data_18485 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18485 _Entry.PDB_ID 2LTK 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 18485 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.417 -0.005 18485 2 1 1 . 1 1 2 2 ALA C C 2 177.283 177.283 176.820 0.463 18485 3 1 1 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.976 0.308 18485 4 1 1 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.635 -0.131 18485 5 1 1 . 1 1 3 3 MET N N 3 121.052 121.052 124.272 -3.220 18485 6 1 1 . 1 1 3 3 MET HA H 3 4.458 4.458 4.611 -0.153 18485 7 1 1 . 1 1 3 3 MET C C 3 175.185 175.185 176.018 -0.833 18485 8 1 1 . 1 1 3 3 MET CA C 3 56.001 56.001 55.230 0.771 18485 9 1 1 . 1 1 3 3 MET CB C 3 34.282 34.282 32.871 1.411 18485 10 1 1 . 1 1 3 3 MET H H 3 8.313 8.313 8.452 -0.139 18485 11 1 1 . 1 1 4 4 VAL N N 4 116.976 116.976 121.008 -4.032 18485 12 1 1 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.708 -0.066 18485 13 1 1 . 1 1 4 4 VAL C C 4 176.976 176.976 177.139 -0.163 18485 14 1 1 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.963 -0.211 18485 15 1 1 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.145 0.733 18485 16 1 1 . 1 1 4 4 VAL H H 4 8.432 8.432 8.290 0.142 18485 17 1 1 . 1 1 5 5 LYS N N 5 123.795 123.795 122.804 0.991 18485 18 1 1 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.116 -0.530 18485 19 1 1 . 1 1 5 5 LYS C C 5 178.205 178.205 178.450 -0.245 18485 20 1 1 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.599 1.463 18485 21 1 1 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.101 0.122 18485 22 1 1 . 1 1 5 5 LYS H H 5 8.725 8.725 8.817 -0.092 18485 23 1 1 . 1 1 6 6 LYS N N 6 117.559 117.559 118.514 -0.955 18485 24 1 1 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.112 -0.038 18485 25 1 1 . 1 1 6 6 LYS C C 6 176.976 176.976 178.465 -1.489 18485 26 1 1 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.198 -0.179 18485 27 1 1 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.130 0.528 18485 28 1 1 . 1 1 6 6 LYS H H 6 8.395 8.395 8.439 -0.044 18485 29 1 1 . 1 1 7 7 ASP N N 7 116.710 116.710 119.990 -3.280 18485 30 1 1 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.513 -0.149 18485 31 1 1 . 1 1 7 7 ASP C C 7 179.180 179.180 178.483 0.697 18485 32 1 1 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.261 0.149 18485 33 1 1 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.545 0.330 18485 34 1 1 . 1 1 7 7 ASP H H 7 7.415 7.415 8.090 -0.675 18485 35 1 1 . 1 1 8 8 ILE N N 8 120.990 120.990 120.359 0.631 18485 36 1 1 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.542 -0.265 18485 37 1 1 . 1 1 8 8 ILE C C 8 177.537 177.537 177.646 -0.109 18485 38 1 1 . 1 1 8 8 ILE CA C 8 64.560 64.560 65.077 -0.517 18485 39 1 1 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.394 -0.325 18485 40 1 1 . 1 1 8 8 ILE H H 8 7.302 7.302 7.248 0.054 18485 41 1 1 . 1 1 9 9 ASP N N 9 120.214 120.214 120.557 -0.343 18485 42 1 1 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.492 -0.285 18485 43 1 1 . 1 1 9 9 ASP C C 9 178.564 178.564 178.482 0.082 18485 44 1 1 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.637 0.371 18485 45 1 1 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.072 0.810 18485 46 1 1 . 1 1 9 9 ASP H H 9 7.884 7.884 8.074 -0.190 18485 47 1 1 . 1 1 10 10 ASP N N 10 117.314 117.314 118.111 -0.797 18485 48 1 1 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.540 -0.216 18485 49 1 1 . 1 1 10 10 ASP C C 10 179.340 179.340 178.538 0.802 18485 50 1 1 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.164 0.022 18485 51 1 1 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.239 -1.326 18485 52 1 1 . 1 1 10 10 ASP H H 10 8.856 8.856 8.241 0.615 18485 53 1 1 . 1 1 11 11 THR N N 11 119.032 119.032 116.540 2.492 18485 54 1 1 . 1 1 11 11 THR HA H 11 4.061 4.061 4.073 -0.012 18485 55 1 1 . 1 1 11 11 THR C C 11 175.574 175.574 176.341 -0.767 18485 56 1 1 . 1 1 11 11 THR CA C 11 67.210 67.210 66.814 0.396 18485 57 1 1 . 1 1 11 11 THR CB C 11 68.319 68.319 68.833 -0.514 18485 58 1 1 . 1 1 11 11 THR H H 11 7.670 7.670 7.869 -0.199 18485 59 1 1 . 1 1 12 12 ILE N N 12 122.228 122.228 121.503 0.725 18485 60 1 1 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.732 -0.093 18485 61 1 1 . 1 1 12 12 ILE C C 12 177.455 177.455 177.599 -0.144 18485 62 1 1 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.073 -0.164 18485 63 1 1 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.681 -0.103 18485 64 1 1 . 1 1 12 12 ILE H H 12 8.303 8.303 8.413 -0.110 18485 65 1 1 . 1 1 13 13 LYS N N 13 114.462 114.462 117.703 -3.241 18485 66 1 1 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.211 -0.077 18485 67 1 1 . 1 1 13 13 LYS C C 13 177.547 177.547 177.797 -0.250 18485 68 1 1 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.104 0.296 18485 69 1 1 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.322 0.684 18485 70 1 1 . 1 1 13 13 LYS H H 13 7.709 7.709 7.442 0.267 18485 71 1 1 . 1 1 14 14 SER N N 14 112.642 112.642 114.125 -1.483 18485 72 1 1 . 1 1 14 14 SER HA H 14 4.551 4.551 4.446 0.105 18485 73 1 1 . 1 1 14 14 SER C C 14 174.532 174.532 175.134 -0.602 18485 74 1 1 . 1 1 14 14 SER CA C 14 59.744 59.744 60.169 -0.425 18485 75 1 1 . 1 1 14 14 SER CB C 14 65.009 65.009 64.148 0.861 18485 76 1 1 . 1 1 14 14 SER H H 14 7.749 7.749 7.397 0.352 18485 77 1 1 . 1 1 15 15 GLU N N 15 121.266 121.266 120.775 0.491 18485 78 1 1 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.418 0.146 18485 79 1 1 . 1 1 15 15 GLU C C 15 176.789 176.789 176.320 0.469 18485 80 1 1 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.732 -1.287 18485 81 1 1 . 1 1 15 15 GLU CB C 15 30.326 30.326 31.495 -1.169 18485 82 1 1 . 1 1 15 15 GLU H H 15 8.101 8.101 8.064 0.037 18485 83 1 1 . 1 1 16 16 ASP N N 16 122.253 122.253 120.237 2.016 18485 84 1 1 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.721 -0.381 18485 85 1 1 . 1 1 16 16 ASP C C 16 176.469 176.469 175.745 0.724 18485 86 1 1 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.287 2.472 18485 87 1 1 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.072 -1.254 18485 88 1 1 . 1 1 16 16 ASP H H 16 8.685 8.685 8.803 -0.118 18485 89 1 1 . 1 1 17 17 VAL N N 17 118.536 118.536 118.655 -0.119 18485 90 1 1 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.954 -0.039 18485 91 1 1 . 1 1 17 17 VAL C C 17 174.452 174.452 174.367 0.085 18485 92 1 1 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.221 0.682 18485 93 1 1 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.923 -0.547 18485 94 1 1 . 1 1 17 17 VAL H H 17 8.547 8.547 7.654 0.893 18485 95 1 1 . 1 1 18 18 VAL N N 18 125.917 125.917 127.666 -1.749 18485 96 1 1 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.199 0.056 18485 97 1 1 . 1 1 18 18 VAL C C 18 174.158 174.158 174.581 -0.423 18485 98 1 1 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.739 -0.637 18485 99 1 1 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.371 -0.316 18485 100 1 1 . 1 1 18 18 VAL H H 18 8.755 8.755 9.179 -0.424 18485 101 1 1 . 1 1 19 19 THR N N 19 120.107 120.107 117.606 2.501 18485 102 1 1 . 1 1 19 19 THR HA H 19 5.795 5.795 5.279 0.516 18485 103 1 1 . 1 1 19 19 THR C C 19 171.126 171.126 172.805 -1.679 18485 104 1 1 . 1 1 19 19 THR CA C 19 58.118 58.118 60.235 -2.117 18485 105 1 1 . 1 1 19 19 THR CB C 19 72.547 72.547 71.709 0.838 18485 106 1 1 . 1 1 19 19 THR H H 19 8.938 8.938 8.540 0.398 18485 107 1 1 . 1 1 20 20 PHE N N 20 125.287 125.287 125.696 -0.409 18485 108 1 1 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.561 -0.057 18485 109 1 1 . 1 1 20 20 PHE C C 20 175.200 175.200 175.074 0.126 18485 110 1 1 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.831 -0.333 18485 111 1 1 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.162 0.499 18485 112 1 1 . 1 1 20 20 PHE H H 20 8.230 8.230 8.383 -0.153 18485 113 1 1 . 1 1 21 21 ILE N N 21 114.660 114.660 116.982 -2.322 18485 114 1 1 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.884 -0.072 18485 115 1 1 . 1 1 21 21 ILE C C 21 173.918 173.918 174.374 -0.456 18485 116 1 1 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.251 0.112 18485 117 1 1 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.547 1.273 18485 118 1 1 . 1 1 21 21 ILE H H 21 9.042 9.042 9.291 -0.249 18485 119 1 1 . 1 1 22 22 LYS N N 22 117.197 117.197 123.318 -6.121 18485 120 1 1 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.512 0.091 18485 121 1 1 . 1 1 22 22 LYS C C 22 175.935 175.935 175.722 0.213 18485 122 1 1 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.896 0.802 18485 123 1 1 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.325 1.868 18485 124 1 1 . 1 1 22 22 LYS H H 22 8.581 8.581 8.538 0.043 18485 125 1 1 . 1 1 23 23 GLY N N 23 117.108 117.108 107.886 9.222 18485 126 1 1 . 1 1 23 23 GLY C C 23 170.793 170.793 172.678 -1.885 18485 127 1 1 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.668 -0.031 18485 128 1 1 . 1 1 23 23 GLY H H 23 9.178 9.178 7.652 1.526 18485 129 1 1 . 1 1 24 24 LEU N N 24 117.859 117.859 121.102 -3.243 18485 130 1 1 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.503 0.357 18485 131 1 1 . 1 1 24 24 LEU C C 24 176.709 176.709 177.847 -1.138 18485 132 1 1 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.533 -1.583 18485 133 1 1 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.487 1.521 18485 134 1 1 . 1 1 24 24 LEU H H 24 7.162 7.162 8.468 -1.306 18485 135 1 1 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.433 -0.480 18485 136 1 1 . 1 1 25 25 PRO C C 25 177.190 177.190 177.067 0.123 18485 137 1 1 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.832 1.490 18485 138 1 1 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.160 -0.436 18485 139 1 1 . 1 1 26 26 GLU N N 26 111.260 111.260 115.220 -3.960 18485 140 1 1 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.273 -0.068 18485 141 1 1 . 1 1 26 26 GLU C C 26 176.429 176.429 176.435 -0.006 18485 142 1 1 . 1 1 26 26 GLU CA C 26 56.743 56.743 56.857 -0.114 18485 143 1 1 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.669 -0.971 18485 144 1 1 . 1 1 26 26 GLU H H 26 8.807 8.807 8.525 0.282 18485 145 1 1 . 1 1 27 27 ALA N N 27 122.547 122.547 123.610 -1.063 18485 146 1 1 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.686 -0.099 18485 147 1 1 . 1 1 27 27 ALA C C 27 172.342 172.342 174.774 -2.432 18485 148 1 1 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.900 0.984 18485 149 1 1 . 1 1 27 27 ALA CB C 27 18.695 18.695 19.010 -0.315 18485 150 1 1 . 1 1 27 27 ALA H H 27 7.856 7.856 7.434 0.422 18485 151 1 1 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.481 0.161 18485 152 1 1 . 1 1 28 28 PRO C C 28 178.512 178.512 176.414 2.098 18485 153 1 1 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.778 0.328 18485 154 1 1 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.674 -0.609 18485 155 1 1 . 1 1 29 29 MET N N 29 119.426 119.426 119.601 -0.175 18485 156 1 1 . 1 1 29 29 MET HA H 29 4.758 4.758 4.624 0.134 18485 157 1 1 . 1 1 29 29 MET C C 29 175.374 175.374 175.917 -0.543 18485 158 1 1 . 1 1 29 29 MET CA C 29 54.594 54.594 56.064 -1.470 18485 159 1 1 . 1 1 29 29 MET CB C 29 33.036 33.036 33.071 -0.035 18485 160 1 1 . 1 1 29 29 MET H H 29 8.828 8.828 8.779 0.049 18485 161 1 1 . 1 1 30 30 CYS N N 30 116.089 116.089 117.788 -1.699 18485 162 1 1 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.661 0.191 18485 163 1 1 . 1 1 30 30 CYS C C 30 176.028 176.028 174.023 2.005 18485 164 1 1 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.770 0.955 18485 165 1 1 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.477 1.782 18485 166 1 1 . 1 1 30 30 CYS H H 30 7.455 7.455 7.535 -0.080 18485 167 1 1 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.071 0.009 18485 168 1 1 . 1 1 31 31 ALA C C 31 180.222 180.222 178.312 1.910 18485 169 1 1 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.475 0.219 18485 170 1 1 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.541 0.140 18485 171 1 1 . 1 1 32 32 TYR N N 32 121.972 121.972 117.009 4.963 18485 172 1 1 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.229 0.104 18485 173 1 1 . 1 1 32 32 TYR C C 32 178.673 178.673 178.247 0.426 18485 174 1 1 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.989 -1.060 18485 175 1 1 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.467 -0.430 18485 176 1 1 . 1 1 32 32 TYR H H 32 8.846 8.846 8.272 0.574 18485 177 1 1 . 1 1 33 33 SER N N 33 125.375 125.375 115.142 10.233 18485 178 1 1 . 1 1 33 33 SER HA H 33 4.013 4.013 4.210 -0.197 18485 179 1 1 . 1 1 33 33 SER C C 33 174.906 174.906 176.213 -1.307 18485 180 1 1 . 1 1 33 33 SER CA C 33 64.417 64.417 62.262 2.155 18485 181 1 1 . 1 1 33 33 SER CB C 33 62.687 62.687 62.527 0.160 18485 182 1 1 . 1 1 33 33 SER H H 33 10.272 10.272 7.706 2.566 18485 183 1 1 . 1 1 34 34 LYS N N 34 121.216 121.216 122.708 -1.492 18485 184 1 1 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.976 -0.123 18485 185 1 1 . 1 1 34 34 LYS C C 34 177.083 177.083 178.764 -1.681 18485 186 1 1 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.974 0.689 18485 187 1 1 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.238 -0.088 18485 188 1 1 . 1 1 34 34 LYS H H 34 8.024 8.024 7.804 0.220 18485 189 1 1 . 1 1 35 35 ARG N N 35 117.269 117.269 119.056 -1.787 18485 190 1 1 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.112 0.037 18485 191 1 1 . 1 1 35 35 ARG C C 35 178.058 178.058 178.917 -0.859 18485 192 1 1 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.258 0.718 18485 193 1 1 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.867 -0.155 18485 194 1 1 . 1 1 35 35 ARG H H 35 7.559 7.559 8.277 -0.718 18485 195 1 1 . 1 1 36 36 MET N N 36 117.954 117.954 119.731 -1.777 18485 196 1 1 . 1 1 36 36 MET HA H 36 4.068 4.068 4.107 -0.039 18485 197 1 1 . 1 1 36 36 MET C C 36 176.963 176.963 177.771 -0.808 18485 198 1 1 . 1 1 36 36 MET CA C 36 58.195 58.195 59.450 -1.254 18485 199 1 1 . 1 1 36 36 MET CB C 36 31.742 31.742 32.823 -1.081 18485 200 1 1 . 1 1 36 36 MET H H 36 8.027 8.027 8.074 -0.047 18485 201 1 1 . 1 1 37 37 ILE N N 37 118.650 118.650 119.142 -0.492 18485 202 1 1 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.470 0.050 18485 203 1 1 . 1 1 37 37 ILE C C 37 177.631 177.631 177.878 -0.247 18485 204 1 1 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.858 -1.985 18485 205 1 1 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.432 -1.260 18485 206 1 1 . 1 1 37 37 ILE H H 37 7.825 7.825 7.829 -0.004 18485 207 1 1 . 1 1 38 38 ASP N N 38 119.229 119.229 119.697 -0.468 18485 208 1 1 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.375 -0.045 18485 209 1 1 . 1 1 38 38 ASP C C 38 180.208 180.208 178.719 1.489 18485 210 1 1 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.688 -0.158 18485 211 1 1 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.747 -0.777 18485 212 1 1 . 1 1 38 38 ASP H H 38 8.629 8.629 8.208 0.421 18485 213 1 1 . 1 1 39 39 VAL N N 39 121.475 121.475 120.350 1.125 18485 214 1 1 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.705 -0.130 18485 215 1 1 . 1 1 39 39 VAL C C 39 177.056 177.056 177.608 -0.552 18485 216 1 1 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.001 0.809 18485 217 1 1 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.798 -0.303 18485 218 1 1 . 1 1 39 39 VAL H H 39 7.879 7.879 7.370 0.509 18485 219 1 1 . 1 1 40 40 LEU N N 40 118.145 118.145 119.329 -1.184 18485 220 1 1 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.817 -0.043 18485 221 1 1 . 1 1 40 40 LEU C C 40 179.794 179.794 178.916 0.878 18485 222 1 1 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.034 0.130 18485 223 1 1 . 1 1 40 40 LEU CB C 40 40.597 40.597 40.823 -0.226 18485 224 1 1 . 1 1 40 40 LEU H H 40 7.574 7.574 7.425 0.149 18485 225 1 1 . 1 1 41 41 GLU N N 41 116.305 116.305 119.117 -2.812 18485 226 1 1 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.174 0.123 18485 227 1 1 . 1 1 41 41 GLU C C 41 181.117 181.117 179.565 1.552 18485 228 1 1 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.340 -0.788 18485 229 1 1 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.694 -0.573 18485 230 1 1 . 1 1 41 41 GLU H H 41 8.871 8.871 8.689 0.182 18485 231 1 1 . 1 1 42 42 ALA N N 42 124.797 124.797 122.503 2.294 18485 232 1 1 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.169 -0.004 18485 233 1 1 . 1 1 42 42 ALA C C 42 180.275 180.275 178.946 1.329 18485 234 1 1 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.620 0.360 18485 235 1 1 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.634 -0.975 18485 236 1 1 . 1 1 42 42 ALA H H 42 8.285 8.285 8.102 0.183 18485 237 1 1 . 1 1 43 43 LEU N N 43 115.767 115.767 115.763 0.004 18485 238 1 1 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.317 -0.068 18485 239 1 1 . 1 1 43 43 LEU C C 43 177.177 177.177 176.763 0.414 18485 240 1 1 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.362 1.044 18485 241 1 1 . 1 1 43 43 LEU CB C 43 43.483 43.483 41.881 1.602 18485 242 1 1 . 1 1 43 43 LEU H H 43 7.528 7.528 7.628 -0.100 18485 243 1 1 . 1 1 44 44 GLY N N 44 108.593 108.593 107.221 1.372 18485 244 1 1 . 1 1 44 44 GLY C C 44 175.011 175.011 174.658 0.353 18485 245 1 1 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.320 1.021 18485 246 1 1 . 1 1 44 44 GLY H H 44 7.927 7.927 7.636 0.291 18485 247 1 1 . 1 1 45 45 LEU N N 45 117.269 117.269 118.546 -1.277 18485 248 1 1 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.931 -0.479 18485 249 1 1 . 1 1 45 45 LEU C C 45 176.976 176.976 177.103 -0.127 18485 250 1 1 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.652 0.748 18485 251 1 1 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.064 -0.348 18485 252 1 1 . 1 1 45 45 LEU H H 45 7.482 7.482 7.986 -0.504 18485 253 1 1 . 1 1 46 46 GLU N N 46 121.177 121.177 121.048 0.129 18485 254 1 1 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.412 0.051 18485 255 1 1 . 1 1 46 46 GLU C C 46 176.135 176.135 174.802 1.333 18485 256 1 1 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.420 0.104 18485 257 1 1 . 1 1 46 46 GLU CB C 46 30.233 30.233 31.476 -1.243 18485 258 1 1 . 1 1 46 46 GLU H H 46 8.250 8.250 8.755 -0.505 18485 259 1 1 . 1 1 47 47 TYR N N 47 119.617 119.617 118.833 0.784 18485 260 1 1 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.228 0.070 18485 261 1 1 . 1 1 47 47 TYR C C 47 173.798 173.798 174.553 -0.755 18485 262 1 1 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.567 0.257 18485 263 1 1 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.021 1.050 18485 264 1 1 . 1 1 47 47 TYR H H 47 7.874 7.874 7.689 0.185 18485 265 1 1 . 1 1 48 48 THR N N 48 117.577 117.577 118.728 -1.151 18485 266 1 1 . 1 1 48 48 THR HA H 48 4.266 4.266 4.427 -0.161 18485 267 1 1 . 1 1 48 48 THR C C 48 171.941 171.941 173.030 -1.089 18485 268 1 1 . 1 1 48 48 THR CA C 48 62.299 62.299 61.666 0.633 18485 269 1 1 . 1 1 48 48 THR CB C 48 70.899 70.899 70.132 0.767 18485 270 1 1 . 1 1 48 48 THR H H 48 8.549 8.549 8.391 0.158 18485 271 1 1 . 1 1 49 49 SER N N 49 121.488 121.488 121.948 -0.460 18485 272 1 1 . 1 1 49 49 SER HA H 49 5.516 5.516 4.839 0.677 18485 273 1 1 . 1 1 49 49 SER C C 49 173.691 173.691 173.418 0.273 18485 274 1 1 . 1 1 49 49 SER CA C 49 55.758 55.758 57.073 -1.315 18485 275 1 1 . 1 1 49 49 SER CB C 49 66.386 66.386 64.205 2.181 18485 276 1 1 . 1 1 49 49 SER H H 49 8.536 8.536 8.548 -0.012 18485 277 1 1 . 1 1 50 50 PHE N N 50 124.791 124.791 126.873 -2.082 18485 278 1 1 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.564 0.151 18485 279 1 1 . 1 1 50 50 PHE C C 50 173.608 173.608 174.579 -0.971 18485 280 1 1 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.870 0.470 18485 281 1 1 . 1 1 50 50 PHE CB C 50 43.529 43.529 40.537 2.992 18485 282 1 1 . 1 1 50 50 PHE H H 50 8.627 8.627 9.064 -0.437 18485 283 1 1 . 1 1 51 51 ASP N N 51 120.606 120.606 124.893 -4.287 18485 284 1 1 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.411 -0.041 18485 285 1 1 . 1 1 51 51 ASP C C 51 178.779 178.779 177.454 1.325 18485 286 1 1 . 1 1 51 51 ASP CA C 51 52.234 52.234 53.134 -0.900 18485 287 1 1 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.421 0.754 18485 288 1 1 . 1 1 51 51 ASP H H 51 8.415 8.415 8.792 -0.377 18485 289 1 1 . 1 1 52 52 VAL N N 52 119.623 119.623 117.045 2.578 18485 290 1 1 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.049 0.057 18485 291 1 1 . 1 1 52 52 VAL C C 52 176.682 176.682 177.598 -0.916 18485 292 1 1 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.698 -1.371 18485 293 1 1 . 1 1 52 52 VAL CB C 52 31.774 31.774 32.139 -0.365 18485 294 1 1 . 1 1 52 52 VAL H H 52 9.307 9.307 8.152 1.155 18485 295 1 1 . 1 1 53 53 LEU N N 53 118.392 118.392 119.312 -0.920 18485 296 1 1 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.215 0.043 18485 297 1 1 . 1 1 53 53 LEU C C 53 179.153 179.153 177.427 1.726 18485 298 1 1 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.196 -0.433 18485 299 1 1 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.717 -0.682 18485 300 1 1 . 1 1 53 53 LEU H H 53 9.008 9.008 8.348 0.660 18485 301 1 1 . 1 1 54 54 ALA N N 54 119.577 119.577 117.946 1.631 18485 302 1 1 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.324 -0.084 18485 303 1 1 . 1 1 54 54 ALA C C 54 177.657 177.657 176.898 0.759 18485 304 1 1 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.251 1.137 18485 305 1 1 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.094 0.025 18485 306 1 1 . 1 1 54 54 ALA H H 54 7.304 7.304 7.677 -0.373 18485 307 1 1 . 1 1 55 55 HIS N N 55 114.383 114.383 116.935 -2.552 18485 308 1 1 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.804 0.320 18485 309 1 1 . 1 1 55 55 HIS C C 55 174.238 174.238 172.995 1.243 18485 310 1 1 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.729 -0.635 18485 311 1 1 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.435 1.354 18485 312 1 1 . 1 1 55 55 HIS H H 55 6.894 6.894 7.664 -0.770 18485 313 1 1 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.366 -0.040 18485 314 1 1 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.345 -0.083 18485 315 1 1 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.636 -0.595 18485 316 1 1 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.706 0.281 18485 317 1 1 . 1 1 57 57 VAL C C 57 177.804 177.804 178.225 -0.421 18485 318 1 1 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.310 -0.983 18485 319 1 1 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.690 -0.469 18485 320 1 1 . 1 1 57 57 VAL H H 57 9.778 9.778 7.925 1.853 18485 321 1 1 . 1 1 58 58 VAL N N 58 120.641 120.641 119.224 1.417 18485 322 1 1 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.647 -0.115 18485 323 1 1 . 1 1 58 58 VAL C C 58 177.270 177.270 177.559 -0.289 18485 324 1 1 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.474 -0.564 18485 325 1 1 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.662 -0.240 18485 326 1 1 . 1 1 58 58 VAL H H 58 7.540 7.540 7.662 -0.122 18485 327 1 1 . 1 1 59 59 ARG N N 59 118.263 118.263 119.027 -0.764 18485 328 1 1 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.059 -0.145 18485 329 1 1 . 1 1 59 59 ARG C C 59 178.579 178.579 178.541 0.038 18485 330 1 1 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.387 0.592 18485 331 1 1 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.541 0.411 18485 332 1 1 . 1 1 59 59 ARG H H 59 7.536 7.536 7.776 -0.240 18485 333 1 1 . 1 1 60 60 SER N N 60 113.091 113.091 116.164 -3.073 18485 334 1 1 . 1 1 60 60 SER HA H 60 4.161 4.161 4.179 -0.018 18485 335 1 1 . 1 1 60 60 SER C C 60 175.761 175.761 176.249 -0.488 18485 336 1 1 . 1 1 60 60 SER CA C 60 61.435 61.435 61.383 0.052 18485 337 1 1 . 1 1 60 60 SER CB C 60 62.721 62.721 63.231 -0.510 18485 338 1 1 . 1 1 60 60 SER H H 60 8.204 8.204 8.506 -0.302 18485 339 1 1 . 1 1 61 61 TYR N N 61 123.436 123.436 123.279 0.157 18485 340 1 1 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.085 -0.203 18485 341 1 1 . 1 1 61 61 TYR C C 61 177.731 177.731 177.374 0.357 18485 342 1 1 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.819 0.209 18485 343 1 1 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.332 0.823 18485 344 1 1 . 1 1 61 61 TYR H H 61 8.024 8.024 8.064 -0.040 18485 345 1 1 . 1 1 62 62 VAL N N 62 115.253 115.253 117.740 -2.487 18485 346 1 1 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.363 0.166 18485 347 1 1 . 1 1 62 62 VAL C C 62 176.990 176.990 177.398 -0.408 18485 348 1 1 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.591 -1.367 18485 349 1 1 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.227 0.209 18485 350 1 1 . 1 1 62 62 VAL H H 62 7.754 7.754 7.928 -0.174 18485 351 1 1 . 1 1 63 63 LYS N N 63 117.543 117.543 118.451 -0.908 18485 352 1 1 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.938 0.091 18485 353 1 1 . 1 1 63 63 LYS C C 63 177.549 177.549 179.004 -1.455 18485 354 1 1 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.915 -0.588 18485 355 1 1 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.348 0.413 18485 356 1 1 . 1 1 63 63 LYS H H 63 7.367 7.367 7.496 -0.129 18485 357 1 1 . 1 1 64 64 GLU N N 64 116.093 116.093 115.969 0.124 18485 358 1 1 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.205 -0.091 18485 359 1 1 . 1 1 64 64 GLU C C 64 177.547 177.547 178.302 -0.755 18485 360 1 1 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.185 -0.680 18485 361 1 1 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.519 -0.142 18485 362 1 1 . 1 1 64 64 GLU H H 64 7.701 7.701 7.956 -0.255 18485 363 1 1 . 1 1 65 65 VAL N N 65 116.739 116.739 116.075 0.664 18485 364 1 1 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.086 -0.251 18485 365 1 1 . 1 1 65 65 VAL C C 65 176.335 176.335 176.650 -0.315 18485 366 1 1 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.128 0.368 18485 367 1 1 . 1 1 65 65 VAL CB C 65 32.243 32.243 33.113 -0.870 18485 368 1 1 . 1 1 65 65 VAL H H 65 7.608 7.608 7.809 -0.201 18485 369 1 1 . 1 1 66 66 SER N N 66 114.353 114.353 116.766 -2.413 18485 370 1 1 . 1 1 66 66 SER HA H 66 4.230 4.230 4.558 -0.328 18485 371 1 1 . 1 1 66 66 SER C C 66 174.345 174.345 173.986 0.359 18485 372 1 1 . 1 1 66 66 SER CA C 66 58.038 58.038 58.192 -0.154 18485 373 1 1 . 1 1 66 66 SER CB C 66 63.898 63.898 62.184 1.714 18485 374 1 1 . 1 1 66 66 SER H H 66 7.526 7.526 7.607 -0.081 18485 375 1 1 . 1 1 67 67 GLU N N 67 121.681 121.681 120.774 0.907 18485 376 1 1 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.068 -0.203 18485 377 1 1 . 1 1 67 67 GLU C C 67 175.748 175.748 176.615 -0.867 18485 378 1 1 . 1 1 67 67 GLU CA C 67 57.845 57.845 56.823 1.022 18485 379 1 1 . 1 1 67 67 GLU CB C 67 29.380 29.380 29.641 -0.261 18485 380 1 1 . 1 1 67 67 GLU H H 67 7.966 7.966 7.682 0.284 18485 381 1 1 . 1 1 68 68 TRP N N 68 119.264 119.264 121.523 -2.259 18485 382 1 1 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.458 0.477 18485 383 1 1 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.986 -1.130 18485 384 1 1 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.237 1.480 18485 385 1 1 . 1 1 68 68 TRP H H 68 7.633 7.633 7.558 0.075 18485 386 1 1 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.276 0.166 18485 387 1 1 . 1 1 69 69 PRO C C 69 176.375 176.375 176.430 -0.055 18485 388 1 1 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.821 -0.253 18485 389 1 1 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.550 -0.037 18485 390 1 1 . 1 1 70 70 THR N N 70 114.312 114.312 115.812 -1.500 18485 391 1 1 . 1 1 70 70 THR HA H 70 4.344 4.344 4.319 0.025 18485 392 1 1 . 1 1 70 70 THR C C 70 172.275 172.275 174.078 -1.803 18485 393 1 1 . 1 1 70 70 THR CA C 70 61.465 61.465 63.325 -1.860 18485 394 1 1 . 1 1 70 70 THR CB C 70 70.433 70.433 69.948 0.485 18485 395 1 1 . 1 1 70 70 THR H H 70 7.162 7.162 7.614 -0.452 18485 396 1 1 . 1 1 71 71 ILE N N 71 123.770 123.770 123.389 0.381 18485 397 1 1 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.546 -0.044 18485 398 1 1 . 1 1 71 71 ILE C C 71 175.106 175.106 174.851 0.255 18485 399 1 1 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.125 -1.370 18485 400 1 1 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.573 1.504 18485 401 1 1 . 1 1 71 71 ILE H H 71 8.398 8.398 8.279 0.119 18485 402 1 1 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.935 0.623 18485 403 1 1 . 1 1 72 72 PRO C C 72 175.507 175.507 175.760 -0.253 18485 404 1 1 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.362 0.076 18485 405 1 1 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.161 4.495 18485 406 1 1 . 1 1 73 73 GLN N N 73 112.013 112.013 116.407 -4.394 18485 407 1 1 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.281 -0.189 18485 408 1 1 . 1 1 73 73 GLN C C 73 174.559 174.559 174.890 -0.331 18485 409 1 1 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.937 0.592 18485 410 1 1 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.451 0.989 18485 411 1 1 . 1 1 73 73 GLN H H 73 8.521 8.521 8.387 0.134 18485 412 1 1 . 1 1 74 74 LEU N N 74 124.684 124.684 122.420 2.264 18485 413 1 1 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.070 0.262 18485 414 1 1 . 1 1 74 74 LEU C C 74 172.761 172.761 174.694 -1.933 18485 415 1 1 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.737 0.818 18485 416 1 1 . 1 1 74 74 LEU CB C 74 47.043 47.043 45.438 1.605 18485 417 1 1 . 1 1 74 74 LEU H H 74 8.266 8.266 8.900 -0.634 18485 418 1 1 . 1 1 75 75 PHE N N 75 126.827 126.827 124.003 2.824 18485 419 1 1 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.564 -0.321 18485 420 1 1 . 1 1 75 75 PHE C C 75 174.813 174.813 174.874 -0.061 18485 421 1 1 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.561 0.507 18485 422 1 1 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.353 -0.704 18485 423 1 1 . 1 1 75 75 PHE H H 75 9.692 9.692 9.175 0.517 18485 424 1 1 . 1 1 76 76 ILE N N 76 118.421 118.421 122.634 -4.213 18485 425 1 1 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.022 0.081 18485 426 1 1 . 1 1 76 76 ILE C C 76 176.242 176.242 176.415 -0.173 18485 427 1 1 . 1 1 76 76 ILE CA C 76 59.193 59.193 58.873 0.320 18485 428 1 1 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.126 0.399 18485 429 1 1 . 1 1 76 76 ILE H H 76 8.612 8.612 9.172 -0.560 18485 430 1 1 . 1 1 77 77 LYS N N 77 129.856 129.856 125.866 3.990 18485 431 1 1 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.919 0.273 18485 432 1 1 . 1 1 77 77 LYS C C 77 175.887 175.887 176.136 -0.249 18485 433 1 1 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.153 -0.552 18485 434 1 1 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.282 1.317 18485 435 1 1 . 1 1 77 77 LYS H H 77 10.357 10.357 9.214 1.143 18485 436 1 1 . 1 1 78 78 ALA N N 78 114.323 114.323 116.384 -2.061 18485 437 1 1 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.230 -0.392 18485 438 1 1 . 1 1 78 78 ALA C C 78 175.949 175.949 176.452 -0.503 18485 439 1 1 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.558 -0.040 18485 440 1 1 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.052 0.183 18485 441 1 1 . 1 1 78 78 ALA H H 78 9.554 9.554 8.534 1.020 18485 442 1 1 . 1 1 79 79 GLU N N 79 120.498 120.498 118.424 2.074 18485 443 1 1 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.814 -0.050 18485 444 1 1 . 1 1 79 79 GLU C C 79 175.200 175.200 174.739 0.461 18485 445 1 1 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.331 0.440 18485 446 1 1 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.070 -1.068 18485 447 1 1 . 1 1 79 79 GLU H H 79 8.219 8.219 7.945 0.274 18485 448 1 1 . 1 1 80 80 PHE N N 80 125.962 125.962 125.169 0.793 18485 449 1 1 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.698 -0.306 18485 450 1 1 . 1 1 80 80 PHE C C 80 175.280 175.280 174.665 0.615 18485 451 1 1 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.323 -0.064 18485 452 1 1 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.993 -0.445 18485 453 1 1 . 1 1 80 80 PHE H H 80 8.935 8.935 8.753 0.182 18485 454 1 1 . 1 1 81 81 VAL N N 81 128.637 128.637 126.599 2.038 18485 455 1 1 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.749 0.020 18485 456 1 1 . 1 1 81 81 VAL C C 81 174.733 174.733 175.150 -0.417 18485 457 1 1 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.102 0.937 18485 458 1 1 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.028 -0.390 18485 459 1 1 . 1 1 81 81 VAL H H 81 8.288 8.288 7.975 0.313 18485 460 1 1 . 1 1 82 82 GLY N N 82 100.310 100.310 104.429 -4.119 18485 461 1 1 . 1 1 82 82 GLY C C 82 172.515 172.515 172.231 0.284 18485 462 1 1 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.558 0.662 18485 463 1 1 . 1 1 82 82 GLY H H 82 5.816 5.816 6.400 -0.584 18485 464 1 1 . 1 1 83 83 GLY N N 83 104.342 104.342 106.561 -2.219 18485 465 1 1 . 1 1 83 83 GLY C C 83 173.758 173.758 175.115 -1.357 18485 466 1 1 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.777 0.046 18485 467 1 1 . 1 1 83 83 GLY H H 83 7.401 7.401 8.243 -0.842 18485 468 1 1 . 1 1 84 84 LEU N N 84 118.350 118.350 121.856 -3.506 18485 469 1 1 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.142 -0.361 18485 470 1 1 . 1 1 84 84 LEU C C 84 178.245 178.245 178.314 -0.069 18485 471 1 1 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.483 0.771 18485 472 1 1 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.739 0.863 18485 473 1 1 . 1 1 84 84 LEU H H 84 8.807 8.807 8.364 0.443 18485 474 1 1 . 1 1 85 85 ASP N N 85 118.373 118.373 117.598 0.775 18485 475 1 1 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.411 -0.145 18485 476 1 1 . 1 1 85 85 ASP C C 85 178.296 178.296 178.004 0.292 18485 477 1 1 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.169 0.443 18485 478 1 1 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.461 -0.962 18485 479 1 1 . 1 1 85 85 ASP H H 85 8.697 8.697 8.697 -0.000 18485 480 1 1 . 1 1 86 86 ILE N N 86 120.495 120.495 117.553 2.942 18485 481 1 1 . 1 1 86 86 ILE HA H 86 3.846 3.846 4.127 -0.281 18485 482 1 1 . 1 1 86 86 ILE C C 86 177.657 177.657 177.718 -0.061 18485 483 1 1 . 1 1 86 86 ILE CA C 86 62.858 62.858 60.809 2.049 18485 484 1 1 . 1 1 86 86 ILE CB C 86 37.513 37.513 38.078 -0.565 18485 485 1 1 . 1 1 86 86 ILE H H 86 7.605 7.605 7.386 0.219 18485 486 1 1 . 1 1 87 87 VAL N N 87 120.596 120.596 117.805 2.791 18485 487 1 1 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.621 -0.314 18485 488 1 1 . 1 1 87 87 VAL C C 87 177.629 177.629 177.454 0.175 18485 489 1 1 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.697 1.014 18485 490 1 1 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.751 0.914 18485 491 1 1 . 1 1 87 87 VAL H H 87 7.934 7.934 7.576 0.358 18485 492 1 1 . 1 1 88 88 THR N N 88 112.971 112.971 111.604 1.367 18485 493 1 1 . 1 1 88 88 THR HA H 88 3.822 3.822 3.953 -0.131 18485 494 1 1 . 1 1 88 88 THR C C 88 176.896 176.896 176.377 0.519 18485 495 1 1 . 1 1 88 88 THR CA C 88 66.898 66.898 66.134 0.764 18485 496 1 1 . 1 1 88 88 THR CB C 88 68.370 68.370 68.524 -0.154 18485 497 1 1 . 1 1 88 88 THR H H 88 8.719 8.719 7.759 0.960 18485 498 1 1 . 1 1 89 89 LYS N N 89 123.633 123.633 121.816 1.817 18485 499 1 1 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.202 -0.053 18485 500 1 1 . 1 1 89 89 LYS C C 89 179.648 179.648 179.146 0.502 18485 501 1 1 . 1 1 89 89 LYS CA C 89 59.626 59.626 58.523 1.103 18485 502 1 1 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.816 0.272 18485 503 1 1 . 1 1 89 89 LYS H H 89 7.568 7.568 7.631 -0.063 18485 504 1 1 . 1 1 90 90 MET N N 90 118.147 118.147 118.599 -0.452 18485 505 1 1 . 1 1 90 90 MET HA H 90 4.333 4.333 4.146 0.187 18485 506 1 1 . 1 1 90 90 MET C C 90 179.634 179.634 179.010 0.624 18485 507 1 1 . 1 1 90 90 MET CA C 90 58.590 58.590 59.137 -0.547 18485 508 1 1 . 1 1 90 90 MET CB C 90 34.033 34.033 32.344 1.689 18485 509 1 1 . 1 1 90 90 MET H H 90 8.520 8.520 7.629 0.891 18485 510 1 1 . 1 1 91 91 LEU N N 91 124.789 124.789 121.194 3.595 18485 511 1 1 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.927 0.273 18485 512 1 1 . 1 1 91 91 LEU C C 91 179.696 179.696 179.184 0.512 18485 513 1 1 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.844 0.237 18485 514 1 1 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.787 0.074 18485 515 1 1 . 1 1 91 91 LEU H H 91 8.792 8.792 7.949 0.843 18485 516 1 1 . 1 1 92 92 GLU N N 92 118.965 118.965 119.574 -0.609 18485 517 1 1 . 1 1 92 92 GLU HA H 92 4.017 4.017 3.959 0.058 18485 518 1 1 . 1 1 92 92 GLU C C 92 178.352 178.352 178.520 -0.168 18485 519 1 1 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.129 -0.051 18485 520 1 1 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.603 0.088 18485 521 1 1 . 1 1 92 92 GLU H H 92 7.999 7.999 8.460 -0.461 18485 522 1 1 . 1 1 93 93 SER N N 93 111.381 111.381 111.943 -0.562 18485 523 1 1 . 1 1 93 93 SER HA H 93 4.406 4.406 4.294 0.112 18485 524 1 1 . 1 1 93 93 SER C C 93 175.948 175.948 175.304 0.644 18485 525 1 1 . 1 1 93 93 SER CA C 93 59.192 59.192 59.077 0.115 18485 526 1 1 . 1 1 93 93 SER CB C 93 64.227 64.227 63.727 0.500 18485 527 1 1 . 1 1 93 93 SER H H 93 8.270 8.270 8.027 0.243 18485 528 1 1 . 1 1 94 94 GLY N N 94 109.172 109.172 108.838 0.334 18485 529 1 1 . 1 1 94 94 GLY C C 94 174.906 174.906 175.532 -0.626 18485 530 1 1 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.967 -0.584 18485 531 1 1 . 1 1 94 94 GLY H H 94 7.406 7.406 7.567 -0.161 18485 532 1 1 . 1 1 95 95 ASP N N 95 122.640 122.640 122.301 0.339 18485 533 1 1 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.466 0.013 18485 534 1 1 . 1 1 95 95 ASP C C 95 178.486 178.486 177.953 0.533 18485 535 1 1 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.002 0.249 18485 536 1 1 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.666 0.704 18485 537 1 1 . 1 1 95 95 ASP H H 95 8.337 8.337 7.880 0.457 18485 538 1 1 . 1 1 96 96 LEU N N 96 122.329 122.329 120.416 1.913 18485 539 1 1 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.066 0.015 18485 540 1 1 . 1 1 96 96 LEU C C 96 177.070 177.070 178.300 -1.230 18485 541 1 1 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.842 0.118 18485 542 1 1 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.929 -1.027 18485 543 1 1 . 1 1 96 96 LEU H H 96 7.992 7.992 7.701 0.291 18485 544 1 1 . 1 1 97 97 LYS N N 97 118.159 118.159 118.263 -0.104 18485 545 1 1 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.920 0.001 18485 546 1 1 . 1 1 97 97 LYS C C 97 178.245 178.245 178.889 -0.644 18485 547 1 1 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.804 0.296 18485 548 1 1 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.840 0.088 18485 549 1 1 . 1 1 97 97 LYS H H 97 8.254 8.254 8.338 -0.084 18485 550 1 1 . 1 1 98 98 LYS N N 98 117.677 117.677 119.850 -2.173 18485 551 1 1 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.969 -0.032 18485 552 1 1 . 1 1 98 98 LYS C C 98 177.471 177.471 178.623 -1.152 18485 553 1 1 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.647 0.283 18485 554 1 1 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.336 0.404 18485 555 1 1 . 1 1 98 98 LYS H H 98 7.388 7.388 8.121 -0.733 18485 556 1 1 . 1 1 99 99 MET N N 99 119.426 119.426 119.373 0.053 18485 557 1 1 . 1 1 99 99 MET HA H 99 4.138 4.138 4.144 -0.006 18485 558 1 1 . 1 1 99 99 MET C C 99 178.018 178.018 178.469 -0.451 18485 559 1 1 . 1 1 99 99 MET CA C 99 59.151 59.151 58.872 0.279 18485 560 1 1 . 1 1 99 99 MET CB C 99 32.550 32.550 32.689 -0.139 18485 561 1 1 . 1 1 99 99 MET H H 99 7.934 7.934 7.854 0.080 18485 562 1 1 . 1 1 100 100 LEU N N 100 118.006 118.006 119.190 -1.184 18485 563 1 1 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.835 -0.044 18485 564 1 1 . 1 1 100 100 LEU C C 100 178.592 178.592 178.915 -0.323 18485 565 1 1 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.265 0.337 18485 566 1 1 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.354 -0.654 18485 567 1 1 . 1 1 100 100 LEU H H 100 8.131 8.131 8.268 -0.137 18485 568 1 1 . 1 1 101 101 ARG N N 101 118.551 118.551 118.618 -0.067 18485 569 1 1 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.999 0.127 18485 570 1 1 . 1 1 101 101 ARG C C 101 181.117 181.117 178.367 2.750 18485 571 1 1 . 1 1 101 101 ARG CA C 101 59.277 59.277 59.045 0.232 18485 572 1 1 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.698 0.094 18485 573 1 1 . 1 1 101 101 ARG H H 101 8.045 8.045 8.294 -0.249 18485 574 1 1 . 1 1 102 102 ASP N N 102 122.544 122.544 120.012 2.532 18485 575 1 1 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.534 -0.129 18485 576 1 1 . 1 1 102 102 ASP C C 102 178.405 178.405 178.223 0.182 18485 577 1 1 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.573 0.729 18485 578 1 1 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.993 -0.680 18485 579 1 1 . 1 1 102 102 ASP H H 102 8.828 8.828 8.040 0.788 18485 580 1 1 . 1 1 103 103 LYS N N 103 116.177 116.177 117.124 -0.947 18485 581 1 1 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.439 -0.043 18485 582 1 1 . 1 1 103 103 LYS C C 103 176.282 176.282 176.799 -0.517 18485 583 1 1 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.164 0.160 18485 584 1 1 . 1 1 103 103 LYS CB C 103 32.715 32.715 33.038 -0.323 18485 585 1 1 . 1 1 103 103 LYS H H 103 7.847 7.847 8.073 -0.226 18485 586 1 1 . 1 1 104 104 GLY N N 104 108.597 108.597 107.417 1.180 18485 587 1 1 . 1 1 104 104 GLY C C 104 174.450 174.450 174.680 -0.230 18485 588 1 1 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.277 1.046 18485 589 1 1 . 1 1 104 104 GLY H H 104 7.930 7.930 7.654 0.276 18485 590 1 1 . 1 1 105 105 ILE N N 105 123.232 123.232 119.832 3.400 18485 591 1 1 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.275 -0.166 18485 592 1 1 . 1 1 105 105 ILE C C 105 175.374 175.374 176.241 -0.867 18485 593 1 1 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.162 0.481 18485 594 1 1 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.971 -0.283 18485 595 1 1 . 1 1 105 105 ILE H H 105 8.323 8.323 8.068 0.255 18485 596 1 1 . 1 1 106 106 THR N N 106 123.522 123.522 120.952 2.570 18485 597 1 1 . 1 1 106 106 THR HA H 106 4.155 4.155 4.324 -0.169 18485 598 1 1 . 1 1 106 106 THR C C 106 173.223 173.223 173.732 -0.509 18485 599 1 1 . 1 1 106 106 THR CA C 106 63.189 63.189 63.312 -0.123 18485 600 1 1 . 1 1 106 106 THR CB C 106 69.242 69.242 68.863 0.379 18485 601 1 1 . 1 1 106 106 THR H H 106 8.521 8.521 8.467 0.054 18485 602 1 1 . 1 1 107 107 CYS N N 107 120.688 120.688 122.926 -2.238 18485 603 1 1 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.297 -0.430 18485 604 1 1 . 1 1 107 107 CYS C C 107 173.798 173.798 173.247 0.551 18485 605 1 1 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.265 0.287 18485 606 1 1 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.270 -0.808 18485 607 1 1 . 1 1 107 107 CYS H H 107 8.247 8.247 8.229 0.018 18485 608 1 1 . 1 1 108 108 ARG N N 108 122.349 122.349 121.016 1.333 18485 609 1 1 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.289 0.002 18485 610 1 1 . 1 1 108 108 ARG C C 108 175.547 175.547 175.652 -0.105 18485 611 1 1 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.532 -0.232 18485 612 1 1 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.942 0.334 18485 613 1 1 . 1 1 108 108 ARG H H 108 8.512 8.512 8.580 -0.068 18485 614 1 1 . 1 1 109 109 ASP N N 109 121.453 121.453 120.196 1.257 18485 615 1 1 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.459 0.166 18485 616 1 1 . 1 1 109 109 ASP C C 109 174.973 174.973 177.129 -2.156 18485 617 1 1 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.142 -0.903 18485 618 1 1 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.484 0.472 18485 619 1 1 . 1 1 109 109 ASP H H 109 8.399 8.399 8.426 -0.027 18485 620 1 2 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.551 -0.139 18485 621 1 2 . 1 1 2 2 ALA C C 2 177.283 177.283 175.585 1.698 18485 622 1 2 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.170 0.114 18485 623 1 2 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.668 -1.164 18485 624 1 2 . 1 1 3 3 MET N N 3 121.052 121.052 123.868 -2.816 18485 625 1 2 . 1 1 3 3 MET HA H 3 4.458 4.458 4.991 -0.533 18485 626 1 2 . 1 1 3 3 MET C C 3 175.185 175.185 175.605 -0.420 18485 627 1 2 . 1 1 3 3 MET CA C 3 56.001 56.001 55.144 0.857 18485 628 1 2 . 1 1 3 3 MET CB C 3 34.282 34.282 34.035 0.247 18485 629 1 2 . 1 1 3 3 MET H H 3 8.313 8.313 8.676 -0.363 18485 630 1 2 . 1 1 4 4 VAL N N 4 116.976 116.976 120.136 -3.160 18485 631 1 2 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.757 -0.115 18485 632 1 2 . 1 1 4 4 VAL C C 4 176.976 176.976 176.636 0.340 18485 633 1 2 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.891 -0.139 18485 634 1 2 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.343 0.535 18485 635 1 2 . 1 1 4 4 VAL H H 4 8.432 8.432 8.877 -0.445 18485 636 1 2 . 1 1 5 5 LYS N N 5 123.795 123.795 123.102 0.693 18485 637 1 2 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.044 -0.458 18485 638 1 2 . 1 1 5 5 LYS C C 5 178.205 178.205 178.358 -0.153 18485 639 1 2 . 1 1 5 5 LYS CA C 5 61.062 61.062 60.105 0.957 18485 640 1 2 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.279 -0.056 18485 641 1 2 . 1 1 5 5 LYS H H 5 8.725 8.725 8.815 -0.090 18485 642 1 2 . 1 1 6 6 LYS N N 6 117.559 117.559 118.193 -0.634 18485 643 1 2 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.080 -0.006 18485 644 1 2 . 1 1 6 6 LYS C C 6 176.976 176.976 178.223 -1.247 18485 645 1 2 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.316 -0.297 18485 646 1 2 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.016 0.642 18485 647 1 2 . 1 1 6 6 LYS H H 6 8.395 8.395 8.345 0.050 18485 648 1 2 . 1 1 7 7 ASP N N 7 116.710 116.710 119.134 -2.424 18485 649 1 2 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.487 -0.123 18485 650 1 2 . 1 1 7 7 ASP C C 7 179.180 179.180 178.540 0.640 18485 651 1 2 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.498 -0.088 18485 652 1 2 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.657 0.218 18485 653 1 2 . 1 1 7 7 ASP H H 7 7.415 7.415 7.960 -0.545 18485 654 1 2 . 1 1 8 8 ILE N N 8 120.990 120.990 119.958 1.032 18485 655 1 2 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.419 -0.142 18485 656 1 2 . 1 1 8 8 ILE C C 8 177.537 177.537 177.175 0.362 18485 657 1 2 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.821 -0.261 18485 658 1 2 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.141 -0.072 18485 659 1 2 . 1 1 8 8 ILE H H 8 7.302 7.302 7.432 -0.130 18485 660 1 2 . 1 1 9 9 ASP N N 9 120.214 120.214 121.700 -1.486 18485 661 1 2 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.464 -0.257 18485 662 1 2 . 1 1 9 9 ASP C C 9 178.564 178.564 178.533 0.031 18485 663 1 2 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.779 0.229 18485 664 1 2 . 1 1 9 9 ASP CB C 9 41.882 41.882 40.926 0.956 18485 665 1 2 . 1 1 9 9 ASP H H 9 7.884 7.884 7.876 0.008 18485 666 1 2 . 1 1 10 10 ASP N N 10 117.314 117.314 118.993 -1.679 18485 667 1 2 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.584 -0.260 18485 668 1 2 . 1 1 10 10 ASP C C 10 179.340 179.340 178.728 0.612 18485 669 1 2 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.803 0.383 18485 670 1 2 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.682 -0.769 18485 671 1 2 . 1 1 10 10 ASP H H 10 8.856 8.856 8.429 0.427 18485 672 1 2 . 1 1 11 11 THR N N 11 119.032 119.032 117.621 1.411 18485 673 1 2 . 1 1 11 11 THR HA H 11 4.061 4.061 4.039 0.022 18485 674 1 2 . 1 1 11 11 THR C C 11 175.574 175.574 176.238 -0.664 18485 675 1 2 . 1 1 11 11 THR CA C 11 67.210 67.210 66.907 0.303 18485 676 1 2 . 1 1 11 11 THR CB C 11 68.319 68.319 69.026 -0.707 18485 677 1 2 . 1 1 11 11 THR H H 11 7.670 7.670 7.815 -0.145 18485 678 1 2 . 1 1 12 12 ILE N N 12 122.228 122.228 121.435 0.793 18485 679 1 2 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.750 -0.111 18485 680 1 2 . 1 1 12 12 ILE C C 12 177.455 177.455 177.196 0.259 18485 681 1 2 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.030 -0.121 18485 682 1 2 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.686 -0.108 18485 683 1 2 . 1 1 12 12 ILE H H 12 8.303 8.303 8.295 0.008 18485 684 1 2 . 1 1 13 13 LYS N N 13 114.462 114.462 117.015 -2.553 18485 685 1 2 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.207 -0.073 18485 686 1 2 . 1 1 13 13 LYS C C 13 177.547 177.547 177.522 0.025 18485 687 1 2 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.924 0.476 18485 688 1 2 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.673 0.333 18485 689 1 2 . 1 1 13 13 LYS H H 13 7.709 7.709 7.604 0.105 18485 690 1 2 . 1 1 14 14 SER N N 14 112.642 112.642 113.653 -1.011 18485 691 1 2 . 1 1 14 14 SER HA H 14 4.551 4.551 4.429 0.122 18485 692 1 2 . 1 1 14 14 SER C C 14 174.532 174.532 174.792 -0.260 18485 693 1 2 . 1 1 14 14 SER CA C 14 59.744 59.744 59.364 0.380 18485 694 1 2 . 1 1 14 14 SER CB C 14 65.009 65.009 64.132 0.877 18485 695 1 2 . 1 1 14 14 SER H H 14 7.749 7.749 7.590 0.159 18485 696 1 2 . 1 1 15 15 GLU N N 15 121.266 121.266 121.376 -0.110 18485 697 1 2 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.467 0.097 18485 698 1 2 . 1 1 15 15 GLU C C 15 176.789 176.789 176.060 0.729 18485 699 1 2 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.708 -1.263 18485 700 1 2 . 1 1 15 15 GLU CB C 15 30.326 30.326 31.113 -0.787 18485 701 1 2 . 1 1 15 15 GLU H H 15 8.101 8.101 7.924 0.177 18485 702 1 2 . 1 1 16 16 ASP N N 16 122.253 122.253 120.385 1.868 18485 703 1 2 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.781 -0.441 18485 704 1 2 . 1 1 16 16 ASP C C 16 176.469 176.469 175.792 0.677 18485 705 1 2 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.177 2.582 18485 706 1 2 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.100 -1.282 18485 707 1 2 . 1 1 16 16 ASP H H 16 8.685 8.685 8.892 -0.207 18485 708 1 2 . 1 1 17 17 VAL N N 17 118.536 118.536 118.580 -0.044 18485 709 1 2 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.890 0.025 18485 710 1 2 . 1 1 17 17 VAL C C 17 174.452 174.452 174.179 0.273 18485 711 1 2 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.477 0.426 18485 712 1 2 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.756 -0.379 18485 713 1 2 . 1 1 17 17 VAL H H 17 8.547 8.547 7.804 0.743 18485 714 1 2 . 1 1 18 18 VAL N N 18 125.917 125.917 127.311 -1.394 18485 715 1 2 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.197 0.058 18485 716 1 2 . 1 1 18 18 VAL C C 18 174.158 174.158 174.441 -0.283 18485 717 1 2 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.339 -0.237 18485 718 1 2 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.047 0.007 18485 719 1 2 . 1 1 18 18 VAL H H 18 8.755 8.755 9.096 -0.341 18485 720 1 2 . 1 1 19 19 THR N N 19 120.107 120.107 118.669 1.438 18485 721 1 2 . 1 1 19 19 THR HA H 19 5.795 5.795 5.418 0.377 18485 722 1 2 . 1 1 19 19 THR C C 19 171.126 171.126 172.788 -1.662 18485 723 1 2 . 1 1 19 19 THR CA C 19 58.118 58.118 60.027 -1.909 18485 724 1 2 . 1 1 19 19 THR CB C 19 72.547 72.547 72.057 0.490 18485 725 1 2 . 1 1 19 19 THR H H 19 8.938 8.938 8.720 0.218 18485 726 1 2 . 1 1 20 20 PHE N N 20 125.287 125.287 124.249 1.038 18485 727 1 2 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.477 0.027 18485 728 1 2 . 1 1 20 20 PHE C C 20 175.200 175.200 174.913 0.287 18485 729 1 2 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.820 -0.322 18485 730 1 2 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.964 -0.303 18485 731 1 2 . 1 1 20 20 PHE H H 20 8.230 8.230 8.587 -0.357 18485 732 1 2 . 1 1 21 21 ILE N N 21 114.660 114.660 118.393 -3.733 18485 733 1 2 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.817 -0.005 18485 734 1 2 . 1 1 21 21 ILE C C 21 173.918 173.918 174.926 -1.008 18485 735 1 2 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.112 0.251 18485 736 1 2 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.255 1.565 18485 737 1 2 . 1 1 21 21 ILE H H 21 9.042 9.042 9.004 0.038 18485 738 1 2 . 