1 126 126 TRP HA H 126 4.322 4.322 4.260 0.062 17603 716 1 . 1 1 126 126 TRP C C 126 178.830 178.830 177.706 1.124 17603 717 1 . 1 1 126 126 TRP CA C 126 58.824 58.824 60.434 -1.610 17603 718 1 . 1 1 126 126 TRP CB C 126 31.461 31.461 29.298 2.163 17603 719 1 . 1 1 126 126 TRP H H 126 6.865 6.865 7.437 -0.572 17603 720 1 . 1 1 127 127 ASP N N 127 116.894 116.894 117.802 -0.908 17603 721 1 . 1 1 127 127 ASP HA H 127 4.400 4.400 4.408 -0.008 17603 722 1 . 1 1 127 127 ASP C C 127 178.748 178.748 178.540 0.208 17603 723 1 . 1 1 127 127 ASP CA C 127 57.685 57.685 57.963 -0.278 17603 724 1 . 1 1 127 127 ASP CB C 127 40.047 40.047 39.860 0.187 17603 725 1 . 1 1 127 127 ASP H H 127 8.598 8.598 8.855 -0.257 17603 726 1 . 1 1 128 128 GLU N N 128 120.788 120.788 120.373 0.415 17603 727 1 . 1 1 128 128 GLU HA H 128 3.974 3.974 4.037 -0.063 17603 728 1 . 1 1 128 128 GLU C C 128 180.057 180.057 178.345 1.712 17603 729 1 . 1 1 128 128 GLU CA C 128 59.526 59.526 59.109 0.417 17603 730 1 . 1 1 128 128 GLU CB C 128 29.871 29.871 28.922 0.949 17603 731 1 . 1 1 128 128 GLU H H 128 8.191 8.191 8.356 -0.165 17603 732 1 . 1 1 129 129 ALA N N 129 122.103 122.103 122.184 -0.081 17603 733 1 . 1 1 129 129 ALA HA H 129 3.970 3.970 3.963 0.007 17603 734 1 . 1 1 129 129 ALA C C 129 178.495 178.495 179.541 -1.046 17603 735 1 . 1 1 129 129 ALA CA C 129 55.043 55.043 55.186 -0.143 17603 736 1 . 1 1 129 129 ALA CB C 129 17.771 17.771 18.217 -0.446 17603 737 1 . 1 1 129 129 ALA H H 129 8.587 8.587 8.544 0.043 17603 738 1 . 1 1 130 130 ALA N N 130 119.336 119.336 121.230 -1.894 17603 739 1 . 1 1 130 130 ALA HA H 130 4.043 4.043 3.978 0.065 17603 740 1 . 1 1 130 130 ALA C C 130 179.804 179.804 179.662 0.142 17603 741 1 . 1 1 130 130 ALA CA C 130 55.818 55.818 55.154 0.665 17603 742 1 . 1 1 130 130 ALA CB C 130 18.896 18.896 18.470 0.426 17603 743 1 . 1 1 130 130 ALA H H 130 8.235 8.235 8.068 0.167 17603 744 1 . 1 1 131 131 VAL N N 131 118.685 118.685 118.755 -0.070 17603 745 1 . 1 1 131 131 VAL HA H 131 3.579 3.579 3.416 0.163 17603 746 1 . 1 1 131 131 VAL C C 131 178.078 178.078 178.135 -0.057 17603 747 1 . 1 1 131 131 VAL CA C 131 66.319 66.319 66.746 -0.427 17603 748 1 . 1 1 131 131 VAL CB C 131 32.135 32.135 31.484 0.651 17603 749 1 . 1 1 131 131 VAL H H 131 7.697 7.697 8.199 -0.502 17603 750 1 . 1 1 132 132 ASN N N 132 118.648 118.648 118.210 0.438 17603 751 1 . 1 1 132 132 ASN HA H 132 4.261 4.261 4.449 -0.188 17603 752 1 . 1 1 132 132 ASN C C 132 178.965 178.965 178.234 0.730 17603 753 1 . 1 1 132 132 ASN CA C 132 57.172 57.172 56.105 1.067 17603 754 1 . 1 1 132 132 ASN CB C 132 39.798 39.798 38.236 1.562 17603 755 1 . 1 1 132 132 ASN H H 132 7.569 7.569 8.097 -0.528 17603 756 1 . 1 1 133 133 LEU N N 133 120.750 120.750 120.426 0.324 17603 757 1 . 1 1 133 133 LEU HA H 133 4.226 4.226 4.315 -0.089 17603 758 1 . 1 1 133 133 LEU C C 133 179.956 179.956 179.167 0.789 17603 759 1 . 