1 1 22 22 LYS N N 22 117.197 117.197 124.981 -7.784 18485 739 1 2 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.251 0.352 18485 740 1 2 . 1 1 22 22 LYS C C 22 175.935 175.935 176.405 -0.470 18485 741 1 2 . 1 1 22 22 LYS CA C 22 56.698 56.698 57.219 -0.521 18485 742 1 2 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.022 2.171 18485 743 1 2 . 1 1 22 22 LYS H H 22 8.581 8.581 8.949 -0.368 18485 744 1 2 . 1 1 23 23 GLY N N 23 117.108 117.108 108.950 8.158 18485 745 1 2 . 1 1 23 23 GLY C C 23 170.793 170.793 172.304 -1.511 18485 746 1 2 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.736 -0.099 18485 747 1 2 . 1 1 23 23 GLY H H 23 9.178 9.178 7.945 1.233 18485 748 1 2 . 1 1 24 24 LEU N N 24 117.859 117.859 120.521 -2.662 18485 749 1 2 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.724 0.136 18485 750 1 2 . 1 1 24 24 LEU C C 24 176.709 176.709 175.864 0.845 18485 751 1 2 . 1 1 24 24 LEU CA C 24 51.950 51.950 52.625 -0.675 18485 752 1 2 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.572 1.436 18485 753 1 2 . 1 1 24 24 LEU H H 24 7.162 7.162 8.487 -1.325 18485 754 1 2 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.535 -0.582 18485 755 1 2 . 1 1 25 25 PRO C C 25 177.190 177.190 177.110 0.080 18485 756 1 2 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.493 1.829 18485 757 1 2 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.300 -0.576 18485 758 1 2 . 1 1 26 26 GLU N N 26 111.260 111.260 117.559 -6.299 18485 759 1 2 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.213 -0.008 18485 760 1 2 . 1 1 26 26 GLU C C 26 176.429 176.429 176.749 -0.320 18485 761 1 2 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.469 -0.726 18485 762 1 2 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.562 -0.864 18485 763 1 2 . 1 1 26 26 GLU H H 26 8.807 8.807 8.264 0.543 18485 764 1 2 . 1 1 27 27 ALA N N 27 122.547 122.547 123.289 -0.742 18485 765 1 2 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.609 -0.022 18485 766 1 2 . 1 1 27 27 ALA C C 27 172.342 172.342 175.182 -2.840 18485 767 1 2 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.290 0.594 18485 768 1 2 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.590 0.105 18485 769 1 2 . 1 1 27 27 ALA H H 27 7.856 7.856 7.865 -0.009 18485 770 1 2 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.445 0.197 18485 771 1 2 . 1 1 28 28 PRO C C 28 178.512 178.512 176.628 1.884 18485 772 1 2 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.886 0.220 18485 773 1 2 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.384 -0.319 18485 774 1 2 . 1 1 29 29 MET N N 29 119.426 119.426 118.954 0.472 18485 775 1 2 . 1 1 29 29 MET HA H 29 4.758 4.758 4.587 0.171 18485 776 1 2 . 1 1 29 29 MET C C 29 175.374 175.374 176.127 -0.753 18485 777 1 2 . 1 1 29 29 MET CA C 29 54.594 54.594 56.369 -1.775 18485 778 1 2 . 1 1 29 29 MET CB C 29 33.036 33.036 33.172 -0.136 18485 779 1 2 . 1 1 29 29 MET H H 29 8.828 8.828 8.508 0.320 18485 780 1 2 . 1 1 30 30 CYS N N 30 116.089 116.089 117.841 -1.752 18485 781 1 2 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.650 0.202 18485 782 1 2 . 1 1 30 30 CYS C C 30 176.028 176.028 174.888 1.140 18485 783 1 2 . 1 1 30 30 CYS CA C 30 58.725 58.725 58.041 0.684 18485 784 1 2 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.270 1.989 18485 785 1 2 . 1 1 30 30 CYS H H 30 7.455 7.455 7.609 -0.154 18485 786 1 2 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.977 0.103 18485 787 1 2 . 1 1 31 31 ALA C C 31 180.222 180.222 178.211 2.011 18485 788 1 2 . 1 1 31 31 ALA CA C 31 54.694 54.694 55.314 -0.620 18485 789 1 2 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.111 0.570 18485 790 1 2 . 1 1 32 32 TYR N N 32 121.972 121.972 117.730 4.242 18485 791 1 2 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.288 0.045 18485 792 1 2 . 1 1 32 32 TYR C C 32 178.673 178.673 178.402 0.271 18485 793 1 2 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.135 -0.206 18485 794 1 2 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.446 -0.409 18485 795 1 2 . 1 1 32 32 TYR H H 32 8.846 8.846 7.892 0.954 18485 796 1 2 . 1 1 33 33 SER N N 33 125.375 125.375 116.847 8.528 18485 797 1 2 . 1 1 33 33 SER HA H 33 4.013 4.013 4.069 -0.056 18485 798 1 2 . 1 1 33 33 SER C C 33 174.906 174.906 176.390 -1.484 18485 799 1 2 . 1 1 33 33 SER CA C 33 64.417 64.417 61.581 2.836 18485 800 1 2 . 1 1 33 33 SER CB C 33 62.687 62.687 62.780 -0.093 18485 801 1 2 . 1 1 33 33 SER H H 33 10.272 10.272 8.052 2.220 18485 802 1 2 . 1 1 34 34 LYS N N 34 121.216 121.216 121.519 -0.303 18485 803 1 2 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.000 -0.147 18485 804 1 2 . 1 1 34 34 LYS C C 34 177.083 177.083 179.153 -2.070 18485 805 1 2 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.033 0.630 18485 806 1 2 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.309 -0.159 18485 807 1 2 . 1 1 34 34 LYS H H 34 8.024 8.024 8.144 -0.120 18485 808 1 2 . 1 1 35 35 ARG N N 35 117.269 117.269 119.007 -1.738 18485 809 1 2 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.154 -0.005 18485 810 1 2 . 1 1 35 35 ARG C C 35 178.058 178.058 178.847 -0.789 18485 811 1 2 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.168 0.808 18485 812 1 2 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.871 -0.159 18485 813 1 2 . 1 1 35 35 ARG H H 35 7.559 7.559 8.278 -0.719 18485 814 1 2 . 1 1 36 36 MET N N 36 117.954 117.954 120.437 -2.483 18485 815 1 2 . 1 1 36 36 MET HA H 36 4.068 4.068 4.160 -0.092 18485 816 1 2 . 1 1 36 36 MET C C 36 176.963 176.963 177.792 -0.829 18485 817 1 2 . 1 1 36 36 MET CA C 36 58.195 58.195 57.974 0.221 18485 818 1 2 . 1 1 36 36 MET CB C 36 31.742 31.742 32.328 -0.586 18485 819 1 2 . 1 1 36 36 MET H H 36 8.027 8.027 8.151 -0.124 18485 820 1 2 . 1 1 37 37 ILE N N 37 118.650 118.650 118.785 -0.135 18485 821 1 2 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.470 0.050 18485 822 1 2 . 1 1 37 37 ILE C C 37 177.631 177.631 178.057 -0.426 18485 823 1 2 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.878 -2.005 18485 824 1 2 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.272 -1.100 18485 825 1 2 . 1 1 37 37 ILE H H 37 7.825 7.825 7.831 -0.006 18485 826 1 2 . 1 1 38 38 ASP N N 38 119.229 119.229 119.669 -0.440 18485 827 1 2 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.349 -0.019 18485 828 1 2 . 1 1 38 38 ASP C C 38 180.208 180.208 178.357 1.851 18485 829 1 2 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.673 -0.143 18485 830 1 2 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.783 -0.813 18485 831 1 2 . 1 1 38 38 ASP H H 38 8.629 8.629 8.116 0.513 18485 832 1 2 . 1 1 39 39 VAL N N 39 121.475 121.475 119.654 1.821 18485 833 1 2 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.716 -0.141 18485 834 1 2 . 1 1 39 39 VAL C C 39 177.056 177.056 178.076 -1.020 18485 835 1 2 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.902 0.908 18485 836 1 2 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.518 -0.023 18485 837 1 2 . 1 1 39 39 VAL H H 39 7.879 7.879 7.430 0.449 18485 838 1 2 . 1 1 40 40 LEU N N 40 118.145 118.145 119.390 -1.245 18485 839 1 2 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.921 -0.147 18485 840 1 2 . 1 1 40 40 LEU C C 40 179.794 179.794 178.835 0.959 18485 841 1 2 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.013 0.151 18485 842 1 2 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.176 -0.579 18485 843 1 2 . 1 1 40 40 LEU H H 40 7.574 7.574 7.553 0.021 18485 844 1 2 . 1 1 41 41 GLU N N 41 116.305 116.305 119.479 -3.174 18485 845 1 2 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.182 0.115 18485 846 1 2 . 1 1 41 41 GLU C C 41 181.117 181.117 179.628 1.489 18485 847 1 2 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.328 -0.776 18485 848 1 2 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.702 -0.581 18485 849 1 2 . 1 1 41 41 GLU H H 41 8.871 8.871 8.643 0.228 18485 850 1 2 . 1 1 42 42 ALA N N 42 124.797 124.797 122.154 2.643 18485 851 1 2 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.177 -0.012 18485 852 1 2 . 1 1 42 42 ALA C C 42 180.275 180.275 178.959 1.316 18485 853 1 2 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.564 0.416 18485 854 1 2 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.613 -0.954 18485 855 1 2 . 1 1 42 42 ALA H H 42 8.285 8.285 8.495 -0.210 18485 856 1 2 . 1 1 43 43 LEU N N 43 115.767 115.767 115.627 0.140 18485 857 1 2 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.364 -0.115 18485 858 1 2 . 1 1 43 43 LEU C C 43 177.177 177.177 176.736 0.441 18485 859 1 2 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.212 1.194 18485 860 1 2 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.054 1.429 18485 861 1 2 . 1 1 43 43 LEU H H 43 7.528 7.528 7.585 -0.057 18485 862 1 2 . 1 1 44 44 GLY N N 44 108.593 108.593 107.615 0.978 18485 863 1 2 . 1 1 44 44 GLY C C 44 175.011 175.011 174.729 0.282 18485 864 1 2 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.719 0.622 18485 865 1 2 . 1 1 44 44 GLY H H 44 7.927 7.927 7.530 0.397 18485 866 1 2 . 1 1 45 45 LEU N N 45 117.269 117.269 117.142 0.127 18485 867 1 2 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.744 -0.292 18485 868 1 2 . 1 1 45 45 LEU C C 45 176.976 176.976 176.982 -0.006 18485 869 1 2 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.660 0.740 18485 870 1 2 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.276 -0.561 18485 871 1 2 . 1 1 45 45 LEU H H 45 7.482 7.482 7.754 -0.272 18485 872 1 2 . 1 1 46 46 GLU N N 46 121.177 121.177 120.341 0.836 18485 873 1 2 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.501 -0.038 18485 874 1 2 . 1 1 46 46 GLU C C 46 176.135 176.135 174.896 1.239 18485 875 1 2 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.527 -0.003 18485 876 1 2 . 1 1 46 46 GLU CB C 46 30.233 30.233 31.172 -0.939 18485 877 1 2 . 1 1 46 46 GLU H H 46 8.250 8.250 8.738 -0.488 18485 878 1 2 . 1 1 47 47 TYR N N 47 119.617 119.617 119.946 -0.329 18485 879 1 2 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.330 -0.032 18485 880 1 2 . 1 1 47 47 TYR C C 47 173.798 173.798 174.809 -1.011 18485 881 1 2 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.387 0.437 18485 882 1 2 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.235 0.836 18485 883 1 2 . 1 1 47 47 TYR H H 47 7.874 7.874 7.832 0.042 18485 884 1 2 . 1 1 48 48 THR N N 48 117.577 117.577 117.654 -0.077 18485 885 1 2 . 1 1 48 48 THR HA H 48 4.266 4.266 4.459 -0.193 18485 886 1 2 . 1 1 48 48 THR C C 48 171.941 171.941 172.950 -1.009 18485 887 1 2 . 1 1 48 48 THR CA C 48 62.299 62.299 61.672 0.627 18485 888 1 2 . 1 1 48 48 THR CB C 48 70.899 70.899 70.913 -0.014 18485 889 1 2 . 1 1 48 48 THR H H 48 8.549 8.549 8.436 0.113 18485 890 1 2 . 1 1 49 49 SER N N 49 121.488 121.488 120.685 0.803 18485 891 1 2 . 1 1 49 49 SER HA H 49 5.516 5.516 4.974 0.542 18485 892 1 2 . 1 1 49 49 SER C C 49 173.691 173.691 173.167 0.524 18485 893 1 2 . 1 1 49 49 SER CA C 49 55.758 55.758 56.676 -0.918 18485 894 1 2 . 1 1 49 49 SER CB C 49 66.386 66.386 64.447 1.939 18485 895 1 2 . 1 1 49 49 SER H H 49 8.536 8.536 8.393 0.143 18485 896 1 2 . 1 1 50 50 PHE N N 50 124.791 124.791 124.731 0.060 18485 897 1 2 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.587 0.128 18485 898 1 2 . 1 1 50 50 PHE C C 50 173.608 173.608 174.361 -0.753 18485 899 1 2 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.783 0.556 18485 900 1 2 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.948 1.581 18485 901 1 2 . 1 1 50 50 PHE H H 50 8.627 8.627 8.897 -0.270 18485 902 1 2 . 1 1 51 51 ASP N N 51 120.606 120.606 122.831 -2.225 18485 903 1 2 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.296 0.074 18485 904 1 2 . 1 1 51 51 ASP C C 51 178.779 178.779 177.290 1.489 18485 905 1 2 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.142 0.092 18485 906 1 2 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.117 1.058 18485 907 1 2 . 1 1 51 51 ASP H H 51 8.415 8.415 8.580 -0.165 18485 908 1 2 . 1 1 52 52 VAL N N 52 119.623 119.623 117.597 2.026 18485 909 1 2 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.182 -0.076 18485 910 1 2 . 1 1 52 52 VAL C C 52 176.682 176.682 176.977 -0.295 18485 911 1 2 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.756 -1.429 18485 912 1 2 . 1 1 52 52 VAL CB C 52 31.774 31.774 32.340 -0.566 18485 913 1 2 . 1 1 52 52 VAL H H 52 9.307 9.307 7.841 1.466 18485 914 1 2 . 1 1 53 53 LEU N N 53 118.392 118.392 120.694 -2.302 18485 915 1 2 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.196 0.062 18485 916 1 2 . 1 1 53 53 LEU C C 53 179.153 179.153 178.972 0.181 18485 917 1 2 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.979 -1.216 18485 918 1 2 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.304 -0.269 18485 919 1 2 . 1 1 53 53 LEU H H 53 9.008 9.008 8.324 0.684 18485 920 1 2 . 1 1 54 54 ALA N N 54 119.577 119.577 119.839 -0.262 18485 921 1 2 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.262 -0.022 18485 922 1 2 . 1 1 54 54 ALA C C 54 177.657 177.657 177.723 -0.066 18485 923 1 2 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.967 0.422 18485 924 1 2 . 1 1 54 54 ALA CB C 54 20.119 20.119 19.510 0.609 18485 925 1 2 . 1 1 54 54 ALA H H 54 7.304 7.304 8.112 -0.808 18485 926 1 2 . 1 1 55 55 HIS N N 55 114.383 114.383 118.791 -4.408 18485 927 1 2 . 1 1 55 55 HIS HA H 55 5.124 5.124 5.026 0.098 18485 928 1 2 . 1 1 55 55 HIS C C 55 174.238 174.238 173.326 0.912 18485 929 1 2 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.247 -0.153 18485 930 1 2 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.306 1.482 18485 931 1 2 . 1 1 55 55 HIS H H 55 6.894 6.894 7.697 -0.802 18485 932 1 2 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.288 0.038 18485 933 1 2 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.097 0.165 18485 934 1 2 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.290 -0.249 18485 935 1 2 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.774 0.213 18485 936 1 2 . 1 1 57 57 VAL C C 57 177.804 177.804 178.056 -0.252 18485 937 1 2 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.000 -0.673 18485 938 1 2 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.953 -0.732 18485 939 1 2 . 1 1 57 57 VAL H H 57 9.778 9.778 7.845 1.933 18485 940 1 2 . 1 1 58 58 VAL N N 58 120.641 120.641 119.358 1.283 18485 941 1 2 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.786 -0.254 18485 942 1 2 . 1 1 58 58 VAL C C 58 177.270 177.270 177.977 -0.707 18485 943 1 2 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.341 -0.431 18485 944 1 2 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.430 -0.008 18485 945 1 2 . 1 1 58 58 VAL H H 58 7.540 7.540 7.899 -0.359 18485 946 1 2 . 1 1 59 59 ARG N N 59 118.263 118.263 119.294 -1.031 18485 947 1 2 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.101 -0.187 18485 948 1 2 . 1 1 59 59 ARG C C 59 178.579 178.579 178.525 0.054 18485 949 1 2 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.510 0.470 18485 950 1 2 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.511 0.441 18485 951 1 2 . 1 1 59 59 ARG H H 59 7.536 7.536 7.818 -0.282 18485 952 1 2 . 1 1 60 60 SER N N 60 113.091 113.091 116.080 -2.989 18485 953 1 2 . 1 1 60 60 SER HA H 60 4.161 4.161 4.212 -0.051 18485 954 1 2 . 1 1 60 60 SER C C 60 175.761 175.761 176.108 -0.347 18485 955 1 2 . 1 1 60 60 SER CA C 60 61.435 61.435 61.563 -0.128 18485 956 1 2 . 1 1 60 60 SER CB C 60 62.721 62.721 63.117 -0.396 18485 957 1 2 . 1 1 60 60 SER H H 60 8.204 8.204 8.661 -0.457 18485 958 1 2 . 1 1 61 61 TYR N N 61 123.436 123.436 122.829 0.607 18485 959 1 2 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.106 -0.224 18485 960 1 2 . 1 1 61 61 TYR C C 61 177.731 177.731 177.125 0.606 18485 961 1 2 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.038 -0.010 18485 962 1 2 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.270 0.884 18485 963 1 2 . 1 1 61 61 TYR H H 61 8.024 8.024 7.911 0.113 18485 964 1 2 . 1 1 62 62 VAL N N 62 115.253 115.253 118.719 -3.466 18485 965 1 2 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.375 0.154 18485 966 1 2 . 1 1 62 62 VAL C C 62 176.990 176.990 177.611 -0.621 18485 967 1 2 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.795 -1.571 18485 968 1 2 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.201 0.235 18485 969 1 2 . 1 1 62 62 VAL H H 62 7.754 7.754 7.793 -0.039 18485 970 1 2 . 1 1 63 63 LYS N N 63 117.543 117.543 118.122 -0.579 18485 971 1 2 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.031 -0.002 18485 972 1 2 . 1 1 63 63 LYS C C 63 177.549 177.549 178.539 -0.990 18485 973 1 2 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.474 -0.147 18485 974 1 2 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.356 0.405 18485 975 1 2 . 1 1 63 63 LYS H H 63 7.367 7.367 7.673 -0.306 18485 976 1 2 . 1 1 64 64 GLU N N 64 116.093 116.093 115.227 0.866 18485 977 1 2 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.294 -0.180 18485 978 1 2 . 1 1 64 64 GLU C C 64 177.547 177.547 176.968 0.579 18485 979 1 2 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.828 -0.322 18485 980 1 2 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.069 -0.692 18485 981 1 2 . 1 1 64 64 GLU H H 64 7.701 7.701 8.049 -0.347 18485 982 1 2 . 1 1 65 65 VAL N N 65 116.739 116.739 118.003 -1.264 18485 983 1 2 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.003 -0.168 18485 984 1 2 . 1 1 65 65 VAL C C 65 176.335 176.335 176.385 -0.050 18485 985 1 2 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.344 0.152 18485 986 1 2 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.944 -0.702 18485 987 1 2 . 1 1 65 65 VAL H H 65 7.608 7.608 7.753 -0.145 18485 988 1 2 . 1 1 66 66 SER N N 66 114.353 114.353 117.436 -3.083 18485 989 1 2 . 1 1 66 66 SER HA H 66 4.230 4.230 4.595 -0.365 18485 990 1 2 . 1 1 66 66 SER C C 66 174.345 174.345 174.527 -0.182 18485 991 1 2 . 1 1 66 66 SER CA C 66 58.038 58.038 58.098 -0.060 18485 992 1 2 . 1 1 66 66 SER CB C 66 63.898 63.898 61.136 2.763 18485 993 1 2 . 1 1 66 66 SER H H 66 7.526 7.526 7.896 -0.370 18485 994 1 2 . 1 1 67 67 GLU N N 67 121.681 121.681 122.349 -0.668 18485 995 1 2 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.188 -0.323 18485 996 1 2 . 1 1 67 67 GLU C C 67 175.748 175.748 176.374 -0.626 18485 997 1 2 . 1 1 67 67 GLU CA C 67 57.845 57.845 56.587 1.258 18485 998 1 2 . 1 1 67 67 GLU CB C 67 29.380 29.380 29.240 0.140 18485 999 1 2 . 1 1 67 67 GLU H H 67 7.966 7.966 7.798 0.168 18485 1000 1 2 . 1 1 68 68 TRP N N 68 119.264 119.264 122.381 -3.117 18485 1001 1 2 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.592 0.343 18485 1002 1 2 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.903 -1.047 18485 1003 1 2 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.681 1.036 18485 1004 1 2 . 1 1 68 68 TRP H H 68 7.633 7.633 7.434 0.199 18485 1005 1 2 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.304 0.138 18485 1006 1 2 . 1 1 69 69 PRO C C 69 176.375 176.375 175.947 0.428 18485 1007 1 2 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.019 -0.452 18485 1008 1 2 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.653 -0.140 18485 1009 1 2 . 1 1 70 70 THR N N 70 114.312 114.312 115.761 -1.449 18485 1010 1 2 . 1 1 70 70 THR HA H 70 4.344 4.344 4.293 0.051 18485 1011 1 2 . 1 1 70 70 THR C C 70 172.275 172.275 174.020 -1.745 18485 1012 1 2 . 1 1 70 70 THR CA C 70 61.465 61.465 63.079 -1.614 18485 1013 1 2 . 1 1 70 70 THR CB C 70 70.433 70.433 69.689 0.744 18485 1014 1 2 . 1 1 70 70 THR H H 70 7.162 7.162 7.568 -0.406 18485 1015 1 2 . 1 1 71 71 ILE N N 71 123.770 123.770 123.062 0.708 18485 1016 1 2 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.550 -0.048 18485 1017 1 2 . 1 1 71 71 ILE C C 71 175.106 175.106 175.125 -0.019 18485 1018 1 2 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.504 -1.749 18485 1019 1 2 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.875 0.202 18485 1020 1 2 . 1 1 71 71 ILE H H 71 8.398 8.398 8.219 0.179 18485 1021 1 2 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.850 0.708 18485 1022 1 2 . 1 1 72 72 PRO C C 72 175.507 175.507 175.648 -0.141 18485 1023 1 2 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.679 -0.241 18485 1024 1 2 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.229 4.427 18485 1025 1 2 . 1 1 73 73 GLN N N 73 112.013 112.013 116.327 -4.314 18485 1026 1 2 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.417 -0.325 18485 1027 1 2 . 1 1 73 73 GLN C C 73 174.559 174.559 175.020 -0.461 18485 1028 1 2 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.994 0.535 18485 1029 1 2 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.487 0.953 18485 1030 1 2 . 1 1 73 73 GLN H H 73 8.521 8.521 8.327 0.194 18485 1031 1 2 . 1 1 74 74 LEU N N 74 124.684 124.684 123.015 1.669 18485 1032 1 2 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.329 0.003 18485 1033 1 2 . 1 1 74 74 LEU C C 74 172.761 172.761 174.617 -1.856 18485 1034 1 2 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.870 0.685 18485 1035 1 2 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.141 0.902 18485 1036 1 2 . 1 1 74 74 LEU H H 74 8.266 8.266 8.749 -0.483 18485 1037 1 2 . 1 1 75 75 PHE N N 75 126.827 126.827 124.270 2.557 18485 1038 1 2 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.504 -0.261 18485 1039 1 2 . 1 1 75 75 PHE C C 75 174.813 174.813 174.731 0.082 18485 1040 1 2 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.498 0.570 18485 1041 1 2 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.377 -0.729 18485 1042 1 2 . 1 1 75 75 PHE H H 75 9.692 9.692 9.443 0.249 18485 1043 1 2 . 1 1 76 76 ILE N N 76 118.421 118.421 122.507 -4.086 18485 1044 1 2 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.023 0.080 18485 1045 1 2 . 1 1 76 76 ILE C C 76 176.242 176.242 176.242 0.000 18485 1046 1 2 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.141 0.052 18485 1047 1 2 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.049 0.476 18485 1048 1 2 . 1 1 76 76 ILE H H 76 8.612 8.612 9.128 -0.516 18485 1049 1 2 . 1 1 77 77 LYS N N 77 129.856 129.856 126.507 3.349 18485 1050 1 2 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.937 0.255 18485 1051 1 2 . 1 1 77 77 LYS C C 77 175.887 175.887 176.544 -0.657 18485 1052 1 2 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.139 -0.538 18485 1053 1 2 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.375 1.224 18485 1054 1 2 . 1 1 77 77 LYS H H 77 10.357 10.357 9.176 1.181 18485 1055 1 2 . 1 1 78 78 ALA N N 78 114.323 114.323 116.559 -2.236 18485 1056 1 2 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.045 -0.207 18485 1057 1 2 . 1 1 78 78 ALA C C 78 175.949 175.949 176.643 -0.694 18485 1058 1 2 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.840 -0.322 18485 1059 1 2 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.500 -0.265 18485 1060 1 2 . 1 1 78 78 ALA H H 78 9.554 9.554 8.794 0.760 18485 1061 1 2 . 1 1 79 79 GLU N N 79 120.498 120.498 118.871 1.627 18485 1062 1 2 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.719 0.045 18485 1063 1 2 . 1 1 79 79 GLU C C 79 175.200 175.200 175.206 -0.006 18485 1064 1 2 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.346 0.425 18485 1065 1 2 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.124 -0.123 18485 1066 1 2 . 1 1 79 79 GLU H H 79 8.219 8.219 7.663 0.556 18485 1067 1 2 . 1 1 80 80 PHE N N 80 125.962 125.962 126.303 -0.341 18485 1068 1 2 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.267 0.125 18485 1069 1 2 . 1 1 80 80 PHE C C 80 175.280 175.280 174.488 0.792 18485 1070 1 2 . 1 1 80 80 PHE CA C 80 58.259 58.259 57.833 0.426 18485 1071 1 2 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.904 -0.356 18485 1072 1 2 . 1 1 80 80 PHE H H 80 8.935 8.935 8.762 0.173 18485 1073 1 2 . 1 1 81 81 VAL N N 81 128.637 128.637 125.684 2.953 18485 1074 1 2 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.808 -0.039 18485 1075 1 2 . 1 1 81 81 VAL C C 81 174.733 174.733 175.454 -0.721 18485 1076 1 2 . 1 1 81 81 VAL CA C 81 63.039 63.039 61.808 1.231 18485 1077 1 2 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.721 -1.083 18485 1078 1 2 . 1 1 81 81 VAL H H 81 8.288 8.288 8.351 -0.063 18485 1079 1 2 . 1 1 82 82 GLY N N 82 100.310 100.310 105.514 -5.204 18485 1080 1 2 . 1 1 82 82 GLY C C 82 172.515 172.515 172.471 0.044 18485 1081 1 2 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.017 1.203 18485 1082 1 2 . 1 1 82 82 GLY H H 82 5.816 5.816 6.466 -0.650 18485 1083 1 2 . 1 1 83 83 GLY N N 83 104.342 104.342 105.584 -1.242 18485 1084 1 2 . 1 1 83 83 GLY C C 83 173.758 173.758 174.895 -1.137 18485 1085 1 2 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.493 0.330 18485 1086 1 2 . 1 1 83 83 GLY H H 83 7.401 7.401 8.140 -0.739 18485 1087 1 2 . 1 1 84 84 LEU N N 84 118.350 118.350 121.398 -3.048 18485 1088 1 2 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.135 -0.354 18485 1089 1 2 . 1 1 84 84 LEU C C 84 178.245 178.245 178.553 -0.308 18485 1090 1 2 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.768 0.486 18485 1091 1 2 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.592 1.010 18485 1092 1 2 . 1 1 84 84 LEU H H 84 8.807 8.807 8.809 -0.002 18485 1093 1 2 . 1 1 85 85 ASP N N 85 118.373 118.373 117.895 0.478 18485 1094 1 2 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.346 -0.080 18485 1095 1 2 . 1 1 85 85 ASP C C 85 178.296 178.296 178.067 0.229 18485 1096 1 2 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.208 0.404 18485 1097 1 2 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.387 -0.888 18485 1098 1 2 . 1 1 85 85 ASP H H 85 8.697 8.697 8.554 0.143 18485 1099 1 2 . 1 1 86 86 ILE N N 86 120.495 120.495 118.649 1.846 18485 1100 1 2 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.888 -0.042 18485 1101 1 2 . 1 1 86 86 ILE C C 86 177.657 177.657 178.131 -0.474 18485 1102 1 2 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.774 -0.916 18485 1103 1 2 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.060 0.453 18485 1104 1 2 . 1 1 86 86 ILE H H 86 7.605 7.605 7.600 0.005 18485 1105 1 2 . 1 1 87 87 VAL N N 87 120.596 120.596 117.428 3.168 18485 1106 1 2 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.672 -0.365 18485 1107 1 2 . 1 1 87 87 VAL C C 87 177.629 177.629 177.667 -0.038 18485 1108 1 2 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.700 1.011 18485 1109 1 2 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.969 0.696 18485 1110 1 2 . 1 1 87 87 VAL H H 87 7.934 7.934 7.820 0.114 18485 1111 1 2 . 1 1 88 88 THR N N 88 112.971 112.971 113.564 -0.593 18485 1112 1 2 . 1 1 88 88 THR HA H 88 3.822 3.822 3.976 -0.154 18485 1113 1 2 . 1 1 88 88 THR C C 88 176.896 176.896 176.642 0.254 18485 1114 1 2 . 1 1 88 88 THR CA C 88 66.898 66.898 66.176 0.722 18485 1115 1 2 . 1 1 88 88 THR CB C 88 68.370 68.370 68.338 0.032 18485 1116 1 2 . 1 1 88 88 THR H H 88 8.719 8.719 7.893 0.826 18485 1117 1 2 . 1 1 89 89 LYS N N 89 123.633 123.633 123.226 0.407 18485 1118 1 2 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.163 -0.014 18485 1119 1 2 . 1 1 89 89 LYS C C 89 179.648 179.648 179.180 0.468 18485 1120 1 2 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.449 0.177 18485 1121 1 2 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.163 -0.075 18485 1122 1 2 . 1 1 89 89 LYS H H 89 7.568 7.568 8.009 -0.441 18485 1123 1 2 . 1 1 90 90 MET N N 90 118.147 118.147 118.922 -0.775 18485 1124 1 2 . 1 1 90 90 MET HA H 90 4.333 4.333 4.098 0.235 18485 1125 1 2 . 1 1 90 90 MET C C 90 179.634 179.634 178.467 1.167 18485 1126 1 2 . 1 1 90 90 MET CA C 90 58.590 58.590 59.286 -0.696 18485 1127 1 2 . 1 1 90 90 MET CB C 90 34.033 34.033 32.384 1.649 18485 1128 1 2 . 1 1 90 90 MET H H 90 8.520 8.520 8.135 0.385 18485 1129 1 2 . 1 1 91 91 LEU N N 91 124.789 124.789 121.192 3.597 18485 1130 1 2 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.995 0.205 18485 1131 1 2 . 1 1 91 91 LEU C C 91 179.696 179.696 179.224 0.472 18485 1132 1 2 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.724 0.357 18485 1133 1 2 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.743 0.118 18485 1134 1 2 . 1 1 91 91 LEU H H 91 8.792 8.792 7.858 0.934 18485 1135 1 2 . 1 1 92 92 GLU N N 92 118.965 118.965 119.828 -0.863 18485 1136 1 2 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.005 0.012 18485 1137 1 2 . 1 1 92 92 GLU C C 92 178.352 178.352 178.481 -0.129 18485 1138 1 2 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.185 -0.107 18485 1139 1 2 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.688 0.003 18485 1140 1 2 . 1 1 92 92 GLU H H 92 7.999 7.999 8.379 -0.380 18485 1141 1 2 . 1 1 93 93 SER N N 93 111.381 111.381 111.991 -0.610 18485 1142 1 2 . 1 1 93 93 SER HA H 93 4.406 4.406 4.429 -0.023 18485 1143 1 2 . 1 1 93 93 SER C C 93 175.948 175.948 174.801 1.147 18485 1144 1 2 . 1 1 93 93 SER CA C 93 59.192 59.192 59.141 0.051 18485 1145 1 2 . 1 1 93 93 SER CB C 93 64.227 64.227 63.550 0.677 18485 1146 1 2 . 1 1 93 93 SER H H 93 8.270 8.270 8.067 0.203 18485 1147 1 2 . 1 1 94 94 GLY N N 94 109.172 109.172 108.411 0.761 18485 1148 1 2 . 1 1 94 94 GLY C C 94 174.906 174.906 175.524 -0.618 18485 1149 1 2 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.084 -0.701 18485 1150 1 2 . 1 1 94 94 GLY H H 94 7.406 7.406 7.623 -0.217 18485 1151 1 2 . 1 1 95 95 ASP N N 95 122.640 122.640 121.916 0.724 18485 1152 1 2 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.555 -0.076 18485 1153 1 2 . 1 1 95 95 ASP C C 95 178.486 178.486 177.863 0.623 18485 1154 1 2 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.889 0.362 18485 1155 1 2 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.865 0.505 18485 1156 1 2 . 1 1 95 95 ASP H H 95 8.337 8.337 7.766 0.571 18485 1157 1 2 . 1 1 96 96 LEU N N 96 122.329 122.329 120.476 1.853 18485 1158 1 2 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.069 0.012 18485 1159 1 2 . 1 1 96 96 LEU C C 96 177.070 177.070 178.391 -1.321 18485 1160 1 2 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.769 0.191 18485 1161 1 2 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.922 -1.020 18485 1162 1 2 . 1 1 96 96 LEU H H 96 7.992 7.992 7.592 0.400 18485 1163 1 2 . 1 1 97 97 LYS N N 97 118.159 118.159 117.880 0.279 18485 1164 1 2 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.900 0.021 18485 1165 1 2 . 1 1 97 97 LYS C C 97 178.245 178.245 178.697 -0.452 18485 1166 1 2 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.615 0.485 18485 1167 1 2 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.895 0.032 18485 1168 1 2 . 1 1 97 97 LYS H H 97 8.254 8.254 8.214 0.040 18485 1169 1 2 . 1 1 98 98 LYS N N 98 117.677 117.677 120.026 -2.349 18485 1170 1 2 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.002 -0.065 18485 1171 1 2 . 1 1 98 98 LYS C C 98 177.471 177.471 178.832 -1.361 18485 1172 1 2 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.318 0.612 18485 1173 1 2 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.324 0.416 18485 1174 1 2 . 1 1 98 98 LYS H H 98 7.388 7.388 7.488 -0.100 18485 1175 1 2 . 1 1 99 99 MET N N 99 119.426 119.426 119.185 0.241 18485 1176 1 2 . 1 1 99 99 MET HA H 99 4.138 4.138 4.138 -0.000 18485 1177 1 2 . 1 1 99 99 MET C C 99 178.018 178.018 178.435 -0.417 18485 1178 1 2 . 1 1 99 99 MET CA C 99 59.151 59.151 58.835 0.316 18485 1179 1 2 . 1 1 99 99 MET CB C 99 32.550 32.550 32.544 0.006 18485 1180 1 2 . 1 1 99 99 MET H H 99 7.934 7.934 7.732 0.202 18485 1181 1 2 . 1 1 100 100 LEU N N 100 118.006 118.006 118.918 -0.912 18485 1182 1 2 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.877 -0.086 18485 1183 1 2 . 1 1 100 100 LEU C C 100 178.592 178.592 178.803 -0.211 18485 1184 1 2 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.072 0.530 18485 1185 1 2 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.300 -0.599 18485 1186 1 2 . 1 1 100 100 LEU H H 100 8.131 8.131 7.719 0.412 18485 1187 1 2 . 1 1 101 101 ARG N N 101 118.551 118.551 118.923 -0.372 18485 1188 1 2 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.045 0.081 18485 1189 1 2 . 1 1 101 101 ARG C C 101 181.117 181.117 178.895 2.222 18485 1190 1 2 . 1 1 101 101 ARG CA C 101 59.277 59.277 59.062 0.215 18485 1191 1 2 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.537 0.255 18485 1192 1 2 . 1 1 101 101 ARG H H 101 8.045 8.045 7.719 0.326 18485 1193 1 2 . 1 1 102 102 ASP N N 102 122.544 122.544 121.527 1.017 18485 1194 1 2 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.500 -0.095 18485 1195 1 2 . 1 1 102 102 ASP C C 102 178.405 178.405 177.990 0.415 18485 1196 1 2 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.718 0.584 18485 1197 1 2 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.872 -0.559 18485 1198 1 2 . 1 1 102 102 ASP H H 102 8.828 8.828 8.197 0.631 18485 1199 1 2 . 1 1 103 103 LYS N N 103 116.177 116.177 116.659 -0.482 18485 1200 1 2 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.534 -0.138 18485 1201 1 2 . 1 1 103 103 LYS C C 103 176.282 176.282 175.825 0.457 18485 1202 1 2 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.554 0.770 18485 1203 1 2 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.728 -0.013 18485 1204 1 2 . 1 1 103 103 LYS H H 103 7.847 7.847 7.990 -0.143 18485 1205 1 2 . 1 1 104 104 GLY N N 104 108.597 108.597 107.409 1.188 18485 1206 1 2 . 1 1 104 104 GLY C C 104 174.450 174.450 174.667 -0.217 18485 1207 1 2 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.477 0.846 18485 1208 1 2 . 1 1 104 104 GLY H H 104 7.930 7.930 7.427 0.503 18485 1209 1 2 . 1 1 105 105 ILE N N 105 123.232 123.232 119.847 3.385 18485 1210 1 2 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.359 -0.250 18485 1211 1 2 . 1 1 105 105 ILE C C 105 175.374 175.374 176.301 -0.927 18485 1212 1 2 . 1 1 105 105 ILE CA C 105 60.643 60.643 59.973 0.670 18485 1213 1 2 . 1 1 105 105 ILE CB C 105 38.688 38.688 40.091 -1.403 18485 1214 1 2 . 1 1 105 105 ILE H H 105 8.323 8.323 8.025 0.298 18485 1215 1 2 . 1 1 106 106 THR N N 106 123.522 123.522 122.403 1.119 18485 1216 1 2 . 1 1 106 106 THR HA H 106 4.155 4.155 4.220 -0.065 18485 1217 1 2 . 1 1 106 106 THR C C 106 173.223 173.223 173.261 -0.038 18485 1218 1 2 . 1 1 106 106 THR CA C 106 63.189 63.189 63.538 -0.350 18485 1219 1 2 . 1 1 106 106 THR CB C 106 69.242 69.242 68.892 0.350 18485 1220 1 2 . 1 1 106 106 THR H H 106 8.521 8.521 8.615 -0.094 18485 1221 1 2 . 1 1 107 107 CYS N N 107 120.688 120.688 122.233 -1.545 18485 1222 1 2 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.326 -0.459 18485 1223 1 2 . 1 1 107 107 CYS C C 107 173.798 173.798 173.498 0.300 18485 1224 1 2 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.464 0.088 18485 1225 1 2 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.212 -0.750 18485 1226 1 2 . 1 1 107 107 CYS H H 107 8.247 8.247 8.023 0.224 18485 1227 1 2 . 1 1 108 108 ARG N N 108 122.349 122.349 120.605 1.744 18485 1228 1 2 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.370 -0.079 18485 1229 1 2 . 1 1 108 108 ARG C C 108 175.547 175.547 176.129 -0.582 18485 1230 1 2 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.003 0.297 18485 1231 1 2 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.881 0.395 18485 1232 1 2 . 1 1 108 108 ARG H H 108 8.512 8.512 8.447 0.065 18485 1233 1 2 . 1 1 109 109 ASP N N 109 121.453 121.453 121.473 -0.020 18485 1234 1 2 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.455 0.170 18485 1235 1 2 . 1 1 109 109 ASP C C 109 174.973 174.973 176.497 -1.524 18485 1236 1 2 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.323 -1.084 18485 1237 1 2 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.058 -0.102 18485 1238 1 2 . 1 1 109 109 ASP H H 109 8.399 8.399 8.355 0.044 18485 1239 1 3 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.029 0.383 18485 1240 1 3 . 1 1 2 2 ALA C C 2 177.283 177.283 176.765 0.518 18485 1241 1 3 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.470 -0.186 18485 1242 1 3 . 1 1 2 2 ALA CB C 2 19.504 19.504 18.537 0.967 18485 1243 1 3 . 1 1 3 3 MET N N 3 121.052 121.052 124.731 -3.679 18485 1244 1 3 . 1 1 3 3 MET HA H 3 4.458 4.458 4.622 -0.164 18485 1245 1 3 . 1 1 3 3 MET C C 3 175.185 175.185 175.988 -0.803 18485 1246 1 3 . 1 1 3 3 MET CA C 3 56.001 56.001 55.623 0.378 18485 1247 1 3 . 1 1 3 3 MET CB C 3 34.282 34.282 33.722 0.560 18485 1248 1 3 . 1 1 3 3 MET H H 3 8.313 8.313 8.521 -0.208 18485 1249 1 3 . 1 1 4 4 VAL N N 4 116.976 116.976 120.004 -3.028 18485 1250 1 3 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.695 -0.053 18485 1251 1 3 . 1 1 4 4 VAL C C 4 176.976 176.976 175.976 1.000 18485 1252 1 3 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.171 0.581 18485 1253 1 3 . 1 1 4 4 VAL CB C 4 34.878 34.878 33.986 0.892 18485 1254 1 3 . 1 1 4 4 VAL H H 4 8.432 8.432 8.873 -0.441 18485 1255 1 3 . 1 1 5 5 LYS N N 5 123.795 123.795 123.324 0.471 18485 1256 1 3 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.071 -0.485 18485 1257 1 3 . 1 1 5 5 LYS C C 5 178.205 178.205 178.296 -0.091 18485 1258 1 3 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.764 1.298 18485 1259 1 3 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.469 -0.246 18485 1260 1 3 . 1 1 5 5 LYS H H 5 8.725 8.725 8.787 -0.062 18485 1261 1 3 . 1 1 6 6 LYS N N 6 117.559 117.559 118.699 -1.140 18485 1262 1 3 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.040 0.034 18485 1263 1 3 . 1 1 6 6 LYS C C 6 176.976 176.976 178.503 -1.527 18485 1264 1 3 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.297 -0.278 18485 1265 1 3 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.035 0.623 18485 1266 1 3 . 1 1 6 6 LYS H H 6 8.395 8.395 8.428 -0.033 18485 1267 1 3 . 1 1 7 7 ASP N N 7 116.710 116.710 119.223 -2.513 18485 1268 1 3 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.493 -0.129 18485 1269 1 3 . 1 1 7 7 ASP C C 7 179.180 179.180 178.500 0.680 18485 1270 1 3 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.150 0.260 18485 1271 1 3 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.574 0.301 18485 1272 1 3 . 1 1 7 7 ASP H H 7 7.415 7.415 8.155 -0.740 18485 1273 1 3 . 1 1 8 8 ILE N N 8 120.990 120.990 120.180 0.810 18485 1274 1 3 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.521 -0.244 18485 1275 1 3 . 1 1 8 8 ILE C C 8 177.537 177.537 177.403 0.134 18485 1276 1 3 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.919 -0.359 18485 1277 1 3 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.524 -0.455 18485 1278 1 3 . 1 1 8 8 ILE H H 8 7.302 7.302 7.465 -0.163 18485 1279 1 3 . 1 1 9 9 ASP N N 9 120.214 120.214 121.316 -1.102 18485 1280 1 3 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.371 -0.164 18485 1281 1 3 . 1 1 9 9 ASP C C 9 178.564 178.564 178.125 0.439 18485 1282 1 3 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.806 0.202 18485 1283 1 3 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.045 0.837 18485 1284 1 3 . 1 1 9 9 ASP H H 9 7.884 7.884 8.238 -0.354 18485 1285 1 3 . 1 1 10 10 ASP N N 10 117.314 117.314 117.761 -0.447 18485 1286 1 3 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.502 -0.178 18485 1287 1 3 . 1 1 10 10 ASP C C 10 179.340 179.340 178.427 0.913 18485 1288 1 3 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.998 0.188 18485 1289 1 3 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.019 -1.106 18485 1290 1 3 . 1 1 10 10 ASP H H 10 8.856 8.856 8.245 0.611 18485 1291 1 3 . 1 1 11 11 THR N N 11 119.032 119.032 116.029 3.003 18485 1292 1 3 . 1 1 11 11 THR HA H 11 4.061 4.061 4.125 -0.064 18485 1293 1 3 . 1 1 11 11 THR C C 11 175.574 175.574 176.358 -0.784 18485 1294 1 3 . 1 1 11 11 THR CA C 11 67.210 67.210 66.823 0.387 18485 1295 1 3 . 1 1 11 11 THR CB C 11 68.319 68.319 69.103 -0.784 18485 1296 1 3 . 1 1 11 11 THR H H 11 7.670 7.670 7.680 -0.010 18485 1297 1 3 . 1 1 12 12 ILE N N 12 122.228 122.228 121.951 0.277 18485 1298 1 3 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.729 -0.090 18485 1299 1 3 . 1 1 12 12 ILE C C 12 177.455 177.455 177.383 0.072 18485 1300 1 3 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.005 -0.096 18485 1301 1 3 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.706 -0.128 18485 1302 1 3 . 1 1 12 12 ILE H H 12 8.303 8.303 8.379 -0.076 18485 1303 1 3 . 1 1 13 13 LYS N N 13 114.462 114.462 116.764 -2.302 18485 1304 1 3 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.247 -0.113 18485 1305 1 3 . 1 1 13 13 LYS C C 13 177.547 177.547 177.362 0.185 18485 1306 1 3 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.348 1.052 18485 1307 1 3 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.550 0.456 18485 1308 1 3 . 1 1 13 13 LYS H H 13 7.709 7.709 8.000 -0.291 18485 1309 1 3 . 1 1 14 14 SER N N 14 112.642 112.642 114.992 -2.350 18485 1310 1 3 . 1 1 14 14 SER HA H 14 4.551 4.551 4.483 0.068 18485 1311 1 3 . 1 1 14 14 SER C C 14 174.532 174.532 174.951 -0.419 18485 1312 1 3 . 1 1 14 14 SER CA C 14 59.744 59.744 59.690 0.054 18485 1313 1 3 . 1 1 14 14 SER CB C 14 65.009 65.009 64.641 0.368 18485 1314 1 3 . 1 1 14 14 SER H H 14 7.749 7.749 7.644 0.105 18485 1315 1 3 . 1 1 15 15 GLU N N 15 121.266 121.266 121.493 -0.227 18485 1316 1 3 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.363 0.201 18485 1317 1 3 . 1 1 15 15 GLU C C 15 176.789 176.789 176.917 -0.128 18485 1318 1 3 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.594 -1.149 18485 1319 1 3 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.786 -0.460 18485 1320 1 3 . 1 1 15 15 GLU H H 15 8.101 8.101 8.194 -0.093 18485 1321 1 3 . 1 1 16 16 ASP N N 16 122.253 122.253 121.022 1.231 18485 1322 1 3 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.663 -0.323 18485 1323 1 3 . 1 1 16 16 ASP C C 16 176.469 176.469 175.899 0.570 18485 1324 1 3 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.700 2.059 18485 1325 1 3 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.158 -1.340 18485 1326 1 3 . 1 1 16 16 ASP H H 16 8.685 8.685 8.792 -0.107 18485 1327 1 3 . 1 1 17 17 VAL N N 17 118.536 118.536 117.957 0.579 18485 1328 1 3 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.925 -0.010 18485 1329 1 3 . 1 1 17 17 VAL C C 17 174.452 174.452 173.986 0.466 18485 1330 1 3 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.098 0.805 18485 1331 1 3 . 1 1 17 17 VAL CB C 17 34.377 34.377 35.047 -0.670 18485 1332 1 3 . 1 1 17 17 VAL H H 17 8.547 8.547 7.743 0.804 18485 1333 1 3 . 1 1 18 18 VAL N N 18 125.917 125.917 126.451 -0.534 18485 1334 1 3 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.315 -0.060 18485 1335 1 3 . 1 1 18 18 VAL C C 18 174.158 174.158 174.640 -0.482 18485 1336 1 3 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.159 -0.057 18485 1337 1 3 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.908 0.147 18485 1338 1 3 . 1 1 18 18 VAL H H 18 8.755 8.755 9.008 -0.253 18485 1339 1 3 . 1 1 19 19 THR N N 19 120.107 120.107 118.775 1.332 18485 1340 1 3 . 1 1 19 19 THR HA H 19 5.795 5.795 5.235 0.560 18485 1341 1 3 . 1 1 19 19 THR C C 19 171.126 171.126 172.787 -1.661 18485 1342 1 3 . 1 1 19 19 THR CA C 19 58.118 58.118 60.252 -2.134 18485 1343 1 3 . 1 1 19 19 THR CB C 19 72.547 72.547 71.682 0.865 18485 1344 1 3 . 1 1 19 19 THR H H 19 8.938 8.938 8.378 0.560 18485 1345 1 3 . 1 1 20 20 PHE N N 20 125.287 125.287 125.747 -0.460 18485 1346 1 3 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.494 0.010 18485 1347 1 3 . 1 1 20 20 PHE C C 20 175.200 175.200 175.083 0.117 18485 1348 1 3 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.920 -0.422 18485 1349 1 3 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.127 0.534 18485 1350 1 3 . 1 1 20 20 PHE H H 20 8.230 8.230 8.721 -0.491 18485 1351 1 3 . 1 1 21 21 ILE N N 21 114.660 114.660 116.938 -2.278 18485 1352 1 3 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.873 -0.061 18485 1353 1 3 . 1 1 21 21 ILE C C 21 173.918 173.918 173.979 -0.061 18485 1354 1 3 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.084 0.279 18485 1355 1 3 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.513 1.307 18485 1356 1 3 . 1 1 21 21 ILE H H 21 9.042 9.042 9.421 -0.379 18485 1357 1 3 . 1 1 22 22 LYS N N 22 117.197 117.197 122.540 -5.343 18485 1358 1 3 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.611 -0.008 18485 1359 1 3 . 1 1 22 22 LYS C C 22 175.935 175.935 175.495 0.440 18485 1360 1 3 . 1 1 22 22 LYS CA C 22 56.698 56.698 54.785 1.913 18485 1361 1 3 . 1 1 22 22 LYS CB C 22 33.193 33.193 32.229 0.964 18485 1362 1 3 . 1 1 22 22 LYS H H 22 8.581 8.581 8.633 -0.052 18485 1363 1 3 . 1 1 23 23 GLY N N 23 117.108 117.108 108.590 8.518 18485 1364 1 3 . 1 1 23 23 GLY C C 23 170.793 170.793 172.519 -1.726 18485 1365 1 3 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.717 -0.080 18485 1366 1 3 . 1 1 23 23 GLY H H 23 9.178 9.178 7.515 1.663 18485 1367 1 3 . 1 1 24 24 LEU N N 24 117.859 117.859 121.057 -3.198 18485 1368 1 3 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.604 0.256 18485 1369 1 3 . 1 1 24 24 LEU C C 24 176.709 176.709 176.042 0.667 18485 1370 1 3 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.647 -1.697 18485 1371 1 3 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.432 1.576 18485 1372 1 3 . 1 1 24 24 LEU H H 24 7.162 7.162 7.954 -0.792 18485 1373 1 3 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.398 -0.445 18485 1374 1 3 . 1 1 25 25 PRO C C 25 177.190 177.190 177.568 -0.378 18485 1375 1 3 . 1 1 25 25 PRO CA C 25 66.322 66.322 65.198 1.124 18485 1376 1 3 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.177 -0.453 18485 1377 1 3 . 1 1 26 26 GLU N N 26 111.260 111.260 117.148 -5.888 18485 1378 1 3 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.304 -0.099 18485 1379 1 3 . 1 1 26 26 GLU C C 26 176.429 176.429 176.446 -0.017 18485 1380 1 3 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.012 -0.269 18485 1381 1 3 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.525 -0.827 18485 1382 1 3 . 1 1 26 26 GLU H H 26 8.807 8.807 8.414 0.393 18485 1383 1 3 . 1 1 27 27 ALA N N 27 122.547 122.547 123.441 -0.894 18485 1384 1 3 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.627 -0.040 18485 1385 1 3 . 1 1 27 27 ALA C C 27 172.342 172.342 174.918 -2.576 18485 1386 1 3 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.917 0.967 18485 1387 1 3 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.858 -0.163 18485 1388 1 3 . 1 1 27 27 ALA H H 27 7.856 7.856 7.760 0.096 18485 1389 1 3 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.552 0.090 18485 1390 1 3 . 1 1 28 28 PRO C C 28 178.512 178.512 176.328 2.184 18485 1391 1 3 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.619 0.487 18485 1392 1 3 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.878 -0.813 18485 1393 1 3 . 1 1 29 29 MET N N 29 119.426 119.426 120.349 -0.923 18485 1394 1 3 . 1 1 29 29 MET HA H 29 4.758 4.758 4.594 0.164 18485 1395 1 3 . 1 1 29 29 MET C C 29 175.374 175.374 175.542 -0.168 18485 1396 1 3 . 1 1 29 29 MET CA C 29 54.594 54.594 56.522 -1.928 18485 1397 1 3 . 1 1 29 29 MET CB C 29 33.036 33.036 33.198 -0.162 18485 1398 1 3 . 1 1 29 29 MET H H 29 8.828 8.828 8.522 0.306 18485 1399 1 3 . 1 1 30 30 CYS N N 30 116.089 116.089 116.518 -0.429 18485 1400 1 3 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.595 0.257 18485 1401 1 3 . 1 1 30 30 CYS C C 30 176.028 176.028 174.420 1.608 18485 1402 1 3 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.625 1.100 18485 1403 1 3 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.775 1.484 18485 1404 1 3 . 1 1 30 30 CYS H H 30 7.455 7.455 7.558 -0.103 18485 1405 1 3 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.008 0.072 18485 1406 1 3 . 1 1 31 31 ALA C C 31 180.222 180.222 178.382 1.840 18485 1407 1 3 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.692 0.002 18485 1408 1 3 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.422 0.259 18485 1409 1 3 . 1 1 32 32 TYR N N 32 121.972 121.972 116.674 5.298 18485 1410 1 3 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.245 0.088 18485 1411 1 3 . 1 1 32 32 TYR C C 32 178.673 178.673 178.275 0.398 18485 1412 1 3 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.714 -0.785 18485 1413 1 3 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.379 -0.342 18485 1414 1 3 . 1 1 32 32 TYR H H 32 8.846 8.846 8.297 0.549 18485 1415 1 3 . 1 1 33 33 SER N N 33 125.375 125.375 115.316 10.059 18485 1416 1 3 . 1 1 33 33 SER HA H 33 4.013 4.013 4.235 -0.222 18485 1417 1 3 . 1 1 33 33 SER C C 33 174.906 174.906 176.251 -1.345 18485 1418 1 3 . 1 1 33 33 SER CA C 33 64.417 64.417 62.583 1.834 18485 1419 1 3 . 1 1 33 33 SER CB C 33 62.687 62.687 62.562 0.125 18485 1420 1 3 . 1 1 33 33 SER H H 33 10.272 10.272 7.947 2.325 18485 1421 1 3 . 1 1 34 34 LYS N N 34 121.216 121.216 122.780 -1.564 18485 1422 1 3 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.032 -0.179 18485 1423 1 3 . 1 1 34 34 LYS C C 34 177.083 177.083 178.808 -1.725 18485 1424 1 3 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.800 0.863 18485 1425 1 3 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.259 -0.109 18485 1426 1 3 . 1 1 34 34 LYS H H 34 8.024 8.024 7.703 0.321 18485 1427 1 3 . 1 1 35 35 ARG N N 35 117.269 117.269 119.437 -2.168 18485 1428 1 3 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.109 0.040 18485 1429 1 3 . 1 1 35 35 ARG C C 35 178.058 178.058 178.768 -0.710 18485 1430 1 3 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.361 0.615 18485 1431 1 3 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.740 -0.028 18485 1432 1 3 . 1 1 35 35 ARG H H 35 7.559 7.559 8.176 -0.617 18485 1433 1 3 . 1 1 36 36 MET N N 36 117.954 117.954 120.119 -2.165 18485 1434 1 3 . 1 1 36 36 MET HA H 36 4.068 4.068 4.199 -0.131 18485 1435 1 3 . 1 1 36 36 MET C C 36 176.963 176.963 178.325 -1.362 18485 1436 1 3 . 1 1 36 36 MET CA C 36 58.195 58.195 58.442 -0.247 18485 1437 1 3 . 1 1 36 36 MET CB C 36 31.742 31.742 32.221 -0.479 18485 1438 1 3 . 1 1 36 36 MET H H 36 8.027 8.027 8.284 -0.257 18485 1439 1 3 . 1 1 37 37 ILE N N 37 118.650 118.650 118.513 0.137 18485 1440 1 3 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.528 -0.008 18485 1441 1 3 . 1 1 37 37 ILE C C 37 177.631 177.631 177.758 -0.127 18485 1442 1 3 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.503 -1.630 18485 1443 1 3 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.164 -0.992 18485 1444 1 3 . 1 1 37 37 ILE H H 37 7.825 7.825 7.551 0.274 18485 1445 1 3 . 1 1 38 38 ASP N N 38 119.229 119.229 120.809 -1.580 18485 1446 1 3 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.367 -0.037 18485 1447 1 3 . 1 1 38 38 ASP C C 38 180.208 180.208 178.770 1.438 18485 1448 1 3 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.775 -0.245 18485 1449 1 3 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.777 -0.807 18485 1450 1 3 . 1 1 38 38 ASP H H 38 8.629 8.629 8.065 0.564 18485 1451 1 3 . 1 1 39 39 VAL N N 39 121.475 121.475 120.439 1.036 18485 1452 1 3 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.640 -0.065 18485 1453 1 3 . 1 1 39 39 VAL C C 39 177.056 177.056 177.976 -0.920 18485 1454 1 3 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.713 0.097 18485 1455 1 3 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.708 -0.213 18485 1456 1 3 . 1 1 39 39 VAL H H 39 7.879 7.879 8.017 -0.138 18485 1457 1 3 . 1 1 40 40 LEU N N 40 118.145 118.145 119.008 -0.863 18485 1458 1 3 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.893 -0.119 18485 1459 1 3 . 1 1 40 40 LEU C C 40 179.794 179.794 179.102 0.692 18485 1460 1 3 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.060 0.104 18485 1461 1 3 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.035 -0.438 18485 1462 1 3 . 1 1 40 40 LEU H H 40 7.574 7.574 7.479 0.095 18485 1463 1 3 . 1 1 41 41 GLU N N 41 116.305 116.305 118.855 -2.550 18485 1464 1 3 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.251 0.046 18485 1465 1 3 . 1 1 41 41 GLU C C 41 181.117 181.117 179.204 1.913 18485 1466 1 3 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.388 0.164 18485 1467 1 3 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.515 -0.394 18485 1468 1 3 . 1 1 41 41 GLU H H 41 8.871 8.871 8.567 0.304 18485 1469 1 3 . 1 1 42 42 ALA N N 42 124.797 124.797 121.560 3.237 18485 1470 1 3 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.197 -0.032 18485 1471 1 3 . 1 1 42 42 ALA C C 42 180.275 180.275 178.881 1.394 18485 1472 1 3 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.395 0.585 18485 1473 1 3 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.817 -1.158 18485 1474 1 3 . 1 1 42 42 ALA H H 42 8.285 8.285 8.410 -0.125 18485 1475 1 3 . 1 1 43 43 LEU N N 43 115.767 115.767 115.207 0.560 18485 1476 1 3 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.528 -0.279 18485 1477 1 3 . 1 1 43 43 LEU C C 43 177.177 177.177 176.924 0.253 18485 1478 1 3 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.500 0.906 18485 1479 1 3 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.371 1.112 18485 1480 1 3 . 1 1 43 43 LEU H H 43 7.528 7.528 7.694 -0.166 18485 1481 1 3 . 1 1 44 44 GLY N N 44 108.593 108.593 107.374 1.219 18485 1482 1 3 . 1 1 44 44 GLY C C 44 175.011 175.011 174.726 0.285 18485 1483 1 3 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.495 0.847 18485 1484 1 3 . 1 1 44 44 GLY H H 44 7.927 7.927 7.427 0.500 18485 1485 1 3 . 1 1 45 45 LEU N N 45 117.269 117.269 117.438 -0.169 18485 1486 1 3 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.757 -0.305 18485 1487 1 3 . 1 1 45 45 LEU C C 45 176.976 176.976 176.893 0.083 18485 1488 1 3 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.791 0.609 18485 1489 1 3 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.148 -0.432 18485 1490 1 3 . 1 1 45 45 LEU H H 45 7.482 7.482 8.101 -0.619 18485 1491 1 3 . 1 1 46 46 GLU N N 46 121.177 121.177 120.936 0.241 18485 1492 1 3 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.461 0.002 18485 1493 1 3 . 1 1 46 46 GLU C C 46 176.135 176.135 175.090 1.045 18485 1494 1 3 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.398 0.126 18485 1495 1 3 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.839 -0.606 18485 1496 1 3 . 1 1 46 46 GLU H H 46 8.250 8.250 8.681 -0.431 18485 1497 1 3 . 1 1 47 47 TYR N N 47 119.617 119.617 119.605 0.012 18485 1498 1 3 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.370 -0.072 18485 1499 1 3 . 1 1 47 47 TYR C C 47 173.798 173.798 174.752 -0.954 18485 1500 1 3 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.523 0.301 18485 1501 1 3 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.123 0.948 18485 1502 1 3 . 1 1 47 47 TYR H H 47 7.874 7.874 7.726 0.148 18485 1503 1 3 . 1 1 48 48 THR N N 48 117.577 117.577 117.956 -0.379 18485 1504 1 3 . 1 1 48 48 THR HA H 48 4.266 4.266 4.526 -0.260 18485 1505 1 3 . 1 1 48 48 THR C C 48 171.941 171.941 173.052 -1.111 18485 1506 1 3 . 1 1 48 48 THR CA C 48 62.299 62.299 61.530 0.769 18485 1507 1 3 . 1 1 48 48 THR CB C 48 70.899 70.899 70.598 0.301 18485 1508 1 3 . 1 1 48 48 THR H H 48 8.549 8.549 8.417 0.132 18485 1509 1 3 . 1 1 49 49 SER N N 49 121.488 121.488 121.163 0.325 18485 1510 1 3 . 1 1 49 49 SER HA H 49 5.516 5.516 5.025 0.491 18485 1511 1 3 . 1 1 49 49 SER C C 49 173.691 173.691 173.334 0.357 18485 1512 1 3 . 1 1 49 49 SER CA C 49 55.758 55.758 56.990 -1.232 18485 1513 1 3 . 1 1 49 49 SER CB C 49 66.386 66.386 64.505 1.881 18485 1514 1 3 . 1 1 49 49 SER H H 49 8.536 8.536 8.435 0.101 18485 1515 1 3 . 1 1 50 50 PHE N N 50 124.791 124.791 123.911 0.880 18485 1516 1 3 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.610 0.105 18485 1517 1 3 . 1 1 50 50 PHE C C 50 173.608 173.608 174.173 -0.565 18485 1518 1 3 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.044 0.295 18485 1519 1 3 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.416 1.113 18485 1520 1 3 . 1 1 50 50 PHE H H 50 8.627 8.627 8.835 -0.208 18485 1521 1 3 . 1 1 51 51 ASP N N 51 120.606 120.606 122.715 -2.109 18485 1522 1 3 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.590 -0.220 18485 1523 1 3 . 1 1 51 51 ASP C C 51 178.779 178.779 177.433 1.346 18485 1524 1 3 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.734 -0.500 18485 1525 1 3 . 1 1 51 51 ASP CB C 51 42.175 42.175 42.822 -0.647 18485 1526 1 3 . 1 1 51 51 ASP H H 51 8.415 8.415 8.558 -0.143 18485 1527 1 3 . 1 1 52 52 VAL N N 52 119.623 119.623 119.098 0.525 18485 1528 1 3 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.110 -0.004 18485 1529 1 3 . 1 1 52 52 VAL C C 52 176.682 176.682 176.678 0.004 18485 1530 1 3 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.410 -1.083 18485 1531 1 3 . 1 1 52 52 VAL CB C 52 31.774 31.774 32.129 -0.355 18485 1532 1 3 . 1 1 52 52 VAL H H 52 9.307 9.307 8.175 1.132 18485 1533 1 3 . 1 1 53 53 LEU N N 53 118.392 118.392 119.458 -1.066 18485 1534 1 3 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.305 -0.047 18485 1535 1 3 . 1 1 53 53 LEU C C 53 179.153 179.153 177.510 1.643 18485 1536 1 3 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.260 -0.497 18485 1537 1 3 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.224 -0.189 18485 1538 1 3 . 1 1 53 53 LEU H H 53 9.008 9.008 8.115 0.893 18485 1539 1 3 . 1 1 54 54 ALA N N 54 119.577 119.577 120.107 -0.530 18485 1540 1 3 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.422 -0.182 18485 1541 1 3 . 1 1 54 54 ALA C C 54 177.657 177.657 176.818 0.839 18485 1542 1 3 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.586 0.802 18485 1543 1 3 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.519 -0.400 18485 1544 1 3 . 1 1 54 54 ALA H H 54 7.304 7.304 7.796 -0.492 18485 1545 1 3 . 1 1 55 55 HIS N N 55 114.383 114.383 117.280 -2.897 18485 1546 1 3 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.819 0.305 18485 1547 1 3 . 1 1 55 55 HIS C C 55 174.238 174.238 173.139 1.099 18485 1548 1 3 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.970 -0.876 18485 1549 1 3 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.421 1.368 18485 1550 1 3 . 1 1 55 55 HIS H H 55 6.894 6.894 7.754 -0.860 18485 1551 1 3 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.410 -0.084 18485 1552 1 3 . 1 1 56 56 PRO CA C 56 65.262 65.262 64.956 0.306 18485 1553 1 3 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.566 -0.525 18485 1554 1 3 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.710 0.277 18485 1555 1 3 . 1 1 57 57 VAL C C 57 177.804 177.804 178.118 -0.314 18485 1556 1 3 . 1 1 57 57 VAL CA C 57 65.327 65.327 67.093 -1.766 18485 1557 1 3 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.700 -0.479 18485 1558 1 3 . 1 1 57 57 VAL H H 57 9.778 9.778 7.987 1.791 18485 1559 1 3 . 1 1 58 58 VAL N N 58 120.641 120.641 118.364 2.277 18485 1560 1 3 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.788 -0.256 18485 1561 1 3 . 1 1 58 58 VAL C C 58 177.270 177.270 177.619 -0.349 18485 1562 1 3 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.573 -0.663 18485 1563 1 3 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.649 -0.227 18485 1564 1 3 . 1 1 58 58 VAL H H 58 7.540 7.540 7.845 -0.305 18485 1565 1 3 . 1 1 59 59 ARG N N 59 118.263 118.263 118.699 -0.436 18485 1566 1 3 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.115 -0.201 18485 1567 1 3 . 1 1 59 59 ARG C C 59 178.579 178.579 178.559 0.020 18485 1568 1 3 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.212 0.768 18485 1569 1 3 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.579 0.373 18485 1570 1 3 . 1 1 59 59 ARG H H 59 7.536 7.536 7.538 -0.002 18485 1571 1 3 . 1 1 60 60 SER N N 60 113.091 113.091 115.822 -2.731 18485 1572 1 3 . 1 1 60 60 SER HA H 60 4.161 4.161 4.236 -0.075 18485 1573 1 3 . 1 1 60 60 SER C C 60 175.761 175.761 176.059 -0.298 18485 1574 1 3 . 1 1 60 60 SER CA C 60 61.435 61.435 61.467 -0.031 18485 1575 1 3 . 1 1 60 60 SER CB C 60 62.721 62.721 63.297 -0.576 18485 1576 1 3 . 1 1 60 60 SER H H 60 8.204 8.204 8.058 0.146 18485 1577 1 3 . 1 1 61 61 TYR N N 61 123.436 123.436 122.974 0.462 18485 1578 1 3 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.070 -0.188 18485 1579 1 3 . 1 1 61 61 TYR C C 61 177.731 177.731 177.178 0.553 18485 1580 1 3 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.404 -0.376 18485 1581 1 3 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.279 0.876 18485 1582 1 3 . 1 1 61 61 TYR H H 61 8.024 8.024 7.898 0.126 18485 1583 1 3 . 1 1 62 62 VAL N N 62 115.253 115.253 114.911 0.342 18485 1584 1 3 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.792 -0.263 18485 1585 1 3 . 1 1 62 62 VAL C C 62 176.990 176.990 177.687 -0.697 18485 1586 1 3 . 1 1 62 62 VAL CA C 62 65.224 65.224 64.898 0.326 18485 1587 1 3 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.038 0.398 18485 1588 1 3 . 1 1 62 62 VAL H H 62 7.754 7.754 7.429 0.325 18485 1589 1 3 . 1 1 63 63 LYS N N 63 117.543 117.543 120.038 -2.495 18485 1590 1 3 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.112 -0.083 18485 1591 1 3 . 1 1 63 63 LYS C C 63 177.549 177.549 179.175 -1.626 18485 1592 1 3 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.883 -0.556 18485 1593 1 3 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.192 0.569 18485 1594 1 3 . 1 1 63 63 LYS H H 63 7.367 7.367 7.422 -0.055 18485 1595 1 3 . 1 1 64 64 GLU N N 64 116.093 116.093 116.900 -0.807 18485 1596 1 3 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.321 -0.207 18485 1597 1 3 . 1 1 64 64 GLU C C 64 177.547 177.547 177.727 -0.180 18485 1598 1 3 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.264 -0.759 18485 1599 1 3 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.088 -0.711 18485 1600 1 3 . 1 1 64 64 GLU H H 64 7.701 7.701 8.131 -0.430 18485 1601 1 3 . 1 1 65 65 VAL N N 65 116.739 116.739 119.284 -2.545 18485 1602 1 3 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.876 -0.041 18485 1603 1 3 . 1 1 65 65 VAL C C 65 176.335 176.335 177.229 -0.894 18485 1604 1 3 . 1 1 65 65 VAL CA C 65 63.496 63.496 64.456 -0.960 18485 1605 1 3 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.553 -0.310 18485 1606 1 3 . 1 1 65 65 VAL H H 65 7.608 7.608 8.170 -0.562 18485 1607 1 3 . 1 1 66 66 SER N N 66 114.353 114.353 114.692 -0.339 18485 1608 1 3 . 1 1 66 66 SER HA H 66 4.230 4.230 4.071 0.159 18485 1609 1 3 . 1 1 66 66 SER C C 66 174.345 174.345 174.892 -0.547 18485 1610 1 3 . 1 1 66 66 SER CA C 66 58.038 58.038 59.459 -1.421 18485 1611 1 3 . 1 1 66 66 SER CB C 66 63.898 63.898 63.608 0.290 18485 1612 1 3 . 1 1 66 66 SER H H 66 7.526 7.526 7.946 -0.420 18485 1613 1 3 . 1 1 67 67 GLU N N 67 121.681 121.681 116.195 5.486 18485 1614 1 3 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.982 -0.117 18485 1615 1 3 . 1 1 67 67 GLU C C 67 175.748 175.748 175.027 0.721 18485 1616 1 3 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.253 0.592 18485 1617 1 3 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.876 1.504 18485 1618 1 3 . 1 1 67 67 GLU H H 67 7.966 7.966 7.905 0.061 18485 1619 1 3 . 1 1 68 68 TRP N N 68 119.264 119.264 120.636 -1.372 18485 1620 1 3 . 1 1 68 68 TRP HA H 68 4.935 4.935 5.011 -0.076 18485 1621 1 3 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.263 -0.407 18485 1622 1 3 . 1 1 68 68 TRP CB C 68 30.717 30.717 31.986 -1.269 18485 1623 1 3 . 1 1 68 68 TRP H H 68 7.633 7.633 7.769 -0.136 18485 1624 1 3 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.388 0.054 18485 1625 1 3 . 1 1 69 69 PRO C C 69 176.375 176.375 176.062 0.313 18485 1626 1 3 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.100 -0.533 18485 1627 1 3 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.777 -0.264 18485 1628 1 3 . 1 1 70 70 THR N N 70 114.312 114.312 116.017 -1.705 18485 1629 1 3 . 1 1 70 70 THR HA H 70 4.344 4.344 4.251 0.093 18485 1630 1 3 . 1 1 70 70 THR C C 70 172.275 172.275 173.677 -1.402 18485 1631 1 3 . 1 1 70 70 THR CA C 70 61.465 61.465 63.522 -2.057 18485 1632 1 3 . 1 1 70 70 THR CB C 70 70.433 70.433 69.652 0.781 18485 1633 1 3 . 1 1 70 70 THR H H 70 7.162 7.162 7.472 -0.310 18485 1634 1 3 . 1 1 71 71 ILE N N 71 123.770 123.770 122.825 0.945 18485 1635 1 3 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.544 -0.042 18485 1636 1 3 . 1 1 71 71 ILE C C 71 175.106 175.106 174.359 0.747 18485 1637 1 3 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.839 -2.084 18485 1638 1 3 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.624 0.452 18485 1639 1 3 . 1 1 71 71 ILE H H 71 8.398 8.398 8.294 0.104 18485 1640 1 3 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.921 0.637 18485 1641 1 3 . 1 1 72 72 PRO C C 72 175.507 175.507 175.596 -0.089 18485 1642 1 3 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.616 -0.178 18485 1643 1 3 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.424 4.232 18485 1644 1 3 . 1 1 73 73 GLN N N 73 112.013 112.013 115.884 -3.871 18485 1645 1 3 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.286 -0.194 18485 1646 1 3 . 1 1 73 73 GLN C C 73 174.559 174.559 174.789 -0.230 18485 1647 1 3 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.901 0.628 18485 1648 1 3 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.665 0.775 18485 1649 1 3 . 1 1 73 73 GLN H H 73 8.521 8.521 8.667 -0.146 18485 1650 1 3 . 1 1 74 74 LEU N N 74 124.684 124.684 121.795 2.889 18485 1651 1 3 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.272 0.060 18485 1652 1 3 . 1 1 74 74 LEU C C 74 172.761 172.761 174.631 -1.870 18485 1653 1 3 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.762 0.793 18485 1654 1 3 . 1 1 74 74 LEU CB C 74 47.043 47.043 45.972 1.071 18485 1655 1 3 . 1 1 74 74 LEU H H 74 8.266 8.266 8.662 -0.396 18485 1656 1 3 . 1 1 75 75 PHE N N 75 126.827 126.827 123.172 3.655 18485 1657 1 3 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.352 -0.109 18485 1658 1 3 . 1 1 75 75 PHE C C 75 174.813 174.813 174.637 0.176 18485 1659 1 3 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.744 0.324 18485 1660 1 3 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.527 -0.878 18485 1661 1 3 . 1 1 75 75 PHE H H 75 9.692 9.692 9.219 0.473 18485 1662 1 3 . 1 1 76 76 ILE N N 76 118.421 118.421 122.674 -4.253 18485 1663 1 3 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.886 0.217 18485 1664 1 3 . 1 1 76 76 ILE C C 76 176.242 176.242 176.344 -0.102 18485 1665 1 3 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.126 0.067 18485 1666 1 3 . 1 1 76 76 ILE CB C 76 40.525 40.525 39.883 0.642 18485 1667 1 3 . 1 1 76 76 ILE H H 76 8.612 8.612 9.174 -0.562 18485 1668 1 3 . 1 1 77 77 LYS N N 77 129.856 129.856 126.207 3.649 18485 1669 1 3 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.931 0.261 18485 1670 1 3 . 1 1 77 77 LYS C C 77 175.887 175.887 176.201 -0.314 18485 1671 1 3 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.272 -0.671 18485 1672 1 3 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.317 1.282 18485 1673 1 3 . 1 1 77 77 LYS H H 77 10.357 10.357 9.277 1.080 18485 1674 1 3 . 1 1 78 78 ALA N N 78 114.323 114.323 115.825 -1.502 18485 1675 1 3 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.146 -0.308 18485 1676 1 3 . 1 1 78 78 ALA C C 78 175.949 175.949 176.821 -0.872 18485 1677 1 3 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.615 -0.097 18485 1678 1 3 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.599 -0.364 18485 1679 1 3 . 1 1 78 78 ALA H H 78 9.554 9.554 8.767 0.787 18485 1680 1 3 . 1 1 79 79 GLU N N 79 120.498 120.498 118.585 1.913 18485 1681 1 3 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.899 -0.135 18485 1682 1 3 . 1 1 79 79 GLU C C 79 175.200 175.200 175.052 0.148 18485 1683 1 3 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.733 0.038 18485 1684 1 3 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.415 -0.413 18485 1685 1 3 . 1 1 79 79 GLU H H 79 8.219 8.219 7.859 0.360 18485 1686 1 3 . 1 1 80 80 PHE N N 80 125.962 125.962 124.150 1.812 18485 1687 1 3 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.733 -0.341 18485 1688 1 3 . 1 1 80 80 PHE C C 80 175.280 175.280 174.983 0.297 18485 1689 1 3 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.749 -0.490 18485 1690 1 3 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.139 -0.591 18485 1691 1 3 . 1 1 80 80 PHE H H 80 8.935 8.935 8.680 0.255 18485 1692 1 3 . 1 1 81 81 VAL N N 81 128.637 128.637 124.987 3.650 18485 1693 1 3 . 1 1 81 81 VAL HA H 81 3.769 3.769 4.051 -0.282 18485 1694 1 3 . 1 1 81 81 VAL C C 81 174.733 174.733 174.565 0.168 18485 1695 1 3 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.124 0.915 18485 1696 1 3 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.154 -0.516 18485 1697 1 3 . 1 1 81 81 VAL H H 81 8.288 8.288 7.932 0.356 18485 1698 1 3 . 1 1 82 82 GLY N N 82 100.310 100.310 104.500 -4.190 18485 1699 1 3 . 1 1 82 82 GLY C C 82 172.515 172.515 172.373 0.142 18485 1700 1 3 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.397 0.823 18485 1701 1 3 . 1 1 82 82 GLY H H 82 5.816 5.816 6.482 -0.666 18485 1702 1 3 . 1 1 83 83 GLY N N 83 104.342 104.342 106.403 -2.061 18485 1703 1 3 . 1 1 83 83 GLY C C 83 173.758 173.758 174.959 -1.201 18485 1704 1 3 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.743 0.080 18485 1705 1 3 . 1 1 83 83 GLY H H 83 7.401 7.401 8.220 -0.819 18485 1706 1 3 . 1 1 84 84 LEU N N 84 118.350 118.350 121.556 -3.206 18485 1707 1 3 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.140 -0.359 18485 1708 1 3 . 1 1 84 84 LEU C C 84 178.245 178.245 178.715 -0.470 18485 1709 1 3 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.955 0.299 18485 1710 1 3 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.601 1.001 18485 1711 1 3 . 1 1 84 84 LEU H H 84 8.807 8.807 8.657 0.150 18485 1712 1 3 . 1 1 85 85 ASP N N 85 118.373 118.373 117.747 0.626 18485 1713 1 3 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.418 -0.152 18485 1714 1 3 . 1 1 85 85 ASP C C 85 178.296 178.296 178.181 0.115 18485 1715 1 3 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.043 0.569 18485 1716 1 3 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.309 -0.810 18485 1717 1 3 . 1 1 85 85 ASP H H 85 8.697 8.697 8.621 0.076 18485 1718 1 3 . 1 1 86 86 ILE N N 86 120.495 120.495 118.864 1.631 18485 1719 1 3 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.906 -0.060 18485 1720 1 3 . 1 1 86 86 ILE C C 86 177.657 177.657 178.095 -0.438 18485 1721 1 3 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.606 -0.748 18485 1722 1 3 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.189 0.324 18485 1723 1 3 . 1 1 86 86 ILE H H 86 7.605 7.605 7.576 0.029 18485 1724 1 3 . 1 1 87 87 VAL N N 87 120.596 120.596 116.566 4.030 18485 1725 1 3 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.670 -0.363 18485 1726 1 3 . 1 1 87 87 VAL C C 87 177.629 177.629 177.770 -0.141 18485 1727 1 3 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.479 1.232 18485 1728 1 3 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.244 0.421 18485 1729 1 3 . 1 1 87 87 VAL H H 87 7.934 7.934 8.257 -0.323 18485 1730 1 3 . 1 1 88 88 THR N N 88 112.971 112.971 113.522 -0.551 18485 1731 1 3 . 1 1 88 88 THR HA H 88 3.822 3.822 4.088 -0.266 18485 1732 1 3 . 1 1 88 88 THR C C 88 176.896 176.896 176.582 0.314 18485 1733 1 3 . 1 1 88 88 THR CA C 88 66.898 66.898 65.878 1.020 18485 1734 1 3 . 1 1 88 88 THR CB C 88 68.370 68.370 68.477 -0.107 18485 1735 1 3 . 1 1 88 88 THR H H 88 8.719 8.719 7.901 0.818 18485 1736 1 3 . 1 1 89 89 LYS N N 89 123.633 123.633 123.256 0.377 18485 1737 1 3 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.148 0.001 18485 1738 1 3 . 1 1 89 89 LYS C C 89 179.648 179.648 178.836 0.812 18485 1739 1 3 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.484 0.142 18485 1740 1 3 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.120 -0.032 18485 1741 1 3 . 1 1 89 89 LYS H H 89 7.568 7.568 8.128 -0.560 18485 1742 1 3 . 1 1 90 90 MET N N 90 118.147 118.147 119.258 -1.111 18485 1743 1 3 . 1 1 90 90 MET HA H 90 4.333 4.333 4.201 0.132 18485 1744 1 3 . 1 1 90 90 MET C C 90 179.634 179.634 179.163 0.471 18485 1745 1 3 . 1 1 90 90 MET CA C 90 58.590 58.590 59.149 -0.559 18485 1746 1 3 . 1 1 90 90 MET CB C 90 34.033 34.033 32.640 1.393 18485 1747 1 3 . 1 1 90 90 MET H H 90 8.520 8.520 8.457 0.063 18485 1748 1 3 . 1 1 91 91 LEU N N 91 124.789 124.789 121.556 3.233 18485 1749 1 3 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.924 0.276 18485 1750 1 3 . 1 1 91 91 LEU C C 91 179.696 179.696 178.499 1.197 18485 1751 1 3 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.743 0.338 18485 1752 1 3 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.878 -0.017 18485 1753 1 3 . 1 1 91 91 LEU H H 91 8.792 8.792 7.946 0.846 18485 1754 1 3 . 1 1 92 92 GLU N N 92 118.965 118.965 117.856 1.109 18485 1755 1 3 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.040 -0.023 18485 1756 1 3 . 1 1 92 92 GLU C C 92 178.352 178.352 178.702 -0.350 18485 1757 1 3 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.775 0.303 18485 1758 1 3 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.807 -0.116 18485 1759 1 3 . 1 1 92 92 GLU H H 92 7.999 7.999 7.827 0.172 18485 1760 1 3 . 1 1 93 93 SER N N 93 111.381 111.381 112.541 -1.160 18485 1761 1 3 . 1 1 93 93 SER HA H 93 4.406 4.406 4.387 0.019 18485 1762 1 3 . 1 1 93 93 SER C C 93 175.948 175.948 175.941 0.007 18485 1763 1 3 . 1 1 93 93 SER CA C 93 59.192 59.192 58.898 0.294 18485 1764 1 3 . 1 1 93 93 SER CB C 93 64.227 64.227 64.087 0.140 18485 1765 1 3 . 1 1 93 93 SER H H 93 8.270 8.270 8.305 -0.035 18485 1766 1 3 . 1 1 94 94 GLY N N 94 109.172 109.172 110.331 -1.159 18485 1767 1 3 . 1 1 94 94 GLY C C 94 174.906 174.906 175.599 -0.693 18485 1768 1 3 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.679 -0.297 18485 1769 1 3 . 1 1 94 94 GLY H H 94 7.406 7.406 7.876 -0.470 18485 1770 1 3 . 1 1 95 95 ASP N N 95 122.640 122.640 122.650 -0.010 18485 1771 1 3 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.447 0.032 18485 1772 1 3 . 1 1 95 95 ASP C C 95 178.486 178.486 177.767 0.719 18485 1773 1 3 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.701 -0.450 18485 1774 1 3 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.695 0.675 18485 1775 1 3 . 1 1 95 95 ASP H H 95 8.337 8.337 7.633 0.704 18485 1776 1 3 . 1 1 96 96 LEU N N 96 122.329 122.329 119.779 2.550 18485 1777 1 3 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.074 0.007 18485 1778 1 3 . 1 1 96 96 LEU C C 96 177.070 177.070 178.196 -1.126 18485 1779 1 3 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.209 -0.249 18485 1780 1 3 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.629 -0.727 18485 1781 1 3 . 1 1 96 96 LEU H H 96 7.992 7.992 8.168 -0.176 18485 1782 1 3 . 1 1 97 97 LYS N N 97 118.159 118.159 118.302 -0.143 18485 1783 1 3 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.897 0.024 18485 1784 1 3 . 1 1 97 97 LYS C C 97 178.245 178.245 178.935 -0.690 18485 1785 1 3 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.914 0.186 18485 1786 1 3 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.942 -0.014 18485 1787 1 3 . 1 1 97 97 LYS H H 97 8.254 8.254 8.301 -0.047 18485 1788 1 3 . 1 1 98 98 LYS N N 98 117.677 117.677 120.641 -2.964 18485 1789 1 3 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.069 -0.132 18485 1790 1 3 . 1 1 98 98 LYS C C 98 177.471 177.471 178.875 -1.404 18485 1791 1 3 . 1 1 98 98 LYS CA C 98 59.930 59.930 58.596 1.334 18485 1792 1 3 . 1 1 98 98 LYS CB C 98 32.740 32.740 31.904 0.836 18485 1793 1 3 . 1 1 98 98 LYS H H 98 7.388 7.388 7.825 -0.437 18485 1794 1 3 . 1 1 99 99 MET N N 99 119.426 119.426 119.249 0.177 18485 1795 1 3 . 1 1 99 99 MET HA H 99 4.138 4.138 4.153 -0.015 18485 1796 1 3 . 1 1 99 99 MET C C 99 178.018 178.018 178.512 -0.494 18485 1797 1 3 . 1 1 99 99 MET CA C 99 59.151 59.151 59.047 0.104 18485 1798 1 3 . 1 1 99 99 MET CB C 99 32.550 32.550 32.532 0.018 18485 1799 1 3 . 1 1 99 99 MET H H 99 7.934 7.934 8.062 -0.128 18485 1800 1 3 . 1 1 100 100 LEU N N 100 118.006 118.006 119.189 -1.183 18485 1801 1 3 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.883 -0.092 18485 1802 1 3 . 1 1 100 100 LEU C C 100 178.592 178.592 178.814 -0.222 18485 1803 1 3 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.143 0.459 18485 1804 1 3 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.358 -0.658 18485 1805 1 3 . 1 1 100 100 LEU H H 100 8.131 8.131 7.981 0.150 18485 1806 1 3 . 1 1 101 101 ARG N N 101 118.551 118.551 118.600 -0.049 18485 1807 1 3 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.958 0.168 18485 1808 1 3 . 1 1 101 101 ARG C C 101 181.117 181.117 178.511 2.606 18485 1809 1 3 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.984 0.292 18485 1810 1 3 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.595 0.197 18485 1811 1 3 . 1 1 101 101 ARG H H 101 8.045 8.045 7.802 0.243 18485 1812 1 3 . 1 1 102 102 ASP N N 102 122.544 122.544 120.461 2.083 18485 1813 1 3 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.506 -0.101 18485 1814 1 3 . 1 1 102 102 ASP C C 102 178.405 178.405 178.197 0.208 18485 1815 1 3 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.516 0.786 18485 1816 1 3 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.899 -0.586 18485 1817 1 3 . 1 1 102 102 ASP H H 102 8.828 8.828 8.212 0.616 18485 1818 1 3 . 1 1 103 103 LYS N N 103 116.177 116.177 116.945 -0.768 18485 1819 1 3 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.449 -0.053 18485 1820 1 3 . 1 1 103 103 LYS C C 103 176.282 176.282 176.625 -0.343 18485 1821 1 3 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.001 0.323 18485 1822 1 3 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.909 -0.194 18485 1823 1 3 . 1 1 103 103 LYS H H 103 7.847 7.847 8.032 -0.185 18485 1824 1 3 . 1 1 104 104 GLY N N 104 108.597 108.597 107.275 1.322 18485 1825 1 3 . 1 1 104 104 GLY C C 104 174.450 174.450 174.593 -0.143 18485 1826 1 3 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.294 1.029 18485 1827 1 3 . 1 1 104 104 GLY H H 104 7.930 7.930 7.600 0.330 18485 1828 1 3 . 1 1 105 105 ILE N N 105 123.232 123.232 120.496 2.736 18485 1829 1 3 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.270 -0.161 18485 1830 1 3 . 1 1 105 105 ILE C C 105 175.374 175.374 176.350 -0.976 18485 1831 1 3 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.526 0.117 18485 1832 1 3 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.662 -0.974 18485 1833 1 3 . 1 1 105 105 ILE H H 105 8.323 8.323 8.073 0.250 18485 1834 1 3 . 1 1 106 106 THR N N 106 123.522 123.522 123.070 0.452 18485 1835 1 3 . 1 1 106 106 THR HA H 106 4.155 4.155 4.211 -0.056 18485 1836 1 3 . 1 1 106 106 THR C C 106 173.223 173.223 173.283 -0.060 18485 1837 1 3 . 1 1 106 106 THR CA C 106 63.189 63.189 63.577 -0.388 18485 1838 1 3 . 1 1 106 106 THR CB C 106 69.242 69.242 68.245 0.997 18485 1839 1 3 . 1 1 106 106 THR H H 106 8.521 8.521 8.677 -0.156 18485 1840 1 3 . 1 1 107 107 CYS N N 107 120.688 120.688 123.028 -2.340 18485 1841 1 3 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.444 -0.577 18485 1842 1 3 . 1 1 107 107 CYS C C 107 173.798 173.798 173.621 0.177 18485 1843 1 3 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.337 0.214 18485 1844 1 3 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.232 -0.770 18485 1845 1 3 . 1 1 107 107 CYS H H 107 8.247 8.247 8.058 0.189 18485 1846 1 3 . 1 1 108 108 ARG N N 108 122.349 122.349 121.151 1.198 18485 1847 1 3 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.317 -0.026 18485 1848 1 3 . 1 1 108 108 ARG C C 108 175.547 175.547 176.155 -0.608 18485 1849 1 3 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.392 -0.092 18485 1850 1 3 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.830 0.446 18485 1851 1 3 . 1 1 108 108 ARG H H 108 8.512 8.512 8.493 0.019 18485 1852 1 3 . 1 1 109 109 ASP N N 109 121.453 121.453 121.108 0.345 18485 1853 1 3 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.426 0.199 18485 1854 1 3 . 1 1 109 109 ASP C C 109 174.973 174.973 176.485 -1.512 18485 1855 1 3 . 1 1 109 109 ASP CA C 109 54.239 54.239 54.900 -0.661 18485 1856 1 3 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.817 0.139 18485 1857 1 3 . 1 1 109 109 ASP H H 109 8.399 8.399 8.401 -0.002 18485 1858 1 4 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.794 -0.382 18485 1859 1 4 . 1 1 2 2 ALA C C 2 177.283 177.283 175.891 1.392 18485 1860 1 4 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.593 0.691 18485 1861 1 4 . 1 1 2 2 ALA CB C 2 19.504 19.504 21.911 -2.407 18485 1862 1 4 . 1 1 3 3 MET N N 3 121.052 121.052 122.170 -1.118 18485 1863 1 4 . 1 1 3 3 MET HA H 3 4.458 4.458 4.730 -0.272 18485 1864 1 4 . 1 1 3 3 MET C C 3 175.185 175.185 175.752 -0.567 18485 1865 1 4 . 1 1 3 3 MET CA C 3 56.001 56.001 54.969 1.032 18485 1866 1 4 . 1 1 3 3 MET CB C 3 34.282 34.282 34.112 0.170 18485 1867 1 4 . 1 1 3 3 MET H H 3 8.313 8.313 8.222 0.091 18485 1868 1 4 . 1 1 4 4 VAL N N 4 116.976 116.976 119.618 -2.642 18485 1869 1 4 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.670 -0.028 18485 1870 1 4 . 1 1 4 4 VAL C C 4 176.976 176.976 176.623 0.353 18485 1871 1 4 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.494 0.258 18485 1872 1 4 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.163 0.715 18485 1873 1 4 . 1 1 4 4 VAL H H 4 8.432 8.432 8.740 -0.308 18485 1874 1 4 . 1 1 5 5 LYS N N 5 123.795 123.795 124.061 -0.266 18485 1875 1 4 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.035 -0.449 18485 1876 1 4 . 1 1 5 5 LYS C C 5 178.205 178.205 178.250 -0.045 18485 1877 1 4 . 1 1 5 5 LYS CA C 5 61.062 61.062 60.070 0.992 18485 1878 1 4 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.124 0.099 18485 1879 1 4 . 1 1 5 5 LYS H H 5 8.725 8.725 8.768 -0.043 18485 1880 1 4 . 1 1 6 6 LYS N N 6 117.559 117.559 118.471 -0.912 18485 1881 1 4 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.079 -0.005 18485 1882 1 4 . 1 1 6 6 LYS C C 6 176.976 176.976 178.178 -1.202 18485 1883 1 4 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.401 -0.382 18485 1884 1 4 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.022 0.636 18485 1885 1 4 . 1 1 6 6 LYS H H 6 8.395 8.395 8.377 0.018 18485 1886 1 4 . 1 1 7 7 ASP N N 7 116.710 116.710 119.869 -3.159 18485 1887 1 4 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.400 -0.036 18485 1888 1 4 . 1 1 7 7 ASP C C 7 179.180 179.180 178.580 0.600 18485 1889 1 4 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.593 -0.183 18485 1890 1 4 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.442 0.433 18485 1891 1 4 . 1 1 7 7 ASP H H 7 7.415 7.415 8.090 -0.675 18485 1892 1 4 . 1 1 8 8 ILE N N 8 120.990 120.990 119.903 1.087 18485 1893 1 4 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.561 -0.284 18485 1894 1 4 . 1 1 8 8 ILE C C 8 177.537 177.537 177.660 -0.123 18485 1895 1 4 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.667 -0.107 18485 1896 1 4 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.344 -0.275 18485 1897 1 4 . 1 1 8 8 ILE H H 8 7.302 7.302 7.287 0.015 18485 1898 1 4 . 1 1 9 9 ASP N N 9 120.214 120.214 120.879 -0.665 18485 1899 1 4 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.447 -0.240 18485 1900 1 4 . 1 1 9 9 ASP C C 9 178.564 178.564 178.516 0.048 18485 1901 1 4 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.475 0.533 18485 1902 1 4 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.070 0.812 18485 1903 1 4 . 1 1 9 9 ASP H H 9 7.884 7.884 8.230 -0.346 18485 1904 1 4 . 1 1 10 10 ASP N N 10 117.314 117.314 118.867 -1.553 18485 1905 1 4 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.528 -0.204 18485 1906 1 4 . 1 1 10 10 ASP C C 10 179.340 179.340 178.617 0.723 18485 1907 1 4 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.099 0.087 18485 1908 1 4 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.474 -0.562 18485 1909 1 4 . 1 1 10 10 ASP H H 10 8.856 8.856 8.519 0.337 18485 1910 1 4 . 1 1 11 11 THR N N 11 119.032 119.032 117.628 1.404 18485 1911 1 4 . 1 1 11 11 THR HA H 11 4.061 4.061 4.049 0.012 18485 1912 1 4 . 1 1 11 11 THR C C 11 175.574 175.574 176.194 -0.620 18485 1913 1 4 . 1 1 11 11 THR CA C 11 67.210 67.210 67.221 -0.011 18485 1914 1 4 . 1 1 11 11 THR CB C 11 68.319 68.319 68.679 -0.360 18485 1915 1 4 . 1 1 11 11 THR H H 11 7.670 7.670 7.691 -0.021 18485 1916 1 4 . 1 1 12 12 ILE N N 12 122.228 122.228 120.986 1.242 18485 1917 1 4 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.634 0.005 18485 1918 1 4 . 1 1 12 12 ILE C C 12 177.455 177.455 177.167 0.288 18485 1919 1 4 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.932 -0.023 18485 1920 1 4 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.706 -0.128 18485 1921 1 4 . 1 1 12 12 ILE H H 12 8.303 8.303 8.430 -0.127 18485 1922 1 4 . 1 1 13 13 LYS N N 13 114.462 114.462 117.684 -3.222 18485 1923 1 4 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.152 -0.018 18485 1924 1 4 . 1 1 13 13 LYS C C 13 177.547 177.547 178.203 -0.656 18485 1925 1 4 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.878 -0.478 18485 1926 1 4 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.526 0.480 18485 1927 1 4 . 1 1 13 13 LYS H H 13 7.709 7.709 7.439 0.270 18485 1928 1 4 . 1 1 14 14 SER N N 14 112.642 112.642 113.855 -1.213 18485 1929 1 4 . 1 1 14 14 SER HA H 14 4.551 4.551 4.422 0.129 18485 1930 1 4 . 1 1 14 14 SER C C 14 174.532 174.532 174.635 -0.103 18485 1931 1 4 . 1 1 14 14 SER CA C 14 59.744 59.744 60.171 -0.427 18485 1932 1 4 . 1 1 14 14 SER CB C 14 65.009 65.009 63.954 1.055 18485 1933 1 4 . 1 1 14 14 SER H H 14 7.749 7.749 7.858 -0.109 18485 1934 1 4 . 1 1 15 15 GLU N N 15 121.266 121.266 121.042 0.224 18485 1935 1 4 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.440 0.124 18485 1936 1 4 . 1 1 15 15 GLU C C 15 176.789 176.789 176.088 0.701 18485 1937 1 4 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.779 -1.333 18485 1938 1 4 . 1 1 15 15 GLU CB C 15 30.326 30.326 31.050 -0.724 18485 1939 1 4 . 1 1 15 15 GLU H H 15 8.101 8.101 8.075 0.026 18485 1940 1 4 . 1 1 16 16 ASP N N 16 122.253 122.253 119.995 2.258 18485 1941 1 4 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.829 -0.489 18485 1942 1 4 . 1 1 16 16 ASP C C 16 176.469 176.469 175.678 0.791 18485 1943 1 4 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.070 2.689 18485 1944 1 4 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.657 -1.839 18485 1945 1 4 . 1 1 16 16 ASP H H 16 8.685 8.685 8.870 -0.185 18485 1946 1 4 . 1 1 17 17 VAL N N 17 118.536 118.536 119.561 -1.025 18485 1947 1 4 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.857 0.058 18485 1948 1 4 . 1 1 17 17 VAL C C 17 174.452 174.452 174.231 0.221 18485 1949 1 4 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.332 0.571 18485 1950 1 4 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.614 -0.237 18485 1951 1 4 . 1 1 17 17 VAL H H 17 8.547 8.547 7.898 0.649 18485 1952 1 4 . 1 1 18 18 VAL N N 18 125.917 125.917 127.042 -1.125 18485 1953 1 4 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.249 0.006 18485 1954 1 4 . 1 1 18 18 VAL C C 18 174.158 174.158 174.544 -0.386 18485 1955 1 4 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.304 -0.202 18485 1956 1 4 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.322 -0.267 18485 1957 1 4 . 1 1 18 18 VAL H H 18 8.755 8.755 9.211 -0.456 18485 1958 1 4 . 1 1 19 19 THR N N 19 120.107 120.107 118.870 1.237 18485 1959 1 4 . 1 1 19 19 THR HA H 19 5.795 5.795 5.255 0.540 18485 1960 1 4 . 1 1 19 19 THR C C 19 171.126 171.126 172.727 -1.601 18485 1961 1 4 . 1 1 19 19 THR CA C 19 58.118 58.118 60.179 -2.061 18485 1962 1 4 . 1 1 19 19 THR CB C 19 72.547 72.547 71.398 1.149 18485 1963 1 4 . 1 1 19 19 THR H H 19 8.938 8.938 8.839 0.099 18485 1964 1 4 . 1 1 20 20 PHE N N 20 125.287 125.287 126.110 -0.823 18485 1965 1 4 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.397 0.107 18485 1966 1 4 . 1 1 20 20 PHE C C 20 175.200 175.200 175.297 -0.097 18485 1967 1 4 . 1 1 20 20 PHE CA C 20 56.498 56.498 57.145 -0.647 18485 1968 1 4 . 1 1 20 20 PHE CB C 20 41.661 41.661 40.517 1.144 18485 1969 1 4 . 1 1 20 20 PHE H H 20 8.230 8.230 8.816 -0.586 18485 1970 1 4 . 1 1 21 21 ILE N N 21 114.660 114.660 118.106 -3.446 18485 1971 1 4 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.845 -0.033 18485 1972 1 4 . 1 1 21 21 ILE C C 21 173.918 173.918 174.232 -0.314 18485 1973 1 4 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.311 0.052 18485 1974 1 4 . 1 1 21 21 ILE CB C 21 43.820 43.820 41.995 1.825 18485 1975 1 4 . 1 1 21 21 ILE H H 21 9.042 9.042 9.427 -0.385 18485 1976 1 4 . 1 1 22 22 LYS N N 22 117.197 117.197 122.820 -5.623 18485 1977 1 4 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.864 -0.261 18485 1978 1 4 . 1 1 22 22 LYS C C 22 175.935 175.935 176.262 -0.327 18485 1979 1 4 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.695 1.003 18485 1980 1 4 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.805 1.388 18485 1981 1 4 . 1 1 22 22 LYS H H 22 8.581 8.581 8.299 0.282 18485 1982 1 4 . 1 1 23 23 GLY N N 23 117.108 117.108 109.250 7.858 18485 1983 1 4 . 1 1 23 23 GLY C C 23 170.793 170.793 172.505 -1.712 18485 1984 1 4 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.835 -0.198 18485 1985 1 4 . 1 1 23 23 GLY H H 23 9.178 9.178 8.304 0.874 18485 1986 1 4 . 1 1 24 24 LEU N N 24 117.859 117.859 121.112 -3.253 18485 1987 1 4 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.677 0.183 18485 1988 1 4 . 1 1 24 24 LEU C C 24 176.709 176.709 176.036 0.673 18485 1989 1 4 . 1 1 24 24 LEU CA C 24 51.950 51.950 52.950 -1.000 18485 1990 1 4 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.467 1.541 18485 1991 1 4 . 1 1 24 24 LEU H H 24 7.162 7.162 8.184 -1.022 18485 1992 1 4 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.487 -0.534 18485 1993 1 4 . 1 1 25 25 PRO C C 25 177.190 177.190 177.694 -0.504 18485 1994 1 4 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.775 1.547 18485 1995 1 4 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.192 -0.468 18485 1996 1 4 . 1 1 26 26 GLU N N 26 111.260 111.260 118.417 -7.157 18485 1997 1 4 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.282 -0.077 18485 1998 1 4 . 1 1 26 26 GLU C C 26 176.429 176.429 176.557 -0.128 18485 1999 1 4 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.066 -0.323 18485 2000 1 4 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.531 -0.833 18485 2001 1 4 . 1 1 26 26 GLU H H 26 8.807 8.807 8.435 0.372 18485 2002 1 4 . 1 1 27 27 ALA N N 27 122.547 122.547 123.456 -0.909 18485 2003 1 4 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.629 -0.042 18485 2004 1 4 . 1 1 27 27 ALA C C 27 172.342 172.342 175.032 -2.690 18485 2005 1 4 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.089 0.795 18485 2006 1 4 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.767 -0.072 18485 2007 1 4 . 1 1 27 27 ALA H H 27 7.856 7.856 7.807 0.049 18485 2008 1 4 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.600 0.042 18485 2009 1 4 . 1 1 28 28 PRO C C 28 178.512 178.512 176.346 2.166 18485 2010 1 4 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.898 0.208 18485 2011 1 4 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.545 -0.480 18485 2012 1 4 . 1 1 29 29 MET N N 29 119.426 119.426 118.551 0.875 18485 2013 1 4 . 1 1 29 29 MET HA H 29 4.758 4.758 4.558 0.200 18485 2014 1 4 . 1 1 29 29 MET C C 29 175.374 175.374 175.822 -0.448 18485 2015 1 4 . 1 1 29 29 MET CA C 29 54.594 54.594 55.934 -1.340 18485 2016 1 4 . 1 1 29 29 MET CB C 29 33.036 33.036 32.945 0.091 18485 2017 1 4 . 1 1 29 29 MET H H 29 8.828 8.828 8.552 0.276 18485 2018 1 4 . 1 1 30 30 CYS N N 30 116.089 116.089 117.532 -1.443 18485 2019 1 4 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.640 0.212 18485 2020 1 4 . 1 1 30 30 CYS C C 30 176.028 176.028 173.981 2.047 18485 2021 1 4 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.869 0.856 18485 2022 1 4 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.573 1.686 18485 2023 1 4 . 1 1 30 30 CYS H H 30 7.455 7.455 7.564 -0.109 18485 2024 1 4 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.119 -0.039 18485 2025 1 4 . 1 1 31 31 ALA C C 31 180.222 180.222 178.430 1.792 18485 2026 1 4 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.692 0.002 18485 2027 1 4 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.638 0.043 18485 2028 1 4 . 1 1 32 32 TYR N N 32 121.972 121.972 116.820 5.152 18485 2029 1 4 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.239 0.094 18485 2030 1 4 . 1 1 32 32 TYR C C 32 178.673 178.673 178.245 0.428 18485 2031 1 4 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.785 -0.856 18485 2032 1 4 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.509 -0.472 18485 2033 1 4 . 1 1 32 32 TYR H H 32 8.846 8.846 8.144 0.702 18485 2034 1 4 . 1 1 33 33 SER N N 33 125.375 125.375 116.274 9.101 18485 2035 1 4 . 1 1 33 33 SER HA H 33 4.013 4.013 4.067 -0.054 18485 2036 1 4 . 1 1 33 33 SER C C 33 174.906 174.906 176.197 -1.291 18485 2037 1 4 . 1 1 33 33 SER CA C 33 64.417 64.417 62.009 2.408 18485 2038 1 4 . 1 1 33 33 SER CB C 33 62.687 62.687 62.782 -0.095 18485 2039 1 4 . 1 1 33 33 SER H H 33 10.272 10.272 7.756 2.516 18485 2040 1 4 . 1 1 34 34 LYS N N 34 121.216 121.216 121.927 -0.711 18485 2041 1 4 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.991 -0.138 18485 2042 1 4 . 1 1 34 34 LYS C C 34 177.083 177.083 178.808 -1.725 18485 2043 1 4 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.050 0.613 18485 2044 1 4 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.219 -0.069 18485 2045 1 4 . 1 1 34 34 LYS H H 34 8.024 8.024 7.537 0.487 18485 2046 1 4 . 1 1 35 35 ARG N N 35 117.269 117.269 118.803 -1.534 18485 2047 1 4 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.104 0.045 18485 2048 1 4 . 1 1 35 35 ARG C C 35 178.058 178.058 179.041 -0.983 18485 2049 1 4 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.219 0.757 18485 2050 1 4 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.734 -0.022 18485 2051 1 4 . 1 1 35 35 ARG H H 35 7.559 7.559 7.926 -0.367 18485 2052 1 4 . 1 1 36 36 MET N N 36 117.954 117.954 119.982 -2.028 18485 2053 1 4 . 1 1 36 36 MET HA H 36 4.068 4.068 4.166 -0.098 18485 2054 1 4 . 1 1 36 36 MET C C 36 176.963 176.963 177.914 -0.951 18485 2055 1 4 . 1 1 36 36 MET CA C 36 58.195 58.195 58.057 0.138 18485 2056 1 4 . 1 1 36 36 MET CB C 36 31.742 31.742 32.461 -0.719 18485 2057 1 4 . 1 1 36 36 MET H H 36 8.027 8.027 8.109 -0.082 18485 2058 1 4 . 1 1 37 37 ILE N N 37 118.650 118.650 119.079 -0.429 18485 2059 1 4 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.484 0.036 18485 2060 1 4 . 1 1 37 37 ILE C C 37 177.631 177.631 178.057 -0.426 18485 2061 1 4 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.635 -1.762 18485 2062 1 4 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.426 -1.254 18485 2063 1 4 . 1 1 37 37 ILE H H 37 7.825 7.825 8.028 -0.203 18485 2064 1 4 . 1 1 38 38 ASP N N 38 119.229 119.229 120.062 -0.833 18485 2065 1 4 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.375 -0.045 18485 2066 1 4 . 1 1 38 38 ASP C C 38 180.208 180.208 178.858 1.350 18485 2067 1 4 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.754 -0.224 18485 2068 1 4 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.831 -0.861 18485 2069 1 4 . 1 1 38 38 ASP H H 38 8.629 8.629 8.225 0.404 18485 2070 1 4 . 1 1 39 39 VAL N N 39 121.475 121.475 120.032 1.443 18485 2071 1 4 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.635 -0.060 18485 2072 1 4 . 1 1 39 39 VAL C C 39 177.056 177.056 177.681 -0.625 18485 2073 1 4 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.851 0.959 18485 2074 1 4 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.887 -0.392 18485 2075 1 4 . 1 1 39 39 VAL H H 39 7.879 7.879 7.303 0.576 18485 2076 1 4 . 1 1 40 40 LEU N N 40 118.145 118.145 119.360 -1.215 18485 2077 1 4 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.854 -0.080 18485 2078 1 4 . 1 1 40 40 LEU C C 40 179.794 179.794 179.014 0.780 18485 2079 1 4 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.978 0.186 18485 2080 1 4 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.069 -0.472 18485 2081 1 4 . 1 1 40 40 LEU H H 40 7.574 7.574 7.244 0.330 18485 2082 1 4 . 1 1 41 41 GLU N N 41 116.305 116.305 118.134 -1.829 18485 2083 1 4 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.272 0.025 18485 2084 1 4 . 1 1 41 41 GLU C C 41 181.117 181.117 178.976 2.141 18485 2085 1 4 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.246 0.306 18485 2086 1 4 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.566 -0.445 18485 2087 1 4 . 1 1 41 41 GLU H H 41 8.871 8.871 8.649 0.222 18485 2088 1 4 . 1 1 42 42 ALA N N 42 124.797 124.797 121.559 3.238 18485 2089 1 4 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.288 -0.123 18485 2090 1 4 . 1 1 42 42 ALA C C 42 180.275 180.275 178.790 1.485 18485 2091 1 4 . 1 1 42 42 ALA CA C 42 54.980 54.980 53.926 1.054 18485 2092 1 4 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.868 -1.209 18485 2093 1 4 . 1 1 42 42 ALA H H 42 8.285 8.285 7.823 0.462 18485 2094 1 4 . 1 1 43 43 LEU N N 43 115.767 115.767 116.195 -0.428 18485 2095 1 4 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.429 -0.180 18485 2096 1 4 . 1 1 43 43 LEU C C 43 177.177 177.177 176.779 0.398 18485 2097 1 4 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.394 1.012 18485 2098 1 4 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.462 1.021 18485 2099 1 4 . 1 1 43 43 LEU H H 43 7.528 7.528 7.553 -0.025 18485 2100 1 4 . 1 1 44 44 GLY N N 44 108.593 108.593 106.910 1.683 18485 2101 1 4 . 1 1 44 44 GLY C C 44 175.011 175.011 174.800 0.211 18485 2102 1 4 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.300 1.041 18485 2103 1 4 . 1 1 44 44 GLY H H 44 7.927 7.927 7.334 0.593 18485 2104 1 4 . 1 1 45 45 LEU N N 45 117.269 117.269 117.603 -0.334 18485 2105 1 4 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.800 -0.348 18485 2106 1 4 . 1 1 45 45 LEU C C 45 176.976 176.976 176.890 0.086 18485 2107 1 4 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.718 0.682 18485 2108 1 4 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.955 -0.239 18485 2109 1 4 . 1 1 45 45 LEU H H 45 7.482 7.482 7.920 -0.438 18485 2110 1 4 . 1 1 46 46 GLU N N 46 121.177 121.177 121.339 -0.162 18485 2111 1 4 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.477 -0.014 18485 2112 1 4 . 1 1 46 46 GLU C C 46 176.135 176.135 175.162 0.973 18485 2113 1 4 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.490 0.034 18485 2114 1 4 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.543 -0.310 18485 2115 1 4 . 1 1 46 46 GLU H H 46 8.250 8.250 8.771 -0.521 18485 2116 1 4 . 1 1 47 47 TYR N N 47 119.617 119.617 120.634 -1.017 18485 2117 1 4 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.272 0.026 18485 2118 1 4 . 1 1 47 47 TYR C C 47 173.798 173.798 174.815 -1.017 18485 2119 1 4 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.369 0.455 18485 2120 1 4 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.207 0.864 18485 2121 1 4 . 1 1 47 47 TYR H H 47 7.874 7.874 7.873 0.001 18485 2122 1 4 . 1 1 48 48 THR N N 48 117.577 117.577 117.792 -0.215 18485 2123 1 4 . 1 1 48 48 THR HA H 48 4.266 4.266 4.415 -0.149 18485 2124 1 4 . 1 1 48 48 THR C C 48 171.941 171.941 173.001 -1.060 18485 2125 1 4 . 1 1 48 48 THR CA C 48 62.299 62.299 61.791 0.508 18485 2126 1 4 . 1 1 48 48 THR CB C 48 70.899 70.899 70.769 0.131 18485 2127 1 4 . 1 1 48 48 THR H H 48 8.549 8.549 8.534 0.015 18485 2128 1 4 . 1 1 49 49 SER N N 49 121.488 121.488 121.621 -0.133 18485 2129 1 4 . 1 1 49 49 SER HA H 49 5.516 5.516 5.011 0.505 18485 2130 1 4 . 1 1 49 49 SER C C 49 173.691 173.691 173.445 0.246 18485 2131 1 4 . 1 1 49 49 SER CA C 49 55.758 55.758 57.114 -1.356 18485 2132 1 4 . 1 1 49 49 SER CB C 49 66.386 66.386 64.327 2.059 18485 2133 1 4 . 1 1 49 49 SER H H 49 8.536 8.536 8.503 0.033 18485 2134 1 4 . 1 1 50 50 PHE N N 50 124.791 124.791 124.531 0.260 18485 2135 1 4 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.604 0.111 18485 2136 1 4 . 1 1 50 50 PHE C C 50 173.608 173.608 174.053 -0.445 18485 2137 1 4 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.218 0.121 18485 2138 1 4 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.377 1.151 18485 2139 1 4 . 1 1 50 50 PHE H H 50 8.627 8.627 9.005 -0.378 18485 2140 1 4 . 1 1 51 51 ASP N N 51 120.606 120.606 124.025 -3.419 18485 2141 1 4 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.299 0.071 18485 2142 1 4 . 1 1 51 51 ASP C C 51 178.779 178.779 178.077 0.702 18485 2143 1 4 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.213 0.021 18485 2144 1 4 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.818 0.357 18485 2145 1 4 . 1 1 51 51 ASP H H 51 8.415 8.415 8.830 -0.415 18485 2146 1 4 . 1 1 52 52 VAL N N 52 119.623 119.623 123.358 -3.735 18485 2147 1 4 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.060 0.046 18485 2148 1 4 . 1 1 52 52 VAL C C 52 176.682 176.682 175.769 0.913 18485 2149 1 4 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.573 -1.246 18485 2150 1 4 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.561 0.213 18485 2151 1 4 . 1 1 52 52 VAL H H 52 9.307 9.307 8.931 0.376 18485 2152 1 4 . 1 1 53 53 LEU N N 53 118.392 118.392 119.083 -0.691 18485 2153 1 4 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.366 -0.108 18485 2154 1 4 . 1 1 53 53 LEU C C 53 179.153 179.153 177.851 1.302 18485 2155 1 4 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.817 -0.054 18485 2156 1 4 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.575 -0.540 18485 2157 1 4 . 1 1 53 53 LEU H H 53 9.008 9.008 8.462 0.546 18485 2158 1 4 . 1 1 54 54 ALA N N 54 119.577 119.577 121.862 -2.285 18485 2159 1 4 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.254 -0.014 18485 2160 1 4 . 1 1 54 54 ALA C C 54 177.657 177.657 177.377 0.280 18485 2161 1 4 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.149 0.239 18485 2162 1 4 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.365 -0.246 18485 2163 1 4 . 1 1 54 54 ALA H H 54 7.304 7.304 7.434 -0.130 18485 2164 1 4 . 1 1 55 55 HIS N N 55 114.383 114.383 116.077 -1.694 18485 2165 1 4 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.845 0.279 18485 2166 1 4 . 1 1 55 55 HIS C C 55 174.238 174.238 173.376 0.862 18485 2167 1 4 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.702 -0.608 18485 2168 1 4 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.685 1.104 18485 2169 1 4 . 1 1 55 55 HIS H H 55 6.894 6.894 7.975 -1.081 18485 2170 1 4 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.347 -0.021 18485 2171 1 4 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.203 0.059 18485 2172 1 4 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.596 -0.555 18485 2173 1 4 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.758 0.229 18485 2174 1 4 . 1 1 57 57 VAL C C 57 177.804 177.804 178.580 -0.776 18485 2175 1 4 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.409 -1.082 18485 2176 1 4 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.128 0.093 18485 2177 1 4 . 1 1 57 57 VAL H H 57 9.778 9.778 7.927 1.851 18485 2178 1 4 . 1 1 58 58 VAL N N 58 120.641 120.641 119.056 1.585 18485 2179 1 4 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.682 -0.150 18485 2180 1 4 . 1 1 58 58 VAL C C 58 177.270 177.270 177.484 -0.214 18485 2181 1 4 . 1 1 58 58 VAL CA C 58 65.910 65.910 67.326 -1.416 18485 2182 1 4 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.595 -0.172 18485 2183 1 4 . 1 1 58 58 VAL H H 58 7.540 7.540 7.974 -0.434 18485 2184 1 4 . 1 1 59 59 ARG N N 59 118.263 118.263 119.382 -1.119 18485 2185 1 4 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.030 -0.116 18485 2186 1 4 . 1 1 59 59 ARG C C 59 178.579 178.579 178.634 -0.055 18485 2187 1 4 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.649 0.330 18485 2188 1 4 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.469 0.483 18485 2189 1 4 . 1 1 59 59 ARG H H 59 7.536 7.536 7.622 -0.086 18485 2190 1 4 . 1 1 60 60 SER N N 60 113.091 113.091 117.157 -4.066 18485 2191 1 4 . 1 1 60 60 SER HA H 60 4.161 4.161 4.184 -0.023 18485 2192 1 4 . 1 1 60 60 SER C C 60 175.761 175.761 176.329 -0.568 18485 2193 1 4 . 