1 1 133 133 LEU CA C 133 58.077 58.077 57.646 0.431 17603 760 1 . 1 1 133 133 LEU CB C 133 44.013 44.013 42.011 2.002 17603 761 1 . 1 1 133 133 LEU H H 133 8.903 8.903 8.223 0.680 17603 762 1 . 1 1 134 134 ALA N N 134 121.339 121.339 120.184 1.155 17603 763 1 . 1 1 134 134 ALA HA H 134 3.652 3.652 3.568 0.084 17603 764 1 . 1 1 134 134 ALA C C 134 176.582 176.582 177.808 -1.226 17603 765 1 . 1 1 134 134 ALA CA C 134 53.195 53.195 53.901 -0.706 17603 766 1 . 1 1 134 134 ALA CB C 134 17.536 17.536 18.219 -0.683 17603 767 1 . 1 1 134 134 ALA H H 134 7.681 7.681 7.747 -0.066 17603 768 1 . 1 1 135 135 LYS N N 135 116.197 116.197 116.099 0.098 17603 769 1 . 1 1 135 135 LYS HA H 135 4.370 4.370 4.330 0.040 17603 770 1 . 1 1 135 135 LYS C C 135 176.573 176.573 176.535 0.038 17603 771 1 . 1 1 135 135 LYS CA C 135 55.564 55.564 55.705 -0.141 17603 772 1 . 1 1 135 135 LYS CB C 135 32.696 32.696 32.570 0.126 17603 773 1 . 1 1 135 135 LYS H H 135 7.168 7.168 7.658 -0.490 17603 774 1 . 1 1 136 136 SER N N 136 115.115 115.115 115.496 -0.381 17603 775 1 . 1 1 136 136 SER HA H 136 4.503 4.503 4.582 -0.078 17603 776 1 . 1 1 136 136 SER C C 136 174.968 174.968 175.482 -0.514 17603 777 1 . 1 1 136 136 SER CA C 136 58.565 58.565 57.497 1.068 17603 778 1 . 1 1 136 136 SER CB C 136 66.690 66.690 65.273 1.417 17603 779 1 . 1 1 136 136 SER H H 136 7.546 7.546 7.807 -0.261 17603 780 1 . 1 1 137 137 ARG N N 137 122.827 122.827 123.139 -0.312 17603 781 1 . 1 1 137 137 ARG HA H 137 4.197 4.197 4.170 0.027 17603 782 1 . 1 1 137 137 ARG C C 137 178.570 178.570 178.096 0.474 17603 783 1 . 1 1 137 137 ARG CA C 137 59.338 59.338 59.799 -0.461 17603 784 1 . 1 1 137 137 ARG CB C 137 29.792 29.792 30.241 -0.449 17603 785 1 . 1 1 137 137 ARG H H 137 8.786 8.786 9.026 -0.240 17603 786 1 . 1 1 138 138 TRP N N 138 119.297 119.297 121.204 -1.907 17603 787 1 . 1 1 138 138 TRP HA H 138 4.078 4.078 4.403 -0.325 17603 788 1 . 1 1 138 138 TRP C C 138 176.101 176.101 177.553 -1.451 17603 789 1 . 1 1 138 138 TRP CA C 138 61.807 61.807 60.025 1.782 17603 790 1 . 1 1 138 138 TRP CB C 138 28.775 28.775 29.125 -0.350 17603 791 1 . 1 1 138 138 TRP H H 138 8.256 8.256 8.271 -0.015 17603 792 1 . 1 1 139 139 TYR N N 139 117.950 117.950 119.348 -1.398 17603 793 1 . 1 1 139 139 TYR HA H 139 3.116 3.116 3.907 -0.791 17603 794 1 . 1 1 139 139 TYR C C 139 175.615 175.615 176.911 -1.296 17603 795 1 . 1 1 139 139 TYR CA C 139 60.801 60.801 61.373 -0.572 17603 796 1 . 1 1 139 139 TYR CB C 139 38.816 38.816 38.364 0.452 17603 797 1 . 1 1 139 139 TYR H H 139 7.786 7.786 7.853 -0.067 17603 798 1 . 1 1 140 140 ASN N N 140 111.511 111.511 116.493 -4.982 17603 799 1 . 1 1 140 140 ASN HA H 140 4.251 4.251 4.469 -0.218 17603 800 1 . 1 1 140 140 ASN C C 140 176.804 176.804 176.891 -0.087 17603 801 1 . 1 1 140 140 ASN CA C 140 55.359 55.359 55.246 0.113 17603 802 1 . 1 1 140 140 ASN CB C 140 39.590 39.590 38.202 1.388 17603 803 1 . 