1 1 60 60 SER CA C 60 61.435 61.435 61.337 0.099 18485 2194 1 4 . 1 1 60 60 SER CB C 60 62.721 62.721 63.122 -0.401 18485 2195 1 4 . 1 1 60 60 SER H H 60 8.204 8.204 8.753 -0.549 18485 2196 1 4 . 1 1 61 61 TYR N N 61 123.436 123.436 123.956 -0.520 18485 2197 1 4 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.097 -0.215 18485 2198 1 4 . 1 1 61 61 TYR C C 61 177.731 177.731 176.836 0.895 18485 2199 1 4 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.005 0.023 18485 2200 1 4 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.199 0.956 18485 2201 1 4 . 1 1 61 61 TYR H H 61 8.024 8.024 7.709 0.315 18485 2202 1 4 . 1 1 62 62 VAL N N 62 115.253 115.253 118.911 -3.658 18485 2203 1 4 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.314 0.215 18485 2204 1 4 . 1 1 62 62 VAL C C 62 176.990 176.990 177.723 -0.733 18485 2205 1 4 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.557 -1.333 18485 2206 1 4 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.161 0.275 18485 2207 1 4 . 1 1 62 62 VAL H H 62 7.754 7.754 7.646 0.108 18485 2208 1 4 . 1 1 63 63 LYS N N 63 117.543 117.543 119.696 -2.153 18485 2209 1 4 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.897 0.132 18485 2210 1 4 . 1 1 63 63 LYS C C 63 177.549 177.549 178.722 -1.173 18485 2211 1 4 . 1 1 63 63 LYS CA C 63 58.327 58.327 59.093 -0.766 18485 2212 1 4 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.045 0.716 18485 2213 1 4 . 1 1 63 63 LYS H H 63 7.367 7.367 7.867 -0.500 18485 2214 1 4 . 1 1 64 64 GLU N N 64 116.093 116.093 117.478 -1.385 18485 2215 1 4 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.122 -0.008 18485 2216 1 4 . 1 1 64 64 GLU C C 64 177.547 177.547 178.680 -1.133 18485 2217 1 4 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.585 -1.080 18485 2218 1 4 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.279 0.098 18485 2219 1 4 . 1 1 64 64 GLU H H 64 7.701 7.701 7.716 -0.015 18485 2220 1 4 . 1 1 65 65 VAL N N 65 116.739 116.739 116.424 0.315 18485 2221 1 4 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.967 -0.132 18485 2222 1 4 . 1 1 65 65 VAL C C 65 176.335 176.335 176.976 -0.641 18485 2223 1 4 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.904 -0.408 18485 2224 1 4 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.603 -0.360 18485 2225 1 4 . 1 1 65 65 VAL H H 65 7.608 7.608 7.812 -0.204 18485 2226 1 4 . 1 1 66 66 SER N N 66 114.353 114.353 113.918 0.435 18485 2227 1 4 . 1 1 66 66 SER HA H 66 4.230 4.230 4.315 -0.085 18485 2228 1 4 . 1 1 66 66 SER C C 66 174.345 174.345 175.366 -1.021 18485 2229 1 4 . 1 1 66 66 SER CA C 66 58.038 58.038 59.056 -1.018 18485 2230 1 4 . 1 1 66 66 SER CB C 66 63.898 63.898 64.051 -0.153 18485 2231 1 4 . 1 1 66 66 SER H H 66 7.526 7.526 7.577 -0.051 18485 2232 1 4 . 1 1 67 67 GLU N N 67 121.681 121.681 114.946 6.735 18485 2233 1 4 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.025 -0.160 18485 2234 1 4 . 1 1 67 67 GLU C C 67 175.748 175.748 175.528 0.220 18485 2235 1 4 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.698 0.147 18485 2236 1 4 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.768 1.612 18485 2237 1 4 . 1 1 67 67 GLU H H 67 7.966 7.966 8.069 -0.103 18485 2238 1 4 . 1 1 68 68 TRP N N 68 119.264 119.264 121.630 -2.366 18485 2239 1 4 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.703 0.232 18485 2240 1 4 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.002 -1.146 18485 2241 1 4 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.974 0.743 18485 2242 1 4 . 1 1 68 68 TRP H H 68 7.633 7.633 7.354 0.279 18485 2243 1 4 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.284 0.158 18485 2244 1 4 . 1 1 69 69 PRO C C 69 176.375 176.375 176.173 0.202 18485 2245 1 4 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.007 -0.440 18485 2246 1 4 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.617 -0.104 18485 2247 1 4 . 1 1 70 70 THR N N 70 114.312 114.312 115.801 -1.489 18485 2248 1 4 . 1 1 70 70 THR HA H 70 4.344 4.344 4.265 0.079 18485 2249 1 4 . 1 1 70 70 THR C C 70 172.275 172.275 173.935 -1.660 18485 2250 1 4 . 1 1 70 70 THR CA C 70 61.465 61.465 63.136 -1.671 18485 2251 1 4 . 1 1 70 70 THR CB C 70 70.433 70.433 69.532 0.901 18485 2252 1 4 . 1 1 70 70 THR H H 70 7.162 7.162 7.515 -0.353 18485 2253 1 4 . 1 1 71 71 ILE N N 71 123.770 123.770 124.014 -0.244 18485 2254 1 4 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.528 -0.026 18485 2255 1 4 . 1 1 71 71 ILE C C 71 175.106 175.106 174.550 0.556 18485 2256 1 4 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.906 -2.151 18485 2257 1 4 . 1 1 71 71 ILE CB C 71 40.077 40.077 40.663 -0.586 18485 2258 1 4 . 1 1 71 71 ILE H H 71 8.398 8.398 8.188 0.210 18485 2259 1 4 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.862 0.696 18485 2260 1 4 . 1 1 72 72 PRO C C 72 175.507 175.507 175.773 -0.266 18485 2261 1 4 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.773 -0.334 18485 2262 1 4 . 1 1 72 72 PRO CB C 72 37.656 37.656 32.747 4.909 18485 2263 1 4 . 1 1 73 73 GLN N N 73 112.013 112.013 117.143 -5.130 18485 2264 1 4 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.424 -0.332 18485 2265 1 4 . 1 1 73 73 GLN C C 73 174.559 174.559 174.822 -0.263 18485 2266 1 4 . 1 1 73 73 GLN CA C 73 55.529 55.529 55.035 0.493 18485 2267 1 4 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.776 0.664 18485 2268 1 4 . 1 1 73 73 GLN H H 73 8.521 8.521 8.745 -0.224 18485 2269 1 4 . 1 1 74 74 LEU N N 74 124.684 124.684 122.468 2.216 18485 2270 1 4 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.326 0.006 18485 2271 1 4 . 1 1 74 74 LEU C C 74 172.761 172.761 174.767 -2.006 18485 2272 1 4 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.749 0.806 18485 2273 1 4 . 1 1 74 74 LEU CB C 74 47.043 47.043 45.822 1.221 18485 2274 1 4 . 1 1 74 74 LEU H H 74 8.266 8.266 8.929 -0.663 18485 2275 1 4 . 1 1 75 75 PHE N N 75 126.827 126.827 123.036 3.791 18485 2276 1 4 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.554 -0.311 18485 2277 1 4 . 1 1 75 75 PHE C C 75 174.813 174.813 174.791 0.022 18485 2278 1 4 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.668 0.400 18485 2279 1 4 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.623 -0.974 18485 2280 1 4 . 1 1 75 75 PHE H H 75 9.692 9.692 9.385 0.307 18485 2281 1 4 . 1 1 76 76 ILE N N 76 118.421 118.421 122.476 -4.055 18485 2282 1 4 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.013 0.090 18485 2283 1 4 . 1 1 76 76 ILE C C 76 176.242 176.242 176.325 -0.083 18485 2284 1 4 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.018 0.175 18485 2285 1 4 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.386 0.139 18485 2286 1 4 . 1 1 76 76 ILE H H 76 8.612 8.612 9.199 -0.587 18485 2287 1 4 . 1 1 77 77 LYS N N 77 129.856 129.856 126.380 3.476 18485 2288 1 4 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.923 0.269 18485 2289 1 4 . 1 1 77 77 LYS C C 77 175.887 175.887 176.418 -0.531 18485 2290 1 4 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.218 -0.617 18485 2291 1 4 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.359 1.240 18485 2292 1 4 . 1 1 77 77 LYS H H 77 10.357 10.357 9.146 1.211 18485 2293 1 4 . 1 1 78 78 ALA N N 78 114.323 114.323 118.409 -4.086 18485 2294 1 4 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.062 -0.224 18485 2295 1 4 . 1 1 78 78 ALA C C 78 175.949 175.949 176.567 -0.618 18485 2296 1 4 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.614 -0.096 18485 2297 1 4 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.526 -0.291 18485 2298 1 4 . 1 1 78 78 ALA H H 78 9.554 9.554 8.856 0.698 18485 2299 1 4 . 1 1 79 79 GLU N N 79 120.498 120.498 118.723 1.775 18485 2300 1 4 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.793 -0.029 18485 2301 1 4 . 1 1 79 79 GLU C C 79 175.200 175.200 175.112 0.088 18485 2302 1 4 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.099 0.672 18485 2303 1 4 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.005 -1.003 18485 2304 1 4 . 1 1 79 79 GLU H H 79 8.219 8.219 7.940 0.279 18485 2305 1 4 . 1 1 80 80 PHE N N 80 125.962 125.962 124.912 1.050 18485 2306 1 4 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.447 -0.055 18485 2307 1 4 . 1 1 80 80 PHE C C 80 175.280 175.280 174.850 0.430 18485 2308 1 4 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.341 -0.082 18485 2309 1 4 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.952 -0.404 18485 2310 1 4 . 1 1 80 80 PHE H H 80 8.935 8.935 8.746 0.189 18485 2311 1 4 . 1 1 81 81 VAL N N 81 128.637 128.637 123.814 4.823 18485 2312 1 4 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.861 -0.092 18485 2313 1 4 . 1 1 81 81 VAL C C 81 174.733 174.733 175.100 -0.367 18485 2314 1 4 . 1 1 81 81 VAL CA C 81 63.039 63.039 61.845 1.194 18485 2315 1 4 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.652 -1.014 18485 2316 1 4 . 1 1 81 81 VAL H H 81 8.288 8.288 8.181 0.107 18485 2317 1 4 . 1 1 82 82 GLY N N 82 100.310 100.310 105.043 -4.733 18485 2318 1 4 . 1 1 82 82 GLY C C 82 172.515 172.515 172.460 0.055 18485 2319 1 4 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.225 0.995 18485 2320 1 4 . 1 1 82 82 GLY H H 82 5.816 5.816 6.470 -0.654 18485 2321 1 4 . 1 1 83 83 GLY N N 83 104.342 104.342 105.866 -1.524 18485 2322 1 4 . 1 1 83 83 GLY C C 83 173.758 173.758 174.848 -1.090 18485 2323 1 4 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.790 0.033 18485 2324 1 4 . 1 1 83 83 GLY H H 83 7.401 7.401 8.269 -0.868 18485 2325 1 4 . 1 1 84 84 LEU N N 84 118.350 118.350 121.573 -3.223 18485 2326 1 4 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.211 -0.430 18485 2327 1 4 . 1 1 84 84 LEU C C 84 178.245 178.245 178.665 -0.420 18485 2328 1 4 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.782 0.472 18485 2329 1 4 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.672 0.930 18485 2330 1 4 . 1 1 84 84 LEU H H 84 8.807 8.807 8.747 0.060 18485 2331 1 4 . 1 1 85 85 ASP N N 85 118.373 118.373 118.097 0.276 18485 2332 1 4 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.420 -0.154 18485 2333 1 4 . 1 1 85 85 ASP C C 85 178.296 178.296 178.183 0.113 18485 2334 1 4 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.067 0.545 18485 2335 1 4 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.355 -0.856 18485 2336 1 4 . 1 1 85 85 ASP H H 85 8.697 8.697 8.671 0.026 18485 2337 1 4 . 1 1 86 86 ILE N N 86 120.495 120.495 118.825 1.670 18485 2338 1 4 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.875 -0.029 18485 2339 1 4 . 1 1 86 86 ILE C C 86 177.657 177.657 178.117 -0.460 18485 2340 1 4 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.734 -0.876 18485 2341 1 4 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.118 0.395 18485 2342 1 4 . 1 1 86 86 ILE H H 86 7.605 7.605 7.739 -0.134 18485 2343 1 4 . 1 1 87 87 VAL N N 87 120.596 120.596 115.707 4.889 18485 2344 1 4 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.773 -0.466 18485 2345 1 4 . 1 1 87 87 VAL C C 87 177.629 177.629 177.956 -0.327 18485 2346 1 4 . 1 1 87 87 VAL CA C 87 67.711 67.711 65.803 1.908 18485 2347 1 4 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.383 0.283 18485 2348 1 4 . 1 1 87 87 VAL H H 87 7.934 7.934 7.895 0.039 18485 2349 1 4 . 1 1 88 88 THR N N 88 112.971 112.971 113.063 -0.092 18485 2350 1 4 . 1 1 88 88 THR HA H 88 3.822 3.822 4.037 -0.215 18485 2351 1 4 . 1 1 88 88 THR C C 88 176.896 176.896 176.720 0.176 18485 2352 1 4 . 1 1 88 88 THR CA C 88 66.898 66.898 65.979 0.919 18485 2353 1 4 . 1 1 88 88 THR CB C 88 68.370 68.370 68.795 -0.425 18485 2354 1 4 . 1 1 88 88 THR H H 88 8.719 8.719 7.750 0.969 18485 2355 1 4 . 1 1 89 89 LYS N N 89 123.633 123.633 122.529 1.104 18485 2356 1 4 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.213 -0.064 18485 2357 1 4 . 1 1 89 89 LYS C C 89 179.648 179.648 179.194 0.454 18485 2358 1 4 . 1 1 89 89 LYS CA C 89 59.626 59.626 58.368 1.258 18485 2359 1 4 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.701 0.387 18485 2360 1 4 . 1 1 89 89 LYS H H 89 7.568 7.568 8.019 -0.451 18485 2361 1 4 . 1 1 90 90 MET N N 90 118.147 118.147 118.913 -0.766 18485 2362 1 4 . 1 1 90 90 MET HA H 90 4.333 4.333 4.103 0.230 18485 2363 1 4 . 1 1 90 90 MET C C 90 179.634 179.634 179.016 0.618 18485 2364 1 4 . 1 1 90 90 MET CA C 90 58.590 58.590 59.092 -0.501 18485 2365 1 4 . 1 1 90 90 MET CB C 90 34.033 34.033 32.391 1.643 18485 2366 1 4 . 1 1 90 90 MET H H 90 8.520 8.520 8.270 0.250 18485 2367 1 4 . 1 1 91 91 LEU N N 91 124.789 124.789 120.834 3.955 18485 2368 1 4 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.944 0.256 18485 2369 1 4 . 1 1 91 91 LEU C C 91 179.696 179.696 179.197 0.499 18485 2370 1 4 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.813 0.268 18485 2371 1 4 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.738 0.123 18485 2372 1 4 . 1 1 91 91 LEU H H 91 8.792 8.792 8.013 0.779 18485 2373 1 4 . 1 1 92 92 GLU N N 92 118.965 118.965 119.774 -0.809 18485 2374 1 4 . 1 1 92 92 GLU HA H 92 4.017 4.017 3.972 0.045 18485 2375 1 4 . 1 1 92 92 GLU C C 92 178.352 178.352 178.471 -0.119 18485 2376 1 4 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.263 -0.185 18485 2377 1 4 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.695 -0.004 18485 2378 1 4 . 1 1 92 92 GLU H H 92 7.999 7.999 8.174 -0.175 18485 2379 1 4 . 1 1 93 93 SER N N 93 111.381 111.381 111.613 -0.232 18485 2380 1 4 . 1 1 93 93 SER HA H 93 4.406 4.406 4.419 -0.013 18485 2381 1 4 . 1 1 93 93 SER C C 93 175.948 175.948 174.406 1.542 18485 2382 1 4 . 1 1 93 93 SER CA C 93 59.192 59.192 58.610 0.582 18485 2383 1 4 . 1 1 93 93 SER CB C 93 64.227 64.227 63.734 0.493 18485 2384 1 4 . 1 1 93 93 SER H H 93 8.270 8.270 8.255 0.015 18485 2385 1 4 . 1 1 94 94 GLY N N 94 109.172 109.172 108.439 0.733 18485 2386 1 4 . 1 1 94 94 GLY C C 94 174.906 174.906 175.544 -0.638 18485 2387 1 4 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.102 -0.719 18485 2388 1 4 . 1 1 94 94 GLY H H 94 7.406 7.406 7.552 -0.146 18485 2389 1 4 . 1 1 95 95 ASP N N 95 122.640 122.640 121.856 0.784 18485 2390 1 4 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.582 -0.102 18485 2391 1 4 . 1 1 95 95 ASP C C 95 178.486 178.486 177.712 0.774 18485 2392 1 4 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.237 1.014 18485 2393 1 4 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.800 0.570 18485 2394 1 4 . 1 1 95 95 ASP H H 95 8.337 8.337 7.863 0.474 18485 2395 1 4 . 1 1 96 96 LEU N N 96 122.329 122.329 120.744 1.585 18485 2396 1 4 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.090 -0.009 18485 2397 1 4 . 1 1 96 96 LEU C C 96 177.070 177.070 178.267 -1.197 18485 2398 1 4 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.814 0.146 18485 2399 1 4 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.879 -0.977 18485 2400 1 4 . 1 1 96 96 LEU H H 96 7.992 7.992 7.720 0.272 18485 2401 1 4 . 1 1 97 97 LYS N N 97 118.159 118.159 118.178 -0.019 18485 2402 1 4 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.897 0.024 18485 2403 1 4 . 1 1 97 97 LYS C C 97 178.245 178.245 178.654 -0.409 18485 2404 1 4 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.881 0.219 18485 2405 1 4 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.812 0.116 18485 2406 1 4 . 1 1 97 97 LYS H H 97 8.254 8.254 8.411 -0.157 18485 2407 1 4 . 1 1 98 98 LYS N N 98 117.677 117.677 119.020 -1.343 18485 2408 1 4 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.998 -0.061 18485 2409 1 4 . 1 1 98 98 LYS C C 98 177.471 177.471 178.853 -1.382 18485 2410 1 4 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.450 0.480 18485 2411 1 4 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.238 0.502 18485 2412 1 4 . 1 1 98 98 LYS H H 98 7.388 7.388 7.418 -0.030 18485 2413 1 4 . 1 1 99 99 MET N N 99 119.426 119.426 119.353 0.073 18485 2414 1 4 . 1 1 99 99 MET HA H 99 4.138 4.138 4.165 -0.027 18485 2415 1 4 . 1 1 99 99 MET C C 99 178.018 178.018 178.207 -0.189 18485 2416 1 4 . 1 1 99 99 MET CA C 99 59.151 59.151 58.905 0.246 18485 2417 1 4 . 1 1 99 99 MET CB C 99 32.550 32.550 32.727 -0.177 18485 2418 1 4 . 1 1 99 99 MET H H 99 7.934 7.934 7.588 0.346 18485 2419 1 4 . 1 1 100 100 LEU N N 100 118.006 118.006 119.589 -1.583 18485 2420 1 4 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.834 -0.043 18485 2421 1 4 . 1 1 100 100 LEU C C 100 178.592 178.592 178.980 -0.388 18485 2422 1 4 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.194 0.408 18485 2423 1 4 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.290 -0.590 18485 2424 1 4 . 1 1 100 100 LEU H H 100 8.131 8.131 7.807 0.324 18485 2425 1 4 . 1 1 101 101 ARG N N 101 118.551 118.551 117.716 0.835 18485 2426 1 4 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.011 0.115 18485 2427 1 4 . 1 1 101 101 ARG C C 101 181.117 181.117 178.411 2.706 18485 2428 1 4 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.996 0.281 18485 2429 1 4 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.679 0.113 18485 2430 1 4 . 1 1 101 101 ARG H H 101 8.045 8.045 8.392 -0.347 18485 2431 1 4 . 1 1 102 102 ASP N N 102 122.544 122.544 120.214 2.330 18485 2432 1 4 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.534 -0.129 18485 2433 1 4 . 1 1 102 102 ASP C C 102 178.405 178.405 178.242 0.163 18485 2434 1 4 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.680 0.622 18485 2435 1 4 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.023 -0.710 18485 2436 1 4 . 1 1 102 102 ASP H H 102 8.828 8.828 7.678 1.150 18485 2437 1 4 . 1 1 103 103 LYS N N 103 116.177 116.177 117.256 -1.079 18485 2438 1 4 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.363 0.033 18485 2439 1 4 . 1 1 103 103 LYS C C 103 176.282 176.282 176.946 -0.664 18485 2440 1 4 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.367 -0.043 18485 2441 1 4 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.747 -0.032 18485 2442 1 4 . 1 1 103 103 LYS H H 103 7.847 7.847 8.258 -0.411 18485 2443 1 4 . 1 1 104 104 GLY N N 104 108.597 108.597 107.062 1.535 18485 2444 1 4 . 1 1 104 104 GLY C C 104 174.450 174.450 174.512 -0.062 18485 2445 1 4 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.282 1.042 18485 2446 1 4 . 1 1 104 104 GLY H H 104 7.930 7.930 7.797 0.133 18485 2447 1 4 . 1 1 105 105 ILE N N 105 123.232 123.232 119.835 3.397 18485 2448 1 4 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.260 -0.151 18485 2449 1 4 . 1 1 105 105 ILE C C 105 175.374 175.374 175.911 -0.537 18485 2450 1 4 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.210 0.433 18485 2451 1 4 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.794 -0.106 18485 2452 1 4 . 1 1 105 105 ILE H H 105 8.323 8.323 8.146 0.177 18485 2453 1 4 . 1 1 106 106 THR N N 106 123.522 123.522 121.794 1.728 18485 2454 1 4 . 1 1 106 106 THR HA H 106 4.155 4.155 4.272 -0.117 18485 2455 1 4 . 1 1 106 106 THR C C 106 173.223 173.223 173.576 -0.353 18485 2456 1 4 . 1 1 106 106 THR CA C 106 63.189 63.189 63.601 -0.412 18485 2457 1 4 . 1 1 106 106 THR CB C 106 69.242 69.242 69.014 0.227 18485 2458 1 4 . 1 1 106 106 THR H H 106 8.521 8.521 8.553 -0.032 18485 2459 1 4 . 1 1 107 107 CYS N N 107 120.688 120.688 122.291 -1.603 18485 2460 1 4 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.206 -0.339 18485 2461 1 4 . 1 1 107 107 CYS C C 107 173.798 173.798 173.235 0.563 18485 2462 1 4 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.235 0.317 18485 2463 1 4 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.454 -0.992 18485 2464 1 4 . 1 1 107 107 CYS H H 107 8.247 8.247 8.060 0.187 18485 2465 1 4 . 1 1 108 108 ARG N N 108 122.349 122.349 120.910 1.439 18485 2466 1 4 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.237 0.054 18485 2467 1 4 . 1 1 108 108 ARG C C 108 175.547 175.547 175.975 -0.428 18485 2468 1 4 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.826 -0.526 18485 2469 1 4 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.611 0.665 18485 2470 1 4 . 1 1 108 108 ARG H H 108 8.512 8.512 8.396 0.116 18485 2471 1 4 . 1 1 109 109 ASP N N 109 121.453 121.453 120.646 0.807 18485 2472 1 4 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.461 0.164 18485 2473 1 4 . 1 1 109 109 ASP C C 109 174.973 174.973 176.644 -1.671 18485 2474 1 4 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.254 -1.015 18485 2475 1 4 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.875 0.081 18485 2476 1 4 . 1 1 109 109 ASP H H 109 8.399 8.399 8.354 0.045 18485 2477 1 5 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.602 -0.190 18485 2478 1 5 . 1 1 2 2 ALA C C 2 177.283 177.283 175.796 1.487 18485 2479 1 5 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.957 0.327 18485 2480 1 5 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.767 -1.263 18485 2481 1 5 . 1 1 3 3 MET N N 3 121.052 121.052 123.003 -1.951 18485 2482 1 5 . 1 1 3 3 MET HA H 3 4.458 4.458 4.730 -0.272 18485 2483 1 5 . 1 1 3 3 MET C C 3 175.185 175.185 175.839 -0.654 18485 2484 1 5 . 1 1 3 3 MET CA C 3 56.001 56.001 55.081 0.920 18485 2485 1 5 . 1 1 3 3 MET CB C 3 34.282 34.282 33.239 1.043 18485 2486 1 5 . 1 1 3 3 MET H H 3 8.313 8.313 8.333 -0.020 18485 2487 1 5 . 1 1 4 4 VAL N N 4 116.976 116.976 121.464 -4.488 18485 2488 1 5 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.642 -0.000 18485 2489 1 5 . 1 1 4 4 VAL C C 4 176.976 176.976 176.866 0.110 18485 2490 1 5 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.569 0.183 18485 2491 1 5 . 1 1 4 4 VAL CB C 4 34.878 34.878 33.984 0.894 18485 2492 1 5 . 1 1 4 4 VAL H H 4 8.432 8.432 8.683 -0.251 18485 2493 1 5 . 1 1 5 5 LYS N N 5 123.795 123.795 122.936 0.859 18485 2494 1 5 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.023 -0.437 18485 2495 1 5 . 1 1 5 5 LYS C C 5 178.205 178.205 178.311 -0.106 18485 2496 1 5 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.800 1.262 18485 2497 1 5 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.157 0.066 18485 2498 1 5 . 1 1 5 5 LYS H H 5 8.725 8.725 8.736 -0.011 18485 2499 1 5 . 1 1 6 6 LYS N N 6 117.559 117.559 118.229 -0.670 18485 2500 1 5 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.104 -0.030 18485 2501 1 5 . 1 1 6 6 LYS C C 6 176.976 176.976 178.370 -1.394 18485 2502 1 5 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.226 -0.207 18485 2503 1 5 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.112 0.546 18485 2504 1 5 . 1 1 6 6 LYS H H 6 8.395 8.395 8.401 -0.006 18485 2505 1 5 . 1 1 7 7 ASP N N 7 116.710 116.710 119.747 -3.037 18485 2506 1 5 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.452 -0.088 18485 2507 1 5 . 1 1 7 7 ASP C C 7 179.180 179.180 178.710 0.470 18485 2508 1 5 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.353 0.057 18485 2509 1 5 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.464 0.411 18485 2510 1 5 . 1 1 7 7 ASP H H 7 7.415 7.415 7.956 -0.541 18485 2511 1 5 . 1 1 8 8 ILE N N 8 120.990 120.990 119.952 1.038 18485 2512 1 5 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.528 -0.251 18485 2513 1 5 . 1 1 8 8 ILE C C 8 177.537 177.537 177.501 0.036 18485 2514 1 5 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.846 -0.286 18485 2515 1 5 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.075 -0.006 18485 2516 1 5 . 1 1 8 8 ILE H H 8 7.302 7.302 7.210 0.092 18485 2517 1 5 . 1 1 9 9 ASP N N 9 120.214 120.214 120.588 -0.374 18485 2518 1 5 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.428 -0.221 18485 2519 1 5 . 1 1 9 9 ASP C C 9 178.564 178.564 178.418 0.146 18485 2520 1 5 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.323 0.685 18485 2521 1 5 . 1 1 9 9 ASP CB C 9 41.882 41.882 40.945 0.937 18485 2522 1 5 . 1 1 9 9 ASP H H 9 7.884 7.884 7.619 0.265 18485 2523 1 5 . 1 1 10 10 ASP N N 10 117.314 117.314 118.590 -1.276 18485 2524 1 5 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.479 -0.155 18485 2525 1 5 . 1 1 10 10 ASP C C 10 179.340 179.340 178.429 0.911 18485 2526 1 5 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.099 0.087 18485 2527 1 5 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.871 -0.958 18485 2528 1 5 . 1 1 10 10 ASP H H 10 8.856 8.856 8.073 0.783 18485 2529 1 5 . 1 1 11 11 THR N N 11 119.032 119.032 117.228 1.804 18485 2530 1 5 . 1 1 11 11 THR HA H 11 4.061 4.061 4.036 0.025 18485 2531 1 5 . 1 1 11 11 THR C C 11 175.574 175.574 176.372 -0.798 18485 2532 1 5 . 1 1 11 11 THR CA C 11 67.210 67.210 67.498 -0.287 18485 2533 1 5 . 1 1 11 11 THR CB C 11 68.319 68.319 68.781 -0.462 18485 2534 1 5 . 1 1 11 11 THR H H 11 7.670 7.670 8.066 -0.396 18485 2535 1 5 . 1 1 12 12 ILE N N 12 122.228 122.228 121.193 1.035 18485 2536 1 5 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.651 -0.012 18485 2537 1 5 . 1 1 12 12 ILE C C 12 177.455 177.455 178.050 -0.595 18485 2538 1 5 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.060 -0.151 18485 2539 1 5 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.713 -0.135 18485 2540 1 5 . 1 1 12 12 ILE H H 12 8.303 8.303 8.314 -0.011 18485 2541 1 5 . 1 1 13 13 LYS N N 13 114.462 114.462 118.916 -4.454 18485 2542 1 5 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.130 0.004 18485 2543 1 5 . 1 1 13 13 LYS C C 13 177.547 177.547 177.953 -0.406 18485 2544 1 5 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.642 -0.242 18485 2545 1 5 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.364 0.642 18485 2546 1 5 . 1 1 13 13 LYS H H 13 7.709 7.709 7.988 -0.279 18485 2547 1 5 . 1 1 14 14 SER N N 14 112.642 112.642 112.013 0.629 18485 2548 1 5 . 1 1 14 14 SER HA H 14 4.551 4.551 4.567 -0.016 18485 2549 1 5 . 1 1 14 14 SER C C 14 174.532 174.532 174.813 -0.281 18485 2550 1 5 . 1 1 14 14 SER CA C 14 59.744 59.744 59.540 0.204 18485 2551 1 5 . 1 1 14 14 SER CB C 14 65.009 65.009 64.430 0.579 18485 2552 1 5 . 1 1 14 14 SER H H 14 7.749 7.749 7.792 -0.043 18485 2553 1 5 . 1 1 15 15 GLU N N 15 121.266 121.266 120.718 0.548 18485 2554 1 5 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.367 0.197 18485 2555 1 5 . 1 1 15 15 GLU C C 15 176.789 176.789 176.259 0.530 18485 2556 1 5 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.795 -1.350 18485 2557 1 5 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.986 -0.660 18485 2558 1 5 . 1 1 15 15 GLU H H 15 8.101 8.101 7.671 0.430 18485 2559 1 5 . 1 1 16 16 ASP N N 16 122.253 122.253 120.120 2.133 18485 2560 1 5 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.782 -0.442 18485 2561 1 5 . 1 1 16 16 ASP C C 16 176.469 176.469 175.687 0.782 18485 2562 1 5 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.321 2.438 18485 2563 1 5 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.173 -1.355 18485 2564 1 5 . 1 1 16 16 ASP H H 16 8.685 8.685 8.776 -0.091 18485 2565 1 5 . 1 1 17 17 VAL N N 17 118.536 118.536 117.608 0.928 18485 2566 1 5 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.987 -0.072 18485 2567 1 5 . 1 1 17 17 VAL C C 17 174.452 174.452 174.147 0.305 18485 2568 1 5 . 1 1 17 17 VAL CA C 17 61.903 61.903 60.857 1.046 18485 2569 1 5 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.876 -0.499 18485 2570 1 5 . 1 1 17 17 VAL H H 17 8.547 8.547 7.746 0.801 18485 2571 1 5 . 1 1 18 18 VAL N N 18 125.917 125.917 126.200 -0.283 18485 2572 1 5 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.143 0.112 18485 2573 1 5 . 1 1 18 18 VAL C C 18 174.158 174.158 174.424 -0.266 18485 2574 1 5 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.457 -0.355 18485 2575 1 5 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.181 -0.126 18485 2576 1 5 . 1 1 18 18 VAL H H 18 8.755 8.755 9.033 -0.278 18485 2577 1 5 . 1 1 19 19 THR N N 19 120.107 120.107 117.240 2.867 18485 2578 1 5 . 1 1 19 19 THR HA H 19 5.795 5.795 5.350 0.445 18485 2579 1 5 . 1 1 19 19 THR C C 19 171.126 171.126 172.893 -1.767 18485 2580 1 5 . 1 1 19 19 THR CA C 19 58.118 58.118 60.109 -1.992 18485 2581 1 5 . 1 1 19 19 THR CB C 19 72.547 72.547 72.063 0.484 18485 2582 1 5 . 1 1 19 19 THR H H 19 8.938 8.938 8.856 0.082 18485 2583 1 5 . 1 1 20 20 PHE N N 20 125.287 125.287 124.632 0.655 18485 2584 1 5 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.569 -0.065 18485 2585 1 5 . 1 1 20 20 PHE C C 20 175.200 175.200 174.791 0.409 18485 2586 1 5 . 1 1 20 20 PHE CA C 20 56.498 56.498 57.054 -0.556 18485 2587 1 5 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.673 -0.012 18485 2588 1 5 . 1 1 20 20 PHE H H 20 8.230 8.230 8.216 0.014 18485 2589 1 5 . 1 1 21 21 ILE N N 21 114.660 114.660 116.115 -1.455 18485 2590 1 5 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.861 -0.049 18485 2591 1 5 . 1 1 21 21 ILE C C 21 173.918 173.918 173.830 0.088 18485 2592 1 5 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.227 0.136 18485 2593 1 5 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.548 1.272 18485 2594 1 5 . 1 1 21 21 ILE H H 21 9.042 9.042 9.338 -0.296 18485 2595 1 5 . 1 1 22 22 LYS N N 22 117.197 117.197 122.433 -5.236 18485 2596 1 5 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.631 -0.028 18485 2597 1 5 . 1 1 22 22 LYS C C 22 175.935 175.935 175.451 0.484 18485 2598 1 5 . 1 1 22 22 LYS CA C 22 56.698 56.698 54.719 1.979 18485 2599 1 5 . 1 1 22 22 LYS CB C 22 33.193 33.193 32.379 0.814 18485 2600 1 5 . 1 1 22 22 LYS H H 22 8.581 8.581 8.573 0.008 18485 2601 1 5 . 1 1 23 23 GLY N N 23 117.108 117.108 108.805 8.303 18485 2602 1 5 . 1 1 23 23 GLY C C 23 170.793 170.793 172.234 -1.441 18485 2603 1 5 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.703 -0.066 18485 2604 1 5 . 1 1 23 23 GLY H H 23 9.178 9.178 7.579 1.599 18485 2605 1 5 . 1 1 24 24 LEU N N 24 117.859 117.859 120.674 -2.815 18485 2606 1 5 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.656 0.204 18485 2607 1 5 . 1 1 24 24 LEU C C 24 176.709 176.709 175.895 0.814 18485 2608 1 5 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.084 -1.134 18485 2609 1 5 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.370 1.638 18485 2610 1 5 . 1 1 24 24 LEU H H 24 7.162 7.162 7.826 -0.664 18485 2611 1 5 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.473 -0.520 18485 2612 1 5 . 1 1 25 25 PRO C C 25 177.190 177.190 177.500 -0.310 18485 2613 1 5 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.957 1.365 18485 2614 1 5 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.272 -0.548 18485 2615 1 5 . 1 1 26 26 GLU N N 26 111.260 111.260 117.015 -5.755 18485 2616 1 5 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.226 -0.021 18485 2617 1 5 . 1 1 26 26 GLU C C 26 176.429 176.429 176.473 -0.044 18485 2618 1 5 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.420 -0.677 18485 2619 1 5 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.284 -0.586 18485 2620 1 5 . 1 1 26 26 GLU H H 26 8.807 8.807 8.301 0.506 18485 2621 1 5 . 1 1 27 27 ALA N N 27 122.547 122.547 123.232 -0.685 18485 2622 1 5 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.629 -0.042 18485 2623 1 5 . 1 1 27 27 ALA C C 27 172.342 172.342 174.980 -2.638 18485 2624 1 5 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.949 0.935 18485 2625 1 5 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.723 -0.028 18485 2626 1 5 . 1 1 27 27 ALA H H 27 7.856 7.856 7.748 0.108 18485 2627 1 5 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.559 0.083 18485 2628 1 5 . 1 1 28 28 PRO C C 28 178.512 178.512 176.370 2.142 18485 2629 1 5 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.705 0.401 18485 2630 1 5 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.803 -0.738 18485 2631 1 5 . 1 1 29 29 MET N N 29 119.426 119.426 119.641 -0.215 18485 2632 1 5 . 1 1 29 29 MET HA H 29 4.758 4.758 4.559 0.199 18485 2633 1 5 . 1 1 29 29 MET C C 29 175.374 175.374 176.140 -0.766 18485 2634 1 5 . 1 1 29 29 MET CA C 29 54.594 54.594 56.771 -2.177 18485 2635 1 5 . 1 1 29 29 MET CB C 29 33.036 33.036 33.067 -0.031 18485 2636 1 5 . 1 1 29 29 MET H H 29 8.828 8.828 8.639 0.189 18485 2637 1 5 . 1 1 30 30 CYS N N 30 116.089 116.089 117.121 -1.032 18485 2638 1 5 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.664 0.188 18485 2639 1 5 . 1 1 30 30 CYS C C 30 176.028 176.028 174.152 1.876 18485 2640 1 5 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.724 1.001 18485 2641 1 5 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.675 1.584 18485 2642 1 5 . 1 1 30 30 CYS H H 30 7.455 7.455 7.525 -0.070 18485 2643 1 5 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.103 -0.023 18485 2644 1 5 . 1 1 31 31 ALA C C 31 180.222 180.222 178.429 1.793 18485 2645 1 5 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.649 0.045 18485 2646 1 5 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.654 0.027 18485 2647 1 5 . 1 1 32 32 TYR N N 32 121.972 121.972 118.043 3.929 18485 2648 1 5 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.175 0.158 18485 2649 1 5 . 1 1 32 32 TYR C C 32 178.673 178.673 177.985 0.688 18485 2650 1 5 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.728 -1.799 18485 2651 1 5 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.733 -0.696 18485 2652 1 5 . 1 1 32 32 TYR H H 32 8.846 8.846 8.478 0.368 18485 2653 1 5 . 1 1 33 33 SER N N 33 125.375 125.375 114.602 10.773 18485 2654 1 5 . 1 1 33 33 SER HA H 33 4.013 4.013 4.209 -0.196 18485 2655 1 5 . 1 1 33 33 SER C C 33 174.906 174.906 176.194 -1.288 18485 2656 1 5 . 1 1 33 33 SER CA C 33 64.417 64.417 62.402 2.015 18485 2657 1 5 . 1 1 33 33 SER CB C 33 62.687 62.687 62.515 0.172 18485 2658 1 5 . 1 1 33 33 SER H H 33 10.272 10.272 8.318 1.954 18485 2659 1 5 . 1 1 34 34 LYS N N 34 121.216 121.216 122.565 -1.349 18485 2660 1 5 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.000 -0.147 18485 2661 1 5 . 1 1 34 34 LYS C C 34 177.083 177.083 178.712 -1.629 18485 2662 1 5 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.927 0.736 18485 2663 1 5 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.264 -0.114 18485 2664 1 5 . 1 1 34 34 LYS H H 34 8.024 8.024 8.042 -0.018 18485 2665 1 5 . 1 1 35 35 ARG N N 35 117.269 117.269 119.177 -1.908 18485 2666 1 5 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.048 0.101 18485 2667 1 5 . 1 1 35 35 ARG C C 35 178.058 178.058 178.926 -0.868 18485 2668 1 5 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.501 0.475 18485 2669 1 5 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.666 0.046 18485 2670 1 5 . 1 1 35 35 ARG H H 35 7.559 7.559 8.038 -0.479 18485 2671 1 5 . 1 1 36 36 MET N N 36 117.954 117.954 119.371 -1.417 18485 2672 1 5 . 1 1 36 36 MET HA H 36 4.068 4.068 4.188 -0.120 18485 2673 1 5 . 1 1 36 36 MET C C 36 176.963 176.963 177.876 -0.913 18485 2674 1 5 . 1 1 36 36 MET CA C 36 58.195 58.195 57.797 0.398 18485 2675 1 5 . 1 1 36 36 MET CB C 36 31.742 31.742 32.335 -0.593 18485 2676 1 5 . 1 1 36 36 MET H H 36 8.027 8.027 7.925 0.102 18485 2677 1 5 . 1 1 37 37 ILE N N 37 118.650 118.650 119.476 -0.826 18485 2678 1 5 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.465 0.055 18485 2679 1 5 . 1 1 37 37 ILE C C 37 177.631 177.631 178.022 -0.391 18485 2680 1 5 . 1 1 37 37 ILE CA C 37 61.873 61.873 64.047 -2.174 18485 2681 1 5 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.474 -1.302 18485 2682 1 5 . 1 1 37 37 ILE H H 37 7.825 7.825 7.620 0.204 18485 2683 1 5 . 1 1 38 38 ASP N N 38 119.229 119.229 120.445 -1.216 18485 2684 1 5 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.340 -0.010 18485 2685 1 5 . 1 1 38 38 ASP C C 38 180.208 180.208 178.612 1.596 18485 2686 1 5 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.424 0.106 18485 2687 1 5 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.684 -0.713 18485 2688 1 5 . 1 1 38 38 ASP H H 38 8.629 8.629 8.127 0.502 18485 2689 1 5 . 1 1 39 39 VAL N N 39 121.475 121.475 119.477 1.998 18485 2690 1 5 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.681 -0.106 18485 2691 1 5 . 1 1 39 39 VAL C C 39 177.056 177.056 178.164 -1.108 18485 2692 1 5 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.182 0.628 18485 2693 1 5 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.406 0.089 18485 2694 1 5 . 1 1 39 39 VAL H H 39 7.879 7.879 7.488 0.391 18485 2695 1 5 . 1 1 40 40 LEU N N 40 118.145 118.145 119.118 -0.973 18485 2696 1 5 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.901 -0.127 18485 2697 1 5 . 1 1 40 40 LEU C C 40 179.794 179.794 178.781 1.013 18485 2698 1 5 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.774 0.390 18485 2699 1 5 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.195 -0.598 18485 2700 1 5 . 1 1 40 40 LEU H H 40 7.574 7.574 7.233 0.341 18485 2701 1 5 . 1 1 41 41 GLU N N 41 116.305 116.305 119.224 -2.919 18485 2702 1 5 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.145 0.152 18485 2703 1 5 . 1 1 41 41 GLU C C 41 181.117 181.117 179.552 1.565 18485 2704 1 5 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.275 -0.723 18485 2705 1 5 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.668 -0.547 18485 2706 1 5 . 1 1 41 41 GLU H H 41 8.871 8.871 8.607 0.264 18485 2707 1 5 . 1 1 42 42 ALA N N 42 124.797 124.797 121.880 2.917 18485 2708 1 5 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.172 -0.007 18485 2709 1 5 . 1 1 42 42 ALA C C 42 180.275 180.275 177.898 2.377 18485 2710 1 5 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.412 0.568 18485 2711 1 5 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.469 -0.810 18485 2712 1 5 . 1 1 42 42 ALA H H 42 8.285 8.285 8.566 -0.281 18485 2713 1 5 . 1 1 43 43 LEU N N 43 115.767 115.767 114.758 1.009 18485 2714 1 5 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.502 -0.253 18485 2715 1 5 . 1 1 43 43 LEU C C 43 177.177 177.177 176.672 0.505 18485 2716 1 5 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.042 1.364 18485 2717 1 5 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.388 1.095 18485 2718 1 5 . 1 1 43 43 LEU H H 43 7.528 7.528 7.620 -0.092 18485 2719 1 5 . 1 1 44 44 GLY N N 44 108.593 108.593 107.187 1.406 18485 2720 1 5 . 1 1 44 44 GLY C C 44 175.011 175.011 174.218 0.793 18485 2721 1 5 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.365 0.976 18485 2722 1 5 . 1 1 44 44 GLY H H 44 7.927 7.927 7.670 0.257 18485 2723 1 5 . 1 1 45 45 LEU N N 45 117.269 117.269 118.114 -0.845 18485 2724 1 5 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.969 -0.517 18485 2725 1 5 . 1 1 45 45 LEU C C 45 176.976 176.976 177.147 -0.171 18485 2726 1 5 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.715 0.685 18485 2727 1 5 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.842 -0.126 18485 2728 1 5 . 1 1 45 45 LEU H H 45 7.482 7.482 7.555 -0.073 18485 2729 1 5 . 1 1 46 46 GLU N N 46 121.177 121.177 121.201 -0.024 18485 2730 1 5 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.423 0.040 18485 2731 1 5 . 1 1 46 46 GLU C C 46 176.135 176.135 175.003 1.132 18485 2732 1 5 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.489 0.035 18485 2733 1 5 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.313 -0.080 18485 2734 1 5 . 1 1 46 46 GLU H H 46 8.250 8.250 8.743 -0.493 18485 2735 1 5 . 1 1 47 47 TYR N N 47 119.617 119.617 119.827 -0.210 18485 2736 1 5 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.343 -0.045 18485 2737 1 5 . 1 1 47 47 TYR C C 47 173.798 173.798 174.808 -1.010 18485 2738 1 5 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.263 0.562 18485 2739 1 5 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.494 0.577 18485 2740 1 5 . 1 1 47 47 TYR H H 47 7.874 7.874 7.908 -0.034 18485 2741 1 5 . 1 1 48 48 THR N N 48 117.577 117.577 117.938 -0.361 18485 2742 1 5 . 1 1 48 48 THR HA H 48 4.266 4.266 4.442 -0.176 18485 2743 1 5 . 1 1 48 48 THR C C 48 171.941 171.941 173.041 -1.100 18485 2744 1 5 . 1 1 48 48 THR CA C 48 62.299 62.299 61.682 0.617 18485 2745 1 5 . 1 1 48 48 THR CB C 48 70.899 70.899 70.696 0.203 18485 2746 1 5 . 1 1 48 48 THR H H 48 8.549 8.549 8.461 0.088 18485 2747 1 5 . 1 1 49 49 SER N N 49 121.488 121.488 120.990 0.498 18485 2748 1 5 . 1 1 49 49 SER HA H 49 5.516 5.516 4.979 0.537 18485 2749 1 5 . 1 1 49 49 SER C C 49 173.691 173.691 173.355 0.336 18485 2750 1 5 . 1 1 49 49 SER CA C 49 55.758 55.758 56.799 -1.041 18485 2751 1 5 . 1 1 49 49 SER CB C 49 66.386 66.386 64.415 1.971 18485 2752 1 5 . 1 1 49 49 SER H H 49 8.536 8.536 8.489 0.047 18485 2753 1 5 . 1 1 50 50 PHE N N 50 124.791 124.791 125.444 -0.653 18485 2754 1 5 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.632 0.083 18485 2755 1 5 . 1 1 50 50 PHE C C 50 173.608 173.608 174.500 -0.892 18485 2756 1 5 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.955 0.384 18485 2757 1 5 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.621 1.908 18485 2758 1 5 . 1 1 50 50 PHE H H 50 8.627 8.627 8.852 -0.225 18485 2759 1 5 . 1 1 51 51 ASP N N 51 120.606 120.606 124.218 -3.612 18485 2760 1 5 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.501 -0.131 18485 2761 1 5 . 1 1 51 51 ASP C C 51 178.779 178.779 177.801 0.978 18485 2762 1 5 . 1 1 51 51 ASP CA C 51 52.234 52.234 51.922 0.312 18485 2763 1 5 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.761 0.414 18485 2764 1 5 . 1 1 51 51 ASP H H 51 8.415 8.415 8.732 -0.317 18485 2765 1 5 . 1 1 52 52 VAL N N 52 119.623 119.623 117.685 1.938 18485 2766 1 5 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.010 0.096 18485 2767 1 5 . 1 1 52 52 VAL C C 52 176.682 176.682 176.316 0.366 18485 2768 1 5 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.394 -1.067 18485 2769 1 5 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.469 0.305 18485 2770 1 5 . 1 1 52 52 VAL H H 52 9.307 9.307 7.907 1.400 18485 2771 1 5 . 1 1 53 53 LEU N N 53 118.392 118.392 118.666 -0.274 18485 2772 1 5 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.296 -0.038 18485 2773 1 5 . 1 1 53 53 LEU C C 53 179.153 179.153 177.801 1.352 18485 2774 1 5 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.906 -0.143 18485 2775 1 5 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.616 -0.581 18485 2776 1 5 . 1 1 53 53 LEU H H 53 9.008 9.008 8.101 0.907 18485 2777 1 5 . 1 1 54 54 ALA N N 54 119.577 119.577 119.097 0.480 18485 2778 1 5 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.262 -0.022 18485 2779 1 5 . 1 1 54 54 ALA C C 54 177.657 177.657 177.693 -0.036 18485 2780 1 5 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.175 0.213 18485 2781 1 5 . 1 1 54 54 ALA CB C 54 20.119 20.119 19.833 0.286 18485 2782 1 5 . 1 1 54 54 ALA H H 54 7.304 7.304 7.816 -0.512 18485 2783 1 5 . 1 1 55 55 HIS N N 55 114.383 114.383 115.551 -1.168 18485 2784 1 5 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.785 0.339 18485 2785 1 5 . 1 1 55 55 HIS C C 55 174.238 174.238 173.306 0.932 18485 2786 1 5 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.701 -0.607 18485 2787 1 5 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.517 1.272 18485 2788 1 5 . 1 1 55 55 HIS H H 55 6.894 6.894 7.861 -0.967 18485 2789 1 5 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.368 -0.042 18485 2790 1 5 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.364 -0.102 18485 2791 1 5 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.552 -0.511 18485 2792 1 5 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.735 0.252 18485 2793 1 5 . 1 1 57 57 VAL C C 57 177.804 177.804 178.392 -0.588 18485 2794 1 5 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.662 -1.335 18485 2795 1 5 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.551 -0.330 18485 2796 1 5 . 1 1 57 57 VAL H H 57 9.778 9.778 8.034 1.744 18485 2797 1 5 . 1 1 58 58 VAL N N 58 120.641 120.641 118.807 1.834 18485 2798 1 5 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.726 -0.194 18485 2799 1 5 . 1 1 58 58 VAL C C 58 177.270 177.270 177.830 -0.560 18485 2800 1 5 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.320 -0.410 18485 2801 1 5 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.185 0.237 18485 2802 1 5 . 1 1 58 58 VAL H H 58 7.540 7.540 7.800 -0.260 18485 2803 1 5 . 1 1 59 59 ARG N N 59 118.263 118.263 119.538 -1.275 18485 2804 1 5 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.060 -0.146 18485 2805 1 5 . 1 1 59 59 ARG C C 59 178.579 178.579 178.746 -0.167 18485 2806 1 5 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.628 0.351 18485 2807 1 5 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.415 0.537 18485 2808 1 5 . 1 1 59 59 ARG H H 59 7.536 7.536 7.701 -0.165 18485 2809 1 5 . 1 1 60 60 SER N N 60 113.091 113.091 116.720 -3.629 18485 2810 1 5 . 1 1 60 60 SER HA H 60 4.161 4.161 4.206 -0.045 18485 2811 1 5 . 1 1 60 60 SER C C 60 175.761 175.761 176.192 -0.431 18485 2812 1 5 . 1 1 60 60 SER CA C 60 61.435 61.435 61.663 -0.228 18485 2813 1 5 . 1 1 60 60 SER CB C 60 62.721 62.721 63.361 -0.639 18485 2814 1 5 . 1 1 60 60 SER H H 60 8.204 8.204 8.755 -0.551 18485 2815 1 5 . 1 1 61 61 TYR N N 61 123.436 123.436 123.602 -0.166 18485 2816 1 5 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.142 -0.260 18485 2817 1 5 . 1 1 61 61 TYR C C 61 177.731 177.731 176.925 0.806 18485 2818 1 5 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.562 0.466 18485 2819 1 5 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.554 0.601 18485 2820 1 5 . 1 1 61 61 TYR H H 61 8.024 8.024 7.612 0.412 18485 2821 1 5 . 1 1 62 62 VAL N N 62 115.253 115.253 118.764 -3.511 18485 2822 1 5 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.310 0.219 18485 2823 1 5 . 1 1 62 62 VAL C C 62 176.990 176.990 177.703 -0.713 18485 2824 1 5 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.482 -1.258 18485 2825 1 5 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.839 0.597 18485 2826 1 5 . 1 1 62 62 VAL H H 62 7.754 7.754 8.226 -0.472 18485 2827 1 5 . 1 1 63 63 LYS N N 63 117.543 117.543 118.090 -0.547 18485 2828 1 5 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.924 0.105 18485 2829 1 5 . 1 1 63 63 LYS C C 63 177.549 177.549 179.269 -1.720 18485 2830 1 5 . 1 1 63 63 LYS CA C 63 58.327 58.327 59.172 -0.845 18485 2831 1 5 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.270 0.491 18485 2832 1 5 . 1 1 63 63 LYS H H 63 7.367 7.367 7.739 -0.372 18485 2833 1 5 . 1 1 64 64 GLU N N 64 116.093 116.093 114.879 1.214 18485 2834 1 5 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.229 -0.115 18485 2835 1 5 . 1 1 64 64 GLU C C 64 177.547 177.547 177.422 0.125 18485 2836 1 5 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.926 -0.421 18485 2837 1 5 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.458 -0.081 18485 2838 1 5 . 1 1 64 64 GLU H H 64 7.701 7.701 7.667 0.034 18485 2839 1 5 . 1 1 65 65 VAL N N 65 116.739 116.739 116.460 0.279 18485 2840 1 5 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.110 -0.275 18485 2841 1 5 . 1 1 65 65 VAL C C 65 176.335 176.335 176.281 0.054 18485 2842 1 5 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.208 0.288 18485 2843 1 5 . 1 1 65 65 VAL CB C 65 32.243 32.243 33.071 -0.827 18485 2844 1 5 . 1 1 65 65 VAL H H 65 7.608 7.608 7.896 -0.288 18485 2845 1 5 . 1 1 66 66 SER N N 66 114.353 114.353 117.123 -2.770 18485 2846 1 5 . 1 1 66 66 SER HA H 66 4.230 4.230 4.613 -0.383 18485 2847 1 5 . 1 1 66 66 SER C C 66 174.345 174.345 174.009 0.336 18485 2848 1 5 . 1 1 66 66 SER CA C 66 58.038 58.038 58.094 -0.056 18485 2849 1 5 . 1 1 66 66 SER CB C 66 63.898 63.898 62.187 1.711 18485 2850 1 5 . 1 1 66 66 SER H H 66 7.526 7.526 7.374 0.152 18485 2851 1 5 . 1 1 67 67 GLU N N 67 121.681 121.681 120.699 0.982 18485 2852 1 5 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.014 -0.149 18485 2853 1 5 . 1 1 67 67 GLU C C 67 175.748 175.748 176.625 -0.877 18485 2854 1 5 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.280 0.565 18485 2855 1 5 . 1 1 67 67 GLU CB C 67 29.380 29.380 29.781 -0.401 18485 2856 1 5 . 1 1 67 67 GLU H H 67 7.966 7.966 7.585 0.381 18485 2857 1 5 . 1 1 68 68 TRP N N 68 119.264 119.264 120.772 -1.508 18485 2858 1 5 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.544 0.391 18485 2859 1 5 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.872 -1.016 18485 2860 1 5 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.557 1.160 18485 2861 1 5 . 1 1 68 68 TRP H H 68 7.633 7.633 7.619 0.014 18485 2862 1 5 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.344 0.098 18485 2863 1 5 . 1 1 69 69 PRO C C 69 176.375 176.375 176.450 -0.075 18485 2864 1 5 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.414 0.153 18485 2865 1 5 . 1 1 69 69 PRO CB C 69 31.513 31.513 32.043 -0.530 18485 2866 1 5 . 1 1 70 70 THR N N 70 114.312 114.312 117.029 -2.717 18485 2867 1 5 . 1 1 70 70 THR HA H 70 4.344 4.344 4.248 0.096 18485 2868 1 5 . 1 1 70 70 THR C C 70 172.275 172.275 174.309 -2.034 18485 2869 1 5 . 1 1 70 70 THR CA C 70 61.465 61.465 63.649 -2.184 18485 2870 1 5 . 1 1 70 70 THR CB C 70 70.433 70.433 69.542 0.891 18485 2871 1 5 . 1 1 70 70 THR H H 70 7.162 7.162 7.628 -0.466 18485 2872 1 5 . 1 1 71 71 ILE N N 71 123.770 123.770 125.616 -1.846 18485 2873 1 5 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.617 -0.115 18485 2874 1 5 . 1 1 71 71 ILE C C 71 175.106 175.106 174.539 0.567 18485 2875 1 5 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.480 -1.725 18485 2876 1 5 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.185 0.892 18485 2877 1 5 . 1 1 71 71 ILE H H 71 8.398 8.398 8.326 0.072 18485 2878 1 5 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.216 0.342 18485 2879 1 5 . 1 1 72 72 PRO C C 72 175.507 175.507 175.637 -0.130 18485 2880 1 5 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.417 0.021 18485 2881 1 5 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.733 3.923 18485 2882 1 5 . 1 1 73 73 GLN N N 73 112.013 112.013 116.861 -4.848 18485 2883 1 5 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.207 -0.115 18485 2884 1 5 . 1 1 73 73 GLN C C 73 174.559 174.559 174.285 0.274 18485 2885 1 5 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.358 1.171 18485 2886 1 5 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.188 1.252 18485 2887 1 5 . 1 1 73 73 GLN H H 73 8.521 8.521 8.289 0.232 18485 2888 1 5 . 1 1 74 74 LEU N N 74 124.684 124.684 121.012 3.672 18485 2889 1 5 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.386 -0.054 18485 2890 1 5 . 1 1 74 74 LEU C C 74 172.761 172.761 174.760 -1.999 18485 2891 1 5 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.732 0.823 18485 2892 1 5 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.367 0.676 18485 2893 1 5 . 1 1 74 74 LEU H H 74 8.266 8.266 8.980 -0.714 18485 2894 1 5 . 1 1 75 75 PHE N N 75 126.827 126.827 122.777 4.050 18485 2895 1 5 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.482 -0.239 18485 2896 1 5 . 1 1 75 75 PHE C C 75 174.813 174.813 174.819 -0.006 18485 2897 1 5 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.697 0.371 18485 2898 1 5 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.651 -1.002 18485 2899 1 5 . 1 1 75 75 PHE H H 75 9.692 9.692 9.213 0.479 18485 2900 1 5 . 1 1 76 76 ILE N N 76 118.421 118.421 122.363 -3.942 18485 2901 1 5 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.970 0.133 18485 2902 1 5 . 1 1 76 76 ILE C C 76 176.242 176.242 176.294 -0.052 18485 2903 1 5 . 1 1 76 76 ILE CA C 76 59.193 59.193 58.992 0.201 18485 2904 1 5 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.352 0.173 18485 2905 1 5 . 1 1 76 76 ILE H H 76 8.612 8.612 9.282 -0.670 18485 2906 1 5 . 1 1 77 77 LYS N N 77 129.856 129.856 126.561 3.295 18485 2907 1 5 . 1 1 77 77 LYS HA H 77 4.192 4.192 4.064 0.128 18485 2908 1 5 . 1 1 77 77 LYS C C 77 175.887 175.887 176.479 -0.592 18485 2909 1 5 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.284 -0.683 18485 2910 1 5 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.475 1.124 18485 2911 1 5 . 1 1 77 77 LYS H H 77 10.357 10.357 9.133 1.224 18485 2912 1 5 . 1 1 78 78 ALA N N 78 114.323 114.323 117.217 -2.894 18485 2913 1 5 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.103 -0.265 18485 2914 1 5 . 1 1 78 78 ALA C C 78 175.949 175.949 176.481 -0.532 18485 2915 1 5 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.743 -0.225 18485 2916 1 5 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.157 0.078 18485 2917 1 5 . 1 1 78 78 ALA H H 78 9.554 9.554 8.787 0.767 18485 2918 1 5 . 1 1 79 79 GLU N N 79 120.498 120.498 118.265 2.233 18485 2919 1 5 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.821 -0.057 18485 2920 1 5 . 1 1 79 79 GLU C C 79 175.200 175.200 174.969 0.231 18485 2921 1 5 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.318 0.453 18485 2922 1 5 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.919 -0.916 18485 2923 1 5 . 1 1 79 79 GLU H H 79 8.219 8.219 7.814 0.405 18485 2924 1 5 . 1 1 80 80 PHE N N 80 125.962 125.962 125.476 0.486 18485 2925 1 5 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.462 -0.070 18485 2926 1 5 . 1 1 80 80 PHE C C 80 175.280 175.280 174.816 0.464 18485 2927 1 5 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.674 -0.415 18485 2928 1 5 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.023 -0.475 18485 2929 1 5 . 1 1 80 80 PHE H H 80 8.935 8.935 8.748 0.187 18485 2930 1 5 . 1 1 81 81 VAL N N 81 128.637 128.637 124.913 3.724 18485 2931 1 5 . 1 1 81 81 VAL HA H 81 3.769 3.769 4.055 -0.286 18485 2932 1 5 . 1 1 81 81 VAL C C 81 174.733 174.733 174.879 -0.146 18485 2933 1 5 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.254 0.785 18485 2934 1 5 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.804 -1.166 18485 2935 1 5 . 1 1 81 81 VAL H H 81 8.288 8.288 8.174 0.114 18485 2936 1 5 . 1 1 82 82 GLY N N 82 100.310 100.310 106.145 -5.835 18485 2937 1 5 . 1 1 82 82 GLY C C 82 172.515 172.515 172.497 0.018 18485 2938 1 5 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.318 0.902 18485 2939 1 5 . 1 1 82 82 GLY H H 82 5.816 5.816 6.384 -0.568 18485 2940 1 5 . 1 1 83 83 GLY N N 83 104.342 104.342 107.134 -2.792 18485 2941 1 5 . 1 1 83 83 GLY C C 83 173.758 173.758 175.209 -1.451 18485 2942 1 5 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.905 -0.082 18485 2943 1 5 . 1 1 83 83 GLY H H 83 7.401 7.401 8.156 -0.755 18485 2944 1 5 . 1 1 84 84 LEU N N 84 118.350 118.350 121.067 -2.717 18485 2945 1 5 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.056 -0.275 18485 2946 1 5 . 1 1 84 84 LEU C C 84 178.245 178.245 178.816 -0.571 18485 2947 1 5 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.724 0.530 18485 2948 1 5 . 1 1 84 84 LEU CB C 84 42.602 42.602 42.061 0.541 18485 2949 1 5 . 1 1 84 84 LEU H H 84 8.807 8.807 8.151 0.656 18485 2950 1 5 . 1 1 85 85 ASP N N 85 118.373 118.373 118.495 -0.122 18485 2951 1 5 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.362 -0.096 18485 2952 1 5 . 1 1 85 85 ASP C C 85 178.296 178.296 178.760 -0.464 18485 2953 1 5 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.666 -0.054 18485 2954 1 5 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.447 -0.948 18485 2955 1 5 . 1 1 85 85 ASP H H 85 8.697 8.697 8.459 0.238 18485 2956 1 5 . 1 1 86 86 ILE N N 86 120.495 120.495 120.096 0.399 18485 2957 1 5 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.804 0.042 18485 2958 1 5 . 1 1 86 86 ILE C C 86 177.657 177.657 177.565 0.092 18485 2959 1 5 . 1 1 86 86 ILE CA C 86 62.858 62.858 62.435 0.423 18485 2960 1 5 . 1 1 86 86 ILE CB C 86 37.513 37.513 36.811 0.702 18485 2961 1 5 . 1 1 86 86 ILE H H 86 7.605 7.605 7.447 0.158 18485 2962 1 5 . 1 1 87 87 VAL N N 87 120.596 120.596 120.288 0.308 18485 2963 1 5 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.560 -0.253 18485 2964 1 5 . 1 1 87 87 VAL C C 87 177.629 177.629 177.347 0.282 18485 2965 1 5 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.603 1.108 18485 2966 1 5 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.622 0.043 18485 2967 1 5 . 1 1 87 87 VAL H H 87 7.934 7.934 7.636 0.298 18485 2968 1 5 . 1 1 88 88 THR N N 88 112.971 112.971 112.321 0.650 18485 2969 1 5 . 1 1 88 88 THR HA H 88 3.822 3.822 4.031 -0.209 18485 2970 1 5 . 1 1 88 88 THR C C 88 176.896 176.896 176.827 0.069 18485 2971 1 5 . 1 1 88 88 THR CA C 88 66.898 66.898 65.781 1.117 18485 2972 1 5 . 1 1 88 88 THR CB C 88 68.370 68.370 68.804 -0.434 18485 2973 1 5 . 1 1 88 88 THR H H 88 8.719 8.719 7.567 1.151 18485 2974 1 5 . 1 1 89 89 LYS N N 89 123.633 123.633 122.432 1.201 18485 2975 1 5 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.254 -0.105 18485 2976 1 5 . 1 1 89 89 LYS C C 89 179.648 179.648 179.469 0.179 18485 2977 1 5 . 1 1 89 89 LYS CA C 89 59.626 59.626 57.988 1.638 18485 2978 1 5 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.748 0.340 18485 2979 1 5 . 1 1 89 89 LYS H H 89 7.568 7.568 8.265 -0.697 18485 2980 1 5 . 1 1 90 90 MET N N 90 118.147 118.147 119.770 -1.623 18485 2981 1 5 . 1 1 90 90 MET HA H 90 4.333 4.333 4.096 0.237 18485 2982 1 5 . 1 1 90 90 MET C C 90 179.634 179.634 178.772 0.862 18485 2983 1 5 . 1 1 90 90 MET CA C 90 58.590 58.590 59.058 -0.468 18485 2984 1 5 . 1 1 90 90 MET CB C 90 34.033 34.033 32.330 1.703 18485 2985 1 5 . 1 1 90 90 MET H H 90 8.520 8.520 8.573 -0.053 18485 2986 1 5 . 1 1 91 91 LEU N N 91 124.789 124.789 121.075 3.714 18485 2987 1 5 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.930 0.270 18485 2988 1 5 . 1 1 91 91 LEU C C 91 179.696 179.696 178.996 0.700 18485 2989 1 5 . 1 1 91 91 LEU CA C 91 58.081 58.081 58.029 0.052 18485 2990 1 5 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.765 0.096 18485 2991 1 5 . 1 1 91 91 LEU H H 91 8.792 8.792 7.998 0.794 18485 2992 1 5 . 1 1 92 92 GLU N N 92 118.965 118.965 119.482 -0.517 18485 2993 1 5 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.012 0.005 18485 2994 1 5 . 1 1 92 92 GLU C C 92 178.352 178.352 178.512 -0.160 18485 2995 1 5 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.108 -0.030 18485 2996 1 5 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.657 0.034 18485 2997 1 5 . 1 1 92 92 GLU H H 92 7.999 7.999 7.914 0.085 18485 2998 1 5 . 1 1 93 93 SER N N 93 111.381 111.381 113.041 -1.660 18485 2999 1 5 . 1 1 93 93 SER HA H 93 4.406 4.406 4.402 0.004 18485 3000 1 5 . 1 1 93 93 SER C C 93 175.948 175.948 175.296 0.652 18485 3001 1 5 . 1 1 93 93 SER CA C 93 59.192 59.192 59.165 0.027 18485 3002 1 5 . 1 1 93 93 SER CB C 93 64.227 64.227 63.357 0.870 18485 3003 1 5 . 1 1 93 93 SER H H 93 8.270 8.270 8.218 0.052 18485 3004 1 5 . 1 1 94 94 GLY N N 94 109.172 109.172 109.371 -0.199 18485 3005 1 5 . 1 1 94 94 GLY C C 94 174.906 174.906 175.807 -0.901 18485 3006 1 5 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.299 -0.916 18485 3007 1 5 . 1 1 94 94 GLY H H 94 7.406 7.406 7.914 -0.508 18485 3008 1 5 . 1 1 95 95 ASP N N 95 122.640 122.640 122.182 0.458 18485 3009 1 5 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.443 0.036 18485 3010 1 5 . 1 1 95 95 ASP C C 95 178.486 178.486 177.859 0.627 18485 3011 1 5 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.582 0.669 18485 3012 1 5 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.789 0.581 18485 3013 1 5 . 1 1 95 95 ASP H H 95 8.337 8.337 7.858 0.479 18485 3014 1 5 . 1 1 96 96 LEU N N 96 122.329 122.329 119.966 2.363 18485 3015 1 5 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.065 0.016 18485 3016 1 5 . 1 1 96 96 LEU C C 96 177.070 177.070 178.335 -1.265 18485 3017 1 5 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.295 -0.335 18485 3018 1 5 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.504 -0.602 18485 3019 1 5 . 1 1 96 96 LEU H H 96 7.992 7.992 7.933 0.059 18485 3020 1 5 . 1 1 97 97 LYS N N 97 118.159 118.159 118.092 0.067 18485 3021 1 5 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.884 0.037 18485 3022 1 5 . 1 1 97 97 LYS C C 97 178.245 178.245 179.042 -0.797 18485 3023 1 5 . 1 1 97 97 LYS CA C 97 60.100 60.100 60.033 0.067 18485 3024 1 5 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.820 0.108 18485 3025 1 5 . 1 1 97 97 LYS H H 97 8.254 8.254 8.417 -0.163 18485 3026 1 5 . 1 1 98 98 LYS N N 98 117.677 117.677 119.263 -1.586 18485 3027 1 5 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.008 -0.071 18485 3028 1 5 . 1 1 98 98 LYS C C 98 177.471 177.471 178.829 -1.358 18485 3029 1 5 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.390 0.540 18485 3030 1 5 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.361 0.379 18485 3031 1 5 . 1 1 98 98 LYS H H 98 7.388 7.388 7.989 -0.601 18485 3032 1 5 . 1 1 99 99 MET N N 99 119.426 119.426 119.811 -0.385 18485 3033 1 5 . 1 1 99 99 MET HA H 99 4.138 4.138 4.124 0.014 18485 3034 1 5 . 1 1 99 99 MET C C 99 178.018 178.018 178.394 -0.376 18485 3035 1 5 . 1 1 99 99 MET CA C 99 59.151 59.151 59.036 0.115 18485 3036 1 5 . 1 1 99 99 MET CB C 99 32.550 32.550 32.720 -0.170 18485 3037 1 5 . 1 1 99 99 MET H H 99 7.934 7.934 8.207 -0.273 18485 3038 1 5 . 1 1 100 100 LEU N N 100 118.006 118.006 118.393 -0.387 18485 3039 1 5 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.835 -0.044 18485 3040 1 5 . 1 1 100 100 LEU C C 100 178.592 178.592 178.816 -0.224 18485 3041 1 5 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.370 0.232 18485 3042 1 5 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.260 -0.560 18485 3043 1 5 . 1 1 100 100 LEU H H 100 8.131 8.131 8.193 -0.062 18485 3044 1 5 . 1 1 101 101 ARG N N 101 118.551 118.551 118.092 0.459 18485 3045 1 5 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.085 0.041 18485 3046 1 5 . 1 1 101 101 ARG C C 101 181.117 181.117 178.998 2.119 18485 3047 1 5 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.896 0.381 18485 3048 1 5 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.549 0.243 18485 3049 1 5 . 1 1 101 101 ARG H H 101 8.045 8.045 7.762 0.283 18485 3050 1 5 . 1 1 102 102 ASP N N 102 122.544 122.544 121.446 1.098 18485 3051 1 5 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.557 -0.152 18485 3052 1 5 . 1 1 102 102 ASP C C 102 178.405 178.405 177.912 0.493 18485 3053 1 5 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.779 0.523 18485 3054 1 5 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.915 -0.602 18485 3055 1 5 . 1 1 102 102 ASP H H 102 8.828 8.828 7.901 0.927 18485 3056 1 5 . 1 1 103 103 LYS N N 103 116.177 116.177 117.179 -1.002 18485 3057 1 5 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.580 -0.184 18485 3058 1 5 . 1 1 103 103 LYS C C 103 176.282 176.282 176.026 0.256 18485 3059 1 5 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.350 0.974 18485 3060 1 5 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.410 0.305 18485 3061 1 5 . 1 1 103 103 LYS H H 103 7.847 7.847 7.908 -0.061 18485 3062 1 5 . 1 1 104 104 GLY N N 104 108.597 108.597 106.939 1.658 18485 3063 1 5 . 1 1 104 104 GLY C C 104 174.450 174.450 175.014 -0.564 18485 3064 1 5 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.460 0.863 18485 3065 1 5 . 1 1 104 104 GLY H H 104 7.930 7.930 7.394 0.536 18485 3066 1 5 . 1 1 105 105 ILE N N 105 123.232 123.232 119.370 3.862 18485 3067 1 5 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.191 -0.082 18485 3068 1 5 . 1 1 105 105 ILE C C 105 175.374 175.374 175.934 -0.560 18485 3069 1 5 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.827 -0.184 18485 3070 1 5 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.837 -0.149 18485 3071 1 5 . 1 1 105 105 ILE H H 105 8.323 8.323 8.150 0.173 18485 3072 1 5 . 1 1 106 106 THR N N 106 123.522 123.522 121.521 2.001 18485 3073 1 5 . 1 1 106 106 THR HA H 106 4.155 4.155 4.393 -0.238 18485 3074 1 5 . 1 1 106 106 THR C C 106 173.223 173.223 173.648 -0.425 18485 3075 1 5 . 1 1 106 106 THR CA C 106 63.189 63.189 63.020 0.169 18485 3076 1 5 . 1 1 106 106 THR CB C 106 69.242 69.242 68.252 0.989 18485 3077 1 5 . 1 1 106 106 THR H H 106 8.521 8.521 8.391 0.130 18485 3078 1 5 . 1 1 107 107 CYS N N 107 120.688 120.688 123.417 -2.729 18485 3079 1 5 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.324 -0.457 18485 3080 1 5 . 1 1 107 107 CYS C C 107 173.798 173.798 173.365 0.433 18485 3081 1 5 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.301 0.251 18485 3082 1 5 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.054 -0.592 18485 3083 1 5 . 1 1 107 107 CYS H H 107 8.247 8.247 8.322 -0.075 18485 3084 1 5 . 1 1 108 108 ARG N N 108 122.349 122.349 120.957 1.392 18485 3085 1 5 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.238 0.053 18485 3086 1 5 . 1 1 108 108 ARG C C 108 175.547 175.547 176.100 -0.553 18485 3087 1 5 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.759 -0.459 18485 3088 1 5 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.561 0.715 18485 3089 1 5 . 1 1 108 108 ARG H H 108 8.512 8.512 8.287 0.225 18485 3090 1 5 . 1 1 109 109 ASP N N 109 121.453 121.453 121.303 0.150 18485 3091 1 5 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.452 0.173 18485 3092 1 5 . 1 1 109 109 ASP C C 109 174.973 174.973 176.624 -1.651 18485 3093 1 5 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.118 -0.879 18485 3094 1 5 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.786 0.170 18485 3095 1 5 . 1 1 109 109 ASP H H 109 8.399 8.399 8.341 0.058 18485 3096 1 6 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.624 -0.212 18485 3097 1 6 . 1 1 2 2 ALA C C 2 177.283 177.283 175.740 1.543 18485 3098 1 6 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.924 0.360 18485 3099 1 6 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.678 -1.174 18485 3100 1 6 . 1 1 3 3 MET N N 3 121.052 121.052 123.013 -1.961 18485 3101 1 6 . 1 1 3 3 MET HA H 3 4.458 4.458 5.015 -0.557 18485 3102 1 6 . 1 1 3 3 MET C C 3 175.185 175.185 175.699 -0.514 18485 3103 1 6 . 1 1 3 3 MET CA C 3 56.001 56.001 54.900 1.101 18485 3104 1 6 . 1 1 3 3 MET CB C 3 34.282 34.282 33.290 0.992 18485 3105 1 6 . 1 1 3 3 MET H H 3 8.313 8.313 8.489 -0.176 18485 3106 1 6 . 1 1 4 4 VAL N N 4 116.976 116.976 120.799 -3.823 18485 3107 1 6 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.795 -0.153 18485 3108 1 6 . 1 1 4 4 VAL C C 4 176.976 176.976 176.585 0.391 18485 3109 1 6 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.875 -0.123 18485 3110 1 6 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.461 0.417 18485 3111 1 6 . 1 1 4 4 VAL H H 4 8.432 8.432 8.653 -0.221 18485 3112 1 6 . 1 1 5 5 LYS N N 5 123.795 123.795 122.858 0.937 18485 3113 1 6 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.032 -0.446 18485 3114 1 6 . 1 1 5 5 LYS C C 5 178.205 178.205 178.289 -0.084 18485 3115 1 6 . 1 1 5 5 LYS CA C 5 61.062 61.062 60.109 0.953 18485 3116 1 6 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.289 -0.066 18485 3117 1 6 . 1 1 5 5 LYS H H 5 8.725 8.725 8.805 -0.080 18485 3118 1 6 . 1 1 6 6 LYS N N 6 117.559 117.559 117.980 -0.421 18485 3119 1 6 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.107 -0.033 18485 3120 1 6 . 1 1 6 6 LYS C C 6 176.976 176.976 178.497 -1.521 18485 3121 1 6 . 1 1 6 6 LYS CA C 6 59.019 59.019 58.972 0.047 18485 3122 1 6 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.070 0.588 18485 3123 1 6 . 1 1 6 6 LYS H H 6 8.395 8.395 8.374 0.021 18485 3124 1 6 . 1 1 7 7 ASP N N 7 116.710 116.710 119.349 -2.639 18485 3125 1 6 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.531 -0.167 18485 3126 1 6 . 1 1 7 7 ASP C C 7 179.180 179.180 178.272 0.908 18485 3127 1 6 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.267 0.143 18485 3128 1 6 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.800 0.076 18485 3129 1 6 . 1 1 7 7 ASP H H 7 7.415 7.415 8.076 -0.661 18485 3130 1 6 . 1 1 8 8 ILE N N 8 120.990 120.990 120.642 0.348 18485 3131 1 6 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.607 -0.331 18485 3132 1 6 . 1 1 8 8 ILE C C 8 177.537 177.537 177.215 0.322 18485 3133 1 6 . 1 1 8 8 ILE CA C 8 64.560 64.560 65.045 -0.485 18485 3134 1 6 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.514 -0.445 18485 3135 1 6 . 1 1 8 8 ILE H H 8 7.302 7.302 7.355 -0.053 18485 3136 1 6 . 1 1 9 9 ASP N N 9 120.214 120.214 119.693 0.521 18485 3137 1 6 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.301 -0.094 18485 3138 1 6 . 1 1 9 9 ASP C C 9 178.564 178.564 178.352 0.212 18485 3139 1 6 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.391 0.618 18485 3140 1 6 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.169 0.713 18485 3141 1 6 . 1 1 9 9 ASP H H 9 7.884 7.884 8.027 -0.142 18485 3142 1 6 . 1 1 10 10 ASP N N 10 117.314 117.314 117.906 -0.592 18485 3143 1 6 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.621 -0.297 18485 3144 1 6 . 1 1 10 10 ASP C C 10 179.340 179.340 178.176 1.164 18485 3145 1 6 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.598 0.588 18485 3146 1 6 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.227 -1.314 18485 3147 1 6 . 1 1 10 10 ASP H H 10 8.856 8.856 7.798 1.058 18485 3148 1 6 . 1 1 11 11 THR N N 11 119.032 119.032 117.125 1.907 18485 3149 1 6 . 1 1 11 11 THR HA H 11 4.061 4.061 4.041 0.020 18485 3150 1 6 . 1 1 11 11 THR C C 11 175.574 175.574 176.307 -0.733 18485 3151 1 6 . 1 1 11 11 THR CA C 11 67.210 67.210 66.699 0.511 18485 3152 1 6 . 1 1 11 11 THR CB C 11 68.319 68.319 68.725 -0.406 18485 3153 1 6 . 1 1 11 11 THR H H 11 7.670 7.670 7.471 0.199 18485 3154 1 6 . 1 1 12 12 ILE N N 12 122.228 122.228 119.375 2.853 18485 3155 1 6 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.679 -0.040 18485 3156 1 6 . 1 1 12 12 ILE C C 12 177.455 177.455 177.686 -0.231 18485 3157 1 6 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.409 0.500 18485 3158 1 6 . 1 1 12 12 ILE CB C 12 37.578 37.578 36.841 0.737 18485 3159 1 6 . 1 1 12 12 ILE H H 12 8.303 8.303 8.514 -0.211 18485 3160 1 6 . 1 1 13 13 LYS N N 13 114.462 114.462 116.298 -1.836 18485 3161 1 6 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.248 -0.114 18485 3162 1 6 . 1 1 13 13 LYS C C 13 177.547 177.547 177.734 -0.187 18485 3163 1 6 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.199 0.201 18485 3164 1 6 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.794 0.212 18485 3165 1 6 . 1 1 13 13 LYS H H 13 7.709 7.709 7.454 0.255 18485 3166 1 6 . 1 1 14 14 SER N N 14 112.642 112.642 113.266 -0.624 18485 3167 1 6 . 1 1 14 14 SER HA H 14 4.551 4.551 4.409 0.142 18485 3168 1 6 . 1 1 14 14 SER C C 14 174.532 174.532 174.846 -0.314 18485 3169 1 6 . 1 1 14 14 SER CA C 14 59.744 59.744 59.703 0.041 18485 3170 1 6 . 1 1 14 14 SER CB C 14 65.009 65.009 63.540 1.469 18485 3171 1 6 . 1 1 14 14 SER H H 14 7.749 7.749 7.938 -0.189 18485 3172 1 6 . 1 1 15 15 GLU N N 15 121.266 121.266 120.229 1.037 18485 3173 1 6 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.558 0.006 18485 3174 1 6 . 1 1 15 15 GLU C C 15 176.789 176.789 175.825 0.964 18485 3175 1 6 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.015 -0.570 18485 3176 1 6 . 1 1 15 15 GLU CB C 15 30.326 30.326 32.128 -1.802 18485 3177 1 6 . 1 1 15 15 GLU H H 15 8.101 8.101 7.728 0.373 18485 3178 1 6 . 1 1 16 16 ASP N N 16 122.253 122.253 120.571 1.682 18485 3179 1 6 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.773 -0.433 18485 3180 1 6 . 1 1 16 16 ASP C C 16 176.469 176.469 175.860 0.609 18485 3181 1 6 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.390 2.369 18485 3182 1 6 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.065 -1.247 18485 3183 1 6 . 1 1 16 16 ASP H H 16 8.685 8.685 8.888 -0.203 18485 3184 1 6 . 1 1 17 17 VAL N N 17 118.536 118.536 118.855 -0.319 18485 3185 1 6 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.839 0.076 18485 3186 1 6 . 1 1 17 17 VAL C C 17 174.452 174.452 174.155 0.297 18485 3187 1 6 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.547 0.356 18485 3188 1 6 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.511 -0.134 18485 3189 1 6 . 1 1 17 17 VAL H H 17 8.547 8.547 7.828 0.719 18485 3190 1 6 . 1 1 18 18 VAL N N 18 125.917 125.917 127.801 -1.884 18485 3191 1 6 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.245 0.010 18485 3192 1 6 . 1 1 18 18 VAL C C 18 174.158 174.158 174.508 -0.350 18485 3193 1 6 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.252 -0.150 18485 3194 1 6 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.895 0.160 18485 3195 1 6 . 1 1 18 18 VAL H H 18 8.755 8.755 9.017 -0.262 18485 3196 1 6 . 1 1 19 19 THR N N 19 120.107 120.107 119.188 0.919 18485 3197 1 6 . 1 1 19 19 THR HA H 19 5.795 5.795 5.349 0.446 18485 3198 1 6 . 1 1 19 19 THR C C 19 171.126 171.126 172.760 -1.634 18485 3199 1 6 . 1 1 19 19 THR CA C 19 58.118 58.118 60.015 -1.897 18485 3200 1 6 . 1 1 19 19 THR CB C 19 72.547 72.547 71.898 0.649 18485 3201 1 6 . 1 1 19 19 THR H H 19 8.938 8.938 8.516 0.422 18485 3202 1 6 . 1 1 20 20 PHE N N 20 125.287 125.287 125.188 0.099 18485 3203 1 6 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.463 0.041 18485 3204 1 6 . 1 1 20 20 PHE C C 20 175.200 175.200 174.973 0.227 18485 3205 1 6 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.860 -0.362 18485 3206 1 6 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.705 -0.044 18485 3207 1 6 . 1 1 20 20 PHE H H 20 8.230 8.230 8.753 -0.523 18485 3208 1 6 . 1 1 21 21 ILE N N 21 114.660 114.660 116.477 -1.817 18485 3209 1 6 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.908 -0.096 18485 3210 1 6 . 1 1 21 21 ILE C C 21 173.918 173.918 174.339 -0.421 18485 3211 1 6 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.080 0.283 18485 3212 1 6 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.728 1.092 18485 3213 1 6 . 1 1 21 21 ILE H H 21 9.042 9.042 9.376 -0.334 18485 3214 1 6 . 1 1 22 22 LYS N N 22 117.197 117.197 123.615 -6.418 18485 3215 1 6 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.604 -0.001 18485 3216 1 6 . 1 1 22 22 LYS C C 22 175.935 175.935 176.268 -0.333 18485 3217 1 6 . 1 1 22 22 LYS CA C 22 56.698 56.698 56.262 0.436 18485 3218 1 6 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.459 1.734 18485 3219 1 6 . 1 1 22 22 LYS H H 22 8.581 8.581 8.550 0.031 18485 3220 1 6 . 1 1 23 23 GLY N N 23 117.108 117.108 108.379 8.729 18485 3221 1 6 . 1 1 23 23 GLY C C 23 170.793 170.793 172.562 -1.769 18485 3222 1 6 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.757 -0.119 18485 3223 1 6 . 1 1 23 23 GLY H H 23 9.178 9.178 8.112 1.066 18485 3224 1 6 . 1 1 24 24 LEU N N 24 117.859 117.859 121.022 -3.163 18485 3225 1 6 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.506 0.354 18485 3226 1 6 . 1 1 24 24 LEU C C 24 176.709 176.709 175.907 0.802 18485 3227 1 6 . 1 1 24 24 LEU CA C 24 51.950 51.950 52.436 -0.486 18485 3228 1 6 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.379 1.629 18485 3229 1 6 . 1 1 24 24 LEU H H 24 7.162 7.162 7.926 -0.764 18485 3230 1 6 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.547 -0.594 18485 3231 1 6 . 1 1 25 25 PRO C C 25 177.190 177.190 177.089 0.101 18485 3232 1 6 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.579 1.743 18485 3233 1 6 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.380 -0.656 18485 3234 1 6 . 1 1 26 26 GLU N N 26 111.260 111.260 117.099 -5.839 18485 3235 1 6 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.227 -0.022 18485 3236 1 6 . 1 1 26 26 GLU C C 26 176.429 176.429 176.512 -0.083 18485 3237 1 6 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.283 -0.540 18485 3238 1 6 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.546 -0.848 18485 3239 1 6 . 1 1 26 26 GLU H H 26 8.807 8.807 8.265 0.542 18485 3240 1 6 . 1 1 27 27 ALA N N 27 122.547 122.547 123.184 -0.637 18485 3241 1 6 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.605 -0.018 18485 3242 1 6 . 1 1 27 27 ALA C C 27 172.342 172.342 174.937 -2.595 18485 3243 1 6 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.126 0.758 18485 3244 1 6 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.799 -0.104 18485 3245 1 6 . 1 1 27 27 ALA H H 27 7.856 7.856 7.721 0.135 18485 3246 1 6 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.536 0.106 18485 3247 1 6 . 1 1 28 28 PRO C C 28 178.512 178.512 176.239 2.273 18485 3248 1 6 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.863 0.243 18485 3249 1 6 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.597 -0.532 18485 3250 1 6 . 1 1 29 29 MET N N 29 119.426 119.426 119.841 -0.415 18485 3251 1 6 . 1 1 29 29 MET HA H 29 4.758 4.758 4.540 0.218 18485 3252 1 6 . 1 1 29 29 MET C C 29 175.374 175.374 176.538 -1.164 18485 3253 1 6 . 1 1 29 29 MET CA C 29 54.594 54.594 56.760 -2.166 18485 3254 1 6 . 1 1 29 29 MET CB C 29 33.036 33.036 33.231 -0.195 18485 3255 1 6 . 1 1 29 29 MET H H 29 8.828 8.828 8.874 -0.046 18485 3256 1 6 . 1 1 30 30 CYS N N 30 116.089 116.089 117.671 -1.582 18485 3257 1 6 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.662 0.190 18485 3258 1 6 . 1 1 30 30 CYS C C 30 176.028 176.028 174.880 1.148 18485 3259 1 6 . 1 1 30 30 CYS CA C 30 58.725 58.725 58.135 0.590 18485 3260 1 6 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.215 2.044 18485 3261 1 6 . 1 1 30 30 CYS H H 30 7.455 7.455 7.626 -0.171 18485 3262 1 6 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.983 0.097 18485 3263 1 6 . 1 1 31 31 ALA C C 31 180.222 180.222 178.186 2.036 18485 3264 1 6 . 1 1 31 31 ALA CA C 31 54.694 54.694 55.014 -0.320 18485 3265 1 6 . 1 1 31 31 ALA CB C 31 18.681 18.681 17.922 0.759 18485 3266 1 6 . 1 1 32 32 TYR N N 32 121.972 121.972 117.514 4.458 18485 3267 1 6 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.256 0.077 18485 3268 1 6 . 1 1 32 32 TYR C C 32 178.673 178.673 178.229 0.444 18485 3269 1 6 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.977 -1.048 18485 3270 1 6 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.592 -0.555 18485 3271 1 6 . 1 1 32 32 TYR H H 32 8.846 8.846 8.088 0.758 18485 3272 1 6 . 1 1 33 33 SER N N 33 125.375 125.375 115.876 9.499 18485 3273 1 6 . 1 1 33 33 SER HA H 33 4.013 4.013 4.217 -0.204 18485 3274 1 6 . 1 1 33 33 SER C C 33 174.906 174.906 176.219 -1.313 18485 3275 1 6 . 1 1 33 33 SER CA C 33 64.417 64.417 62.666 1.750 18485 3276 1 6 . 1 1 33 33 SER CB C 33 62.687 62.687 62.503 0.184 18485 3277 1 6 . 1 1 33 33 SER H H 33 10.272 10.272 8.196 2.076 18485 3278 1 6 . 1 1 34 34 LYS N N 34 121.216 121.216 122.336 -1.120 18485 3279 1 6 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.001 -0.148 18485 3280 1 6 . 1 1 34 34 LYS C C 34 177.083 177.083 178.653 -1.570 18485 3281 1 6 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.782 0.881 18485 3282 1 6 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.282 -0.132 18485 3283 1 6 . 1 1 34 34 LYS H H 34 8.024 8.024 8.217 -0.193 18485 3284 1 6 . 1 1 35 35 ARG N N 35 117.269 117.269 119.329 -2.060 18485 3285 1 6 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.090 0.059 18485 3286 1 6 . 1 1 35 35 ARG C C 35 178.058 178.058 178.921 -0.863 18485 3287 1 6 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.430 0.546 18485 3288 1 6 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.753 -0.041 18485 3289 1 6 . 1 1 35 35 ARG H H 35 7.559 7.559 8.287 -0.728 18485 3290 1 6 . 1 1 36 36 MET N N 36 117.954 117.954 119.880 -1.926 18485 3291 1 6 . 1 1 36 36 MET HA H 36 4.068 4.068 4.162 -0.094 18485 3292 1 6 . 1 1 36 36 MET C C 36 176.963 176.963 177.791 -0.828 18485 3293 1 6 . 1 1 36 36 MET CA C 36 58.195 58.195 57.959 0.236 18485 3294 1 6 . 1 1 36 36 MET CB C 36 31.742 31.742 32.295 -0.553 18485 3295 1 6 . 1 1 36 36 MET H H 36 8.027 8.027 8.217 -0.190 18485 3296 1 6 . 1 1 37 37 ILE N N 37 118.650 118.650 119.172 -0.522 18485 3297 1 6 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.472 0.048 18485 3298 1 6 . 1 1 37 37 ILE C C 37 177.631 177.631 178.130 -0.499 18485 3299 1 6 . 1 1 37 37 ILE CA C 37 61.873 61.873 64.226 -2.353 18485 3300 1 6 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.476 -1.304 18485 3301 1 6 . 1 1 37 37 ILE H H 37 7.825 7.825 7.688 0.137 18485 3302 1 6 . 1 1 38 38 ASP N N 38 119.229 119.229 119.763 -0.534 18485 3303 1 6 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.403 -0.073 18485 3304 1 6 . 1 1 38 38 ASP C C 38 180.208 180.208 178.882 1.326 18485 3305 1 6 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.716 -0.186 18485 3306 1 6 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.820 -0.850 18485 3307 1 6 . 1 1 38 38 ASP H H 38 8.629 8.629 8.334 0.295 18485 3308 1 6 . 1 1 39 39 VAL N N 39 121.475 121.475 120.351 1.124 18485 3309 1 6 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.610 -0.035 18485 3310 1 6 . 1 1 39 39 VAL C C 39 177.056 177.056 177.666 -0.610 18485 3311 1 6 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.960 0.850 18485 3312 1 6 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.890 -0.395 18485 3313 1 6 . 1 1 39 39 VAL H H 39 7.879 7.879 7.345 0.534 18485 3314 1 6 . 1 1 40 40 LEU N N 40 118.145 118.145 119.069 -0.924 18485 3315 1 6 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.877 -0.103 18485 3316 1 6 . 1 1 40 40 LEU C C 40 179.794 179.794 178.919 0.875 18485 3317 1 6 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.965 0.199 18485 3318 1 6 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.111 -0.514 18485 3319 1 6 . 1 1 40 40 LEU H H 40 7.574 7.574 7.608 -0.034 18485 3320 1 6 . 1 1 41 41 GLU N N 41 116.305 116.305 119.143 -2.838 18485 3321 1 6 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.128 0.169 18485 3322 1 6 . 1 1 41 41 GLU C C 41 181.117 181.117 179.052 2.065 18485 3323 1 6 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.253 -0.701 18485 3324 1 6 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.793 -0.672 18485 3325 1 6 . 1 1 41 41 GLU H H 41 8.871 8.871 8.632 0.239 18485 3326 1 6 . 1 1 42 42 ALA N N 42 124.797 124.797 120.669 4.128 18485 3327 1 6 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.193 -0.028 18485 3328 1 6 . 1 1 42 42 ALA C C 42 180.275 180.275 178.860 1.415 18485 3329 1 6 . 1 1 42 42 ALA CA C 42 54.980 54.980 53.825 1.155 18485 3330 1 6 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.886 -1.227 18485 3331 1 6 . 1 1 42 42 ALA H H 42 8.285 8.285 7.936 0.349 18485 3332 1 6 . 1 1 43 43 LEU N N 43 115.767 115.767 115.241 0.526 18485 3333 1 6 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.420 -0.171 18485 3334 1 6 . 1 1 43 43 LEU C C 43 177.177 177.177 176.853 0.324 18485 3335 1 6 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.505 0.901 18485 3336 1 6 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.545 0.938 18485 3337 1 6 . 1 1 43 43 LEU H H 43 7.528 7.528 7.612 -0.084 18485 3338 1 6 . 1 1 44 44 GLY N N 44 108.593 108.593 106.683 1.910 18485 3339 1 6 . 1 1 44 44 GLY C C 44 175.011 175.011 174.837 0.174 18485 3340 1 6 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.323 1.018 18485 3341 1 6 . 1 1 44 44 GLY H H 44 7.927 7.927 7.546 0.381 18485 3342 1 6 . 1 1 45 45 LEU N N 45 117.269 117.269 118.781 -1.512 18485 3343 1 6 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.689 -0.237 18485 3344 1 6 . 1 1 45 45 LEU C C 45 176.976 176.976 176.963 0.013 18485 3345 1 6 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.999 0.401 18485 3346 1 6 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.870 -0.154 18485 3347 1 6 . 1 1 45 45 LEU H H 45 7.482 7.482 7.954 -0.472 18485 3348 1 6 . 1 1 46 46 GLU N N 46 121.177 121.177 121.688 -0.511 18485 3349 1 6 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.464 -0.001 18485 3350 1 6 . 1 1 46 46 GLU C C 46 176.135 176.135 175.121 1.014 18485 3351 1 6 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.553 -0.029 18485 3352 1 6 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.524 -0.291 18485 3353 1 6 . 1 1 46 46 GLU H H 46 8.250 8.250 8.770 -0.520 18485 3354 1 6 . 1 1 47 47 TYR N N 47 119.617 119.617 120.335 -0.718 18485 3355 1 6 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.267 0.031 18485 3356 1 6 . 1 1 47 47 TYR C C 47 173.798 173.798 174.835 -1.037 18485 3357 1 6 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.321 0.503 18485 3358 1 6 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.206 0.865 18485 3359 1 6 . 1 1 47 47 TYR H H 47 7.874 7.874 7.948 -0.074 18485 3360 1 6 . 1 1 48 48 THR N N 48 117.577 117.577 118.216 -0.639 18485 3361 1 6 . 1 1 48 48 THR HA H 48 4.266 4.266 4.440 -0.174 18485 3362 1 6 . 1 1 48 48 THR C C 48 171.941 171.941 173.316 -1.375 18485 3363 1 6 . 1 1 48 48 THR CA C 48 62.299 62.299 61.406 0.893 18485 3364 1 6 . 1 1 48 48 THR CB C 48 70.899 70.899 70.128 0.771 18485 3365 1 6 . 1 1 48 48 THR H H 48 8.549 8.549 8.551 -0.002 18485 3366 1 6 . 1 1 49 49 SER N N 49 121.488 121.488 121.416 0.072 18485 3367 1 6 . 1 1 49 49 SER HA H 49 5.516 5.516 5.023 0.493 18485 3368 1 6 . 1 1 49 49 SER C C 49 173.691 173.691 173.564 0.127 18485 3369 1 6 . 1 1 49 49 SER CA C 49 55.758 55.758 57.489 -1.732 18485 3370 1 6 . 1 1 49 49 SER CB C 49 66.386 66.386 64.407 1.979 18485 3371 1 6 . 1 1 49 49 SER H H 49 8.536 8.536 8.530 0.006 18485 3372 1 6 . 1 1 50 50 PHE N N 50 124.791 124.791 120.466 4.325 18485 3373 1 6 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.613 0.102 18485 3374 1 6 . 1 1 50 50 PHE C C 50 173.608 173.608 173.832 -0.224 18485 3375 1 6 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.432 -0.093 18485 3376 1 6 . 1 1 50 50 PHE CB C 50 43.529 43.529 43.051 0.478 18485 3377 1 6 . 1 1 50 50 PHE H H 50 8.627 8.627 8.382 0.245 18485 3378 1 6 . 1 1 51 51 ASP N N 51 120.606 120.606 124.404 -3.798 18485 3379 1 6 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.332 0.038 18485 3380 1 6 . 1 1 51 51 ASP C C 51 178.779 178.779 178.140 0.639 18485 3381 1 6 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.531 -0.297 18485 3382 1 6 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.588 0.587 18485 3383 1 6 . 1 1 51 51 ASP H H 51 8.415 8.415 8.811 -0.396 18485 3384 1 6 . 1 1 52 52 VAL N N 52 119.623 119.623 122.939 -3.316 18485 3385 1 6 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.112 -0.006 18485 3386 1 6 . 1 1 52 52 VAL C C 52 176.682 176.682 175.909 0.773 18485 3387 1 6 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.452 -1.125 18485 3388 1 6 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.709 0.065 18485 3389 1 6 . 1 1 52 52 VAL H H 52 9.307 9.307 8.769 0.538 18485 3390 1 6 . 1 1 53 53 LEU N N 53 118.392 118.392 118.962 -0.570 18485 3391 1 6 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.414 -0.156 18485 3392 1 6 . 1 1 53 53 LEU C C 53 179.153 179.153 177.490 1.663 18485 3393 1 6 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.542 0.221 18485 3394 1 6 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.453 -0.418 18485 3395 1 6 . 1 1 53 53 LEU H H 53 9.008 9.008 8.519 0.489 18485 3396 1 6 . 1 1 54 54 ALA N N 54 119.577 119.577 121.611 -2.034 18485 3397 1 6 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.370 -0.130 18485 3398 1 6 . 1 1 54 54 ALA C C 54 177.657 177.657 176.697 0.960 18485 3399 1 6 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.629 0.759 18485 3400 1 6 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.641 -0.522 18485 3401 1 6 . 1 1 54 54 ALA H H 54 7.304 7.304 7.439 -0.135 18485 3402 1 6 . 1 1 55 55 HIS N N 55 114.383 114.383 117.055 -2.672 18485 3403 1 6 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.835 0.289 18485 3404 1 6 . 1 1 55 55 HIS C C 55 174.238 174.238 172.952 1.286 18485 3405 1 6 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.027 0.067 18485 3406 1 6 . 1 1 55 55 HIS CB C 55 33.789 33.789 31.993 1.796 18485 3407 1 6 . 1 1 55 55 HIS H H 55 6.894 6.894 7.747 -0.853 18485 3408 1 6 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.197 0.129 18485 3409 1 6 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.200 0.062 18485 3410 1 6 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.128 -0.087 18485 3411 1 6 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.697 0.290 18485 3412 1 6 . 1 1 57 57 VAL C C 57 177.804 177.804 177.835 -0.031 18485 3413 1 6 . 1 1 57 57 VAL CA C 57 65.327 65.327 65.579 -0.252 18485 3414 1 6 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.800 -0.579 18485 3415 1 6 . 1 1 57 57 VAL H H 57 9.778 9.778 7.493 2.285 18485 3416 1 6 . 1 1 58 58 VAL N N 58 120.641 120.641 119.023 1.618 18485 3417 1 6 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.658 -0.126 18485 3418 1 6 . 1 1 58 58 VAL C C 58 177.270 177.270 177.336 -0.066 18485 3419 1 6 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.352 -0.442 18485 3420 1 6 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.822 -0.400 18485 3421 1 6 . 1 1 58 58 VAL H H 58 7.540 7.540 7.850 -0.310 18485 3422 1 6 . 1 1 59 59 ARG N N 59 118.263 118.263 118.933 -0.670 18485 3423 1 6 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.047 -0.133 18485 3424 1 6 . 1 1 59 59 ARG C C 59 178.579 178.579 178.543 0.036 18485 3425 1 6 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.416 0.563 18485 3426 1 6 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.640 0.312 18485 3427 1 6 . 1 1 59 59 ARG H H 59 7.536 7.536 7.689 -0.153 18485 3428 1 6 . 1 1 60 60 SER N N 60 113.091 113.091 116.474 -3.383 18485 3429 1 6 . 1 1 60 60 SER HA H 60 4.161 4.161 4.125 0.036 18485 3430 1 6 . 1 1 60 60 SER C C 60 175.761 175.761 175.916 -0.155 18485 3431 1 6 . 1 1 60 60 SER CA C 60 61.435 61.435 61.027 0.408 18485 3432 1 6 . 1 1 60 60 SER CB C 60 62.721 62.721 63.018 -0.297 18485 3433 1 6 . 1 1 60 60 SER H H 60 8.204 8.204 8.418 -0.214 18485 3434 1 6 . 1 1 61 61 TYR N N 61 123.436 123.436 123.198 0.238 18485 3435 1 6 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.033 -0.151 18485 3436 1 6 . 1 1 61 61 TYR C C 61 177.731 177.731 176.868 0.863 18485 3437 1 6 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.899 0.129 18485 3438 1 6 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.204 0.951 18485 3439 1 6 . 1 1 61 61 TYR H H 61 8.024 8.024 7.402 0.622 18485 3440 1 6 . 1 1 62 62 VAL N N 62 115.253 115.253 114.865 0.388 18485 3441 1 6 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.428 0.101 18485 3442 1 6 . 1 1 62 62 VAL C C 62 176.990 176.990 177.749 -0.759 18485 3443 1 6 . 1 1 62 62 VAL CA C 62 65.224 65.224 65.009 0.215 18485 3444 1 6 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.270 0.166 18485 3445 1 6 . 1 1 62 62 VAL H H 62 7.754 7.754 7.294 0.460 18485 3446 1 6 . 1 1 63 63 LYS N N 63 117.543 117.543 120.149 -2.606 18485 3447 1 6 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.990 0.039 18485 3448 1 6 . 1 1 63 63 LYS C C 63 177.549 177.549 178.877 -1.328 18485 3449 1 6 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.990 -0.663 18485 3450 1 6 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.215 0.546 18485 3451 1 6 . 1 1 63 63 LYS H H 63 7.367 7.367 7.400 -0.033 18485 3452 1 6 . 1 1 64 64 GLU N N 64 116.093 116.093 115.958 0.135 18485 3453 1 6 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.278 -0.164 18485 3454 1 6 . 1 1 64 64 GLU C C 64 177.547 177.547 177.397 0.150 18485 3455 1 6 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.674 -0.169 18485 3456 1 6 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.485 -1.108 18485 3457 1 6 . 1 1 64 64 GLU H H 64 7.701 7.701 7.990 -0.289 18485 3458 1 6 . 1 1 65 65 VAL N N 65 116.739 116.739 118.650 -1.911 18485 3459 1 6 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.008 -0.173 18485 3460 1 6 . 1 1 65 65 VAL C C 65 176.335 176.335 177.298 -0.963 18485 3461 1 6 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.654 -0.158 18485 3462 1 6 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.258 -0.015 18485 3463 1 6 . 1 1 65 65 VAL H H 65 7.608 7.608 7.992 -0.384 18485 3464 1 6 . 1 1 66 66 SER N N 66 114.353 114.353 114.545 -0.192 18485 3465 1 6 . 1 1 66 66 SER HA H 66 4.230 4.230 4.286 -0.056 18485 3466 1 6 . 1 1 66 66 SER C C 66 174.345 174.345 175.064 -0.719 18485 3467 1 6 . 1 1 66 66 SER CA C 66 58.038 58.038 58.851 -0.813 18485 3468 1 6 . 1 1 66 66 SER CB C 66 63.898 63.898 64.156 -0.258 18485 3469 1 6 . 1 1 66 66 SER H H 66 7.526 7.526 7.547 -0.021 18485 3470 1 6 . 1 1 67 67 GLU N N 67 121.681 121.681 116.939 4.742 18485 3471 1 6 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.124 -0.259 18485 3472 1 6 . 1 1 67 67 GLU C C 67 175.748 175.748 175.582 0.166 18485 3473 1 6 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.157 0.688 18485 3474 1 6 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.805 1.575 18485 3475 1 6 . 1 1 67 67 GLU H H 67 7.966 7.966 7.926 0.040 18485 3476 1 6 . 1 1 68 68 TRP N N 68 119.264 119.264 121.532 -2.268 18485 3477 1 6 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.729 0.206 18485 3478 1 6 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.159 -1.303 18485 3479 1 6 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.998 0.719 18485 3480 1 6 . 1 1 68 68 TRP H H 68 7.633 7.633 7.187 0.446 18485 3481 1 6 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.269 0.173 18485 3482 1 6 . 1 1 69 69 PRO C C 69 176.375 176.375 175.947 0.428 18485 3483 1 6 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.956 -0.389 18485 3484 1 6 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.691 -0.178 18485 3485 1 6 . 1 1 70 70 THR N N 70 114.312 114.312 115.905 -1.593 18485 3486 1 6 . 1 1 70 70 THR HA H 70 4.344 4.344 4.352 -0.008 18485 3487 1 6 . 1 1 70 70 THR C C 70 172.275 172.275 173.846 -1.571 18485 3488 1 6 . 1 1 70 70 THR CA C 70 61.465 61.465 62.366 -0.901 18485 3489 1 6 . 1 1 70 70 THR CB C 70 70.433 70.433 69.977 0.456 18485 3490 1 6 . 1 1 70 70 THR H H 70 7.162 7.162 7.443 -0.281 18485 3491 1 6 . 1 1 71 71 ILE N N 71 123.770 123.770 124.157 -0.387 18485 3492 1 6 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.551 -0.049 18485 3493 1 6 . 1 1 71 71 ILE C C 71 175.106 175.106 174.987 0.119 18485 3494 1 6 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.356 -1.601 18485 3495 1 6 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.420 0.657 18485 3496 1 6 . 1 1 71 71 ILE H H 71 8.398 8.398 8.321 0.077 18485 3497 1 6 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.817 0.741 18485 3498 1 6 . 1 1 72 72 PRO C C 72 175.507 175.507 175.666 -0.159 18485 3499 1 6 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.721 -0.283 18485 3500 1 6 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.183 4.473 18485 3501 1 6 . 1 1 73 73 GLN N N 73 112.013 112.013 116.455 -4.442 18485 3502 1 6 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.404 -0.312 18485 3503 1 6 . 1 1 73 73 GLN C C 73 174.559 174.559 175.110 -0.551 18485 3504 1 6 . 1 1 73 73 GLN CA C 73 55.529 55.529 55.007 0.522 18485 3505 1 6 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.464 0.976 18485 3506 1 6 . 1 1 73 73 GLN H H 73 8.521 8.521 8.493 0.028 18485 3507 1 6 . 1 1 74 74 LEU N N 74 124.684 124.684 123.242 1.442 18485 3508 1 6 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.301 0.031 18485 3509 1 6 . 1 1 74 74 LEU C C 74 172.761 172.761 174.591 -1.830 18485 3510 1 6 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.839 0.716 18485 3511 1 6 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.033 1.010 18485 3512 1 6 . 1 1 74 74 LEU H H 74 8.266 8.266 8.746 -0.480 18485 3513 1 6 . 1 1 75 75 PHE N N 75 126.827 126.827 123.706 3.121 18485 3514 1 6 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.539 -0.296 18485 3515 1 6 . 1 1 75 75 PHE C C 75 174.813 174.813 174.835 -0.022 18485 3516 1 6 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.402 0.666 18485 3517 1 6 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.456 -0.807 18485 3518 1 6 . 1 1 75 75 PHE H H 75 9.692 9.692 9.436 0.256 18485 3519 1 6 . 1 1 76 76 ILE N N 76 118.421 118.421 121.803 -3.382 18485 3520 1 6 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.992 0.111 18485 3521 1 6 . 1 1 76 76 ILE C C 76 176.242 176.242 176.389 -0.147 18485 3522 1 6 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.044 0.149 18485 3523 1 6 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.284 0.241 18485 3524 1 6 . 1 1 76 76 ILE H H 76 8.612 8.612 9.216 -0.604 18485 3525 1 6 . 1 1 77 77 LYS N N 77 129.856 129.856 126.722 3.134 18485 3526 1 6 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.898 0.294 18485 3527 1 6 . 1 1 77 77 LYS C C 77 175.887 175.887 176.297 -0.410 18485 3528 1 6 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.556 -0.955 18485 3529 1 6 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.550 1.049 18485 3530 1 6 . 1 1 77 77 LYS H H 77 10.357 10.357 9.185 1.172 18485 3531 1 6 . 1 1 78 78 ALA N N 78 114.323 114.323 117.204 -2.881 18485 3532 1 6 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.094 -0.256 18485 3533 1 6 . 1 1 78 78 ALA C C 78 175.949 175.949 176.479 -0.530 18485 3534 1 6 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.605 -0.087 18485 3535 1 6 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.294 -0.059 18485 3536 1 6 . 1 1 78 78 ALA H H 78 9.554 9.554 8.739 0.815 18485 3537 1 6 . 1 1 79 79 GLU N N 79 120.498 120.498 118.717 1.781 18485 3538 1 6 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.801 -0.037 18485 3539 1 6 . 1 1 79 79 GLU C C 79 175.200 175.200 175.189 0.011 18485 3540 1 6 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.223 0.548 18485 3541 1 6 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.529 -0.527 18485 3542 1 6 . 1 1 79 79 GLU H H 79 8.219 8.219 7.742 0.477 18485 3543 1 6 . 1 1 80 80 PHE N N 80 125.962 125.962 125.238 0.724 18485 3544 1 6 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.667 -0.275 18485 3545 1 6 . 1 1 80 80 PHE C C 80 175.280 175.280 174.784 0.496 18485 3546 1 6 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.287 -0.028 18485 3547 1 6 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.121 -0.573 18485 3548 1 6 . 1 1 80 80 PHE H H 80 8.935 8.935 8.795 0.140 18485 3549 1 6 . 1 1 81 81 VAL N N 81 128.637 128.637 123.272 5.365 18485 3550 1 6 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.880 -0.111 18485 3551 1 6 . 1 1 81 81 VAL C C 81 174.733 174.733 174.579 0.154 18485 3552 1 6 . 1 1 81 81 VAL CA C 81 63.039 63.039 61.553 1.486 18485 3553 1 6 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.572 -0.934 18485 3554 1 6 . 1 1 81 81 VAL H H 81 8.288 8.288 7.924 0.364 18485 3555 1 6 . 1 1 82 82 GLY N N 82 100.310 100.310 105.105 -4.795 18485 3556 1 6 . 1 1 82 82 GLY C C 82 172.515 172.515 171.969 0.546 18485 3557 1 6 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.008 1.212 18485 3558 1 6 . 1 1 82 82 GLY H H 82 5.816 5.816 5.989 -0.173 18485 3559 1 6 . 1 1 83 83 GLY N N 83 104.342 104.342 105.632 -1.290 18485 3560 1 6 . 1 1 83 83 GLY C C 83 173.758 173.758 174.713 -0.955 18485 3561 1 6 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.419 0.404 18485 3562 1 6 . 1 1 83 83 GLY H H 83 7.401 7.401 8.248 -0.847 18485 3563 1 6 . 1 1 84 84 LEU N N 84 118.350 118.350 121.642 -3.292 18485 3564 1 6 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.142 -0.361 18485 3565 1 6 . 1 1 84 84 LEU C C 84 178.245 178.245 178.514 -0.269 18485 3566 1 6 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.865 0.389 18485 3567 1 6 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.596 1.006 18485 3568 1 6 . 1 1 84 84 LEU H H 84 8.807 8.807 8.789 0.018 18485 3569 1 6 . 1 1 85 85 ASP N N 85 118.373 118.373 118.656 -0.283 18485 3570 1 6 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.383 -0.117 18485 3571 1 6 . 1 1 85 85 ASP C C 85 178.296 178.296 178.439 -0.143 18485 3572 1 6 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.235 0.377 18485 3573 1 6 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.635 -1.136 18485 3574 1 6 . 1 1 85 85 ASP H H 85 8.697 8.697 8.462 0.235 18485 3575 1 6 . 1 1 86 86 ILE N N 86 120.495 120.495 119.363 1.132 18485 3576 1 6 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.860 -0.014 18485 3577 1 6 . 1 1 86 86 ILE C C 86 177.657 177.657 178.130 -0.473 18485 3578 1 6 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.640 -0.782 18485 3579 1 6 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.212 0.301 18485 3580 1 6 . 1 1 86 86 ILE H H 86 7.605 7.605 7.348 0.257 18485 3581 1 6 . 1 1 87 87 VAL N N 87 120.596 120.596 116.445 4.151 18485 3582 1 6 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.663 -0.356 18485 3583 1 6 . 1 1 87 87 VAL C C 87 177.629 177.629 177.726 -0.097 18485 3584 1 6 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.450 1.261 18485 3585 1 6 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.263 0.402 18485 3586 1 6 . 1 1 87 87 VAL H H 87 7.934 7.934 8.073 -0.139 18485 3587 1 6 . 1 1 88 88 THR N N 88 112.971 112.971 113.392 -0.421 18485 3588 1 6 . 1 1 88 88 THR HA H 88 3.822 3.822 4.064 -0.242 18485 3589 1 6 . 1 1 88 88 THR C C 88 176.896 176.896 176.531 0.365 18485 3590 1 6 . 1 1 88 88 THR CA C 88 66.898 66.898 65.919 0.979 18485 3591 1 6 . 1 1 88 88 THR CB C 88 68.370 68.370 68.436 -0.066 18485 3592 1 6 . 1 1 88 88 THR H H 88 8.719 8.719 7.871 0.848 18485 3593 1 6 . 1 1 89 89 LYS N N 89 123.633 123.633 123.012 0.621 18485 3594 1 6 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.003 0.146 18485 3595 1 6 . 1 1 89 89 LYS C C 89 179.648 179.648 178.668 0.980 18485 3596 1 6 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.893 -0.267 18485 3597 1 6 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.056 0.032 18485 3598 1 6 . 1 1 89 89 LYS H H 89 7.568 7.568 7.937 -0.369 18485 3599 1 6 . 1 1 90 90 MET N N 90 118.147 118.147 118.600 -0.453 18485 3600 1 6 . 1 1 90 90 MET HA H 90 4.333 4.333 4.108 0.225 18485 3601 1 6 . 1 1 90 90 MET C C 90 179.634 179.634 178.857 0.777 18485 3602 1 6 . 1 1 90 90 MET CA C 90 58.590 58.590 59.104 -0.514 18485 3603 1 6 . 1 1 90 90 MET CB C 90 34.033 34.033 32.419 1.614 18485 3604 1 6 . 1 1 90 90 MET H H 90 8.520 8.520 8.448 0.072 18485 3605 1 6 . 1 1 91 91 LEU N N 91 124.789 124.789 121.130 3.659 18485 3606 1 6 . 1 1 91 91 LEU HA H 91 4.200 4.200 4.028 0.172 18485 3607 1 6 . 1 1 91 91 LEU C C 91 179.696 179.696 179.344 0.352 18485 3608 1 6 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.781 0.300 18485 3609 1 6 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.765 0.096 18485 3610 1 6 . 1 1 91 91 LEU H H 91 8.792 8.792 7.904 0.888 18485 3611 1 6 . 1 1 92 92 GLU N N 92 118.965 118.965 119.933 -0.968 18485 3612 1 6 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.032 -0.015 18485 3613 1 6 . 1 1 92 92 GLU C C 92 178.352 178.352 178.565 -0.213 18485 3614 1 6 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.156 -0.078 18485 3615 1 6 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.724 -0.033 18485 3616 1 6 . 1 1 92 92 GLU H H 92 7.999 7.999 8.277 -0.278 18485 3617 1 6 . 1 1 93 93 SER N N 93 111.381 111.381 111.356 0.025 18485 3618 1 6 . 1 1 93 93 SER HA H 93 4.406 4.406 4.426 -0.020 18485 3619 1 6 . 1 1 93 93 SER C C 93 175.948 175.948 174.892 1.056 18485 3620 1 6 . 1 1 93 93 SER CA C 93 59.192 59.192 58.995 0.197 18485 3621 1 6 . 1 1 93 93 SER CB C 93 64.227 64.227 63.604 0.623 18485 3622 1 6 . 1 1 93 93 SER H H 93 8.270 8.270 8.212 0.058 18485 3623 1 6 . 1 1 94 94 GLY N N 94 109.172 109.172 109.284 -0.112 18485 3624 1 6 . 1 1 94 94 GLY C C 94 174.906 174.906 175.578 -0.672 18485 3625 1 6 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.456 -1.073 18485 3626 1 6 . 1 1 94 94 GLY H H 94 7.406 7.406 7.645 -0.239 18485 3627 1 6 . 1 1 95 95 ASP N N 95 122.640 122.640 121.395 1.245 18485 3628 1 6 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.344 0.135 18485 3629 1 6 . 1 1 95 95 ASP C C 95 178.486 178.486 177.216 1.270 18485 3630 1 6 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.496 0.755 18485 3631 1 6 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.506 0.864 18485 3632 1 6 . 1 1 95 95 ASP H H 95 8.337 8.337 8.355 -0.018 18485 3633 1 6 . 1 1 96 96 LEU N N 96 122.329 122.329 120.237 2.092 18485 3634 1 6 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.044 0.037 18485 3635 1 6 . 1 1 96 96 LEU C C 96 177.070 177.070 178.537 -1.467 18485 3636 1 6 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.926 0.034 18485 3637 1 6 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.911 -1.010 18485 3638 1 6 . 1 1 96 96 LEU H H 96 7.992 7.992 7.987 0.005 18485 3639 1 6 . 1 1 97 97 LYS N N 97 118.159 118.159 118.627 -0.468 18485 3640 1 6 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.953 -0.032 18485 3641 1 6 . 1 1 97 97 LYS C C 97 178.245 178.245 178.758 -0.513 18485 3642 1 6 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.749 0.351 18485 3643 1 6 . 1 1 97 97 LYS CB C 97 31.928 31.928 32.037 -0.109 18485 3644 1 6 . 1 1 97 97 LYS H H 97 8.254 8.254 7.884 0.370 18485 3645 1 6 . 1 1 98 98 LYS N N 98 117.677 117.677 120.607 -2.930 18485 3646 1 6 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.963 -0.026 18485 3647 1 6 . 