1 1 140 140 ASN H H 140 7.115 7.115 7.854 -0.739 17603 804 1 . 1 1 141 141 GLN N N 141 117.466 117.466 117.902 -0.436 17603 805 1 . 1 1 141 141 GLN HA H 141 4.113 4.113 4.193 -0.080 17603 806 1 . 1 1 141 141 GLN CA C 141 57.729 57.729 57.458 0.271 17603 807 1 . 1 1 141 141 GLN CB C 141 29.647 29.647 29.694 -0.047 17603 808 1 . 1 1 141 141 GLN H H 141 7.855 7.855 7.818 0.037 17603 809 1 . 1 1 142 142 THR N N 142 110.630 110.630 110.220 0.410 17603 810 1 . 1 1 142 142 THR CA C 142 56.326 56.326 59.225 -2.899 17603 811 1 . 1 1 142 142 THR CB C 142 69.490 69.490 69.356 0.134 17603 812 1 . 1 1 142 142 THR H H 142 6.964 6.964 7.671 -0.707 17603 813 1 . 1 1 143 143 PRO HA H 143 3.661 3.661 3.502 0.160 17603 814 1 . 1 1 143 143 PRO C C 143 178.494 178.494 177.656 0.838 17603 815 1 . 1 1 143 143 PRO CA C 143 65.612 65.612 64.741 0.871 17603 816 1 . 1 1 143 143 PRO CB C 143 31.872 31.872 31.499 0.373 17603 817 1 . 1 1 144 144 ASN N N 144 116.334 116.334 116.841 -0.507 17603 818 1 . 1 1 144 144 ASN HA H 144 4.315 4.315 4.351 -0.036 17603 819 1 . 1 1 144 144 ASN C C 144 177.341 177.341 177.162 0.179 17603 820 1 . 1 1 144 144 ASN CA C 144 56.668 56.668 56.154 0.514 17603 821 1 . 1 1 144 144 ASN CB C 144 37.666 37.666 37.617 0.050 17603 822 1 . 1 1 144 144 ASN H H 144 7.971 7.971 8.487 -0.516 17603 823 1 . 1 1 145 145 ARG N N 145 121.642 121.642 120.444 1.198 17603 824 1 . 1 1 145 145 ARG HA H 145 3.930 3.930 4.112 -0.182 17603 825 1 . 1 1 145 145 ARG C C 145 177.087 177.087 178.036 -0.949 17603 826 1 . 1 1 145 145 ARG CA C 145 58.135 58.135 59.117 -0.982 17603 827 1 . 1 1 145 145 ARG CB C 145 31.455 31.455 30.275 1.180 17603 828 1 . 1 1 145 145 ARG H H 145 7.750 7.750 8.093 -0.343 17603 829 1 . 1 1 146 146 ALA N N 146 119.316 119.316 121.969 -2.653 17603 830 1 . 1 1 146 146 ALA HA H 146 3.858 3.858 4.217 -0.359 17603 831 1 . 1 1 146 146 ALA C C 146 179.664 179.664 178.915 0.749 17603 832 1 . 1 1 146 146 ALA CA C 146 55.541 55.541 55.288 0.253 17603 833 1 . 1 1 146 146 ALA CB C 146 20.015 20.015 18.263 1.752 17603 834 1 . 1 1 146 146 ALA H H 146 8.429 8.429 8.270 0.159 17603 835 1 . 1 1 147 147 LYS N N 147 116.714 116.714 119.048 -2.334 17603 836 1 . 1 1 147 147 LYS HA H 147 4.041 4.041 4.083 -0.042 17603 837 1 . 1 1 147 147 LYS C C 147 179.974 179.974 178.954 1.020 17603 838 1 . 1 1 147 147 LYS CA C 147 60.729 60.729 59.959 0.770 17603 839 1 . 1 1 147 147 LYS CB C 147 32.788 32.788 32.340 0.448 17603 840 1 . 1 1 147 147 LYS H H 147 8.253 8.253 8.049 0.204 17603 841 1 . 1 1 148 148 ARG N N 148 119.234 119.234 118.876 0.358 17603 842 1 . 1 1 148 148 ARG HA H 148 3.833 3.833 3.941 -0.108 17603 843 1 . 1 1 148 148 ARG C C 148 180.146 180.146 178.954 1.192 17603 844 1 . 1 1 148 148 ARG CA C 148 60.793 60.793 59.307 1.486 17603 845 1 . 1 1 148 148 ARG CB C 148 30.238 30.238 30.039 0.199 17603 846 1 . 1 1 148 148 ARG H H 148 7.279 7.279 7.716 -0.437 17603 847 1 . 1 1 149 149 VAL N N 149 125.307 125.307 120.500 4.807 17603 848 1 . 1 1 149 149 VAL HA H 149 3.457 3.457 3.766 -0.309 17603 849 1 . 1 1 149 149 VAL C C 149 178.460 178.460 178.286 0.174 17603 850 1 . 1 1 149 149 VAL CA C 149 68.168 68.168 66.581 1.587 17603 851 1 . 1 1 149 149 VAL CB C 149 32.455 32.455 31.971 0.484 17603 852 1 . 1 1 149 149 VAL H H 149 8.816 8.816 7.727 1.089 17603 853 1 . 1 1 150 150 ILE N N 150 121.097 121.097 120.952 0.145 17603 854 1 . 1 1 150 150 ILE HA H 150 3.886 3.886 3.927 -0.041 17603 855 1 . 1 1 150 150 ILE C C 150 178.378 178.378 178.157 0.221 17603 856 1 . 1 1 150 150 ILE CA C 150 67.368 67.368 65.868 1.500 17603 857 1 . 1 1 150 150 ILE CB C 150 37.699 37.699 37.866 -0.167 17603 858 1 . 1 1 150 150 ILE H H 150 9.547 9.547 8.908 0.639 17603 859 1 . 1 1 151 151 THR N N 151 117.959 117.959 116.798 1.161 17603 860 1 . 1 1 151 151 THR HA H 151 3.933 3.933 4.034 -0.101 17603 861 1 . 1 1 151 151 THR C C 151 176.283 176.283 176.561 -0.279 17603 862 1 . 1 1 151 151 THR CA C 151 67.403 67.403 67.648 -0.245 17603 863 1 . 1 1 151 151 THR CB C 151 68.172 68.172 68.355 -0.183 17603 864 1 . 1 1 151 151 THR H H 151 8.444 8.444 8.530 -0.086 17603 865 1 . 1 1 152 152 THR N N 152 122.010 122.010 119.754 2.256 17603 866 1 . 1 1 152 152 THR HA H 152 3.944 3.944 4.194 -0.250 17603 867 1 . 1 1 152 152 THR C C 152 176.671 176.671 176.303 0.368 17603 868 1 . 1 1 152 152 THR CA C 152 67.498 67.498 66.875 0.623 17603 869 1 . 1 1 152 152 THR H H 152 7.964 7.964 7.772 0.192 17603 870 1 . 1 1 153 153 PHE N N 153 120.387 120.387 121.281 -0.894 17603 871 1 . 1 1 153 153 PHE HA H 153 3.953 3.953 4.114 -0.161 17603 872 1 . 1 1 153 153 PHE C C 153 178.321 178.321 177.417 0.904 17603 873 1 . 1 1 153 153 PHE CA C 153 62.709 62.709 61.576 1.133 17603 874 1 . 1 1 153 153 PHE CB C 153 39.340 39.340 38.405 0.935 17603 875 1 . 1 1 153 153 PHE H H 153 8.375 8.375 8.248 0.127 17603 876 1 . 1 1 154 154 ARG N N 154 118.015 118.015 119.608 -1.593 17603 877 1 . 1 1 154 154 ARG HA H 154 4.070 4.070 4.182 -0.112 17603 878 1 . 1 1 154 154 ARG C C 154 178.076 178.076 178.501 -0.425 17603 879 1 . 1 1 154 154 ARG CA C 154 60.362 60.362 59.924 0.439 17603 880 1 . 1 1 154 154 ARG CB C 154 31.546 31.546 30.573 0.972 17603 881 1 . 1 1 154 154 ARG H H 154 8.795 8.795 8.430 0.365 17603 882 1 . 1 1 155 155 THR N N 155 104.622 104.622 108.831 -4.209 17603 883 1 . 1 1 155 155 THR HA H 155 4.252 4.252 4.301 -0.049 17603 884 1 . 1 1 155 155 THR C C 155 176.765 176.765 175.757 1.008 17603 885 1 . 1 1 155 155 THR CA C 155 62.470 62.470 62.123 0.347 17603 886 1 . 1 1 155 155 THR CB C 155 71.330 71.330 69.925 1.405 17603 887 1 . 1 1 155 155 THR H H 155 8.169 8.169 7.912 0.257 17603 888 1 . 1 1 156 156 GLY N N 156 111.689 111.689 112.334 -0.645 17603 889 1 . 1 1 156 156 GLY C C 156 172.933 172.933 174.177 -1.245 17603 890 1 . 