1 1 98 98 LYS C C 98 177.471 177.471 178.744 -1.273 18485 3648 1 6 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.519 0.411 18485 3649 1 6 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.322 0.418 18485 3650 1 6 . 1 1 98 98 LYS H H 98 7.388 7.388 7.788 -0.400 18485 3651 1 6 . 1 1 99 99 MET N N 99 119.426 119.426 119.097 0.329 18485 3652 1 6 . 1 1 99 99 MET HA H 99 4.138 4.138 4.126 0.012 18485 3653 1 6 . 1 1 99 99 MET C C 99 178.018 178.018 178.594 -0.576 18485 3654 1 6 . 1 1 99 99 MET CA C 99 59.151 59.151 58.871 0.280 18485 3655 1 6 . 1 1 99 99 MET CB C 99 32.550 32.550 32.651 -0.101 18485 3656 1 6 . 1 1 99 99 MET H H 99 7.934 7.934 7.857 0.077 18485 3657 1 6 . 1 1 100 100 LEU N N 100 118.006 118.006 118.971 -0.965 18485 3658 1 6 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.846 -0.055 18485 3659 1 6 . 1 1 100 100 LEU C C 100 178.592 178.592 178.817 -0.225 18485 3660 1 6 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.152 0.450 18485 3661 1 6 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.365 -0.666 18485 3662 1 6 . 1 1 100 100 LEU H H 100 8.131 8.131 8.232 -0.101 18485 3663 1 6 . 1 1 101 101 ARG N N 101 118.551 118.551 118.895 -0.344 18485 3664 1 6 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.954 0.172 18485 3665 1 6 . 1 1 101 101 ARG C C 101 181.117 181.117 178.466 2.651 18485 3666 1 6 . 1 1 101 101 ARG CA C 101 59.277 59.277 59.095 0.182 18485 3667 1 6 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.648 0.144 18485 3668 1 6 . 1 1 101 101 ARG H H 101 8.045 8.045 8.192 -0.147 18485 3669 1 6 . 1 1 102 102 ASP N N 102 122.544 122.544 119.966 2.578 18485 3670 1 6 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.522 -0.117 18485 3671 1 6 . 1 1 102 102 ASP C C 102 178.405 178.405 177.758 0.647 18485 3672 1 6 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.178 1.124 18485 3673 1 6 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.714 -0.401 18485 3674 1 6 . 1 1 102 102 ASP H H 102 8.828 8.828 8.225 0.603 18485 3675 1 6 . 1 1 103 103 LYS N N 103 116.177 116.177 116.810 -0.633 18485 3676 1 6 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.414 -0.018 18485 3677 1 6 . 1 1 103 103 LYS C C 103 176.282 176.282 176.440 -0.158 18485 3678 1 6 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.071 0.253 18485 3679 1 6 . 1 1 103 103 LYS CB C 103 32.715 32.715 33.319 -0.604 18485 3680 1 6 . 1 1 103 103 LYS H H 103 7.847 7.847 8.056 -0.209 18485 3681 1 6 . 1 1 104 104 GLY N N 104 108.597 108.597 106.664 1.933 18485 3682 1 6 . 1 1 104 104 GLY C C 104 174.450 174.450 174.518 -0.068 18485 3683 1 6 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.190 1.133 18485 3684 1 6 . 1 1 104 104 GLY H H 104 7.930 7.930 7.568 0.362 18485 3685 1 6 . 1 1 105 105 ILE N N 105 123.232 123.232 120.743 2.489 18485 3686 1 6 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.294 -0.185 18485 3687 1 6 . 1 1 105 105 ILE C C 105 175.374 175.374 176.269 -0.895 18485 3688 1 6 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.530 0.113 18485 3689 1 6 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.147 -0.459 18485 3690 1 6 . 1 1 105 105 ILE H H 105 8.323 8.323 8.080 0.243 18485 3691 1 6 . 1 1 106 106 THR N N 106 123.522 123.522 123.444 0.078 18485 3692 1 6 . 1 1 106 106 THR HA H 106 4.155 4.155 4.235 -0.080 18485 3693 1 6 . 1 1 106 106 THR C C 106 173.223 173.223 173.597 -0.374 18485 3694 1 6 . 1 1 106 106 THR CA C 106 63.189 63.189 63.570 -0.381 18485 3695 1 6 . 1 1 106 106 THR CB C 106 69.242 69.242 68.144 1.098 18485 3696 1 6 . 1 1 106 106 THR H H 106 8.521 8.521 8.676 -0.155 18485 3697 1 6 . 1 1 107 107 CYS N N 107 120.688 120.688 123.236 -2.548 18485 3698 1 6 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.484 -0.617 18485 3699 1 6 . 1 1 107 107 CYS C C 107 173.798 173.798 173.950 -0.152 18485 3700 1 6 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.196 0.356 18485 3701 1 6 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.123 -0.661 18485 3702 1 6 . 1 1 107 107 CYS H H 107 8.247 8.247 8.166 0.081 18485 3703 1 6 . 1 1 108 108 ARG N N 108 122.349 122.349 120.377 1.972 18485 3704 1 6 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.226 0.065 18485 3705 1 6 . 1 1 108 108 ARG C C 108 175.547 175.547 176.230 -0.683 18485 3706 1 6 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.401 -0.101 18485 3707 1 6 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.287 0.989 18485 3708 1 6 . 1 1 108 108 ARG H H 108 8.512 8.512 8.294 0.218 18485 3709 1 6 . 1 1 109 109 ASP N N 109 121.453 121.453 121.355 0.098 18485 3710 1 6 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.466 0.159 18485 3711 1 6 . 1 1 109 109 ASP C C 109 174.973 174.973 176.510 -1.537 18485 3712 1 6 . 1 1 109 109 ASP CA C 109 54.239 54.239 54.994 -0.755 18485 3713 1 6 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.237 -0.281 18485 3714 1 6 . 1 1 109 109 ASP H H 109 8.399 8.399 8.403 -0.004 18485 3715 1 7 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.444 -0.032 18485 3716 1 7 . 1 1 2 2 ALA C C 2 177.283 177.283 176.336 0.947 18485 3717 1 7 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.745 0.540 18485 3718 1 7 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.705 -0.201 18485 3719 1 7 . 1 1 3 3 MET N N 3 121.052 121.052 120.608 0.444 18485 3720 1 7 . 1 1 3 3 MET HA H 3 4.458 4.458 4.936 -0.478 18485 3721 1 7 . 1 1 3 3 MET C C 3 175.185 175.185 175.025 0.160 18485 3722 1 7 . 1 1 3 3 MET CA C 3 56.001 56.001 54.875 1.126 18485 3723 1 7 . 1 1 3 3 MET CB C 3 34.282 34.282 34.727 -0.445 18485 3724 1 7 . 1 1 3 3 MET H H 3 8.313 8.313 8.312 0.001 18485 3725 1 7 . 1 1 4 4 VAL N N 4 116.976 116.976 120.125 -3.149 18485 3726 1 7 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.724 -0.082 18485 3727 1 7 . 1 1 4 4 VAL C C 4 176.976 176.976 176.322 0.654 18485 3728 1 7 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.493 0.259 18485 3729 1 7 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.307 0.571 18485 3730 1 7 . 1 1 4 4 VAL H H 4 8.432 8.432 8.763 -0.331 18485 3731 1 7 . 1 1 5 5 LYS N N 5 123.795 123.795 121.584 2.211 18485 3732 1 7 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.048 -0.462 18485 3733 1 7 . 1 1 5 5 LYS C C 5 178.205 178.205 178.327 -0.122 18485 3734 1 7 . 1 1 5 5 LYS CA C 5 61.062 61.062 60.053 1.008 18485 3735 1 7 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.080 0.144 18485 3736 1 7 . 1 1 5 5 LYS H H 5 8.725 8.725 8.703 0.022 18485 3737 1 7 . 1 1 6 6 LYS N N 6 117.559 117.559 118.216 -0.657 18485 3738 1 7 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.128 -0.054 18485 3739 1 7 . 1 1 6 6 LYS C C 6 176.976 176.976 178.569 -1.593 18485 3740 1 7 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.057 -0.038 18485 3741 1 7 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.657 1.001 18485 3742 1 7 . 1 1 6 6 LYS H H 6 8.395 8.395 8.433 -0.038 18485 3743 1 7 . 1 1 7 7 ASP N N 7 116.710 116.710 120.292 -3.582 18485 3744 1 7 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.473 -0.109 18485 3745 1 7 . 1 1 7 7 ASP C C 7 179.180 179.180 178.771 0.409 18485 3746 1 7 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.288 0.122 18485 3747 1 7 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.663 0.212 18485 3748 1 7 . 1 1 7 7 ASP H H 7 7.415 7.415 7.785 -0.370 18485 3749 1 7 . 1 1 8 8 ILE N N 8 120.990 120.990 120.879 0.111 18485 3750 1 7 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.475 -0.198 18485 3751 1 7 . 1 1 8 8 ILE C C 8 177.537 177.537 177.554 -0.017 18485 3752 1 7 . 1 1 8 8 ILE CA C 8 64.560 64.560 65.354 -0.794 18485 3753 1 7 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.330 -0.261 18485 3754 1 7 . 1 1 8 8 ILE H H 8 7.302 7.302 7.345 -0.043 18485 3755 1 7 . 1 1 9 9 ASP N N 9 120.214 120.214 120.675 -0.461 18485 3756 1 7 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.400 -0.193 18485 3757 1 7 . 1 1 9 9 ASP C C 9 178.564 178.564 178.414 0.150 18485 3758 1 7 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.558 0.450 18485 3759 1 7 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.039 0.843 18485 3760 1 7 . 1 1 9 9 ASP H H 9 7.884 7.884 8.301 -0.417 18485 3761 1 7 . 1 1 10 10 ASP N N 10 117.314 117.314 118.672 -1.358 18485 3762 1 7 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.566 -0.242 18485 3763 1 7 . 1 1 10 10 ASP C C 10 179.340 179.340 178.609 0.731 18485 3764 1 7 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.052 0.134 18485 3765 1 7 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.456 -0.543 18485 3766 1 7 . 1 1 10 10 ASP H H 10 8.856 8.856 8.469 0.387 18485 3767 1 7 . 1 1 11 11 THR N N 11 119.032 119.032 117.832 1.200 18485 3768 1 7 . 1 1 11 11 THR HA H 11 4.061 4.061 4.101 -0.040 18485 3769 1 7 . 1 1 11 11 THR C C 11 175.574 175.574 176.243 -0.669 18485 3770 1 7 . 1 1 11 11 THR CA C 11 67.210 67.210 66.852 0.358 18485 3771 1 7 . 1 1 11 11 THR CB C 11 68.319 68.319 68.740 -0.421 18485 3772 1 7 . 1 1 11 11 THR H H 11 7.670 7.670 7.554 0.116 18485 3773 1 7 . 1 1 12 12 ILE N N 12 122.228 122.228 121.129 1.099 18485 3774 1 7 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.680 -0.041 18485 3775 1 7 . 1 1 12 12 ILE C C 12 177.455 177.455 177.736 -0.281 18485 3776 1 7 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.771 0.138 18485 3777 1 7 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.365 0.213 18485 3778 1 7 . 1 1 12 12 ILE H H 12 8.303 8.303 8.397 -0.094 18485 3779 1 7 . 1 1 13 13 LYS N N 13 114.462 114.462 116.641 -2.179 18485 3780 1 7 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.190 -0.056 18485 3781 1 7 . 1 1 13 13 LYS C C 13 177.547 177.547 178.112 -0.565 18485 3782 1 7 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.786 -0.386 18485 3783 1 7 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.698 0.308 18485 3784 1 7 . 1 1 13 13 LYS H H 13 7.709 7.709 7.929 -0.220 18485 3785 1 7 . 1 1 14 14 SER N N 14 112.642 112.642 113.242 -0.600 18485 3786 1 7 . 1 1 14 14 SER HA H 14 4.551 4.551 4.467 0.084 18485 3787 1 7 . 1 1 14 14 SER C C 14 174.532 174.532 174.849 -0.317 18485 3788 1 7 . 1 1 14 14 SER CA C 14 59.744 59.744 59.717 0.027 18485 3789 1 7 . 1 1 14 14 SER CB C 14 65.009 65.009 64.103 0.906 18485 3790 1 7 . 1 1 14 14 SER H H 14 7.749 7.749 7.830 -0.081 18485 3791 1 7 . 1 1 15 15 GLU N N 15 121.266 121.266 121.151 0.115 18485 3792 1 7 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.357 0.207 18485 3793 1 7 . 1 1 15 15 GLU C C 15 176.789 176.789 176.364 0.425 18485 3794 1 7 . 1 1 15 15 GLU CA C 15 54.445 54.445 56.078 -1.633 18485 3795 1 7 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.560 -0.234 18485 3796 1 7 . 1 1 15 15 GLU H H 15 8.101 8.101 8.013 0.088 18485 3797 1 7 . 1 1 16 16 ASP N N 16 122.253 122.253 119.058 3.195 18485 3798 1 7 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.857 -0.517 18485 3799 1 7 . 1 1 16 16 ASP C C 16 176.469 176.469 175.451 1.018 18485 3800 1 7 . 1 1 16 16 ASP CA C 16 58.759 58.759 55.847 2.912 18485 3801 1 7 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.663 -1.845 18485 3802 1 7 . 1 1 16 16 ASP H H 16 8.685 8.685 8.765 -0.080 18485 3803 1 7 . 1 1 17 17 VAL N N 17 118.536 118.536 118.877 -0.341 18485 3804 1 7 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.908 0.007 18485 3805 1 7 . 1 1 17 17 VAL C C 17 174.452 174.452 174.089 0.363 18485 3806 1 7 . 1 1 17 17 VAL CA C 17 61.903 61.903 60.569 1.334 18485 3807 1 7 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.020 0.357 18485 3808 1 7 . 1 1 17 17 VAL H H 17 8.547 8.547 7.880 0.667 18485 3809 1 7 . 1 1 18 18 VAL N N 18 125.917 125.917 128.188 -2.271 18485 3810 1 7 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.116 0.139 18485 3811 1 7 . 1 1 18 18 VAL C C 18 174.158 174.158 174.509 -0.351 18485 3812 1 7 . 1 1 18 18 VAL CA C 18 60.102 60.102 61.081 -0.979 18485 3813 1 7 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.716 0.339 18485 3814 1 7 . 1 1 18 18 VAL H H 18 8.755 8.755 8.977 -0.222 18485 3815 1 7 . 1 1 19 19 THR N N 19 120.107 120.107 119.836 0.271 18485 3816 1 7 . 1 1 19 19 THR HA H 19 5.795 5.795 5.236 0.559 18485 3817 1 7 . 1 1 19 19 THR C C 19 171.126 171.126 172.802 -1.676 18485 3818 1 7 . 1 1 19 19 THR CA C 19 58.118 58.118 59.820 -1.702 18485 3819 1 7 . 1 1 19 19 THR CB C 19 72.547 72.547 71.619 0.928 18485 3820 1 7 . 1 1 19 19 THR H H 19 8.938 8.938 8.772 0.166 18485 3821 1 7 . 1 1 20 20 PHE N N 20 125.287 125.287 126.045 -0.758 18485 3822 1 7 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.525 -0.021 18485 3823 1 7 . 1 1 20 20 PHE C C 20 175.200 175.200 175.040 0.160 18485 3824 1 7 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.743 -0.245 18485 3825 1 7 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.180 0.481 18485 3826 1 7 . 1 1 20 20 PHE H H 20 8.230 8.230 8.728 -0.498 18485 3827 1 7 . 1 1 21 21 ILE N N 21 114.660 114.660 118.366 -3.706 18485 3828 1 7 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.863 -0.051 18485 3829 1 7 . 1 1 21 21 ILE C C 21 173.918 173.918 174.689 -0.771 18485 3830 1 7 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.014 0.349 18485 3831 1 7 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.447 1.373 18485 3832 1 7 . 1 1 21 21 ILE H H 21 9.042 9.042 9.328 -0.286 18485 3833 1 7 . 1 1 22 22 LYS N N 22 117.197 117.197 123.936 -6.739 18485 3834 1 7 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.375 0.228 18485 3835 1 7 . 1 1 22 22 LYS C C 22 175.935 175.935 176.132 -0.197 18485 3836 1 7 . 1 1 22 22 LYS CA C 22 56.698 56.698 56.331 0.367 18485 3837 1 7 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.076 2.117 18485 3838 1 7 . 1 1 22 22 LYS H H 22 8.581 8.581 8.928 -0.347 18485 3839 1 7 . 1 1 23 23 GLY N N 23 117.108 117.108 107.848 9.260 18485 3840 1 7 . 1 1 23 23 GLY C C 23 170.793 170.793 172.506 -1.713 18485 3841 1 7 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.767 -0.129 18485 3842 1 7 . 1 1 23 23 GLY H H 23 9.178 9.178 7.667 1.511 18485 3843 1 7 . 1 1 24 24 LEU N N 24 117.859 117.859 121.099 -3.240 18485 3844 1 7 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.637 0.223 18485 3845 1 7 . 1 1 24 24 LEU C C 24 176.709 176.709 175.894 0.815 18485 3846 1 7 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.703 -1.753 18485 3847 1 7 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.371 1.637 18485 3848 1 7 . 1 1 24 24 LEU H H 24 7.162 7.162 7.946 -0.784 18485 3849 1 7 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.460 -0.507 18485 3850 1 7 . 1 1 25 25 PRO C C 25 177.190 177.190 177.493 -0.303 18485 3851 1 7 . 1 1 25 25 PRO CA C 25 66.322 66.322 65.150 1.172 18485 3852 1 7 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.259 -0.535 18485 3853 1 7 . 1 1 26 26 GLU N N 26 111.260 111.260 117.226 -5.966 18485 3854 1 7 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.175 0.030 18485 3855 1 7 . 1 1 26 26 GLU C C 26 176.429 176.429 176.580 -0.151 18485 3856 1 7 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.836 -1.093 18485 3857 1 7 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.359 -0.661 18485 3858 1 7 . 1 1 26 26 GLU H H 26 8.807 8.807 8.302 0.505 18485 3859 1 7 . 1 1 27 27 ALA N N 27 122.547 122.547 123.438 -0.891 18485 3860 1 7 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.636 -0.049 18485 3861 1 7 . 1 1 27 27 ALA C C 27 172.342 172.342 174.980 -2.638 18485 3862 1 7 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.982 0.902 18485 3863 1 7 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.840 -0.145 18485 3864 1 7 . 1 1 27 27 ALA H H 27 7.856 7.856 7.769 0.087 18485 3865 1 7 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.634 0.008 18485 3866 1 7 . 1 1 28 28 PRO C C 28 178.512 178.512 176.342 2.170 18485 3867 1 7 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.606 0.500 18485 3868 1 7 . 1 1 28 28 PRO CB C 28 32.065 32.065 33.020 -0.956 18485 3869 1 7 . 1 1 29 29 MET N N 29 119.426 119.426 118.827 0.599 18485 3870 1 7 . 1 1 29 29 MET HA H 29 4.758 4.758 4.553 0.205 18485 3871 1 7 . 1 1 29 29 MET C C 29 175.374 175.374 176.499 -1.125 18485 3872 1 7 . 1 1 29 29 MET CA C 29 54.594 54.594 56.340 -1.746 18485 3873 1 7 . 1 1 29 29 MET CB C 29 33.036 33.036 32.852 0.184 18485 3874 1 7 . 1 1 29 29 MET H H 29 8.828 8.828 8.734 0.094 18485 3875 1 7 . 1 1 30 30 CYS N N 30 116.089 116.089 119.213 -3.124 18485 3876 1 7 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.650 0.202 18485 3877 1 7 . 1 1 30 30 CYS C C 30 176.028 176.028 174.724 1.304 18485 3878 1 7 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.166 1.559 18485 3879 1 7 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.268 1.991 18485 3880 1 7 . 1 1 30 30 CYS H H 30 7.455 7.455 7.625 -0.170 18485 3881 1 7 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.935 0.145 18485 3882 1 7 . 1 1 31 31 ALA C C 31 180.222 180.222 178.883 1.339 18485 3883 1 7 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.945 -0.251 18485 3884 1 7 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.064 0.617 18485 3885 1 7 . 1 1 32 32 TYR N N 32 121.972 121.972 117.994 3.978 18485 3886 1 7 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.211 0.122 18485 3887 1 7 . 1 1 32 32 TYR C C 32 178.673 178.673 178.082 0.591 18485 3888 1 7 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.322 -1.393 18485 3889 1 7 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.365 -0.328 18485 3890 1 7 . 1 1 32 32 TYR H H 32 8.846 8.846 7.806 1.040 18485 3891 1 7 . 1 1 33 33 SER N N 33 125.375 125.375 115.168 10.207 18485 3892 1 7 . 1 1 33 33 SER HA H 33 4.013 4.013 4.199 -0.186 18485 3893 1 7 . 1 1 33 33 SER C C 33 174.906 174.906 176.531 -1.625 18485 3894 1 7 . 1 1 33 33 SER CA C 33 64.417 64.417 61.161 3.256 18485 3895 1 7 . 1 1 33 33 SER CB C 33 62.687 62.687 62.610 0.077 18485 3896 1 7 . 1 1 33 33 SER H H 33 10.272 10.272 8.116 2.156 18485 3897 1 7 . 1 1 34 34 LYS N N 34 121.216 121.216 122.736 -1.520 18485 3898 1 7 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.026 -0.173 18485 3899 1 7 . 1 1 34 34 LYS C C 34 177.083 177.083 179.218 -2.135 18485 3900 1 7 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.083 0.580 18485 3901 1 7 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.133 0.017 18485 3902 1 7 . 1 1 34 34 LYS H H 34 8.024 8.024 7.803 0.221 18485 3903 1 7 . 1 1 35 35 ARG N N 35 117.269 117.269 119.224 -1.955 18485 3904 1 7 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.128 0.021 18485 3905 1 7 . 1 1 35 35 ARG C C 35 178.058 178.058 178.841 -0.783 18485 3906 1 7 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.254 0.722 18485 3907 1 7 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.769 -0.057 18485 3908 1 7 . 1 1 35 35 ARG H H 35 7.559 7.559 8.109 -0.550 18485 3909 1 7 . 1 1 36 36 MET N N 36 117.954 117.954 120.327 -2.373 18485 3910 1 7 . 1 1 36 36 MET HA H 36 4.068 4.068 4.157 -0.089 18485 3911 1 7 . 1 1 36 36 MET C C 36 176.963 176.963 177.798 -0.835 18485 3912 1 7 . 1 1 36 36 MET CA C 36 58.195 58.195 58.107 0.088 18485 3913 1 7 . 1 1 36 36 MET CB C 36 31.742 31.742 32.366 -0.624 18485 3914 1 7 . 1 1 36 36 MET H H 36 8.027 8.027 8.238 -0.211 18485 3915 1 7 . 1 1 37 37 ILE N N 37 118.650 118.650 119.073 -0.423 18485 3916 1 7 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.483 0.037 18485 3917 1 7 . 1 1 37 37 ILE C C 37 177.631 177.631 178.119 -0.488 18485 3918 1 7 . 1 1 37 37 ILE CA C 37 61.873 61.873 64.037 -2.164 18485 3919 1 7 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.379 -1.207 18485 3920 1 7 . 1 1 37 37 ILE H H 37 7.825 7.825 8.120 -0.295 18485 3921 1 7 . 1 1 38 38 ASP N N 38 119.229 119.229 120.438 -1.209 18485 3922 1 7 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.336 -0.006 18485 3923 1 7 . 1 1 38 38 ASP C C 38 180.208 180.208 178.611 1.597 18485 3924 1 7 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.642 -0.112 18485 3925 1 7 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.890 -0.920 18485 3926 1 7 . 1 1 38 38 ASP H H 38 8.629 8.629 8.279 0.350 18485 3927 1 7 . 1 1 39 39 VAL N N 39 121.475 121.475 120.013 1.462 18485 3928 1 7 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.676 -0.101 18485 3929 1 7 . 1 1 39 39 VAL C C 39 177.056 177.056 178.117 -1.061 18485 3930 1 7 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.390 0.420 18485 3931 1 7 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.457 0.038 18485 3932 1 7 . 1 1 39 39 VAL H H 39 7.879 7.879 7.517 0.362 18485 3933 1 7 . 1 1 40 40 LEU N N 40 118.145 118.145 119.204 -1.059 18485 3934 1 7 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.871 -0.097 18485 3935 1 7 . 1 1 40 40 LEU C C 40 179.794 179.794 178.933 0.861 18485 3936 1 7 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.078 0.086 18485 3937 1 7 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.104 -0.507 18485 3938 1 7 . 1 1 40 40 LEU H H 40 7.574 7.574 7.662 -0.088 18485 3939 1 7 . 1 1 41 41 GLU N N 41 116.305 116.305 119.130 -2.825 18485 3940 1 7 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.237 0.060 18485 3941 1 7 . 1 1 41 41 GLU C C 41 181.117 181.117 179.657 1.460 18485 3942 1 7 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.121 -0.569 18485 3943 1 7 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.785 -0.663 18485 3944 1 7 . 1 1 41 41 GLU H H 41 8.871 8.871 8.664 0.207 18485 3945 1 7 . 1 1 42 42 ALA N N 42 124.797 124.797 122.881 1.916 18485 3946 1 7 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.176 -0.011 18485 3947 1 7 . 1 1 42 42 ALA C C 42 180.275 180.275 178.924 1.351 18485 3948 1 7 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.653 0.327 18485 3949 1 7 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.825 -1.166 18485 3950 1 7 . 1 1 42 42 ALA H H 42 8.285 8.285 8.422 -0.137 18485 3951 1 7 . 1 1 43 43 LEU N N 43 115.767 115.767 115.975 -0.208 18485 3952 1 7 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.406 -0.157 18485 3953 1 7 . 1 1 43 43 LEU C C 43 177.177 177.177 176.995 0.182 18485 3954 1 7 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.578 0.828 18485 3955 1 7 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.045 1.438 18485 3956 1 7 . 1 1 43 43 LEU H H 43 7.528 7.528 7.764 -0.236 18485 3957 1 7 . 1 1 44 44 GLY N N 44 108.593 108.593 106.596 1.997 18485 3958 1 7 . 1 1 44 44 GLY C C 44 175.011 175.011 174.568 0.443 18485 3959 1 7 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.282 1.060 18485 3960 1 7 . 1 1 44 44 GLY H H 44 7.927 7.927 7.594 0.333 18485 3961 1 7 . 1 1 45 45 LEU N N 45 117.269 117.269 118.054 -0.785 18485 3962 1 7 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.854 -0.402 18485 3963 1 7 . 1 1 45 45 LEU C C 45 176.976 176.976 176.906 0.070 18485 3964 1 7 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.939 0.461 18485 3965 1 7 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.885 -0.169 18485 3966 1 7 . 1 1 45 45 LEU H H 45 7.482 7.482 7.790 -0.308 18485 3967 1 7 . 1 1 46 46 GLU N N 46 121.177 121.177 120.316 0.861 18485 3968 1 7 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.534 -0.071 18485 3969 1 7 . 1 1 46 46 GLU C C 46 176.135 176.135 174.907 1.228 18485 3970 1 7 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.484 0.040 18485 3971 1 7 . 1 1 46 46 GLU CB C 46 30.233 30.233 31.709 -1.476 18485 3972 1 7 . 1 1 46 46 GLU H H 46 8.250 8.250 8.720 -0.470 18485 3973 1 7 . 1 1 47 47 TYR N N 47 119.617 119.617 119.534 0.083 18485 3974 1 7 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.315 -0.017 18485 3975 1 7 . 1 1 47 47 TYR C C 47 173.798 173.798 174.581 -0.783 18485 3976 1 7 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.530 0.294 18485 3977 1 7 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.247 0.824 18485 3978 1 7 . 1 1 47 47 TYR H H 47 7.874 7.874 7.868 0.006 18485 3979 1 7 . 1 1 48 48 THR N N 48 117.577 117.577 117.559 0.018 18485 3980 1 7 . 1 1 48 48 THR HA H 48 4.266 4.266 4.509 -0.243 18485 3981 1 7 . 1 1 48 48 THR C C 48 171.941 171.941 173.040 -1.099 18485 3982 1 7 . 1 1 48 48 THR CA C 48 62.299 62.299 61.576 0.723 18485 3983 1 7 . 1 1 48 48 THR CB C 48 70.899 70.899 71.457 -0.558 18485 3984 1 7 . 1 1 48 48 THR H H 48 8.549 8.549 8.484 0.065 18485 3985 1 7 . 1 1 49 49 SER N N 49 121.488 121.488 120.485 1.003 18485 3986 1 7 . 1 1 49 49 SER HA H 49 5.516 5.516 5.074 0.442 18485 3987 1 7 . 1 1 49 49 SER C C 49 173.691 173.691 173.169 0.522 18485 3988 1 7 . 1 1 49 49 SER CA C 49 55.758 55.758 56.730 -0.972 18485 3989 1 7 . 1 1 49 49 SER CB C 49 66.386 66.386 64.530 1.856 18485 3990 1 7 . 1 1 49 49 SER H H 49 8.536 8.536 8.378 0.158 18485 3991 1 7 . 1 1 50 50 PHE N N 50 124.791 124.791 125.059 -0.268 18485 3992 1 7 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.697 0.018 18485 3993 1 7 . 1 1 50 50 PHE C C 50 173.608 173.608 174.367 -0.759 18485 3994 1 7 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.945 0.394 18485 3995 1 7 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.878 0.651 18485 3996 1 7 . 1 1 50 50 PHE H H 50 8.627 8.627 8.982 -0.355 18485 3997 1 7 . 1 1 51 51 ASP N N 51 120.606 120.606 122.936 -2.330 18485 3998 1 7 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.545 -0.175 18485 3999 1 7 . 1 1 51 51 ASP C C 51 178.779 178.779 177.965 0.814 18485 4000 1 7 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.465 -0.231 18485 4001 1 7 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.167 1.008 18485 4002 1 7 . 1 1 51 51 ASP H H 51 8.415 8.415 8.688 -0.273 18485 4003 1 7 . 1 1 52 52 VAL N N 52 119.623 119.623 117.800 1.823 18485 4004 1 7 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.077 0.029 18485 4005 1 7 . 1 1 52 52 VAL C C 52 176.682 176.682 176.251 0.431 18485 4006 1 7 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.452 -1.125 18485 4007 1 7 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.933 -0.159 18485 4008 1 7 . 1 1 52 52 VAL H H 52 9.307 9.307 8.496 0.811 18485 4009 1 7 . 1 1 53 53 LEU N N 53 118.392 118.392 118.964 -0.572 18485 4010 1 7 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.404 -0.146 18485 4011 1 7 . 1 1 53 53 LEU C C 53 179.153 179.153 177.756 1.397 18485 4012 1 7 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.894 -0.131 18485 4013 1 7 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.913 -0.878 18485 4014 1 7 . 1 1 53 53 LEU H H 53 9.008 9.008 8.141 0.867 18485 4015 1 7 . 1 1 54 54 ALA N N 54 119.577 119.577 120.806 -1.229 18485 4016 1 7 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.379 -0.139 18485 4017 1 7 . 1 1 54 54 ALA C C 54 177.657 177.657 177.256 0.401 18485 4018 1 7 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.101 0.287 18485 4019 1 7 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.577 -0.458 18485 4020 1 7 . 1 1 54 54 ALA H H 54 7.304 7.304 7.643 -0.339 18485 4021 1 7 . 1 1 55 55 HIS N N 55 114.383 114.383 117.238 -2.855 18485 4022 1 7 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.855 0.269 18485 4023 1 7 . 1 1 55 55 HIS C C 55 174.238 174.238 173.062 1.176 18485 4024 1 7 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.556 -0.462 18485 4025 1 7 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.362 1.427 18485 4026 1 7 . 1 1 55 55 HIS H H 55 6.894 6.894 7.929 -1.035 18485 4027 1 7 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.171 0.155 18485 4028 1 7 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.322 -0.060 18485 4029 1 7 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.241 -0.200 18485 4030 1 7 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.676 0.311 18485 4031 1 7 . 1 1 57 57 VAL C C 57 177.804 177.804 177.859 -0.055 18485 4032 1 7 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.270 -0.943 18485 4033 1 7 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.290 -0.069 18485 4034 1 7 . 1 1 57 57 VAL H H 57 9.778 9.778 8.093 1.685 18485 4035 1 7 . 1 1 58 58 VAL N N 58 120.641 120.641 119.105 1.536 18485 4036 1 7 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.692 -0.160 18485 4037 1 7 . 1 1 58 58 VAL C C 58 177.270 177.270 177.890 -0.620 18485 4038 1 7 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.928 -1.018 18485 4039 1 7 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.039 0.383 18485 4040 1 7 . 1 1 58 58 VAL H H 58 7.540 7.540 8.176 -0.636 18485 4041 1 7 . 1 1 59 59 ARG N N 59 118.263 118.263 118.961 -0.698 18485 4042 1 7 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.120 -0.206 18485 4043 1 7 . 1 1 59 59 ARG C C 59 178.579 178.579 178.526 0.053 18485 4044 1 7 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.140 0.839 18485 4045 1 7 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.507 0.445 18485 4046 1 7 . 1 1 59 59 ARG H H 59 7.536 7.536 7.718 -0.182 18485 4047 1 7 . 1 1 60 60 SER N N 60 113.091 113.091 117.814 -4.723 18485 4048 1 7 . 1 1 60 60 SER HA H 60 4.161 4.161 4.088 0.073 18485 4049 1 7 . 1 1 60 60 SER C C 60 175.761 175.761 176.385 -0.624 18485 4050 1 7 . 1 1 60 60 SER CA C 60 61.435 61.435 61.694 -0.258 18485 4051 1 7 . 1 1 60 60 SER CB C 60 62.721 62.721 63.087 -0.366 18485 4052 1 7 . 1 1 60 60 SER H H 60 8.204 8.204 8.506 -0.302 18485 4053 1 7 . 1 1 61 61 TYR N N 61 123.436 123.436 122.775 0.661 18485 4054 1 7 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.003 -0.121 18485 4055 1 7 . 1 1 61 61 TYR C C 61 177.731 177.731 177.031 0.700 18485 4056 1 7 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.913 0.115 18485 4057 1 7 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.436 0.719 18485 4058 1 7 . 1 1 61 61 TYR H H 61 8.024 8.024 8.146 -0.122 18485 4059 1 7 . 1 1 62 62 VAL N N 62 115.253 115.253 118.896 -3.643 18485 4060 1 7 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.367 0.162 18485 4061 1 7 . 1 1 62 62 VAL C C 62 176.990 176.990 178.119 -1.129 18485 4062 1 7 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.060 -0.836 18485 4063 1 7 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.429 0.007 18485 4064 1 7 . 1 1 62 62 VAL H H 62 7.754 7.754 7.500 0.254 18485 4065 1 7 . 1 1 63 63 LYS N N 63 117.543 117.543 118.141 -0.598 18485 4066 1 7 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.993 0.036 18485 4067 1 7 . 1 1 63 63 LYS C C 63 177.549 177.549 179.082 -1.533 18485 4068 1 7 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.666 -0.339 18485 4069 1 7 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.072 0.689 18485 4070 1 7 . 1 1 63 63 LYS H H 63 7.367 7.367 7.763 -0.396 18485 4071 1 7 . 1 1 64 64 GLU N N 64 116.093 116.093 116.739 -0.646 18485 4072 1 7 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.241 -0.127 18485 4073 1 7 . 1 1 64 64 GLU C C 64 177.547 177.547 177.999 -0.452 18485 4074 1 7 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.934 -0.428 18485 4075 1 7 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.081 -0.704 18485 4076 1 7 . 1 1 64 64 GLU H H 64 7.701 7.701 7.625 0.076 18485 4077 1 7 . 1 1 65 65 VAL N N 65 116.739 116.739 117.851 -1.112 18485 4078 1 7 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.052 -0.217 18485 4079 1 7 . 1 1 65 65 VAL C C 65 176.335 176.335 177.036 -0.701 18485 4080 1 7 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.393 0.103 18485 4081 1 7 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.524 -0.281 18485 4082 1 7 . 1 1 65 65 VAL H H 65 7.608 7.608 8.041 -0.433 18485 4083 1 7 . 1 1 66 66 SER N N 66 114.353 114.353 115.395 -1.042 18485 4084 1 7 . 1 1 66 66 SER HA H 66 4.230 4.230 4.156 0.074 18485 4085 1 7 . 1 1 66 66 SER C C 66 174.345 174.345 174.677 -0.332 18485 4086 1 7 . 1 1 66 66 SER CA C 66 58.038 58.038 59.512 -1.474 18485 4087 1 7 . 1 1 66 66 SER CB C 66 63.898 63.898 63.793 0.105 18485 4088 1 7 . 1 1 66 66 SER H H 66 7.526 7.526 7.708 -0.182 18485 4089 1 7 . 1 1 67 67 GLU N N 67 121.681 121.681 115.451 6.230 18485 4090 1 7 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.026 -0.161 18485 4091 1 7 . 1 1 67 67 GLU C C 67 175.748 175.748 175.027 0.721 18485 4092 1 7 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.395 0.450 18485 4093 1 7 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.679 1.701 18485 4094 1 7 . 1 1 67 67 GLU H H 67 7.966 7.966 7.879 0.087 18485 4095 1 7 . 1 1 68 68 TRP N N 68 119.264 119.264 119.751 -0.487 18485 4096 1 7 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.996 -0.061 18485 4097 1 7 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.482 -0.626 18485 4098 1 7 . 1 1 68 68 TRP CB C 68 30.717 30.717 31.939 -1.222 18485 4099 1 7 . 1 1 68 68 TRP H H 68 7.633 7.633 7.495 0.138 18485 4100 1 7 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.339 0.103 18485 4101 1 7 . 1 1 69 69 PRO C C 69 176.375 176.375 176.630 -0.255 18485 4102 1 7 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.688 -0.121 18485 4103 1 7 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.651 -0.138 18485 4104 1 7 . 1 1 70 70 THR N N 70 114.312 114.312 115.801 -1.489 18485 4105 1 7 . 1 1 70 70 THR HA H 70 4.344 4.344 4.308 0.036 18485 4106 1 7 . 1 1 70 70 THR C C 70 172.275 172.275 174.595 -2.320 18485 4107 1 7 . 1 1 70 70 THR CA C 70 61.465 61.465 63.010 -1.545 18485 4108 1 7 . 1 1 70 70 THR CB C 70 70.433 70.433 69.686 0.747 18485 4109 1 7 . 1 1 70 70 THR H H 70 7.162 7.162 7.588 -0.426 18485 4110 1 7 . 1 1 71 71 ILE N N 71 123.770 123.770 125.110 -1.340 18485 4111 1 7 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.547 -0.045 18485 4112 1 7 . 1 1 71 71 ILE C C 71 175.106 175.106 175.096 0.010 18485 4113 1 7 . 1 1 71 71 ILE CA C 71 55.755 55.755 56.948 -1.193 18485 4114 1 7 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.351 1.726 18485 4115 1 7 . 1 1 71 71 ILE H H 71 8.398 8.398 8.246 0.152 18485 4116 1 7 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.944 0.614 18485 4117 1 7 . 1 1 72 72 PRO C C 72 175.507 175.507 175.742 -0.235 18485 4118 1 7 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.411 0.027 18485 4119 1 7 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.184 4.472 18485 4120 1 7 . 1 1 73 73 GLN N N 73 112.013 112.013 116.121 -4.108 18485 4121 1 7 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.389 -0.297 18485 4122 1 7 . 1 1 73 73 GLN C C 73 174.559 174.559 174.794 -0.235 18485 4123 1 7 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.930 0.599 18485 4124 1 7 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.840 0.600 18485 4125 1 7 . 1 1 73 73 GLN H H 73 8.521 8.521 8.666 -0.145 18485 4126 1 7 . 1 1 74 74 LEU N N 74 124.684 124.684 122.072 2.612 18485 4127 1 7 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.258 0.074 18485 4128 1 7 . 1 1 74 74 LEU C C 74 172.761 172.761 174.603 -1.842 18485 4129 1 7 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.939 0.616 18485 4130 1 7 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.160 0.883 18485 4131 1 7 . 1 1 74 74 LEU H H 74 8.266 8.266 8.908 -0.642 18485 4132 1 7 . 1 1 75 75 PHE N N 75 126.827 126.827 124.588 2.239 18485 4133 1 7 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.444 -0.201 18485 4134 1 7 . 1 1 75 75 PHE C C 75 174.813 174.813 174.842 -0.029 18485 4135 1 7 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.463 0.605 18485 4136 1 7 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.199 -0.550 18485 4137 1 7 . 1 1 75 75 PHE H H 75 9.692 9.692 9.452 0.240 18485 4138 1 7 . 1 1 76 76 ILE N N 76 118.421 118.421 121.816 -3.395 18485 4139 1 7 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.050 0.053 18485 4140 1 7 . 1 1 76 76 ILE C C 76 176.242 176.242 176.391 -0.149 18485 4141 1 7 . 1 1 76 76 ILE CA C 76 59.193 59.193 58.897 0.297 18485 4142 1 7 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.456 0.069 18485 4143 1 7 . 1 1 76 76 ILE H H 76 8.612 8.612 8.985 -0.373 18485 4144 1 7 . 1 1 77 77 LYS N N 77 129.856 129.856 125.582 4.274 18485 4145 1 7 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.923 0.269 18485 4146 1 7 . 1 1 77 77 LYS C C 77 175.887 175.887 176.360 -0.473 18485 4147 1 7 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.233 -0.632 18485 4148 1 7 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.397 1.202 18485 4149 1 7 . 1 1 77 77 LYS H H 77 10.357 10.357 9.120 1.237 18485 4150 1 7 . 1 1 78 78 ALA N N 78 114.323 114.323 116.886 -2.563 18485 4151 1 7 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.020 -0.182 18485 4152 1 7 . 1 1 78 78 ALA C C 78 175.949 175.949 176.367 -0.418 18485 4153 1 7 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.731 -0.213 18485 4154 1 7 . 1 1 78 78 ALA CB C 78 18.235 18.235 17.999 0.236 18485 4155 1 7 . 1 1 78 78 ALA H H 78 9.554 9.554 8.880 0.674 18485 4156 1 7 . 1 1 79 79 GLU N N 79 120.498 120.498 117.913 2.585 18485 4157 1 7 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.825 -0.061 18485 4158 1 7 . 1 1 79 79 GLU C C 79 175.200 175.200 174.605 0.595 18485 4159 1 7 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.125 0.646 18485 4160 1 7 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.638 -1.636 18485 4161 1 7 . 1 1 79 79 GLU H H 79 8.219 8.219 7.880 0.339 18485 4162 1 7 . 1 1 80 80 PHE N N 80 125.962 125.962 122.839 3.123 18485 4163 1 7 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.284 0.108 18485 4164 1 7 . 1 1 80 80 PHE C C 80 175.280 175.280 174.565 0.715 18485 4165 1 7 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.387 -0.128 18485 4166 1 7 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.906 -0.358 18485 4167 1 7 . 1 1 80 80 PHE H H 80 8.935 8.935 8.594 0.341 18485 4168 1 7 . 1 1 81 81 VAL N N 81 128.637 128.637 126.202 2.435 18485 4169 1 7 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.965 -0.196 18485 4170 1 7 . 1 1 81 81 VAL C C 81 174.733 174.733 174.784 -0.051 18485 4171 1 7 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.670 0.369 18485 4172 1 7 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.271 -0.633 18485 4173 1 7 . 1 1 81 81 VAL H H 81 8.288 8.288 8.220 0.068 18485 4174 1 7 . 1 1 82 82 GLY N N 82 100.310 100.310 104.075 -3.765 18485 4175 1 7 . 1 1 82 82 GLY C C 82 172.515 172.515 172.359 0.156 18485 4176 1 7 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.088 1.132 18485 4177 1 7 . 1 1 82 82 GLY H H 82 5.816 5.816 6.727 -0.911 18485 4178 1 7 . 1 1 83 83 GLY N N 83 104.342 104.342 106.006 -1.664 18485 4179 1 7 . 1 1 83 83 GLY C C 83 173.758 173.758 174.843 -1.085 18485 4180 1 7 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.646 0.177 18485 4181 1 7 . 1 1 83 83 GLY H H 83 7.401 7.401 8.252 -0.851 18485 4182 1 7 . 1 1 84 84 LEU N N 84 118.350 118.350 121.494 -3.144 18485 4183 1 7 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.140 -0.359 18485 4184 1 7 . 1 1 84 84 LEU C C 84 178.245 178.245 178.686 -0.441 18485 4185 1 7 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.922 0.332 18485 4186 1 7 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.567 1.035 18485 4187 1 7 . 1 1 84 84 LEU H H 84 8.807 8.807 8.502 0.305 18485 4188 1 7 . 1 1 85 85 ASP N N 85 118.373 118.373 118.695 -0.322 18485 4189 1 7 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.391 -0.126 18485 4190 1 7 . 1 1 85 85 ASP C C 85 178.296 178.296 178.442 -0.146 18485 4191 1 7 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.370 0.242 18485 4192 1 7 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.633 -1.134 18485 4193 1 7 . 1 1 85 85 ASP H H 85 8.697 8.697 8.516 0.181 18485 4194 1 7 . 1 1 86 86 ILE N N 86 120.495 120.495 118.693 1.802 18485 4195 1 7 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.868 -0.022 18485 4196 1 7 . 1 1 86 86 ILE C C 86 177.657 177.657 178.217 -0.560 18485 4197 1 7 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.788 -0.930 18485 4198 1 7 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.124 0.389 18485 4199 1 7 . 1 1 86 86 ILE H H 86 7.605 7.605 7.227 0.378 18485 4200 1 7 . 1 1 87 87 VAL N N 87 120.596 120.596 116.454 4.142 18485 4201 1 7 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.740 -0.433 18485 4202 1 7 . 1 1 87 87 VAL C C 87 177.629 177.629 177.553 0.076 18485 4203 1 7 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.474 1.237 18485 4204 1 7 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.826 0.839 18485 4205 1 7 . 1 1 87 87 VAL H H 87 7.934 7.934 7.804 0.130 18485 4206 1 7 . 1 1 88 88 THR N N 88 112.971 112.971 112.816 0.155 18485 4207 1 7 . 1 1 88 88 THR HA H 88 3.822 3.822 3.995 -0.173 18485 4208 1 7 . 1 1 88 88 THR C C 88 176.896 176.896 176.671 0.225 18485 4209 1 7 . 1 1 88 88 THR CA C 88 66.898 66.898 66.026 0.872 18485 4210 1 7 . 1 1 88 88 THR CB C 88 68.370 68.370 68.642 -0.272 18485 4211 1 7 . 1 1 88 88 THR H H 88 8.719 8.719 7.770 0.949 18485 4212 1 7 . 1 1 89 89 LYS N N 89 123.633 123.633 122.834 0.799 18485 4213 1 7 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.033 0.116 18485 4214 1 7 . 1 1 89 89 LYS C C 89 179.648 179.648 179.115 0.533 18485 4215 1 7 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.183 0.443 18485 4216 1 7 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.109 -0.021 18485 4217 1 7 . 1 1 89 89 LYS H H 89 7.568 7.568 8.086 -0.518 18485 4218 1 7 . 1 1 90 90 MET N N 90 118.147 118.147 119.246 -1.099 18485 4219 1 7 . 1 1 90 90 MET HA H 90 4.333 4.333 4.234 0.099 18485 4220 1 7 . 1 1 90 90 MET C C 90 179.634 179.634 179.065 0.569 18485 4221 1 7 . 1 1 90 90 MET CA C 90 58.590 58.590 59.158 -0.568 18485 4222 1 7 . 1 1 90 90 MET CB C 90 34.033 34.033 32.762 1.271 18485 4223 1 7 . 1 1 90 90 MET H H 90 8.520 8.520 8.445 0.075 18485 4224 1 7 . 1 1 91 91 LEU N N 91 124.789 124.789 122.057 2.732 18485 4225 1 7 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.933 0.267 18485 4226 1 7 . 1 1 91 91 LEU C C 91 179.696 179.696 178.640 1.056 18485 4227 1 7 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.719 0.362 18485 4228 1 7 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.880 -0.019 18485 4229 1 7 . 1 1 91 91 LEU H H 91 8.792 8.792 7.981 0.811 18485 4230 1 7 . 1 1 92 92 GLU N N 92 118.965 118.965 118.121 0.844 18485 4231 1 7 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.037 -0.020 18485 4232 1 7 . 1 1 92 92 GLU C C 92 178.352 178.352 178.673 -0.321 18485 4233 1 7 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.856 0.222 18485 4234 1 7 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.789 -0.098 18485 4235 1 7 . 1 1 92 92 GLU H H 92 7.999 7.999 8.346 -0.347 18485 4236 1 7 . 1 1 93 93 SER N N 93 111.381 111.381 112.365 -0.984 18485 4237 1 7 . 1 1 93 93 SER HA H 93 4.406 4.406 4.435 -0.029 18485 4238 1 7 . 1 1 93 93 SER C C 93 175.948 175.948 175.732 0.216 18485 4239 1 7 . 1 1 93 93 SER CA C 93 59.192 59.192 58.843 0.350 18485 4240 1 7 . 1 1 93 93 SER CB C 93 64.227 64.227 64.309 -0.082 18485 4241 1 7 . 1 1 93 93 SER H H 93 8.270 8.270 8.115 0.155 18485 4242 1 7 . 1 1 94 94 GLY N N 94 109.172 109.172 110.351 -1.179 18485 4243 1 7 . 1 1 94 94 GLY C C 94 174.906 174.906 175.467 -0.561 18485 4244 1 7 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.657 -0.274 18485 4245 1 7 . 1 1 94 94 GLY H H 94 7.406 7.406 7.514 -0.108 18485 4246 1 7 . 1 1 95 95 ASP N N 95 122.640 122.640 122.376 0.264 18485 4247 1 7 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.489 -0.010 18485 4248 1 7 . 1 1 95 95 ASP C C 95 178.486 178.486 177.573 0.913 18485 4249 1 7 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.839 0.412 18485 4250 1 7 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.906 0.465 18485 4251 1 7 . 1 1 95 95 ASP H H 95 8.337 8.337 7.653 0.684 18485 4252 1 7 . 1 1 96 96 LEU N N 96 122.329 122.329 120.319 2.010 18485 4253 1 7 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.097 -0.016 18485 4254 1 7 . 1 1 96 96 LEU C C 96 177.070 177.070 178.293 -1.223 18485 4255 1 7 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.502 -0.541 18485 4256 1 7 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.518 -0.616 18485 4257 1 7 . 1 1 96 96 LEU H H 96 7.992 7.992 8.041 -0.049 18485 4258 1 7 . 1 1 97 97 LYS N N 97 118.159 118.159 118.348 -0.189 18485 4259 1 7 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.886 0.035 18485 4260 1 7 . 1 1 97 97 LYS C C 97 178.245 178.245 179.106 -0.861 18485 4261 1 7 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.878 0.222 18485 4262 1 7 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.905 0.023 18485 4263 1 7 . 1 1 97 97 LYS H H 97 8.254 8.254 7.731 0.523 18485 4264 1 7 . 1 1 98 98 LYS N N 98 117.677 117.677 120.266 -2.589 18485 4265 1 7 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.017 -0.080 18485 4266 1 7 . 1 1 98 98 LYS C C 98 177.471 177.471 178.859 -1.388 18485 4267 1 7 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.396 0.534 18485 4268 1 7 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.444 0.296 18485 4269 1 7 . 1 1 98 98 LYS H H 98 7.388 7.388 7.970 -0.582 18485 4270 1 7 . 1 1 99 99 MET N N 99 119.426 119.426 119.118 0.308 18485 4271 1 7 . 1 1 99 99 MET HA H 99 4.138 4.138 4.113 0.025 18485 4272 1 7 . 1 1 99 99 MET C C 99 178.018 178.018 178.240 -0.222 18485 4273 1 7 . 1 1 99 99 MET CA C 99 59.151 59.151 58.817 0.334 18485 4274 1 7 . 1 1 99 99 MET CB C 99 32.550 32.550 32.483 0.067 18485 4275 1 7 . 1 1 99 99 MET H H 99 7.934 7.934 8.173 -0.239 18485 4276 1 7 . 1 1 100 100 LEU N N 100 118.006 118.006 119.073 -1.067 18485 4277 1 7 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.853 -0.062 18485 4278 1 7 . 1 1 100 100 LEU C C 100 178.592 178.592 178.789 -0.197 18485 4279 1 7 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.162 0.440 18485 4280 1 7 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.307 -0.607 18485 4281 1 7 . 1 1 100 100 LEU H H 100 8.131 8.131 7.775 0.356 18485 4282 1 7 . 1 1 101 101 ARG N N 101 118.551 118.551 118.509 0.042 18485 4283 1 7 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.978 0.148 18485 4284 1 7 . 1 1 101 101 ARG C C 101 181.117 181.117 178.336 2.781 18485 4285 1 7 . 1 1 101 101 ARG CA C 101 59.277 59.277 59.012 0.265 18485 4286 1 7 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.532 0.260 18485 4287 1 7 . 1 1 101 101 ARG H H 101 8.045 8.045 7.535 0.510 18485 4288 1 7 . 1 1 102 102 ASP N N 102 122.544 122.544 120.326 2.218 18485 4289 1 7 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.462 -0.057 18485 4290 1 7 . 1 1 102 102 ASP C C 102 178.405 178.405 178.028 0.377 18485 4291 1 7 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.610 0.692 18485 4292 1 7 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.027 -0.714 18485 4293 1 7 . 1 1 102 102 ASP H H 102 8.828 8.828 8.160 0.668 18485 4294 1 7 . 1 1 103 103 LYS N N 103 116.177 116.177 117.748 -1.571 18485 4295 1 7 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.356 0.040 18485 4296 1 7 . 1 1 103 103 LYS C C 103 176.282 176.282 176.642 -0.360 18485 4297 1 7 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.433 -0.109 18485 4298 1 7 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.985 -0.270 18485 4299 1 7 . 1 1 103 103 LYS H H 103 7.847 7.847 8.174 -0.327 18485 4300 1 7 . 1 1 104 104 GLY N N 104 108.597 108.597 106.737 1.860 18485 4301 1 7 . 1 1 104 104 GLY C C 104 174.450 174.450 174.713 -0.263 18485 4302 1 7 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.271 1.052 18485 4303 1 7 . 1 1 104 104 GLY H H 104 7.930 7.930 7.586 0.344 18485 4304 1 7 . 1 1 105 105 ILE N N 105 123.232 123.232 120.598 2.634 18485 4305 1 7 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.276 -0.167 18485 4306 1 7 . 1 1 105 105 ILE C C 105 175.374 175.374 176.724 -1.350 18485 4307 1 7 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.650 -0.007 18485 4308 1 7 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.023 -0.335 18485 4309 1 7 . 1 1 105 105 ILE H H 105 8.323 8.323 7.989 0.334 18485 4310 1 7 . 1 1 106 106 THR N N 106 123.522 123.522 122.434 1.088 18485 4311 1 7 . 1 1 106 106 THR HA H 106 4.155 4.155 4.289 -0.134 18485 4312 1 7 . 1 1 106 106 THR C C 106 173.223 173.223 173.671 -0.448 18485 4313 1 7 . 1 1 106 106 THR CA C 106 63.189 63.189 63.069 0.120 18485 4314 1 7 . 1 1 106 106 THR CB C 106 69.242 69.242 68.942 0.300 18485 4315 1 7 . 1 1 106 106 THR H H 106 8.521 8.521 8.590 -0.069 18485 4316 1 7 . 1 1 107 107 CYS N N 107 120.688 120.688 123.377 -2.689 18485 4317 1 7 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.360 -0.493 18485 4318 1 7 . 1 1 107 107 CYS C C 107 173.798 173.798 173.866 -0.068 18485 4319 1 7 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.903 -0.351 18485 4320 1 7 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.063 -0.601 18485 4321 1 7 . 1 1 107 107 CYS H H 107 8.247 8.247 8.220 0.027 18485 4322 1 7 . 1 1 108 108 ARG N N 108 122.349 122.349 120.937 1.412 18485 4323 1 7 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.304 -0.013 18485 4324 1 7 . 1 1 108 108 ARG C C 108 175.547 175.547 176.560 -1.013 18485 4325 1 7 . 1 1 108 108 ARG CA C 108 56.300 56.300 55.449 0.851 18485 4326 1 7 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.386 0.890 18485 4327 1 7 . 1 1 108 108 ARG H H 108 8.512 8.512 8.632 -0.120 18485 4328 1 7 . 1 1 109 109 ASP N N 109 121.453 121.453 121.547 -0.094 18485 4329 1 7 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.438 0.187 18485 4330 1 7 . 1 1 109 109 ASP C C 109 174.973 174.973 176.736 -1.763 18485 4331 1 7 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.237 -0.998 18485 4332 1 7 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.283 -0.327 18485 4333 1 7 . 1 1 109 109 ASP H H 109 8.399 8.399 8.364 0.035 18485 4334 1 8 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.613 -0.201 18485 4335 1 8 . 1 1 2 2 ALA C C 2 177.283 177.283 176.477 0.806 18485 4336 1 8 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.808 0.476 18485 4337 1 8 . 1 1 2 2 ALA CB C 2 19.504 19.504 21.321 -1.817 18485 4338 1 8 . 1 1 3 3 MET N N 3 121.052 121.052 123.685 -2.633 18485 4339 1 8 . 1 1 3 3 MET HA H 3 4.458 4.458 4.707 -0.249 18485 4340 1 8 . 1 1 3 3 MET C C 3 175.185 175.185 175.935 -0.750 18485 4341 1 8 . 1 1 3 3 MET CA C 3 56.001 56.001 55.511 0.490 18485 4342 1 8 . 1 1 3 3 MET CB C 3 34.282 34.282 33.413 0.870 18485 4343 1 8 . 1 1 3 3 MET H H 3 8.313 8.313 8.472 -0.159 18485 4344 1 8 . 1 1 4 4 VAL N N 4 116.976 116.976 119.608 -2.632 18485 4345 1 8 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.714 -0.072 18485 4346 1 8 . 1 1 4 4 VAL C C 4 176.976 176.976 176.518 0.458 18485 4347 1 8 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.344 0.408 18485 4348 1 8 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.235 0.643 18485 4349 1 8 . 1 1 4 4 VAL H H 4 8.432 8.432 8.770 -0.338 18485 4350 1 8 . 1 1 5 5 LYS N N 5 123.795 123.795 123.624 0.171 18485 4351 1 8 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.102 -0.516 18485 4352 1 8 . 1 1 5 5 LYS C C 5 178.205 178.205 178.193 0.012 18485 4353 1 8 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.901 1.161 18485 4354 1 8 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.169 0.054 18485 4355 1 8 . 1 1 5 5 LYS H H 5 8.725 8.725 8.825 -0.100 18485 4356 1 8 . 1 1 6 6 LYS N N 6 117.559 117.559 118.202 -0.643 18485 4357 1 8 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.063 0.011 18485 4358 1 8 . 1 1 6 6 LYS C C 6 176.976 176.976 178.552 -1.576 18485 4359 1 8 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.408 -0.389 18485 4360 1 8 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.081 0.577 18485 4361 1 8 . 1 1 6 6 LYS H H 6 8.395 8.395 8.480 -0.085 18485 4362 1 8 . 1 1 7 7 ASP N N 7 116.710 116.710 119.544 -2.834 18485 4363 1 8 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.497 -0.133 18485 4364 1 8 . 1 1 7 7 ASP C C 7 179.180 179.180 178.729 0.451 18485 4365 1 8 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.194 0.216 18485 4366 1 8 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.422 0.453 18485 4367 1 8 . 1 1 7 7 ASP H H 7 7.415 7.415 8.066 -0.651 18485 4368 1 8 . 1 1 8 8 ILE N N 8 120.990 120.990 120.790 0.200 18485 4369 1 8 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.594 -0.317 18485 4370 1 8 . 