1 1 156 156 GLY CA C 156 46.167 46.167 45.928 0.239 17603 891 1 . 1 1 156 156 GLY H H 156 8.491 8.491 8.023 0.468 17603 892 1 . 1 1 157 157 THR N N 157 108.301 108.301 110.541 -2.240 17603 893 1 . 1 1 157 157 THR HA H 157 4.637 4.637 4.376 0.261 17603 894 1 . 1 1 157 157 THR C C 157 174.086 174.086 173.030 1.056 17603 895 1 . 1 1 157 157 THR CA C 157 58.748 58.748 59.393 -0.645 17603 896 1 . 1 1 157 157 THR CB C 157 72.418 72.418 71.522 0.896 17603 897 1 . 1 1 157 157 THR H H 157 7.603 7.603 7.258 0.345 17603 898 1 . 1 1 158 158 TRP N N 158 118.038 118.038 119.697 -1.659 17603 899 1 . 1 1 158 158 TRP HA H 158 5.064 5.064 4.934 0.130 17603 900 1 . 1 1 158 158 TRP C C 158 177.922 177.922 176.861 1.061 17603 901 1 . 1 1 158 158 TRP CA C 158 56.346 56.346 56.459 -0.113 17603 902 1 . 1 1 158 158 TRP CB C 158 29.779 29.779 29.359 0.420 17603 903 1 . 1 1 158 158 TRP H H 158 8.602 8.602 8.603 -0.001 17603 904 1 . 1 1 159 159 ASP N N 159 119.620 119.620 122.134 -2.514 17603 905 1 . 1 1 159 159 ASP HA H 159 4.193 4.193 4.458 -0.265 17603 906 1 . 1 1 159 159 ASP C C 159 177.407 177.407 178.089 -0.682 17603 907 1 . 1 1 159 159 ASP CA C 159 58.779 58.779 57.612 1.167 17603 908 1 . 1 1 159 159 ASP CB C 159 40.674 40.674 40.250 0.424 17603 909 1 . 1 1 159 159 ASP H H 159 7.909 7.909 7.832 0.077 17603 910 1 . 1 1 160 160 ALA N N 160 119.985 119.985 121.163 -1.178 17603 911 1 . 1 1 160 160 ALA HA H 160 4.201 4.201 4.177 0.024 17603 912 1 . 1 1 160 160 ALA C C 160 177.362 177.362 177.926 -0.564 17603 913 1 . 1 1 160 160 ALA CA C 160 53.729 53.729 53.658 0.071 17603 914 1 . 1 1 160 160 ALA CB C 160 18.618 18.618 18.525 0.093 17603 915 1 . 1 1 160 160 ALA H H 160 9.187 9.187 8.339 0.848 17603 916 1 . 1 1 161 161 TYR N N 161 113.735 113.735 113.328 0.407 17603 917 1 . 1 1 161 161 TYR HA H 161 4.247 4.247 4.639 -0.392 17603 918 1 . 1 1 161 161 TYR C C 161 175.125 175.125 177.429 -2.304 17603 919 1 . 1 1 161 161 TYR CA C 161 58.909 58.909 58.239 0.670 17603 920 1 . 1 1 161 161 TYR CB C 161 39.856 39.856 39.420 0.436 17603 921 1 . 1 1 161 161 TYR H H 161 8.061 8.061 8.013 0.048 17603 922 1 . 1 1 162 162 LYS N N 162 119.491 119.491 120.378 -0.887 17603 923 1 . 1 1 162 162 LYS HA H 162 4.149 4.149 4.224 -0.075 17603 924 1 . 1 1 162 162 LYS C C 162 176.030 176.030 177.861 -1.831 17603 925 1 . 1 1 162 162 LYS CA C 162 57.458 57.458 58.399 -0.941 17603 926 1 . 1 1 162 162 LYS CB C 162 29.128 29.128 32.179 -3.051 17603 927 1 . 1 1 162 162 LYS H H 162 7.262 7.262 7.667 -0.405 17603 928 1 . 1 1 163 163 ASN N N 163 117.131 117.131 115.963 1.168 17603 929 1 . 1 1 163 163 ASN HA H 163 4.590 4.590 4.681 -0.091 17603 930 1 . 1 1 163 163 ASN C C 163 173.691 173.691 175.323 -1.632 17603 931 1 . 1 1 163 163 ASN CA C 163 53.884 53.884 53.505 0.379 17603 932 1 . 1 1 163 163 ASN CB C 163 38.142 38.142 39.060 -0.918 17603 933 1 . 1 1 163 163 ASN H H 163 8.457 8.457 8.406 0.051 17603 stop_ save_