1 1 8 8 ILE C C 8 177.537 177.537 177.763 -0.226 18485 4371 1 8 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.904 -0.344 18485 4372 1 8 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.532 -0.463 18485 4373 1 8 . 1 1 8 8 ILE H H 8 7.302 7.302 7.289 0.013 18485 4374 1 8 . 1 1 9 9 ASP N N 9 120.214 120.214 120.136 0.078 18485 4375 1 8 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.350 -0.143 18485 4376 1 8 . 1 1 9 9 ASP C C 9 178.564 178.564 178.107 0.457 18485 4377 1 8 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.726 0.282 18485 4378 1 8 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.041 0.841 18485 4379 1 8 . 1 1 9 9 ASP H H 9 7.884 7.884 8.115 -0.231 18485 4380 1 8 . 1 1 10 10 ASP N N 10 117.314 117.314 119.071 -1.757 18485 4381 1 8 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.405 -0.081 18485 4382 1 8 . 1 1 10 10 ASP C C 10 179.340 179.340 178.359 0.981 18485 4383 1 8 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.346 -0.160 18485 4384 1 8 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.017 -1.103 18485 4385 1 8 . 1 1 10 10 ASP H H 10 8.856 8.856 7.917 0.939 18485 4386 1 8 . 1 1 11 11 THR N N 11 119.032 119.032 116.543 2.489 18485 4387 1 8 . 1 1 11 11 THR HA H 11 4.061 4.061 3.993 0.068 18485 4388 1 8 . 1 1 11 11 THR C C 11 175.574 175.574 176.543 -0.969 18485 4389 1 8 . 1 1 11 11 THR CA C 11 67.210 67.210 66.831 0.379 18485 4390 1 8 . 1 1 11 11 THR CB C 11 68.319 68.319 69.014 -0.696 18485 4391 1 8 . 1 1 11 11 THR H H 11 7.670 7.670 7.429 0.241 18485 4392 1 8 . 1 1 12 12 ILE N N 12 122.228 122.228 121.508 0.720 18485 4393 1 8 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.711 -0.072 18485 4394 1 8 . 1 1 12 12 ILE C C 12 177.455 177.455 177.627 -0.172 18485 4395 1 8 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.794 0.115 18485 4396 1 8 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.172 0.406 18485 4397 1 8 . 1 1 12 12 ILE H H 12 8.303 8.303 8.500 -0.197 18485 4398 1 8 . 1 1 13 13 LYS N N 13 114.462 114.462 116.567 -2.105 18485 4399 1 8 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.267 -0.133 18485 4400 1 8 . 1 1 13 13 LYS C C 13 177.547 177.547 177.898 -0.351 18485 4401 1 8 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.672 0.728 18485 4402 1 8 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.591 0.415 18485 4403 1 8 . 1 1 13 13 LYS H H 13 7.709 7.709 8.041 -0.332 18485 4404 1 8 . 1 1 14 14 SER N N 14 112.642 112.642 114.188 -1.546 18485 4405 1 8 . 1 1 14 14 SER HA H 14 4.551 4.551 4.406 0.145 18485 4406 1 8 . 1 1 14 14 SER C C 14 174.532 174.532 174.893 -0.361 18485 4407 1 8 . 1 1 14 14 SER CA C 14 59.744 59.744 59.817 -0.073 18485 4408 1 8 . 1 1 14 14 SER CB C 14 65.009 65.009 64.199 0.810 18485 4409 1 8 . 1 1 14 14 SER H H 14 7.749 7.749 7.802 -0.053 18485 4410 1 8 . 1 1 15 15 GLU N N 15 121.266 121.266 121.329 -0.063 18485 4411 1 8 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.359 0.205 18485 4412 1 8 . 1 1 15 15 GLU C C 15 176.789 176.789 176.432 0.357 18485 4413 1 8 . 1 1 15 15 GLU CA C 15 54.445 54.445 56.058 -1.613 18485 4414 1 8 . 1 1 15 15 GLU CB C 15 30.326 30.326 31.015 -0.689 18485 4415 1 8 . 1 1 15 15 GLU H H 15 8.101 8.101 7.958 0.143 18485 4416 1 8 . 1 1 16 16 ASP N N 16 122.253 122.253 120.035 2.218 18485 4417 1 8 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.732 -0.392 18485 4418 1 8 . 1 1 16 16 ASP C C 16 176.469 176.469 175.815 0.654 18485 4419 1 8 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.361 2.398 18485 4420 1 8 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.278 -1.460 18485 4421 1 8 . 1 1 16 16 ASP H H 16 8.685 8.685 8.768 -0.083 18485 4422 1 8 . 1 1 17 17 VAL N N 17 118.536 118.536 118.227 0.309 18485 4423 1 8 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.886 0.029 18485 4424 1 8 . 1 1 17 17 VAL C C 17 174.452 174.452 174.000 0.452 18485 4425 1 8 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.092 0.811 18485 4426 1 8 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.931 -0.554 18485 4427 1 8 . 1 1 17 17 VAL H H 17 8.547 8.547 7.761 0.786 18485 4428 1 8 . 1 1 18 18 VAL N N 18 125.917 125.917 126.570 -0.653 18485 4429 1 8 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.301 -0.046 18485 4430 1 8 . 1 1 18 18 VAL C C 18 174.158 174.158 174.631 -0.473 18485 4431 1 8 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.478 -0.376 18485 4432 1 8 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.815 0.241 18485 4433 1 8 . 1 1 18 18 VAL H H 18 8.755 8.755 9.073 -0.318 18485 4434 1 8 . 1 1 19 19 THR N N 19 120.107 120.107 119.706 0.401 18485 4435 1 8 . 1 1 19 19 THR HA H 19 5.795 5.795 5.261 0.534 18485 4436 1 8 . 1 1 19 19 THR C C 19 171.126 171.126 172.615 -1.489 18485 4437 1 8 . 1 1 19 19 THR CA C 19 58.118 58.118 59.972 -1.854 18485 4438 1 8 . 1 1 19 19 THR CB C 19 72.547 72.547 71.528 1.018 18485 4439 1 8 . 1 1 19 19 THR H H 19 8.938 8.938 8.707 0.231 18485 4440 1 8 . 1 1 20 20 PHE N N 20 125.287 125.287 125.224 0.063 18485 4441 1 8 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.545 -0.041 18485 4442 1 8 . 1 1 20 20 PHE C C 20 175.200 175.200 175.185 0.015 18485 4443 1 8 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.878 -0.380 18485 4444 1 8 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.046 0.615 18485 4445 1 8 . 1 1 20 20 PHE H H 20 8.230 8.230 8.811 -0.581 18485 4446 1 8 . 1 1 21 21 ILE N N 21 114.660 114.660 116.800 -2.140 18485 4447 1 8 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.902 -0.090 18485 4448 1 8 . 1 1 21 21 ILE C C 21 173.918 173.918 174.409 -0.491 18485 4449 1 8 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.252 0.112 18485 4450 1 8 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.734 1.086 18485 4451 1 8 . 1 1 21 21 ILE H H 21 9.042 9.042 9.423 -0.381 18485 4452 1 8 . 1 1 22 22 LYS N N 22 117.197 117.197 123.720 -6.523 18485 4453 1 8 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.480 0.123 18485 4454 1 8 . 1 1 22 22 LYS C C 22 175.935 175.935 175.801 0.134 18485 4455 1 8 . 1 1 22 22 LYS CA C 22 56.698 56.698 56.111 0.587 18485 4456 1 8 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.261 1.932 18485 4457 1 8 . 1 1 22 22 LYS H H 22 8.581 8.581 8.692 -0.111 18485 4458 1 8 . 1 1 23 23 GLY N N 23 117.108 117.108 108.450 8.658 18485 4459 1 8 . 1 1 23 23 GLY C C 23 170.793 170.793 172.462 -1.669 18485 4460 1 8 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.732 -0.095 18485 4461 1 8 . 1 1 23 23 GLY H H 23 9.178 9.178 7.740 1.438 18485 4462 1 8 . 1 1 24 24 LEU N N 24 117.859 117.859 120.857 -2.998 18485 4463 1 8 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.596 0.264 18485 4464 1 8 . 1 1 24 24 LEU C C 24 176.709 176.709 176.390 0.319 18485 4465 1 8 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.584 -1.633 18485 4466 1 8 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.551 1.456 18485 4467 1 8 . 1 1 24 24 LEU H H 24 7.162 7.162 7.944 -0.782 18485 4468 1 8 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.463 -0.510 18485 4469 1 8 . 1 1 25 25 PRO C C 25 177.190 177.190 177.555 -0.365 18485 4470 1 8 . 1 1 25 25 PRO CA C 25 66.322 66.322 65.014 1.308 18485 4471 1 8 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.246 -0.522 18485 4472 1 8 . 1 1 26 26 GLU N N 26 111.260 111.260 117.662 -6.402 18485 4473 1 8 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.179 0.026 18485 4474 1 8 . 1 1 26 26 GLU C C 26 176.429 176.429 176.625 -0.196 18485 4475 1 8 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.823 -1.080 18485 4476 1 8 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.325 -0.627 18485 4477 1 8 . 1 1 26 26 GLU H H 26 8.807 8.807 8.302 0.505 18485 4478 1 8 . 1 1 27 27 ALA N N 27 122.547 122.547 123.195 -0.648 18485 4479 1 8 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.627 -0.040 18485 4480 1 8 . 1 1 27 27 ALA C C 27 172.342 172.342 174.955 -2.613 18485 4481 1 8 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.901 0.983 18485 4482 1 8 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.831 -0.136 18485 4483 1 8 . 1 1 27 27 ALA H H 27 7.856 7.856 7.742 0.114 18485 4484 1 8 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.653 -0.011 18485 4485 1 8 . 1 1 28 28 PRO C C 28 178.512 178.512 176.235 2.277 18485 4486 1 8 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.932 0.174 18485 4487 1 8 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.689 -0.624 18485 4488 1 8 . 1 1 29 29 MET N N 29 119.426 119.426 118.774 0.652 18485 4489 1 8 . 1 1 29 29 MET HA H 29 4.758 4.758 4.565 0.193 18485 4490 1 8 . 1 1 29 29 MET C C 29 175.374 175.374 176.350 -0.976 18485 4491 1 8 . 1 1 29 29 MET CA C 29 54.594 54.594 55.684 -1.089 18485 4492 1 8 . 1 1 29 29 MET CB C 29 33.036 33.036 33.269 -0.233 18485 4493 1 8 . 1 1 29 29 MET H H 29 8.828 8.828 8.849 -0.021 18485 4494 1 8 . 1 1 30 30 CYS N N 30 116.089 116.089 118.388 -2.299 18485 4495 1 8 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.662 0.190 18485 4496 1 8 . 1 1 30 30 CYS C C 30 176.028 176.028 174.556 1.472 18485 4497 1 8 . 1 1 30 30 CYS CA C 30 58.725 58.725 58.346 0.379 18485 4498 1 8 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.254 2.005 18485 4499 1 8 . 1 1 30 30 CYS H H 30 7.455 7.455 7.589 -0.134 18485 4500 1 8 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.175 -0.095 18485 4501 1 8 . 1 1 31 31 ALA C C 31 180.222 180.222 178.488 1.734 18485 4502 1 8 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.903 -0.209 18485 4503 1 8 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.720 -0.039 18485 4504 1 8 . 1 1 32 32 TYR N N 32 121.972 121.972 117.105 4.867 18485 4505 1 8 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.243 0.090 18485 4506 1 8 . 1 1 32 32 TYR C C 32 178.673 178.673 178.147 0.526 18485 4507 1 8 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.101 -1.172 18485 4508 1 8 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.523 -0.486 18485 4509 1 8 . 1 1 32 32 TYR H H 32 8.846 8.846 8.472 0.374 18485 4510 1 8 . 1 1 33 33 SER N N 33 125.375 125.375 115.512 9.863 18485 4511 1 8 . 1 1 33 33 SER HA H 33 4.013 4.013 4.231 -0.218 18485 4512 1 8 . 1 1 33 33 SER C C 33 174.906 174.906 176.198 -1.292 18485 4513 1 8 . 1 1 33 33 SER CA C 33 64.417 64.417 62.630 1.787 18485 4514 1 8 . 1 1 33 33 SER CB C 33 62.687 62.687 62.615 0.072 18485 4515 1 8 . 1 1 33 33 SER H H 33 10.272 10.272 7.777 2.495 18485 4516 1 8 . 1 1 34 34 LYS N N 34 121.216 121.216 122.739 -1.523 18485 4517 1 8 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.973 -0.120 18485 4518 1 8 . 1 1 34 34 LYS C C 34 177.083 177.083 178.762 -1.679 18485 4519 1 8 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.053 0.610 18485 4520 1 8 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.281 -0.131 18485 4521 1 8 . 1 1 34 34 LYS H H 34 8.024 8.024 8.187 -0.163 18485 4522 1 8 . 1 1 35 35 ARG N N 35 117.269 117.269 119.160 -1.891 18485 4523 1 8 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.096 0.053 18485 4524 1 8 . 1 1 35 35 ARG C C 35 178.058 178.058 178.704 -0.646 18485 4525 1 8 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.291 0.685 18485 4526 1 8 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.665 0.047 18485 4527 1 8 . 1 1 35 35 ARG H H 35 7.559 7.559 8.203 -0.644 18485 4528 1 8 . 1 1 36 36 MET N N 36 117.954 117.954 120.176 -2.222 18485 4529 1 8 . 1 1 36 36 MET HA H 36 4.068 4.068 4.158 -0.090 18485 4530 1 8 . 1 1 36 36 MET C C 36 176.963 176.963 177.825 -0.862 18485 4531 1 8 . 1 1 36 36 MET CA C 36 58.195 58.195 58.151 0.044 18485 4532 1 8 . 1 1 36 36 MET CB C 36 31.742 31.742 32.286 -0.544 18485 4533 1 8 . 1 1 36 36 MET H H 36 8.027 8.027 8.261 -0.234 18485 4534 1 8 . 1 1 37 37 ILE N N 37 118.650 118.650 118.815 -0.165 18485 4535 1 8 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.487 0.033 18485 4536 1 8 . 1 1 37 37 ILE C C 37 177.631 177.631 178.103 -0.472 18485 4537 1 8 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.760 -1.887 18485 4538 1 8 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.246 -1.074 18485 4539 1 8 . 1 1 37 37 ILE H H 37 7.825 7.825 7.915 -0.090 18485 4540 1 8 . 1 1 38 38 ASP N N 38 119.229 119.229 120.823 -1.594 18485 4541 1 8 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.380 -0.050 18485 4542 1 8 . 1 1 38 38 ASP C C 38 180.208 180.208 178.884 1.324 18485 4543 1 8 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.682 -0.152 18485 4544 1 8 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.803 -0.833 18485 4545 1 8 . 1 1 38 38 ASP H H 38 8.629 8.629 8.202 0.427 18485 4546 1 8 . 1 1 39 39 VAL N N 39 121.475 121.475 120.038 1.437 18485 4547 1 8 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.665 -0.090 18485 4548 1 8 . 1 1 39 39 VAL C C 39 177.056 177.056 178.221 -1.165 18485 4549 1 8 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.460 0.350 18485 4550 1 8 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.480 0.015 18485 4551 1 8 . 1 1 39 39 VAL H H 39 7.879 7.879 7.874 0.005 18485 4552 1 8 . 1 1 40 40 LEU N N 40 118.145 118.145 119.087 -0.942 18485 4553 1 8 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.923 -0.149 18485 4554 1 8 . 1 1 40 40 LEU C C 40 179.794 179.794 179.084 0.710 18485 4555 1 8 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.147 0.017 18485 4556 1 8 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.244 -0.647 18485 4557 1 8 . 1 1 40 40 LEU H H 40 7.574 7.574 7.686 -0.112 18485 4558 1 8 . 1 1 41 41 GLU N N 41 116.305 116.305 119.232 -2.927 18485 4559 1 8 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.220 0.077 18485 4560 1 8 . 1 1 41 41 GLU C C 41 181.117 181.117 179.621 1.496 18485 4561 1 8 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.095 -0.543 18485 4562 1 8 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.570 -0.449 18485 4563 1 8 . 1 1 41 41 GLU H H 41 8.871 8.871 8.651 0.220 18485 4564 1 8 . 1 1 42 42 ALA N N 42 124.797 124.797 122.033 2.764 18485 4565 1 8 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.212 -0.047 18485 4566 1 8 . 1 1 42 42 ALA C C 42 180.275 180.275 178.903 1.372 18485 4567 1 8 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.368 0.612 18485 4568 1 8 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.542 -0.883 18485 4569 1 8 . 1 1 42 42 ALA H H 42 8.285 8.285 8.514 -0.229 18485 4570 1 8 . 1 1 43 43 LEU N N 43 115.767 115.767 115.532 0.235 18485 4571 1 8 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.428 -0.179 18485 4572 1 8 . 1 1 43 43 LEU C C 43 177.177 177.177 176.614 0.563 18485 4573 1 8 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.163 1.243 18485 4574 1 8 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.274 1.209 18485 4575 1 8 . 1 1 43 43 LEU H H 43 7.528 7.528 7.679 -0.151 18485 4576 1 8 . 1 1 44 44 GLY N N 44 108.593 108.593 107.172 1.421 18485 4577 1 8 . 1 1 44 44 GLY C C 44 175.011 175.011 174.691 0.320 18485 4578 1 8 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.375 0.966 18485 4579 1 8 . 1 1 44 44 GLY H H 44 7.927 7.927 7.625 0.302 18485 4580 1 8 . 1 1 45 45 LEU N N 45 117.269 117.269 118.218 -0.949 18485 4581 1 8 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.733 -0.281 18485 4582 1 8 . 1 1 45 45 LEU C C 45 176.976 176.976 176.907 0.069 18485 4583 1 8 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.679 0.721 18485 4584 1 8 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.053 -0.337 18485 4585 1 8 . 1 1 45 45 LEU H H 45 7.482 7.482 7.918 -0.436 18485 4586 1 8 . 1 1 46 46 GLU N N 46 121.177 121.177 121.262 -0.085 18485 4587 1 8 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.451 0.012 18485 4588 1 8 . 1 1 46 46 GLU C C 46 176.135 176.135 175.242 0.893 18485 4589 1 8 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.459 0.065 18485 4590 1 8 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.687 -0.454 18485 4591 1 8 . 1 1 46 46 GLU H H 46 8.250 8.250 8.691 -0.441 18485 4592 1 8 . 1 1 47 47 TYR N N 47 119.617 119.617 119.778 -0.161 18485 4593 1 8 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.292 0.006 18485 4594 1 8 . 1 1 47 47 TYR C C 47 173.798 173.798 174.663 -0.865 18485 4595 1 8 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.341 0.483 18485 4596 1 8 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.109 0.961 18485 4597 1 8 . 1 1 47 47 TYR H H 47 7.874 7.874 7.789 0.085 18485 4598 1 8 . 1 1 48 48 THR N N 48 117.577 117.577 118.072 -0.495 18485 4599 1 8 . 1 1 48 48 THR HA H 48 4.266 4.266 4.511 -0.245 18485 4600 1 8 . 1 1 48 48 THR C C 48 171.941 171.941 173.007 -1.066 18485 4601 1 8 . 1 1 48 48 THR CA C 48 62.299 62.299 61.584 0.715 18485 4602 1 8 . 1 1 48 48 THR CB C 48 70.899 70.899 70.657 0.242 18485 4603 1 8 . 1 1 48 48 THR H H 48 8.549 8.549 8.574 -0.025 18485 4604 1 8 . 1 1 49 49 SER N N 49 121.488 121.488 121.158 0.330 18485 4605 1 8 . 1 1 49 49 SER HA H 49 5.516 5.516 5.010 0.506 18485 4606 1 8 . 1 1 49 49 SER C C 49 173.691 173.691 173.411 0.280 18485 4607 1 8 . 1 1 49 49 SER CA C 49 55.758 55.758 57.038 -1.280 18485 4608 1 8 . 1 1 49 49 SER CB C 49 66.386 66.386 64.490 1.896 18485 4609 1 8 . 1 1 49 49 SER H H 49 8.536 8.536 8.525 0.011 18485 4610 1 8 . 1 1 50 50 PHE N N 50 124.791 124.791 124.915 -0.124 18485 4611 1 8 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.633 0.082 18485 4612 1 8 . 1 1 50 50 PHE C C 50 173.608 173.608 174.192 -0.584 18485 4613 1 8 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.981 0.358 18485 4614 1 8 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.685 1.844 18485 4615 1 8 . 1 1 50 50 PHE H H 50 8.627 8.627 9.140 -0.513 18485 4616 1 8 . 1 1 51 51 ASP N N 51 120.606 120.606 125.258 -4.652 18485 4617 1 8 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.374 -0.004 18485 4618 1 8 . 1 1 51 51 ASP C C 51 178.779 178.779 177.715 1.064 18485 4619 1 8 . 1 1 51 51 ASP CA C 51 52.234 52.234 53.197 -0.963 18485 4620 1 8 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.316 0.860 18485 4621 1 8 . 1 1 51 51 ASP H H 51 8.415 8.415 8.826 -0.411 18485 4622 1 8 . 1 1 52 52 VAL N N 52 119.623 119.623 117.600 2.023 18485 4623 1 8 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.208 -0.102 18485 4624 1 8 . 1 1 52 52 VAL C C 52 176.682 176.682 177.170 -0.488 18485 4625 1 8 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.637 -1.310 18485 4626 1 8 . 1 1 52 52 VAL CB C 52 31.774 31.774 32.409 -0.635 18485 4627 1 8 . 1 1 52 52 VAL H H 52 9.307 9.307 8.427 0.880 18485 4628 1 8 . 1 1 53 53 LEU N N 53 118.392 118.392 120.591 -2.199 18485 4629 1 8 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.328 -0.070 18485 4630 1 8 . 1 1 53 53 LEU C C 53 179.153 179.153 177.639 1.514 18485 4631 1 8 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.303 -0.540 18485 4632 1 8 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.390 -0.355 18485 4633 1 8 . 1 1 53 53 LEU H H 53 9.008 9.008 8.381 0.627 18485 4634 1 8 . 1 1 54 54 ALA N N 54 119.577 119.577 120.303 -0.726 18485 4635 1 8 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.431 -0.191 18485 4636 1 8 . 1 1 54 54 ALA C C 54 177.657 177.657 176.663 0.994 18485 4637 1 8 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.465 0.923 18485 4638 1 8 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.269 -0.150 18485 4639 1 8 . 1 1 54 54 ALA H H 54 7.304 7.304 7.846 -0.542 18485 4640 1 8 . 1 1 55 55 HIS N N 55 114.383 114.383 117.349 -2.966 18485 4641 1 8 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.801 0.323 18485 4642 1 8 . 1 1 55 55 HIS C C 55 174.238 174.238 172.662 1.576 18485 4643 1 8 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.567 -0.473 18485 4644 1 8 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.194 1.595 18485 4645 1 8 . 1 1 55 55 HIS H H 55 6.894 6.894 7.692 -0.798 18485 4646 1 8 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.206 0.120 18485 4647 1 8 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.205 0.057 18485 4648 1 8 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.145 -0.104 18485 4649 1 8 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.702 0.285 18485 4650 1 8 . 1 1 57 57 VAL C C 57 177.804 177.804 177.823 -0.019 18485 4651 1 8 . 1 1 57 57 VAL CA C 57 65.327 65.327 65.725 -0.398 18485 4652 1 8 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.755 -0.534 18485 4653 1 8 . 1 1 57 57 VAL H H 57 9.778 9.778 7.543 2.235 18485 4654 1 8 . 1 1 58 58 VAL N N 58 120.641 120.641 119.433 1.208 18485 4655 1 8 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.688 -0.156 18485 4656 1 8 . 1 1 58 58 VAL C C 58 177.270 177.270 177.356 -0.086 18485 4657 1 8 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.415 -0.505 18485 4658 1 8 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.792 -0.370 18485 4659 1 8 . 1 1 58 58 VAL H H 58 7.540 7.540 7.775 -0.235 18485 4660 1 8 . 1 1 59 59 ARG N N 59 118.263 118.263 118.868 -0.605 18485 4661 1 8 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.091 -0.177 18485 4662 1 8 . 1 1 59 59 ARG C C 59 178.579 178.579 178.196 0.383 18485 4663 1 8 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.034 0.945 18485 4664 1 8 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.729 0.223 18485 4665 1 8 . 1 1 59 59 ARG H H 59 7.536 7.536 7.714 -0.178 18485 4666 1 8 . 1 1 60 60 SER N N 60 113.091 113.091 115.295 -2.204 18485 4667 1 8 . 1 1 60 60 SER HA H 60 4.161 4.161 4.216 -0.055 18485 4668 1 8 . 1 1 60 60 SER C C 60 175.761 175.761 175.867 -0.106 18485 4669 1 8 . 1 1 60 60 SER CA C 60 61.435 61.435 60.785 0.650 18485 4670 1 8 . 1 1 60 60 SER CB C 60 62.721 62.721 63.323 -0.602 18485 4671 1 8 . 1 1 60 60 SER H H 60 8.204 8.204 8.168 0.036 18485 4672 1 8 . 1 1 61 61 TYR N N 61 123.436 123.436 123.084 0.352 18485 4673 1 8 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.057 -0.175 18485 4674 1 8 . 1 1 61 61 TYR C C 61 177.731 177.731 177.141 0.590 18485 4675 1 8 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.801 0.227 18485 4676 1 8 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.384 0.771 18485 4677 1 8 . 1 1 61 61 TYR H H 61 8.024 8.024 8.102 -0.078 18485 4678 1 8 . 1 1 62 62 VAL N N 62 115.253 115.253 113.696 1.557 18485 4679 1 8 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.770 -0.241 18485 4680 1 8 . 1 1 62 62 VAL C C 62 176.990 176.990 177.456 -0.466 18485 4681 1 8 . 1 1 62 62 VAL CA C 62 65.224 65.224 64.575 0.649 18485 4682 1 8 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.579 0.857 18485 4683 1 8 . 1 1 62 62 VAL H H 62 7.754 7.754 7.436 0.318 18485 4684 1 8 . 1 1 63 63 LYS N N 63 117.543 117.543 120.445 -2.902 18485 4685 1 8 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.178 -0.149 18485 4686 1 8 . 1 1 63 63 LYS C C 63 177.549 177.549 178.956 -1.407 18485 4687 1 8 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.584 -0.257 18485 4688 1 8 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.623 0.138 18485 4689 1 8 . 1 1 63 63 LYS H H 63 7.367 7.367 7.538 -0.171 18485 4690 1 8 . 1 1 64 64 GLU N N 64 116.093 116.093 116.957 -0.864 18485 4691 1 8 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.212 -0.098 18485 4692 1 8 . 1 1 64 64 GLU C C 64 177.547 177.547 177.954 -0.407 18485 4693 1 8 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.653 -1.148 18485 4694 1 8 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.836 -0.459 18485 4695 1 8 . 1 1 64 64 GLU H H 64 7.701 7.701 8.323 -0.622 18485 4696 1 8 . 1 1 65 65 VAL N N 65 116.739 116.739 117.002 -0.263 18485 4697 1 8 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.965 -0.130 18485 4698 1 8 . 1 1 65 65 VAL C C 65 176.335 176.335 176.780 -0.445 18485 4699 1 8 . 1 1 65 65 VAL CA C 65 63.496 63.496 62.886 0.610 18485 4700 1 8 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.629 -0.386 18485 4701 1 8 . 1 1 65 65 VAL H H 65 7.608 7.608 7.845 -0.237 18485 4702 1 8 . 1 1 66 66 SER N N 66 114.353 114.353 115.344 -0.991 18485 4703 1 8 . 1 1 66 66 SER HA H 66 4.230 4.230 4.287 -0.057 18485 4704 1 8 . 1 1 66 66 SER C C 66 174.345 174.345 174.879 -0.534 18485 4705 1 8 . 1 1 66 66 SER CA C 66 58.038 58.038 59.739 -1.701 18485 4706 1 8 . 1 1 66 66 SER CB C 66 63.898 63.898 63.715 0.183 18485 4707 1 8 . 1 1 66 66 SER H H 66 7.526 7.526 7.562 -0.036 18485 4708 1 8 . 1 1 67 67 GLU N N 67 121.681 121.681 116.020 5.661 18485 4709 1 8 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.036 -0.171 18485 4710 1 8 . 1 1 67 67 GLU C C 67 175.748 175.748 175.295 0.453 18485 4711 1 8 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.615 0.230 18485 4712 1 8 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.933 1.447 18485 4713 1 8 . 1 1 67 67 GLU H H 67 7.966 7.966 7.964 0.002 18485 4714 1 8 . 1 1 68 68 TRP N N 68 119.264 119.264 120.787 -1.523 18485 4715 1 8 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.645 0.290 18485 4716 1 8 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.160 -1.304 18485 4717 1 8 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.740 0.977 18485 4718 1 8 . 1 1 68 68 TRP H H 68 7.633 7.633 7.792 -0.159 18485 4719 1 8 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.330 0.112 18485 4720 1 8 . 1 1 69 69 PRO C C 69 176.375 176.375 176.025 0.350 18485 4721 1 8 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.059 -0.492 18485 4722 1 8 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.648 -0.135 18485 4723 1 8 . 1 1 70 70 THR N N 70 114.312 114.312 115.986 -1.674 18485 4724 1 8 . 1 1 70 70 THR HA H 70 4.344 4.344 4.257 0.087 18485 4725 1 8 . 1 1 70 70 THR C C 70 172.275 172.275 173.951 -1.676 18485 4726 1 8 . 1 1 70 70 THR CA C 70 61.465 61.465 63.038 -1.573 18485 4727 1 8 . 1 1 70 70 THR CB C 70 70.433 70.433 69.579 0.854 18485 4728 1 8 . 1 1 70 70 THR H H 70 7.162 7.162 7.607 -0.445 18485 4729 1 8 . 1 1 71 71 ILE N N 71 123.770 123.770 123.538 0.232 18485 4730 1 8 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.530 -0.028 18485 4731 1 8 . 1 1 71 71 ILE C C 71 175.106 175.106 174.938 0.168 18485 4732 1 8 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.447 -1.692 18485 4733 1 8 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.906 0.171 18485 4734 1 8 . 1 1 71 71 ILE H H 71 8.398 8.398 8.199 0.199 18485 4735 1 8 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.887 0.671 18485 4736 1 8 . 1 1 72 72 PRO C C 72 175.507 175.507 175.545 -0.038 18485 4737 1 8 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.487 -0.049 18485 4738 1 8 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.166 4.490 18485 4739 1 8 . 1 1 73 73 GLN N N 73 112.013 112.013 116.297 -4.284 18485 4740 1 8 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.427 -0.335 18485 4741 1 8 . 1 1 73 73 GLN C C 73 174.559 174.559 174.887 -0.328 18485 4742 1 8 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.984 0.545 18485 4743 1 8 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.740 0.700 18485 4744 1 8 . 1 1 73 73 GLN H H 73 8.521 8.521 8.517 0.004 18485 4745 1 8 . 1 1 74 74 LEU N N 74 124.684 124.684 122.351 2.333 18485 4746 1 8 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.297 0.035 18485 4747 1 8 . 1 1 74 74 LEU C C 74 172.761 172.761 174.508 -1.747 18485 4748 1 8 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.931 0.624 18485 4749 1 8 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.231 0.812 18485 4750 1 8 . 1 1 74 74 LEU H H 74 8.266 8.266 8.796 -0.530 18485 4751 1 8 . 1 1 75 75 PHE N N 75 126.827 126.827 123.850 2.977 18485 4752 1 8 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.464 -0.221 18485 4753 1 8 . 1 1 75 75 PHE C C 75 174.813 174.813 174.626 0.187 18485 4754 1 8 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.514 0.555 18485 4755 1 8 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.655 -1.006 18485 4756 1 8 . 1 1 75 75 PHE H H 75 9.692 9.692 9.441 0.251 18485 4757 1 8 . 1 1 76 76 ILE N N 76 118.421 118.421 121.989 -3.568 18485 4758 1 8 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.948 0.155 18485 4759 1 8 . 1 1 76 76 ILE C C 76 176.242 176.242 176.439 -0.197 18485 4760 1 8 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.211 -0.018 18485 4761 1 8 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.229 0.296 18485 4762 1 8 . 1 1 76 76 ILE H H 76 8.612 8.612 9.138 -0.526 18485 4763 1 8 . 1 1 77 77 LYS N N 77 129.856 129.856 125.325 4.531 18485 4764 1 8 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.920 0.272 18485 4765 1 8 . 1 1 77 77 LYS C C 77 175.887 175.887 175.937 -0.050 18485 4766 1 8 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.211 -0.610 18485 4767 1 8 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.496 1.103 18485 4768 1 8 . 1 1 77 77 LYS H H 77 10.357 10.357 9.275 1.082 18485 4769 1 8 . 1 1 78 78 ALA N N 78 114.323 114.323 114.607 -0.284 18485 4770 1 8 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.250 -0.412 18485 4771 1 8 . 1 1 78 78 ALA C C 78 175.949 175.949 176.734 -0.785 18485 4772 1 8 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.186 0.332 18485 4773 1 8 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.004 0.231 18485 4774 1 8 . 1 1 78 78 ALA H H 78 9.554 9.554 8.549 1.005 18485 4775 1 8 . 1 1 79 79 GLU N N 79 120.498 120.498 118.143 2.355 18485 4776 1 8 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.859 -0.095 18485 4777 1 8 . 1 1 79 79 GLU C C 79 175.200 175.200 174.544 0.656 18485 4778 1 8 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.448 0.323 18485 4779 1 8 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.921 -0.919 18485 4780 1 8 . 1 1 79 79 GLU H H 79 8.219 8.219 7.842 0.377 18485 4781 1 8 . 1 1 80 80 PHE N N 80 125.962 125.962 124.263 1.699 18485 4782 1 8 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.376 0.016 18485 4783 1 8 . 1 1 80 80 PHE C C 80 175.280 175.280 174.823 0.457 18485 4784 1 8 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.462 -0.203 18485 4785 1 8 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.001 -0.453 18485 4786 1 8 . 1 1 80 80 PHE H H 80 8.935 8.935 8.591 0.344 18485 4787 1 8 . 1 1 81 81 VAL N N 81 128.637 128.637 123.926 4.711 18485 4788 1 8 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.896 -0.127 18485 4789 1 8 . 1 1 81 81 VAL C C 81 174.733 174.733 174.635 0.098 18485 4790 1 8 . 1 1 81 81 VAL CA C 81 63.039 63.039 61.256 1.783 18485 4791 1 8 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.806 -1.168 18485 4792 1 8 . 1 1 81 81 VAL H H 81 8.288 8.288 8.018 0.270 18485 4793 1 8 . 1 1 82 82 GLY N N 82 100.310 100.310 105.089 -4.779 18485 4794 1 8 . 1 1 82 82 GLY C C 82 172.515 172.515 172.024 0.491 18485 4795 1 8 . 1 1 82 82 GLY CA C 82 45.220 45.220 43.952 1.268 18485 4796 1 8 . 1 1 82 82 GLY H H 82 5.816 5.816 5.984 -0.168 18485 4797 1 8 . 1 1 83 83 GLY N N 83 104.342 104.342 105.824 -1.482 18485 4798 1 8 . 1 1 83 83 GLY C C 83 173.758 173.758 174.869 -1.111 18485 4799 1 8 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.491 0.332 18485 4800 1 8 . 1 1 83 83 GLY H H 83 7.401 7.401 8.273 -0.872 18485 4801 1 8 . 1 1 84 84 LEU N N 84 118.350 118.350 121.483 -3.133 18485 4802 1 8 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.177 -0.396 18485 4803 1 8 . 1 1 84 84 LEU C C 84 178.245 178.245 178.495 -0.250 18485 4804 1 8 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.899 0.355 18485 4805 1 8 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.744 0.858 18485 4806 1 8 . 1 1 84 84 LEU H H 84 8.807 8.807 8.241 0.566 18485 4807 1 8 . 1 1 85 85 ASP N N 85 118.373 118.373 117.873 0.500 18485 4808 1 8 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.389 -0.123 18485 4809 1 8 . 1 1 85 85 ASP C C 85 178.296 178.296 178.496 -0.200 18485 4810 1 8 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.632 -0.020 18485 4811 1 8 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.463 -0.964 18485 4812 1 8 . 1 1 85 85 ASP H H 85 8.697 8.697 8.552 0.145 18485 4813 1 8 . 1 1 86 86 ILE N N 86 120.495 120.495 118.748 1.747 18485 4814 1 8 . 1 1 86 86 ILE HA H 86 3.846 3.846 4.067 -0.221 18485 4815 1 8 . 1 1 86 86 ILE C C 86 177.657 177.657 177.712 -0.055 18485 4816 1 8 . 1 1 86 86 ILE CA C 86 62.858 62.858 61.954 0.904 18485 4817 1 8 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.385 0.128 18485 4818 1 8 . 1 1 86 86 ILE H H 86 7.605 7.605 7.546 0.059 18485 4819 1 8 . 1 1 87 87 VAL N N 87 120.596 120.596 118.135 2.461 18485 4820 1 8 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.607 -0.300 18485 4821 1 8 . 1 1 87 87 VAL C C 87 177.629 177.629 177.645 -0.016 18485 4822 1 8 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.734 0.977 18485 4823 1 8 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.177 0.488 18485 4824 1 8 . 1 1 87 87 VAL H H 87 7.934 7.934 7.933 0.001 18485 4825 1 8 . 1 1 88 88 THR N N 88 112.971 112.971 113.220 -0.249 18485 4826 1 8 . 1 1 88 88 THR HA H 88 3.822 3.822 4.063 -0.241 18485 4827 1 8 . 1 1 88 88 THR C C 88 176.896 176.896 176.403 0.493 18485 4828 1 8 . 1 1 88 88 THR CA C 88 66.898 66.898 65.990 0.908 18485 4829 1 8 . 1 1 88 88 THR CB C 88 68.370 68.370 68.467 -0.097 18485 4830 1 8 . 1 1 88 88 THR H H 88 8.719 8.719 7.727 0.992 18485 4831 1 8 . 1 1 89 89 LYS N N 89 123.633 123.633 122.472 1.161 18485 4832 1 8 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.123 0.026 18485 4833 1 8 . 1 1 89 89 LYS C C 89 179.648 179.648 179.302 0.346 18485 4834 1 8 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.054 0.572 18485 4835 1 8 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.514 0.575 18485 4836 1 8 . 1 1 89 89 LYS H H 89 7.568 7.568 7.371 0.197 18485 4837 1 8 . 1 1 90 90 MET N N 90 118.147 118.147 117.964 0.183 18485 4838 1 8 . 1 1 90 90 MET HA H 90 4.333 4.333 4.190 0.143 18485 4839 1 8 . 1 1 90 90 MET C C 90 179.634 179.634 178.942 0.692 18485 4840 1 8 . 1 1 90 90 MET CA C 90 58.590 58.590 58.910 -0.320 18485 4841 1 8 . 1 1 90 90 MET CB C 90 34.033 34.033 32.443 1.590 18485 4842 1 8 . 1 1 90 90 MET H H 90 8.520 8.520 8.389 0.131 18485 4843 1 8 . 1 1 91 91 LEU N N 91 124.789 124.789 122.316 2.473 18485 4844 1 8 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.933 0.267 18485 4845 1 8 . 1 1 91 91 LEU C C 91 179.696 179.696 178.914 0.782 18485 4846 1 8 . 1 1 91 91 LEU CA C 91 58.081 58.081 58.197 -0.116 18485 4847 1 8 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.863 -0.002 18485 4848 1 8 . 1 1 91 91 LEU H H 91 8.792 8.792 8.232 0.560 18485 4849 1 8 . 1 1 92 92 GLU N N 92 118.965 118.965 119.595 -0.630 18485 4850 1 8 . 1 1 92 92 GLU HA H 92 4.017 4.017 3.988 0.029 18485 4851 1 8 . 1 1 92 92 GLU C C 92 178.352 178.352 178.907 -0.555 18485 4852 1 8 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.401 -0.323 18485 4853 1 8 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.711 -0.020 18485 4854 1 8 . 1 1 92 92 GLU H H 92 7.999 7.999 8.531 -0.532 18485 4855 1 8 . 1 1 93 93 SER N N 93 111.381 111.381 112.174 -0.793 18485 4856 1 8 . 1 1 93 93 SER HA H 93 4.406 4.406 4.454 -0.048 18485 4857 1 8 . 1 1 93 93 SER C C 93 175.948 175.948 174.969 0.979 18485 4858 1 8 . 1 1 93 93 SER CA C 93 59.192 59.192 58.709 0.483 18485 4859 1 8 . 1 1 93 93 SER CB C 93 64.227 64.227 63.517 0.710 18485 4860 1 8 . 1 1 93 93 SER H H 93 8.270 8.270 7.964 0.306 18485 4861 1 8 . 1 1 94 94 GLY N N 94 109.172 109.172 109.948 -0.776 18485 4862 1 8 . 1 1 94 94 GLY C C 94 174.906 174.906 175.104 -0.198 18485 4863 1 8 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.520 -1.137 18485 4864 1 8 . 1 1 94 94 GLY H H 94 7.406 7.406 8.212 -0.806 18485 4865 1 8 . 1 1 95 95 ASP N N 95 122.640 122.640 122.193 0.447 18485 4866 1 8 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.338 0.141 18485 4867 1 8 . 1 1 95 95 ASP C C 95 178.486 178.486 177.402 1.084 18485 4868 1 8 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.135 0.116 18485 4869 1 8 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.716 0.654 18485 4870 1 8 . 1 1 95 95 ASP H H 95 8.337 8.337 7.614 0.723 18485 4871 1 8 . 1 1 96 96 LEU N N 96 122.329 122.329 120.031 2.298 18485 4872 1 8 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.134 -0.053 18485 4873 1 8 . 1 1 96 96 LEU C C 96 177.070 177.070 178.226 -1.156 18485 4874 1 8 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.249 -0.289 18485 4875 1 8 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.569 -0.667 18485 4876 1 8 . 1 1 96 96 LEU H H 96 7.992 7.992 8.166 -0.174 18485 4877 1 8 . 1 1 97 97 LYS N N 97 118.159 118.159 118.312 -0.153 18485 4878 1 8 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.912 0.009 18485 4879 1 8 . 1 1 97 97 LYS C C 97 178.245 178.245 178.862 -0.617 18485 4880 1 8 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.761 0.339 18485 4881 1 8 . 1 1 97 97 LYS CB C 97 31.928 31.928 32.001 -0.073 18485 4882 1 8 . 1 1 97 97 LYS H H 97 8.254 8.254 7.642 0.612 18485 4883 1 8 . 1 1 98 98 LYS N N 98 117.677 117.677 119.877 -2.200 18485 4884 1 8 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.005 -0.068 18485 4885 1 8 . 1 1 98 98 LYS C C 98 177.471 177.471 178.518 -1.047 18485 4886 1 8 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.497 0.433 18485 4887 1 8 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.395 0.346 18485 4888 1 8 . 1 1 98 98 LYS H H 98 7.388 7.388 8.190 -0.802 18485 4889 1 8 . 1 1 99 99 MET N N 99 119.426 119.426 118.732 0.694 18485 4890 1 8 . 1 1 99 99 MET HA H 99 4.138 4.138 4.164 -0.026 18485 4891 1 8 . 1 1 99 99 MET C C 99 178.018 178.018 178.463 -0.445 18485 4892 1 8 . 1 1 99 99 MET CA C 99 59.151 59.151 58.955 0.196 18485 4893 1 8 . 1 1 99 99 MET CB C 99 32.550 32.550 32.571 -0.021 18485 4894 1 8 . 1 1 99 99 MET H H 99 7.934 7.934 7.865 0.069 18485 4895 1 8 . 1 1 100 100 LEU N N 100 118.006 118.006 118.834 -0.828 18485 4896 1 8 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.897 -0.106 18485 4897 1 8 . 1 1 100 100 LEU C C 100 178.592 178.592 178.791 -0.199 18485 4898 1 8 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.102 0.500 18485 4899 1 8 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.342 -0.642 18485 4900 1 8 . 1 1 100 100 LEU H H 100 8.131 8.131 7.707 0.424 18485 4901 1 8 . 1 1 101 101 ARG N N 101 118.551 118.551 118.082 0.469 18485 4902 1 8 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.035 0.091 18485 4903 1 8 . 1 1 101 101 ARG C C 101 181.117 181.117 178.444 2.673 18485 4904 1 8 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.848 0.429 18485 4905 1 8 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.636 0.156 18485 4906 1 8 . 1 1 101 101 ARG H H 101 8.045 8.045 7.450 0.595 18485 4907 1 8 . 1 1 102 102 ASP N N 102 122.544 122.544 120.669 1.875 18485 4908 1 8 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.585 -0.180 18485 4909 1 8 . 1 1 102 102 ASP C C 102 178.405 178.405 177.987 0.418 18485 4910 1 8 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.369 0.933 18485 4911 1 8 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.763 -0.450 18485 4912 1 8 . 1 1 102 102 ASP H H 102 8.828 8.828 8.105 0.723 18485 4913 1 8 . 1 1 103 103 LYS N N 103 116.177 116.177 117.159 -0.982 18485 4914 1 8 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.510 -0.114 18485 4915 1 8 . 1 1 103 103 LYS C C 103 176.282 176.282 176.596 -0.314 18485 4916 1 8 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.892 0.432 18485 4917 1 8 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.961 -0.246 18485 4918 1 8 . 1 1 103 103 LYS H H 103 7.847 7.847 7.929 -0.082 18485 4919 1 8 . 1 1 104 104 GLY N N 104 108.597 108.597 107.130 1.467 18485 4920 1 8 . 1 1 104 104 GLY C C 104 174.450 174.450 174.641 -0.191 18485 4921 1 8 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.402 0.921 18485 4922 1 8 . 1 1 104 104 GLY H H 104 7.930 7.930 7.701 0.229 18485 4923 1 8 . 1 1 105 105 ILE N N 105 123.232 123.232 120.905 2.327 18485 4924 1 8 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.276 -0.167 18485 4925 1 8 . 1 1 105 105 ILE C C 105 175.374 175.374 176.500 -1.126 18485 4926 1 8 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.592 0.051 18485 4927 1 8 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.973 -0.285 18485 4928 1 8 . 1 1 105 105 ILE H H 105 8.323 8.323 8.083 0.240 18485 4929 1 8 . 1 1 106 106 THR N N 106 123.522 123.522 122.553 0.969 18485 4930 1 8 . 1 1 106 106 THR HA H 106 4.155 4.155 4.285 -0.130 18485 4931 1 8 . 1 1 106 106 THR C C 106 173.223 173.223 173.401 -0.178 18485 4932 1 8 . 1 1 106 106 THR CA C 106 63.189 63.189 63.332 -0.143 18485 4933 1 8 . 1 1 106 106 THR CB C 106 69.242 69.242 68.623 0.619 18485 4934 1 8 . 1 1 106 106 THR H H 106 8.521 8.521 8.623 -0.102 18485 4935 1 8 . 1 1 107 107 CYS N N 107 120.688 120.688 123.098 -2.410 18485 4936 1 8 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.359 -0.492 18485 4937 1 8 . 1 1 107 107 CYS C C 107 173.798 173.798 173.689 0.109 18485 4938 1 8 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.068 0.484 18485 4939 1 8 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.174 -0.712 18485 4940 1 8 . 1 1 107 107 CYS H H 107 8.247 8.247 8.181 0.066 18485 4941 1 8 . 1 1 108 108 ARG N N 108 122.349 122.349 121.604 0.745 18485 4942 1 8 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.246 0.045 18485 4943 1 8 . 1 1 108 108 ARG C C 108 175.547 175.547 175.626 -0.079 18485 4944 1 8 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.380 -0.080 18485 4945 1 8 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.952 0.324 18485 4946 1 8 . 1 1 108 108 ARG H H 108 8.512 8.512 8.597 -0.085 18485 4947 1 8 . 1 1 109 109 ASP N N 109 121.453 121.453 121.357 0.096 18485 4948 1 8 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.421 0.204 18485 4949 1 8 . 1 1 109 109 ASP C C 109 174.973 174.973 176.343 -1.370 18485 4950 1 8 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.428 -1.188 18485 4951 1 8 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.600 0.356 18485 4952 1 8 . 1 1 109 109 ASP H H 109 8.399 8.399 8.489 -0.090 18485 4953 1 9 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.087 0.326 18485 4954 1 9 . 1 1 2 2 ALA C C 2 177.283 177.283 176.291 0.992 18485 4955 1 9 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.246 0.038 18485 4956 1 9 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.211 0.293 18485 4957 1 9 . 1 1 3 3 MET N N 3 121.052 121.052 122.099 -1.047 18485 4958 1 9 . 1 1 3 3 MET HA H 3 4.458 4.458 4.444 0.014 18485 4959 1 9 . 1 1 3 3 MET C C 3 175.185 175.185 176.151 -0.966 18485 4960 1 9 . 1 1 3 3 MET CA C 3 56.001 56.001 55.547 0.454 18485 4961 1 9 . 1 1 3 3 MET CB C 3 34.282 34.282 32.995 1.287 18485 4962 1 9 . 1 1 3 3 MET H H 3 8.313 8.313 8.235 0.078 18485 4963 1 9 . 1 1 4 4 VAL N N 4 116.976 116.976 121.628 -4.652 18485 4964 1 9 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.687 -0.045 18485 4965 1 9 . 1 1 4 4 VAL C C 4 176.976 176.976 176.801 0.175 18485 4966 1 9 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.479 0.273 18485 4967 1 9 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.061 0.817 18485 4968 1 9 . 1 1 4 4 VAL H H 4 8.432 8.432 9.053 -0.621 18485 4969 1 9 . 1 1 5 5 LYS N N 5 123.795 123.795 122.737 1.058 18485 4970 1 9 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.037 -0.451 18485 4971 1 9 . 1 1 5 5 LYS C C 5 178.205 178.205 178.293 -0.088 18485 4972 1 9 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.992 1.071 18485 4973 1 9 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.020 0.203 18485 4974 1 9 . 1 1 5 5 LYS H H 5 8.725 8.725 8.742 -0.017 18485 4975 1 9 . 1 1 6 6 LYS N N 6 117.559 117.559 118.231 -0.672 18485 4976 1 9 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.085 -0.011 18485 4977 1 9 . 1 1 6 6 LYS C C 6 176.976 176.976 178.107 -1.131 18485 4978 1 9 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.436 -0.417 18485 4979 1 9 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.076 0.582 18485 4980 1 9 . 1 1 6 6 LYS H H 6 8.395 8.395 8.414 -0.019 18485 4981 1 9 . 1 1 7 7 ASP N N 7 116.710 116.710 119.524 -2.814 18485 4982 1 9 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.433 -0.069 18485 4983 1 9 . 1 1 7 7 ASP C C 7 179.180 179.180 178.368 0.812 18485 4984 1 9 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.504 -0.094 18485 4985 1 9 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.529 0.346 18485 4986 1 9 . 1 1 7 7 ASP H H 7 7.415 7.415 8.022 -0.607 18485 4987 1 9 . 1 1 8 8 ILE N N 8 120.990 120.990 119.989 1.001 18485 4988 1 9 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.506 -0.229 18485 4989 1 9 . 1 1 8 8 ILE C C 8 177.537 177.537 177.593 -0.056 18485 4990 1 9 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.808 -0.248 18485 4991 1 9 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.317 -0.248 18485 4992 1 9 . 1 1 8 8 ILE H H 8 7.302 7.302 7.185 0.117 18485 4993 1 9 . 1 1 9 9 ASP N N 9 120.214 120.214 120.582 -0.368 18485 4994 1 9 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.386 -0.179 18485 4995 1 9 . 1 1 9 9 ASP C C 9 178.564 178.564 178.487 0.077 18485 4996 1 9 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.456 0.552 18485 4997 1 9 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.081 0.800 18485 4998 1 9 . 1 1 9 9 ASP H H 9 7.884 7.884 8.012 -0.128 18485 4999 1 9 . 1 1 10 10 ASP N N 10 117.314 117.314 118.689 -1.375 18485 5000 1 9 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.513 -0.189 18485 5001 1 9 . 1 1 10 10 ASP C C 10 179.340 179.340 178.584 0.756 18485 5002 1 9 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.251 -0.065 18485 5003 1 9 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.502 -0.589 18485 5004 1 9 . 1 1 10 10 ASP H H 10 8.856 8.856 8.606 0.250 18485 5005 1 9 . 1 1 11 11 THR N N 11 119.032 119.032 117.248 1.784 18485 5006 1 9 . 1 1 11 11 THR HA H 11 4.061 4.061 4.098 -0.037 18485 5007 1 9 . 1 1 11 11 THR C C 11 175.574 175.574 176.322 -0.748 18485 5008 1 9 . 1 1 11 11 THR CA C 11 67.210 67.210 66.740 0.470 18485 5009 1 9 . 1 1 11 11 THR CB C 11 68.319 68.319 68.693 -0.374 18485 5010 1 9 . 1 1 11 11 THR H H 11 7.670 7.670 7.414 0.256 18485 5011 1 9 . 1 1 12 12 ILE N N 12 122.228 122.228 121.209 1.019 18485 5012 1 9 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.737 -0.098 18485 5013 1 9 . 1 1 12 12 ILE C C 12 177.455 177.455 177.532 -0.077 18485 5014 1 9 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.752 0.157 18485 5015 1 9 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.485 0.093 18485 5016 1 9 . 1 1 12 12 ILE H H 12 8.303 8.303 8.459 -0.156 18485 5017 1 9 . 1 1 13 13 LYS N N 13 114.462 114.462 115.650 -1.188 18485 5018 1 9 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.224 -0.090 18485 5019 1 9 . 1 1 13 13 LYS C C 13 177.547 177.547 177.475 0.072 18485 5020 1 9 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.386 0.014 18485 5021 1 9 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.835 0.171 18485 5022 1 9 . 1 1 13 13 LYS H H 13 7.709 7.709 7.915 -0.206 18485 5023 1 9 . 1 1 14 14 SER N N 14 112.642 112.642 113.278 -0.636 18485 5024 1 9 . 1 1 14 14 SER HA H 14 4.551 4.551 4.528 0.023 18485 5025 1 9 . 1 1 14 14 SER C C 14 174.532 174.532 175.337 -0.805 18485 5026 1 9 . 1 1 14 14 SER CA C 14 59.744 59.744 59.436 0.308 18485 5027 1 9 . 1 1 14 14 SER CB C 14 65.009 65.009 64.130 0.879 18485 5028 1 9 . 1 1 14 14 SER H H 14 7.749 7.749 7.658 0.091 18485 5029 1 9 . 1 1 15 15 GLU N N 15 121.266 121.266 120.913 0.353 18485 5030 1 9 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.321 0.243 18485 5031 1 9 . 1 1 15 15 GLU C C 15 176.789 176.789 176.815 -0.026 18485 5032 1 9 . 1 1 15 15 GLU CA C 15 54.445 54.445 56.090 -1.645 18485 5033 1 9 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.801 -0.475 18485 5034 1 9 . 1 1 15 15 GLU H H 15 8.101 8.101 7.928 0.173 18485 5035 1 9 . 1 1 16 16 ASP N N 16 122.253 122.253 119.568 2.685 18485 5036 1 9 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.778 -0.438 18485 5037 1 9 . 1 1 16 16 ASP C C 16 176.469 176.469 175.513 0.956 18485 5038 1 9 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.306 2.454 18485 5039 1 9 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.208 -1.390 18485 5040 1 9 . 1 1 16 16 ASP H H 16 8.685 8.685 8.765 -0.080 18485 5041 1 9 . 1 1 17 17 VAL N N 17 118.536 118.536 118.220 0.316 18485 5042 1 9 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.928 -0.013 18485 5043 1 9 . 1 1 17 17 VAL C C 17 174.452 174.452 174.048 0.404 18485 5044 1 9 . 1 1 17 17 VAL CA C 17 61.903 61.903 60.867 1.036 18485 5045 1 9 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.587 -0.210 18485 5046 1 9 . 1 1 17 17 VAL H H 17 8.547 8.547 7.820 0.727 18485 5047 1 9 . 1 1 18 18 VAL N N 18 125.917 125.917 127.060 -1.143 18485 5048 1 9 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.251 0.004 18485 5049 1 9 . 1 1 18 18 VAL C C 18 174.158 174.158 174.654 -0.496 18485 5050 1 9 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.290 -0.188 18485 5051 1 9 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.697 0.358 18485 5052 1 9 . 1 1 18 18 VAL H H 18 8.755 8.755 9.025 -0.270 18485 5053 1 9 . 1 1 19 19 THR N N 19 120.107 120.107 118.916 1.191 18485 5054 1 9 . 1 1 19 19 THR HA H 19 5.795 5.795 5.208 0.587 18485 5055 1 9 . 1 1 19 19 THR C C 19 171.126 171.126 172.706 -1.580 18485 5056 1 9 . 1 1 19 19 THR CA C 19 58.118 58.118 60.150 -2.032 18485 5057 1 9 . 1 1 19 19 THR CB C 19 72.547 72.547 71.692 0.855 18485 5058 1 9 . 1 1 19 19 THR H H 19 8.938 8.938 8.648 0.290 18485 5059 1 9 . 1 1 20 20 PHE N N 20 125.287 125.287 126.133 -0.846 18485 5060 1 9 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.634 -0.130 18485 5061 1 9 . 1 1 20 20 PHE C C 20 175.200 175.200 175.153 0.047 18485 5062 1 9 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.893 -0.395 18485 5063 1 9 . 1 1 20 20 PHE CB C 20 41.661 41.661 40.924 0.737 18485 5064 1 9 . 1 1 20 20 PHE H H 20 8.230 8.230 8.966 -0.736 18485 5065 1 9 . 1 1 21 21 ILE N N 21 114.660 114.660 117.291 -2.631 18485 5066 1 9 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.877 -0.065 18485 5067 1 9 . 1 1 21 21 ILE C C 21 173.918 173.918 173.930 -0.012 18485 5068 1 9 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.016 0.347 18485 5069 1 9 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.464 1.356 18485 5070 1 9 . 1 1 21 21 ILE H H 21 9.042 9.042 9.434 -0.392 18485 5071 1 9 . 1 1 22 22 LYS N N 22 117.197 117.197 122.371 -5.174 18485 5072 1 9 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.616 -0.013 18485 5073 1 9 . 1 1 22 22 LYS C C 22 175.935 175.935 175.469 0.466 18485 5074 1 9 . 1 1 22 22 LYS CA C 22 56.698 56.698 54.781 1.917 18485 5075 1 9 . 1 1 22 22 LYS CB C 22 33.193 33.193 32.238 0.955 18485 5076 1 9 . 1 1 22 22 LYS H H 22 8.581 8.581 8.483 0.098 18485 5077 1 9 . 1 1 23 23 GLY N N 23 117.108 117.108 108.580 8.528 18485 5078 1 9 . 1 1 23 23 GLY C C 23 170.793 170.793 172.562 -1.769 18485 5079 1 9 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.771 -0.134 18485 5080 1 9 . 1 1 23 23 GLY H H 23 9.178 9.178 7.551 1.627 18485 5081 1 9 . 1 1 24 24 LEU N N 24 117.859 117.859 121.405 -3.546 18485 5082 1 9 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.661 0.199 18485 5083 1 9 . 1 1 24 24 LEU C C 24 176.709 176.709 176.174 0.535 18485 5084 1 9 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.459 -1.509 18485 5085 1 9 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.541 1.467 18485 5086 1 9 . 1 1 24 24 LEU H H 24 7.162 7.162 7.952 -0.790 18485 5087 1 9 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.504 -0.551 18485 5088 1 9 . 1 1 25 25 PRO C C 25 177.190 177.190 177.531 -0.341 18485 5089 1 9 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.974 1.348 18485 5090 1 9 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.338 -0.614 18485 5091 1 9 . 1 1 26 26 GLU N N 26 111.260 111.260 117.205 -5.945 18485 5092 1 9 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.196 0.009 18485 5093 1 9 . 1 1 26 26 GLU C C 26 176.429 176.429 176.465 -0.036 18485 5094 1 9 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.619 -0.876 18485 5095 1 9 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.298 -0.600 18485 5096 1 9 . 1 1 26 26 GLU H H 26 8.807 8.807 8.335 0.472 18485 5097 1 9 . 1 1 27 27 ALA N N 27 122.547 122.547 122.965 -0.418 18485 5098 1 9 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.613 -0.026 18485 5099 1 9 . 1 1 27 27 ALA C C 27 172.342 172.342 174.913 -2.571 18485 5100 1 9 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.003 0.881 18485 5101 1 9 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.878 -0.183 18485 5102 1 9 . 1 1 27 27 ALA H H 27 7.856 7.856 7.715 0.141 18485 5103 1 9 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.609 0.033 18485 5104 1 9 . 1 1 28 28 PRO C C 28 178.512 178.512 176.426 2.086 18485 5105 1 9 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.937 0.169 18485 5106 1 9 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.571 -0.506 18485 5107 1 9 . 1 1 29 29 MET N N 29 119.426 119.426 119.268 0.158 18485 5108 1 9 . 1 1 29 29 MET HA H 29 4.758 4.758 4.449 0.309 18485 5109 1 9 . 1 1 29 29 MET C C 29 175.374 175.374 175.663 -0.289 18485 5110 1 9 . 1 1 29 29 MET CA C 29 54.594 54.594 56.030 -1.436 18485 5111 1 9 . 1 1 29 29 MET CB C 29 33.036 33.036 32.751 0.285 18485 5112 1 9 . 1 1 29 29 MET H H 29 8.828 8.828 8.733 0.095 18485 5113 1 9 . 1 1 30 30 CYS N N 30 116.089 116.089 118.263 -2.174 18485 5114 1 9 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.646 0.206 18485 5115 1 9 . 1 1 30 30 CYS C C 30 176.028 176.028 174.650 1.378 18485 5116 1 9 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.883 0.842 18485 5117 1 9 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.245 2.014 18485 5118 1 9 . 1 1 30 30 CYS H H 30 7.455 7.455 7.480 -0.025 18485 5119 1 9 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.023 0.057 18485 5120 1 9 . 1 1 31 31 ALA C C 31 180.222 180.222 178.946 1.276 18485 5121 1 9 . 1 1 31 31 ALA CA C 31 54.694 54.694 55.151 -0.457 18485 5122 1 9 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.583 0.098 18485 5123 1 9 . 1 1 32 32 TYR N N 32 121.972 121.972 116.916 5.056 18485 5124 1 9 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.207 0.126 18485 5125 1 9 . 1 1 32 32 TYR C C 32 178.673 178.673 178.344 0.329 18485 5126 1 9 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.495 -1.565 18485 5127 1 9 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.657 -0.620 18485 5128 1 9 . 1 1 32 32 TYR H H 32 8.846 8.846 8.164 0.682 18485 5129 1 9 . 1 1 33 33 SER N N 33 125.375 125.375 115.070 10.305 18485 5130 1 9 . 1 1 33 33 SER HA H 33 4.013 4.013 4.189 -0.176 18485 5131 1 9 . 1 1 33 33 SER C C 33 174.906 174.906 176.246 -1.340 18485 5132 1 9 . 1 1 33 33 SER CA C 33 64.417 64.417 62.651 1.766 18485 5133 1 9 . 1 1 33 33 SER CB C 33 62.687 62.687 62.594 0.093 18485 5134 1 9 . 1 1 33 33 SER H H 33 10.272 10.272 8.019 2.253 18485 5135 1 9 . 1 1 34 34 LYS N N 34 121.216 121.216 122.828 -1.612 18485 5136 1 9 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.006 -0.153 18485 5137 1 9 . 1 1 34 34 LYS C C 34 177.083 177.083 178.780 -1.697 18485 5138 1 9 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.005 0.658 18485 5139 1 9 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.271 -0.121 18485 5140 1 9 . 1 1 34 34 LYS H H 34 8.024 8.024 8.192 -0.168 18485 5141 1 9 . 1 1 35 35 ARG N N 35 117.269 117.269 119.149 -1.880 18485 5142 1 9 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.078 0.071 18485 5143 1 9 . 1 1 35 35 ARG C C 35 178.058 178.058 178.937 -0.879 18485 5144 1 9 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.324 0.652 18485 5145 1 9 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.705 0.007 18485 5146 1 9 . 1 1 35 35 ARG H H 35 7.559 7.559 8.234 -0.675 18485 5147 1 9 . 1 1 36 36 MET N N 36 117.954 117.954 119.892 -1.938 18485 5148 1 9 . 1 1 36 36 MET HA H 36 4.068 4.068 4.137 -0.069 18485 5149 1 9 . 1 1 36 36 MET C C 36 176.963 176.963 177.940 -0.977 18485 5150 1 9 . 1 1 36 36 MET CA C 36 58.195 58.195 58.270 -0.075 18485 5151 1 9 . 1 1 36 36 MET CB C 36 31.742 31.742 32.427 -0.685 18485 5152 1 9 . 1 1 36 36 MET H H 36 8.027 8.027 8.214 -0.187 18485 5153 1 9 . 1 1 37 37 ILE N N 37 118.650 118.650 118.887 -0.237 18485 5154 1 9 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.495 0.025 18485 5155 1 9 . 1 1 37 37 ILE C C 37 177.631 177.631 178.070 -0.439 18485 5156 1 9 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.899 -2.026 18485 5157 1 9 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.473 -1.301 18485 5158 1 9 . 1 1 37 37 ILE H H 37 7.825 7.825 8.015 -0.190 18485 5159 1 9 . 1 1 38 38 ASP N N 38 119.229 119.229 119.453 -0.224 18485 5160 1 9 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.364 -0.034 18485 5161 1 9 . 1 1 38 38 ASP C C 38 180.208 180.208 178.503 1.705 18485 5162 1 9 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.574 -0.044 18485 5163 1 9 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.823 -0.853 18485 5164 1 9 . 1 1 38 38 ASP H H 38 8.629 8.629 8.319 0.310 18485 5165 1 9 . 1 1 39 39 VAL N N 39 121.475 121.475 120.007 1.468 18485 5166 1 9 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.707 -0.132 18485 5167 1 9 . 1 1 39 39 VAL C C 39 177.056 177.056 177.887 -0.831 18485 5168 1 9 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.012 0.798 18485 5169 1 9 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.561 -0.066 18485 5170 1 9 . 1 1 39 39 VAL H H 39 7.879 7.879 7.349 0.530 18485 5171 1 9 . 1 1 40 40 LEU N N 40 118.145 118.145 119.399 -1.254 18485 5172 1 9 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.894 -0.120 18485 5173 1 9 . 1 1 40 40 LEU C C 40 179.794 179.794 178.911 0.883 18485 5174 1 9 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.089 0.075 18485 5175 1 9 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.191 -0.594 18485 5176 1 9 . 1 1 40 40 LEU H H 40 7.574 7.574 7.427 0.147 18485 5177 1 9 . 1 1 41 41 GLU N N 41 116.305 116.305 118.609 -2.304 18485 5178 1 9 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.263 0.034 18485 5179 1 9 . 1 1 41 41 GLU C C 41 181.117 181.117 179.651 1.466 18485 5180 1 9 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.005 -0.453 18485 5181 1 9 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.789 -0.668 18485 5182 1 9 . 1 1 41 41 GLU H H 41 8.871 8.871 8.648 0.223 18485 5183 1 9 . 1 1 42 42 ALA N N 42 124.797 124.797 123.346 1.451 18485 5184 1 9 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.128 0.037 18485 5185 1 9 . 1 1 42 42 ALA C C 42 180.275 180.275 178.956 1.319 18485 5186 1 9 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.749 0.230 18485 5187 1 9 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.656 -0.997 18485 5188 1 9 . 1 1 42 42 ALA H H 42 8.285 8.285 8.094 0.191 18485 5189 1 9 . 1 1 43 43 LEU N N 43 115.767 115.767 114.580 1.187 18485 5190 1 9 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.177 0.072 18485 5191 1 9 . 1 1 43 43 LEU C C 43 177.177 177.177 177.027 0.150 18485 5192 1 9 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.763 0.643 18485 5193 1 9 . 1 1 43 43 LEU CB C 43 43.483 43.483 41.662 1.821 18485 5194 1 9 . 1 1 43 43 LEU H H 43 7.528 7.528 7.599 -0.071 18485 5195 1 9 . 1 1 44 44 GLY N N 44 108.593 108.593 107.145 1.448 18485 5196 1 9 . 1 1 44 44 GLY C C 44 175.011 175.011 174.762 0.249 18485 5197 1 9 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.543 0.798 18485 5198 1 9 . 1 1 44 44 GLY H H 44 7.927 7.927 7.463 0.464 18485 5199 1 9 . 1 1 45 45 LEU N N 45 117.269 117.269 117.304 -0.035 18485 5200 1 9 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.754 -0.302 18485 5201 1 9 . 1 1 45 45 LEU C C 45 176.976 176.976 177.021 -0.045 18485 5202 1 9 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.837 0.563 18485 5203 1 9 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.167 -0.451 18485 5204 1 9 . 1 1 45 45 LEU H H 45 7.482 7.482 7.665 -0.183 18485 5205 1 9 . 1 1 46 46 GLU N N 46 121.177 121.177 120.193 0.984 18485 5206 1 9 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.517 -0.054 18485 5207 1 9 . 1 1 46 46 GLU C C 46 176.135 176.135 174.891 1.244 18485 5208 1 9 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.489 0.035 18485 5209 1 9 . 1 1 46 46 GLU CB C 46 30.233 30.233 31.949 -1.716 18485 5210 1 9 . 1 1 46 46 GLU H H 46 8.250 8.250 8.713 -0.463 18485 5211 1 9 . 1 1 47 47 TYR N N 47 119.617 119.617 118.662 0.955 18485 5212 1 9 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.168 0.130 18485 5213 1 9 . 1 1 47 47 TYR C C 47 173.798 173.798 174.454 -0.656 18485 5214 1 9 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.748 0.076 18485 5215 1 9 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.144 0.927 18485 5216 1 9 . 1 1 47 47 TYR H H 47 7.874 7.874 7.797 0.077 18485 5217 1 9 . 1 1 48 48 THR N N 48 117.577 117.577 117.743 -0.166 18485 5218 1 9 . 1 1 48 48 THR HA H 48 4.266 4.266 4.467 -0.201 18485 5219 1 9 . 1 1 48 48 THR C C 48 171.941 171.941 173.088 -1.147 18485 5220 1 9 . 1 1 48 48 THR CA C 48 62.299 62.299 61.671 0.628 18485 5221 1 9 . 1 1 48 48 THR CB C 48 70.899 70.899 70.740 0.159 18485 5222 1 9 . 1 1 48 48 THR H H 48 8.549 8.549 8.465 0.084 18485 5223 1 9 . 1 1 49 49 SER N N 49 121.488 121.488 120.515 0.973 18485 5224 1 9 . 1 1 49 49 SER HA H 49 5.516 5.516 4.963 0.553 18485 5225 1 9 . 1 1 49 49 SER C C 49 173.691 173.691 173.170 0.521 18485 5226 1 9 . 1 1 49 49 SER CA C 49 55.758 55.758 56.844 -1.086 18485 5227 1 9 . 1 1 49 49 SER CB C 49 66.386 66.386 64.474 1.912 18485 5228 1 9 . 1 1 49 49 SER H H 49 8.536 8.536 8.370 0.166 18485 5229 1 9 . 1 1 50 50 PHE N N 50 124.791 124.791 125.034 -0.243 18485 5230 1 9 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.649 0.066 18485 5231 1 9 . 1 1 50 50 PHE C C 50 173.608 173.608 174.002 -0.394 18485 5232 1 9 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.044 0.295 18485 5233 1 9 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.045 1.484 18485 5234 1 9 . 1 1 50 50 PHE H H 50 8.627 8.627 9.134 -0.507 18485 5235 1 9 . 1 1 51 51 ASP N N 51 120.606 120.606 122.368 -1.762 18485 5236 1 9 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.456 -0.086 18485 5237 1 9 . 1 1 51 51 ASP C C 51 178.779 178.779 177.792 0.987 18485 5238 1 9 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.199 0.035 18485 5239 1 9 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.603 0.572 18485 5240 1 9 . 1 1 51 51 ASP H H 51 8.415 8.415 8.656 -0.241 18485 5241 1 9 . 1 1 52 52 VAL N N 52 119.623 119.623 117.472 2.151 18485 5242 1 9 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.093 0.013 18485 5243 1 9 . 1 1 52 52 VAL C C 52 176.682 176.682 175.988 0.694 18485 5244 1 9 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.291 -0.964 18485 5245 1 9 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.809 -0.035 18485 5246 1 9 . 1 1 52 52 VAL H H 52 9.307 9.307 7.889 1.418 18485 5247 1 9 . 1 1 53 53 LEU N N 53 118.392 118.392 118.693 -0.301 18485 5248 1 9 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.373 -0.115 18485 5249 1 9 . 1 1 53 53 LEU C C 53 179.153 179.153 177.873 1.280 18485 5250 1 9 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.794 -0.031 18485 5251 1 9 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.763 -0.728 18485 5252 1 9 . 1 1 53 53 LEU H H 53 9.008 9.008 8.070 0.938 18485 5253 1 9 . 1 1 54 54 ALA N N 54 119.577 119.577 120.325 -0.748 18485 5254 1 9 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.436 -0.196 18485 5255 1 9 . 1 1 54 54 ALA C C 54 177.657 177.657 177.024 0.633 18485 5256 1 9 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.846 0.542 18485 5257 1 9 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.762 -0.643 18485 5258 1 9 . 1 1 54 54 ALA H H 54 7.304 7.304 7.619 -0.315 18485 5259 1 9 . 1 1 55 55 HIS N N 55 114.383 114.383 116.972 -2.589 18485 5260 1 9 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.823 0.301 18485 5261 1 9 . 1 1 55 55 HIS C C 55 174.238 174.238 173.078 1.160 18485 5262 1 9 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.550 -0.456 18485 5263 1 9 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.878 0.911 18485 5264 1 9 . 1 1 55 55 HIS H H 55 6.894 6.894 7.815 -0.921 18485 5265 1 9 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.327 -0.001 18485 5266 1 9 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.156 0.106 18485 5267 1 9 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.474 -0.432 18485 5268 1 9 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.707 0.280 18485 5269 1 9 . 1 1 57 57 VAL C C 57 177.804 177.804 178.081 -0.277 18485 5270 1 9 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.058 -0.731 18485 5271 1 9 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.665 -0.444 18485 5272 1 9 . 1 1 57 57 VAL H H 57 9.778 9.778 7.440 2.338 18485 5273 1 9 . 1 1 58 58 VAL N N 58 120.641 120.641 119.675 0.966 18485 5274 1 9 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.705 -0.173 18485 5275 1 9 . 1 1 58 58 VAL C C 58 177.270 177.270 177.348 -0.078 18485 5276 1 9 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.613 -0.703 18485 5277 1 9 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.548 -0.126 18485 5278 1 9 . 1 1 58 58 VAL H H 58 7.540 7.540 7.687 -0.147 18485 5279 1 9 . 1 1 59 59 ARG N N 59 118.263 118.263 119.004 -0.741 18485 5280 1 9 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.047 -0.133 18485 5281 1 9 . 1 1 59 59 ARG C C 59 178.579 178.579 178.367 0.212 18485 5282 1 9 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.239 0.740 18485 5283 1 9 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.669 0.283 18485 5284 1 9 . 1 1 59 59 ARG H H 59 7.536 7.536 7.536 0.000 18485 5285 1 9 . 1 1 60 60 SER N N 60 113.091 113.091 115.183 -2.092 18485 5286 1 9 . 1 1 60 60 SER HA H 60 4.161 4.161 4.187 -0.026 18485 5287 1 9 . 1 1 60 60 SER C C 60 175.761 175.761 176.100 -0.339 18485 5288 1 9 . 1 1 60 60 SER CA C 60 61.435 61.435 60.832 0.603 18485 5289 1 9 . 1 1 60 60 SER CB C 60 62.721 62.721 63.255 -0.534 18485 5290 1 9 . 1 1 60 60 SER H H 60 8.204 8.204 8.096 0.108 18485 5291 1 9 . 1 1 61 61 TYR N N 61 123.436 123.436 122.853 0.583 18485 5292 1 9 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.090 -0.208 18485 5293 1 9 . 1 1 61 61 TYR C C 61 177.731 177.731 177.142 0.589 18485 5294 1 9 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.579 0.449 18485 5295 1 9 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.497 0.658 18485 5296 1 9 . 1 1 61 61 TYR H H 61 8.024 8.024 8.153 -0.129 18485 5297 1 9 . 1 1 62 62 VAL N N 62 115.253 115.253 115.173 0.080 18485 5298 1 9 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.619 -0.090 18485 5299 1 9 . 1 1 62 62 VAL C C 62 176.990 176.990 177.284 -0.294 18485 5300 1 9 . 1 1 62 62 VAL CA C 62 65.224 65.224 64.613 0.611 18485 5301 1 9 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.555 0.881 18485 5302 1 9 . 1 1 62 62 VAL H H 62 7.754 7.754 7.415 0.339 18485 5303 1 9 . 1 1 63 63 LYS N N 63 117.543 117.543 118.726 -1.183 18485 5304 1 9 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.074 -0.045 18485 5305 1 9 . 1 1 63 63 LYS C C 63 177.549 177.549 178.088 -0.539 18485 5306 1 9 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.111 0.216 18485 5307 1 9 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.130 0.631 18485 5308 1 9 . 1 1 63 63 LYS H H 63 7.367 7.367 7.689 -0.322 18485 5309 1 9 . 1 1 64 64 GLU N N 64 116.093 116.093 116.488 -0.395 18485 5310 1 9 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.245 -0.131 18485 5311 1 9 . 1 1 64 64 GLU C C 64 177.547 177.547 177.088 0.459 18485 5312 1 9 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.039 -0.534 18485 5313 1 9 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.154 -0.777 18485 5314 1 9 . 1 1 64 64 GLU H H 64 7.701 7.701 7.458 0.243 18485 5315 1 9 . 1 1 65 65 VAL N N 65 116.739 116.739 117.965 -1.226 18485 5316 1 9 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.865 -0.030 18485 5317 1 9 . 1 1 65 65 VAL C C 65 176.335 176.335 176.003 0.332 18485 5318 1 9 . 1 1 65 65 VAL CA C 65 63.496 63.496 64.237 -0.741 18485 5319 1 9 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.299 -0.056 18485 5320 1 9 . 1 1 65 65 VAL H H 65 7.608 7.608 8.013 -0.405 18485 5321 1 9 . 1 1 66 66 SER N N 66 114.353 114.353 112.619 1.734 18485 5322 1 9 . 1 1 66 66 SER HA H 66 4.230 4.230 4.113 0.117 18485 5323 1 9 . 1 1 66 66 SER C C 66 174.345 174.345 174.516 -0.171 18485 5324 1 9 . 1 1 66 66 SER CA C 66 58.038 58.038 58.257 -0.219 18485 5325 1 9 . 1 1 66 66 SER CB C 66 63.898 63.898 63.277 0.621 18485 5326 1 9 . 1 1 66 66 SER H H 66 7.526 7.526 7.784 -0.258 18485 5327 1 9 . 1 1 67 67 GLU N N 67 121.681 121.681 117.226 4.455 18485 5328 1 9 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.939 -0.074 18485 5329 1 9 . 1 1 67 67 GLU C C 67 175.748 175.748 175.088 0.660 18485 5330 1 9 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.344 0.500 18485 5331 1 9 . 1 1 67 67 GLU CB C 67 29.380 29.380 28.030 1.350 18485 5332 1 9 . 1 1 67 67 GLU H H 67 7.966 7.966 7.887 0.079 18485 5333 1 9 . 1 1 68 68 TRP N N 68 119.264 119.264 120.439 -1.175 18485 5334 1 9 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.804 0.131 18485 5335 1 9 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.456 -0.600 18485 5336 1 9 . 1 1 68 68 TRP CB C 68 30.717 30.717 30.579 0.138 18485 5337 1 9 . 1 1 68 68 TRP H H 68 7.633 7.633 7.346 0.287 18485 5338 1 9 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.368 0.074 18485 5339 1 9 . 1 1 69 69 PRO C C 69 176.375 176.375 176.629 -0.254 18485 5340 1 9 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.259 0.308 18485 5341 1 9 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.857 -0.344 18485 5342 1 9 . 1 1 70 70 THR N N 70 114.312 114.312 115.941 -1.629 18485 5343 1 9 . 1 1 70 70 THR HA H 70 4.344 4.344 4.322 0.022 18485 5344 1 9 . 1 1 70 70 THR C C 70 172.275 172.275 173.918 -1.643 18485 5345 1 9 . 1 1 70 70 THR CA C 70 61.465 61.465 63.391 -1.926 18485 5346 1 9 . 1 1 70 70 THR CB C 70 70.433 70.433 69.732 0.701 18485 5347 1 9 . 1 1 70 70 THR H H 70 7.162 7.162 7.437 -0.275 18485 5348 1 9 . 1 1 71 71 ILE N N 71 123.770 123.770 124.716 -0.946 18485 5349 1 9 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.450 0.052 18485 5350 1 9 . 1 1 71 71 ILE C C 71 175.106 175.106 175.189 -0.083 18485 5351 1 9 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.206 -1.451 18485 5352 1 9 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.178 1.899 18485 5353 1 9 . 1 1 71 71 ILE H H 71 8.398 8.398 8.321 0.077 18485 5354 1 9 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.982 0.576 18485 5355 1 9 . 1 1 72 72 PRO C C 72 175.507 175.507 175.698 -0.191 18485 5356 1 9 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.635 -0.197 18485 5357 1 9 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.240 4.416 18485 5358 1 9 . 1 1 73 73 GLN N N 73 112.013 112.013 116.408 -4.395 18485 5359 1 9 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.375 -0.283 18485 5360 1 9 . 1 1 73 73 GLN C C 73 174.559 174.559 174.399 0.160 18485 5361 1 9 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.321 1.208 18485 5362 1 9 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.477 0.963 18485 5363 1 9 . 1 1 73 73 GLN H H 73 8.521 8.521 9.012 -0.491 18485 5364 1 9 . 1 1 74 74 LEU N N 74 124.684 124.684 121.477 3.207 18485 5365 1 9 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.159 0.173 18485 5366 1 9 . 1 1 74 74 LEU C C 74 172.761 172.761 174.635 -1.874 18485 5367 1 9 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.816 0.739 18485 5368 1 9 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.344 0.698 18485 5369 1 9 . 1 1 74 74 LEU H H 74 8.266 8.266 8.885 -0.619 18485 5370 1 9 . 1 1 75 75 PHE N N 75 126.827 126.827 123.327 3.500 18485 5371 1 9 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.570 -0.327 18485 5372 1 9 . 1 1 75 75 PHE C C 75 174.813 174.813 174.814 -0.001 18485 5373 1 9 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.530 0.538 18485 5374 1 9 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.412 -0.763 18485 5375 1 9 . 1 1 75 75 PHE H H 75 9.692 9.692 9.330 0.362 18485 5376 1 9 . 1 1 76 76 ILE N N 76 118.421 118.421 122.793 -4.372 18485 5377 1 9 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.914 0.189 18485 5378 1 9 . 1 1 76 76 ILE C C 76 176.242 176.242 176.405 -0.163 18485 5379 1 9 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.042 0.151 18485 5380 1 9 . 1 1 76 76 ILE CB C 76 40.525 40.525 39.675 0.850 18485 5381 1 9 . 1 1 76 76 ILE H H 76 8.612 8.612 9.172 -0.560 18485 5382 1 9 . 1 1 77 77 LYS N N 77 129.856 129.856 127.115 2.741 18485 5383 1 9 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.925 0.267 18485 5384 1 9 . 1 1 77 77 LYS C C 77 175.887 175.887 176.456 -0.569 18485 5385 1 9 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.317 -0.716 18485 5386 1 9 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.602 0.997 18485 5387 1 9 . 1 1 77 77 LYS H H 77 10.357 10.357 9.204 1.153 18485 5388 1 9 . 1 1 78 78 ALA N N 78 114.323 114.323 116.276 -1.953 18485 5389 1 9 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.087 -0.249 18485 5390 1 9 . 1 1 78 78 ALA C C 78 175.949 175.949 176.664 -0.715 18485 5391 1 9 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.596 -0.078 18485 5392 1 9 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.597 -0.362 18485 5393 1 9 . 1 1 78 78 ALA H H 78 9.554 9.554 8.782 0.772 18485 5394 1 9 . 1 1 79 79 GLU N N 79 120.498 120.498 119.351 1.147 18485 5395 1 9 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.651 0.113 18485 5396 1 9 . 1 1 79 79 GLU C C 79 175.200 175.200 175.270 -0.070 18485 5397 1 9 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.361 0.410 18485 5398 1 9 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.114 -0.112 18485 5399 1 9 . 1 1 79 79 GLU H H 79 8.219 8.219 7.881 0.338 18485 5400 1 9 . 1 1 80 80 PHE N N 80 125.962 125.962 125.603 0.359 18485 5401 1 9 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.958 -0.566 18485 5402 1 9 . 1 1 80 80 PHE C C 80 175.280 175.280 174.493 0.787 18485 5403 1 9 . 1 1 80 80 PHE CA C 80 58.259 58.259 57.303 0.956 18485 5404 1 9 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.334 -0.786 18485 5405 1 9 . 1 1 80 80 PHE H H 80 8.935 8.935 8.599 0.336 18485 5406 1 9 . 1 1 81 81 VAL N N 81 128.637 128.637 127.091 1.546 18485 5407 1 9 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.658 0.111 18485 5408 1 9 . 1 1 81 81 VAL C C 81 174.733 174.733 175.117 -0.384 18485 5409 1 9 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.526 0.513 18485 5410 1 9 . 1 1 81 81 VAL CB C 81 32.638 32.638 32.782 -0.144 18485 5411 1 9 . 1 1 81 81 VAL H H 81 8.288 8.288 8.286 0.002 18485 5412 1 9 . 1 1 82 82 GLY N N 82 100.310 100.310 104.484 -4.174 18485 5413 1 9 . 1 1 82 82 GLY C C 82 172.515 172.515 172.383 0.132 18485 5414 1 9 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.284 0.936 18485 5415 1 9 . 1 1 82 82 GLY H H 82 5.816 5.816 6.643 -0.827 18485 5416 1 9 . 1 1 83 83 GLY N N 83 104.342 104.342 106.493 -2.151 18485 5417 1 9 . 1 1 83 83 GLY C C 83 173.758 173.758 174.962 -1.204 18485 5418 1 9 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.968 -0.145 18485 5419 1 9 . 1 1 83 83 GLY H H 83 7.401 7.401 8.067 -0.666 18485 5420 1 9 . 1 1 84 84 LEU N N 84 118.350 118.350 121.776 -3.426 18485 5421 1 9 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.179 -0.399 18485 5422 1 9 . 1 1 84 84 LEU C C 84 178.245 178.245 178.749 -0.504 18485 5423 1 9 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.736 0.518 18485 5424 1 9 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.670 0.932 18485 5425 1 9 . 1 1 84 84 LEU H H 84 8.807 8.807 8.609 0.198 18485 5426 1 9 . 1 1 85 85 ASP N N 85 118.373 118.373 118.218 0.155 18485 5427 1 9 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.379 -0.113 18485 5428 1 9 . 1 1 85 85 ASP C C 85 178.296 178.296 178.143 0.153 18485 5429 1 9 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.229 0.383 18485 5430 1 9 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.477 -0.978 18485 5431 1 9 . 1 1 85 85 ASP H H 85 8.697 8.697 8.700 -0.003 18485 5432 1 9 . 1 1 86 86 ILE N N 86 120.495 120.495 118.644 1.851 18485 5433 1 9 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.920 -0.074 18485 5434 1 9 . 1 1 86 86 ILE C C 86 177.657 177.657 178.142 -0.485 18485 5435 1 9 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.642 -0.784 18485 5436 1 9 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.051 0.462 18485 5437 1 9 . 1 1 86 86 ILE H H 86 7.605 7.605 7.532 0.074 18485 5438 1 9 . 1 1 87 87 VAL N N 87 120.596 120.596 116.721 3.875 18485 5439 1 9 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.689 -0.382 18485 5440 1 9 . 1 1 87 87 VAL C C 87 177.629 177.629 177.656 -0.027 18485 5441 1 9 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.688 1.023 18485 5442 1 9 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.996 0.669 18485 5443 1 9 . 1 1 87 87 VAL H H 87 7.934 7.934 7.978 -0.044 18485 5444 1 9 . 1 1 88 88 THR N N 88 112.971 112.971 113.885 -0.914 18485 5445 1 9 . 1 1 88 88 THR HA H 88 3.822 3.822 3.997 -0.175 18485 5446 1 9 . 1 1 88 88 THR C C 88 176.896 176.896 176.627 0.269 18485 5447 1 9 . 1 1 88 88 THR CA C 88 66.898 66.898 66.212 0.686 18485 5448 1 9 . 1 1 88 88 THR CB C 88 68.370 68.370 68.345 0.025 18485 5449 1 9 . 1 1 88 88 THR H H 88 8.719 8.719 7.813 0.906 18485 5450 1 9 . 1 1 89 89 LYS N N 89 123.633 123.633 122.971 0.662 18485 5451 1 9 . 1 1 89 89 LYS HA H 89 4.149 4.149 3.975 0.174 18485 5452 1 9 . 1 1 89 89 LYS C C 89 179.648 179.648 179.250 0.398 18485 5453 1 9 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.344 0.282 18485 5454 1 9 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.092 -0.004 18485 5455 1 9 . 1 1 89 89 LYS H H 89 7.568 7.568 8.087 -0.519 18485 5456 1 9 . 1 1 90 90 MET N N 90 118.147 118.147 118.487 -0.340 18485 5457 1 9 . 1 1 90 90 MET HA H 90 4.333 4.333 4.293 0.040 18485 5458 1 9 . 1 1 90 90 MET C C 90 179.634 179.634 178.945 0.689 18485 5459 1 9 . 1 1 90 90 MET CA C 90 58.590 58.590 58.831 -0.241 18485 5460 1 9 . 1 1 90 90 MET CB C 90 34.033 34.033 32.940 1.093 18485 5461 1 9 . 1 1 90 90 MET H H 90 8.520 8.520 8.366 0.154 18485 5462 1 9 . 1 1 91 91 LEU N N 91 124.789 124.789 122.678 2.111 18485 5463 1 9 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.942 0.258 18485 5464 1 9 . 1 1 91 91 LEU C C 91 179.696 179.696 178.677 1.019 18485 5465 1 9 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.886 0.195 18485 5466 1 9 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.920 -0.059 18485 5467 1 9 . 1 1 91 91 LEU H H 91 8.792 8.792 8.137 0.655 18485 5468 1 9 . 1 1 92 92 GLU N N 92 118.965 118.965 117.929 1.036 18485 5469 1 9 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.061 -0.044 18485 5470 1 9 . 1 1 92 92 GLU C C 92 178.352 178.352 178.543 -0.191 18485 5471 1 9 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.807 0.271 18485 5472 1 9 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.693 -0.002 18485 5473 1 9 . 1 1 92 92 GLU H H 92 7.999 7.999 8.372 -0.373 18485 5474 1 9 . 1 1 93 93 SER N N 93 111.381 111.381 111.946 -0.565 18485 5475 1 9 . 1 1 93 93 SER HA H 93 4.406 4.406 4.436 -0.030 18485 5476 1 9 . 1 1 93 93 SER C C 93 175.948 175.948 175.497 0.451 18485 5477 1 9 . 1 1 93 93 SER CA C 93 59.192 59.192 58.476 0.716 18485 5478 1 9 . 1 1 93 93 SER CB C 93 64.227 64.227 63.985 0.242 18485 5479 1 9 . 1 1 93 93 SER H H 93 8.270 8.270 7.761 0.509 18485 5480 1 9 . 1 1 94 94 GLY N N 94 109.172 109.172 110.073 -0.901 18485 5481 1 9 . 1 1 94 94 GLY C C 94 174.906 174.906 175.088 -0.182 18485 5482 1 9 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.752 -0.369 18485 5483 1 9 . 1 1 94 94 GLY H H 94 7.406 7.406 7.675 -0.269 18485 5484 1 9 . 1 1 95 95 ASP N N 95 122.640 122.640 121.989 0.651 18485 5485 1 9 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.468 0.011 18485 5486 1 9 . 1 1 95 95 ASP C C 95 178.486 178.486 177.410 1.076 18485 5487 1 9 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.271 -0.020 18485 5488 1 9 . 1 1 95 95 ASP CB C 95 41.370 41.370 41.032 0.338 18485 5489 1 9 . 1 1 95 95 ASP H H 95 8.337 8.337 7.596 0.741 18485 5490 1 9 . 1 1 96 96 LEU N N 96 122.329 122.329 120.154 2.175 18485 5491 1 9 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.087 -0.006 18485 5492 1 9 . 1 1 96 96 LEU C C 96 177.070 177.070 178.538 -1.468 18485 5493 1 9 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.221 -0.261 18485 5494 1 9 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.575 -0.673 18485 5495 1 9 . 1 1 96 96 LEU H H 96 7.992 7.992 8.087 -0.095 18485 5496 1 9 . 1 1 97 97 LYS N N 97 118.159 118.159 117.804 0.355 18485 5497 1 9 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.950 -0.029 18485 5498 1 9 . 1 1 97 97 LYS C C 97 178.245 178.245 178.710 -0.465 18485 5499 1 9 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.658 0.442 18485 5500 1 9 . 1 1 97 97 LYS CB C 97 31.928 31.928 32.006 -0.078 18485 5501 1 9 . 1 1 97 97 LYS H H 97 8.254 8.254 8.210 0.044 18485 5502 1 9 . 1 1 98 98 LYS N N 98 117.677 117.677 120.524 -2.847 18485 5503 1 9 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.011 -0.074 18485 5504 1 9 . 1 1 98 98 LYS C C 98 177.471 177.471 178.854 -1.383 18485 5505 1 9 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.367 0.562 18485 5506 1 9 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.399 0.341 18485 5507 1 9 . 1 1 98 98 LYS H H 98 7.388 7.388 7.874 -0.486 18485 5508 1 9 . 1 1 99 99 MET N N 99 119.426 119.426 119.077 0.349 18485 5509 1 9 . 1 1 99 99 MET HA H 99 4.138 4.138 4.130 0.008 18485 5510 1 9 . 1 1 99 99 MET C C 99 178.018 178.018 178.409 -0.391 18485 5511 1 9 . 1 1 99 99 MET CA C 99 59.151 59.151 59.073 0.078 18485 5512 1 9 . 1 1 99 99 MET CB C 99 32.550 32.550 32.609 -0.059 18485 5513 1 9 . 1 1 99 99 MET H H 99 7.934 7.934 8.161 -0.227 18485 5514 1 9 . 1 1 100 100 LEU N N 100 118.006 118.006 118.902 -0.896 18485 5515 1 9 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.884 -0.093 18485 5516 1 9 . 1 1 100 100 LEU C C 100 178.592 178.592 178.805 -0.213 18485 5517 1 9 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.026 0.577 18485 5518 1 9 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.387 -0.687 18485 5519 1 9 . 1 1 100 100 LEU H H 100 8.131 8.131 7.571 0.560 18485 5520 1 9 . 1 1 101 101 ARG N N 101 118.551 118.551 118.777 -0.226 18485 5521 1 9 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.963 0.163 18485 5522 1 9 . 1 1 101 101 ARG C C 101 181.117 181.117 178.499 2.618 18485 5523 1 9 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.973 0.304 18485 5524 1 9 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.589 0.203 18485 5525 1 9 . 1 1 101 101 ARG H H 101 8.045 8.045 7.776 0.269 18485 5526 1 9 . 1 1 102 102 ASP N N 102 122.544 122.544 120.536 2.008 18485 5527 1 9 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.498 -0.093 18485 5528 1 9 . 1 1 102 102 ASP C C 102 178.405 178.405 178.344 0.061 18485 5529 1 9 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.743 0.559 18485 5530 1 9 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.956 -0.644 18485 5531 1 9 . 1 1 102 102 ASP H H 102 8.828 8.828 8.168 0.660 18485 5532 1 9 . 1 1 103 103 LYS N N 103 116.177 116.177 117.273 -1.096 18485 5533 1 9 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.363 0.033 18485 5534 1 9 . 1 1 103 103 LYS C C 103 176.282 176.282 177.049 -0.767 18485 5535 1 9 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.402 -0.078 18485 5536 1 9 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.750 -0.035 18485 5537 1 9 . 1 1 103 103 LYS H H 103 7.847 7.847 7.986 -0.139 18485 5538 1 9 . 1 1 104 104 GLY N N 104 108.597 108.597 106.703 1.894 18485 5539 1 9 . 1 1 104 104 GLY C C 104 174.450 174.450 174.879 -0.429 18485 5540 1 9 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.164 1.159 18485 5541 1 9 . 1 1 104 104 GLY H H 104 7.930 7.930 7.527 0.403 18485 5542 1 9 . 1 1 105 105 ILE N N 105 123.232 123.232 120.009 3.223 18485 5543 1 9 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.303 -0.194 18485 5544 1 9 . 1 1 105 105 ILE C C 105 175.374 175.374 176.974 -1.600 18485 5545 1 9 . 1 1 105 105 ILE CA C 105 60.643 60.643 58.768 1.875 18485 5546 1 9 . 1 1 105 105 ILE CB C 105 38.688 38.688 37.836 0.852 18485 5547 1 9 . 1 1 105 105 ILE H H 105 8.323 8.323 8.011 0.312 18485 5548 1 9 . 1 1 106 106 THR N N 106 123.522 123.522 122.072 1.450 18485 5549 1 9 . 1 1 106 106 THR HA H 106 4.155 4.155 4.230 -0.075 18485 5550 1 9 . 1 1 106 106 THR C C 106 173.223 173.223 173.815 -0.592 18485 5551 1 9 . 1 1 106 106 THR CA C 106 63.189 63.189 63.748 -0.559 18485 5552 1 9 . 1 1 106 106 THR CB C 106 69.242 69.242 68.198 1.044 18485 5553 1 9 . 1 1 106 106 THR H H 106 8.521 8.521 8.550 -0.029 18485 5554 1 9 . 1 1 107 107 CYS N N 107 120.688 120.688 123.996 -3.308 18485 5555 1 9 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.402 -0.535 18485 5556 1 9 . 1 1 107 107 CYS C C 107 173.798 173.798 173.650 0.148 18485 5557 1 9 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.224 0.328 18485 5558 1 9 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.145 -0.683 18485 5559 1 9 . 1 1 107 107 CYS H H 107 8.247 8.247 8.172 0.075 18485 5560 1 9 . 1 1 108 108 ARG N N 108 122.349 122.349 121.425 0.924 18485 5561 1 9 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.364 -0.073 18485 5562 1 9 . 1 1 108 108 ARG C C 108 175.547 175.547 176.125 -0.578 18485 5563 1 9 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.239 0.061 18485 5564 1 9 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.915 0.361 18485 5565 1 9 . 1 1 108 108 ARG H H 108 8.512 8.512 8.473 0.039 18485 5566 1 9 . 1 1 109 109 ASP N N 109 121.453 121.453 121.161 0.292 18485 5567 1 9 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.420 0.205 18485 5568 1 9 . 1 1 109 109 ASP C C 109 174.973 174.973 176.122 -1.149 18485 5569 1 9 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.063 -0.824 18485 5570 1 9 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.822 0.134 18485 5571 1 9 . 1 1 109 109 ASP H H 109 8.399 8.399 8.434 -0.035 18485 5572 1 10 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.143 0.269 18485 5573 1 10 . 1 1 2 2 ALA C C 2 177.283 177.283 176.442 0.841 18485 5574 1 10 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.356 -0.072 18485 5575 1 10 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.172 0.331 18485 5576 1 10 . 1 1 3 3 MET N N 3 121.052 121.052 121.576 -0.524 18485 5577 1 10 . 1 1 3 3 MET HA H 3 4.458 4.458 4.512 -0.054 18485 5578 1 10 . 1 1 3 3 MET C C 3 175.185 175.185 176.032 -0.847 18485 5579 1 10 . 1 1 3 3 MET CA C 3 56.001 56.001 55.046 0.955 18485 5580 1 10 . 1 1 3 3 MET CB C 3 34.282 34.282 33.714 0.568 18485 5581 1 10 . 1 1 3 3 MET H H 3 8.313 8.313 8.039 0.274 18485 5582 1 10 . 1 1 4 4 VAL N N 4 116.976 116.976 120.276 -3.300 18485 5583 1 10 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.641 0.001 18485 5584 1 10 . 1 1 4 4 VAL C C 4 176.976 176.976 176.651 0.325 18485 5585 1 10 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.487 0.265 18485 5586 1 10 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.167 0.711 18485 5587 1 10 . 1 1 4 4 VAL H H 4 8.432 8.432 8.697 -0.265 18485 5588 1 10 . 1 1 5 5 LYS N N 5 123.795 123.795 124.192 -0.397 18485 5589 1 10 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.042 -0.456 18485 5590 1 10 . 1 1 5 5 LYS C C 5 178.205 178.205 178.214 -0.009 18485 5591 1 10 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.985 1.077 18485 5592 1 10 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.078 0.145 18485 5593 1 10 . 1 1 5 5 LYS H H 5 8.725 8.725 8.773 -0.048 18485 5594 1 10 . 1 1 6 6 LYS N N 6 117.559 117.559 118.697 -1.138 18485 5595 1 10 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.125 -0.051 18485 5596 1 10 . 1 1 6 6 LYS C C 6 176.976 176.976 178.190 -1.214 18485 5597 1 10 . 1 1 6 6 LYS CA C 6 59.019 59.019 58.502 0.517 18485 5598 1 10 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.483 1.175 18485 5599 1 10 . 1 1 6 6 LYS H H 6 8.395 8.395 8.351 0.044 18485 5600 1 10 . 1 1 7 7 ASP N N 7 116.710 116.710 119.270 -2.560 18485 5601 1 10 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.417 -0.053 18485 5602 1 10 . 1 1 7 7 ASP C C 7 179.180 179.180 178.600 0.580 18485 5603 1 10 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.579 -0.169 18485 5604 1 10 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.447 0.428 18485 5605 1 10 . 1 1 7 7 ASP H H 7 7.415 7.415 8.049 -0.634 18485 5606 1 10 . 1 1 8 8 ILE N N 8 120.990 120.990 120.073 0.917 18485 5607 1 10 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.618 -0.341 18485 5608 1 10 . 1 1 8 8 ILE C C 8 177.537 177.537 177.496 0.041 18485 5609 1 10 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.640 -0.080 18485 5610 1 10 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.337 -0.268 18485 5611 1 10 . 1 1 8 8 ILE H H 8 7.302 7.302 7.255 0.047 18485 5612 1 10 . 1 1 9 9 ASP N N 9 120.214 120.214 120.160 0.054 18485 5613 1 10 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.464 -0.257 18485 5614 1 10 . 1 1 9 9 ASP C C 9 178.564 178.564 178.533 0.031 18485 5615 1 10 . 1 1 9 9 ASP CA C 9 58.008 58.008 56.953 1.055 18485 5616 1 10 . 1 1 9 9 ASP CB C 9 41.882 41.882 40.970 0.912 18485 5617 1 10 . 1 1 9 9 ASP H H 9 7.884 7.884 7.796 0.087 18485 5618 1 10 . 1 1 10 10 ASP N N 10 117.314 117.314 119.430 -2.116 18485 5619 1 10 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.596 -0.272 18485 5620 1 10 . 1 1 10 10 ASP C C 10 179.340 179.340 178.249 1.091 18485 5621 1 10 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.824 0.362 18485 5622 1 10 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.839 -0.926 18485 5623 1 10 . 1 1 10 10 ASP H H 10 8.856 8.856 8.305 0.551 18485 5624 1 10 . 1 1 11 11 THR N N 11 119.032 119.032 118.233 0.799 18485 5625 1 10 . 1 1 11 11 THR HA H 11 4.061 4.061 3.968 0.093 18485 5626 1 10 . 1 1 11 11 THR C C 11 175.574 175.574 176.427 -0.853 18485 5627 1 10 . 1 1 11 11 THR CA C 11 67.210 67.210 67.355 -0.145 18485 5628 1 10 . 1 1 11 11 THR CB C 11 68.319 68.319 68.878 -0.559 18485 5629 1 10 . 1 1 11 11 THR H H 11 7.670 7.670 7.676 -0.006 18485 5630 1 10 . 1 1 12 12 ILE N N 12 122.228 122.228 119.898 2.330 18485 5631 1 10 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.768 -0.129 18485 5632 1 10 . 1 1 12 12 ILE C C 12 177.455 177.455 177.283 0.172 18485 5633 1 10 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.889 0.020 18485 5634 1 10 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.664 -0.086 18485 5635 1 10 . 1 1 12 12 ILE H H 12 8.303 8.303 8.166 0.137 18485 5636 1 10 . 1 1 13 13 LYS N N 13 114.462 114.462 117.218 -2.756 18485 5637 1 10 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.232 -0.098 18485 5638 1 10 . 1 1 13 13 LYS C C 13 177.547 177.547 177.538 0.009 18485 5639 1 10 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.945 0.455 18485 5640 1 10 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.727 0.279 18485 5641 1 10 . 1 1 13 13 LYS H H 13 7.709 7.709 7.605 0.104 18485 5642 1 10 . 1 1 14 14 SER N N 14 112.642 112.642 114.567 -1.925 18485 5643 1 10 . 1 1 14 14 SER HA H 14 4.551 4.551 4.477 0.074 18485 5644 1 10 . 1 1 14 14 SER C C 14 174.532 174.532 174.815 -0.283 18485 5645 1 10 . 1 1 14 14 SER CA C 14 59.744 59.744 59.428 0.316 18485 5646 1 10 . 1 1 14 14 SER CB C 14 65.009 65.009 64.285 0.724 18485 5647 1 10 . 1 1 14 14 SER H H 14 7.749 7.749 7.746 0.003 18485 5648 1 10 . 1 1 15 15 GLU N N 15 121.266 121.266 120.781 0.485 18485 5649 1 10 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.400 0.164 18485 5650 1 10 . 1 1 15 15 GLU C C 15 176.789 176.789 176.299 0.490 18485 5651 1 10 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.627 -1.183 18485 5652 1 10 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.565 -0.239 18485 5653 1 10 . 1 1 15 15 GLU H H 15 8.101 8.101 7.909 0.192 18485 5654 1 10 . 1 1 16 16 ASP N N 16 122.253 122.253 120.847 1.406 18485 5655 1 10 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.738 -0.398 18485 5656 1 10 . 1 1 16 16 ASP C C 16 176.469 176.469 175.296 1.173 18485 5657 1 10 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.286 2.473 18485 5658 1 10 . 1 1 16 16 ASP CB C 16 40.818 40.818 41.985 -1.167 18485 5659 1 10 . 1 1 16 16 ASP H H 16 8.685 8.685 8.989 -0.304 18485 5660 1 10 . 1 1 17 17 VAL N N 17 118.536 118.536 118.176 0.360 18485 5661 1 10 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.939 -0.024 18485 5662 1 10 . 1 1 17 17 VAL C C 17 174.452 174.452 174.244 0.208 18485 5663 1 10 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.527 0.376 18485 5664 1 10 . 1 1 17 17 VAL CB C 17 34.377 34.377 35.746 -1.369 18485 5665 1 10 . 1 1 17 17 VAL H H 17 8.547 8.547 7.632 0.915 18485 5666 1 10 . 1 1 18 18 VAL N N 18 125.917 125.917 127.235 -1.318 18485 5667 1 10 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.296 -0.041 18485 5668 1 10 . 1 1 18 18 VAL C C 18 174.158 174.158 174.566 -0.408 18485 5669 1 10 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.429 -0.327 18485 5670 1 10 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.880 0.175 18485 5671 1 10 . 1 1 18 18 VAL H H 18 8.755 8.755 9.239 -0.484 18485 5672 1 10 . 1 1 19 19 THR N N 19 120.107 120.107 119.708 0.399 18485 5673 1 10 . 1 1 19 19 THR HA H 19 5.795 5.795 5.175 0.620 18485 5674 1 10 . 1 1 19 19 THR C C 19 171.126 171.126 172.760 -1.634 18485 5675 1 10 . 1 1 19 19 THR CA C 19 58.118 58.118 60.120 -2.002 18485 5676 1 10 . 1 1 19 19 THR CB C 19 72.547 72.547 71.626 0.921 18485 5677 1 10 . 1 1 19 19 THR H H 19 8.938 8.938 8.853 0.085 18485 5678 1 10 . 1 1 20 20 PHE N N 20 125.287 125.287 126.382 -1.095 18485 5679 1 10 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.511 -0.007 18485 5680 1 10 . 1 1 20 20 PHE C C 20 175.200 175.200 175.169 0.031 18485 5681 1 10 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.871 -0.373 18485 5682 1 10 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.163 0.497 18485 5683 1 10 . 1 1 20 20 PHE H H 20 8.230 8.230 8.416 -0.186 18485 5684 1 10 . 1 1 21 21 ILE N N 21 114.660 114.660 118.285 -3.625 18485 5685 1 10 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.866 -0.054 18485 5686 1 10 . 1 1 21 21 ILE C C 21 173.918 173.918 174.746 -0.828 18485 5687 1 10 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.080 0.283 18485 5688 1 10 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.413 1.407 18485 5689 1 10 . 1 1 21 21 ILE H H 21 9.042 9.042 9.292 -0.250 18485 5690 1 10 . 1 1 22 22 LYS N N 22 117.197 117.197 124.556 -7.359 18485 5691 1 10 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.406 0.197 18485 5692 1 10 . 1 1 22 22 LYS C C 22 175.935 175.935 176.636 -0.701 18485 5693 1 10 . 1 1 22 22 LYS CA C 22 56.698 56.698 56.765 -0.067 18485 5694 1 10 . 1 1 22 22 LYS CB C 22 33.193 33.193 30.941 2.252 18485 5695 1 10 . 1 1 22 22 LYS H H 22 8.581 8.581 8.845 -0.264 18485 5696 1 10 . 1 1 23 23 GLY N N 23 117.108 117.108 108.326 8.782 18485 5697 1 10 . 1 1 23 23 GLY C C 23 170.793 170.793 172.608 -1.815 18485 5698 1 10 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.656 -0.019 18485 5699 1 10 . 1 1 23 23 GLY H H 23 9.178 9.178 8.091 1.087 18485 5700 1 10 . 1 1 24 24 LEU N N 24 117.859 117.859 120.703 -2.844 18485 5701 1 10 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.651 0.209 18485 5702 1 10 . 1 1 24 24 LEU C C 24 176.709 176.709 175.979 0.730 18485 5703 1 10 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.204 -1.254 18485 5704 1 10 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.305 1.703 18485 5705 1 10 . 1 1 24 24 LEU H H 24 7.162 7.162 7.987 -0.825 18485 5706 1 10 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.518 -0.565 18485 5707 1 10 . 1 1 25 25 PRO C C 25 177.190 177.190 177.556 -0.366 18485 5708 1 10 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.942 1.380 18485 5709 1 10 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.288 -0.565 18485 5710 1 10 . 1 1 26 26 GLU N N 26 111.260 111.260 117.501 -6.241 18485 5711 1 10 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.220 -0.015 18485 5712 1 10 . 1 1 26 26 GLU C C 26 176.429 176.429 176.676 -0.247 18485 5713 1 10 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.528 -0.785 18485 5714 1 10 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.268 -0.570 18485 5715 1 10 . 1 1 26 26 GLU H H 26 8.807 8.807 8.298 0.509 18485 5716 1 10 . 1 1 27 27 ALA N N 27 122.547 122.547 123.334 -0.787 18485 5717 1 10 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.643 -0.056 18485 5718 1 10 . 1 1 27 27 ALA C C 27 172.342 172.342 174.977 -2.635 18485 5719 1 10 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.954 0.930 18485 5720 1 10 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.743 -0.048 18485 5721 1 10 . 1 1 27 27 ALA H H 27 7.856 7.856 7.800 0.056 18485 5722 1 10 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.607 0.035 18485 5723 1 10 . 1 1 28 28 PRO C C 28 178.512 178.512 176.305 2.207 18485 5724 1 10 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.618 0.487 18485 5725 1 10 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.894 -0.829 18485 5726 1 10 . 1 1 29 29 MET N N 29 119.426 119.426 118.715 0.711 18485 5727 1 10 . 1 1 29 29 MET HA H 29 4.758 4.758 4.564 0.194 18485 5728 1 10 . 1 1 29 29 MET C C 29 175.374 175.374 176.537 -1.163 18485 5729 1 10 . 1 1 29 29 MET CA C 29 54.594 54.594 56.261 -1.667 18485 5730 1 10 . 1 1 29 29 MET CB C 29 33.036 33.036 33.005 0.031 18485 5731 1 10 . 1 1 29 29 MET H H 29 8.828 8.828 8.639 0.189 18485 5732 1 10 . 1 1 30 30 CYS N N 30 116.089 116.089 118.975 -2.886 18485 5733 1 10 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.666 0.186 18485 5734 1 10 . 1 1 30 30 CYS C C 30 176.028 176.028 174.567 1.461 18485 5735 1 10 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.629 1.096 18485 5736 1 10 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.402 1.857 18485 5737 1 10 . 1 1 30 30 CYS H H 30 7.455 7.455 7.641 -0.186 18485 5738 1 10 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.988 0.092 18485 5739 1 10 . 1 1 31 31 ALA C C 31 180.222 180.222 178.729 1.493 18485 5740 1 10 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.673 0.021 18485 5741 1 10 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.206 0.475 18485 5742 1 10 . 1 1 32 32 TYR N N 32 121.972 121.972 116.740 5.232 18485 5743 1 10 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.285 0.048 18485 5744 1 10 . 1 1 32 32 TYR C C 32 178.673 178.673 178.175 0.498 18485 5745 1 10 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.660 -0.731 18485 5746 1 10 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.716 -0.679 18485 5747 1 10 . 1 1 32 32 TYR H H 32 8.846 8.846 7.859 0.987 18485 5748 1 10 . 1 1 33 33 SER N N 33 125.375 125.375 115.632 9.743 18485 5749 1 10 . 1 1 33 33 SER HA H 33 4.013 4.013 4.099 -0.086 18485 5750 1 10 . 1 1 33 33 SER C C 33 174.906 174.906 176.371 -1.465 18485 5751 1 10 . 1 1 33 33 SER CA C 33 64.417 64.417 61.475 2.942 18485 5752 1 10 . 1 1 33 33 SER CB C 33 62.687 62.687 62.663 0.024 18485 5753 1 10 . 1 1 33 33 SER H H 33 10.272 10.272 7.766 2.506 18485 5754 1 10 . 1 1 34 34 LYS N N 34 121.216 121.216 122.401 -1.185 18485 5755 1 10 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.977 -0.124 18485 5756 1 10 . 1 1 34 34 LYS C C 34 177.083 177.083 178.929 -1.846 18485 5757 1 10 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.236 0.427 18485 5758 1 10 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.106 0.044 18485 5759 1 10 . 1 1 34 34 LYS H H 34 8.024 8.024 7.663 0.361 18485 5760 1 10 . 1 1 35 35 ARG N N 35 117.269 117.269 118.935 -1.666 18485 5761 1 10 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.095 0.054 18485 5762 1 10 . 1 1 35 35 ARG C C 35 178.058 178.058 178.830 -0.772 18485 5763 1 10 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.239 0.737 18485 5764 1 10 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.573 0.140 18485 5765 1 10 . 1 1 35 35 ARG H H 35 7.559 7.559 7.645 -0.086 18485 5766 1 10 . 1 1 36 36 MET N N 36 117.954 117.954 119.940 -1.986 18485 5767 1 10 . 1 1 36 36 MET HA H 36 4.068 4.068 4.132 -0.064 18485 5768 1 10 . 1 1 36 36 MET C C 36 176.963 176.963 177.996 -1.033 18485 5769 1 10 . 1 1 36 36 MET CA C 36 58.195 58.195 58.252 -0.057 18485 5770 1 10 . 1 1 36 36 MET CB C 36 31.742 31.742 32.314 -0.572 18485 5771 1 10 . 1 1 36 36 MET H H 36 8.027 8.027 7.993 0.034 18485 5772 1 10 . 1 1 37 37 ILE N N 37 118.650 118.650 118.882 -0.232 18485 5773 1 10 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.549 -0.029 18485 5774 1 10 . 1 1 37 37 ILE C C 37 177.631 177.631 178.138 -0.507 18485 5775 1 10 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.749 -1.876 18485 5776 1 10 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.439 -1.267 18485 5777 1 10 . 1 1 37 37 ILE H H 37 7.825 7.825 8.147 -0.322 18485 5778 1 10 . 1 1 38 38 ASP N N 38 119.229 119.229 120.563 -1.334 18485 5779 1 10 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.402 -0.072 18485 5780 1 10 . 1 1 38 38 ASP C C 38 180.208 180.208 178.802 1.406 18485 5781 1 10 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.348 0.182 18485 5782 1 10 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.757 -0.787 18485 5783 1 10 . 1 1 38 38 ASP H H 38 8.629 8.629 8.477 0.152 18485 5784 1 10 . 1 1 39 39 VAL N N 39 121.475 121.475 120.427 1.048 18485 5785 1 10 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.695 -0.120 18485 5786 1 10 . 1 1 39 39 VAL C C 39 177.056 177.056 177.838 -0.782 18485 5787 1 10 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.344 0.466 18485 5788 1 10 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.753 -0.258 18485 5789 1 10 . 1 1 39 39 VAL H H 39 7.879 7.879 7.419 0.460 18485 5790 1 10 . 1 1 40 40 LEU N N 40 118.145 118.145 118.996 -0.851 18485 5791 1 10 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.932 -0.158 18485 5792 1 10 . 1 1 40 40 LEU C C 40 179.794 179.794 178.888 0.906 18485 5793 1 10 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.907 0.257 18485 5794 1 10 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.088 -0.491 18485 5795 1 10 . 1 1 40 40 LEU H H 40 7.574 7.574 7.300 0.274 18485 5796 1 10 . 1 1 41 41 GLU N N 41 116.305 116.305 119.370 -3.065 18485 5797 1 10 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.144 0.153 18485 5798 1 10 . 1 1 41 41 GLU C C 41 181.117 181.117 178.970 2.147 18485 5799 1 10 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.457 -0.905 18485 5800 1 10 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.676 -0.555 18485 5801 1 10 . 1 1 41 41 GLU H H 41 8.871 8.871 8.786 0.085 18485 5802 1 10 . 1 1 42 42 ALA N N 42 124.797 124.797 121.910 2.887 18485 5803 1 10 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.141 0.024 18485 5804 1 10 . 1 1 42 42 ALA C C 42 180.275 180.275 179.513 0.762 18485 5805 1 10 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.849 0.131 18485 5806 1 10 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.611 -0.952 18485 5807 1 10 . 1 1 42 42 ALA H H 42 8.285 8.285 8.176 0.109 18485 5808 1 10 . 1 1 43 43 LEU N N 43 115.767 115.767 115.308 0.459 18485 5809 1 10 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.379 -0.130 18485 5810 1 10 . 1 1 43 43 LEU C C 43 177.177 177.177 176.735 0.442 18485 5811 1 10 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.051 1.355 18485 5812 1 10 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.141 1.342 18485 5813 1 10 . 1 1 43 43 LEU H H 43 7.528 7.528 7.534 -0.006 18485 5814 1 10 . 1 1 44 44 GLY N N 44 108.593 108.593 107.544 1.049 18485 5815 1 10 . 1 1 44 44 GLY C C 44 175.011 175.011 174.680 0.331 18485 5816 1 10 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.429 0.912 18485 5817 1 10 . 1 1 44 44 GLY H H 44 7.927 7.927 7.611 0.316 18485 5818 1 10 . 1 1 45 45 LEU N N 45 117.269 117.269 117.904 -0.635 18485 5819 1 10 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.849 -0.397 18485 5820 1 10 . 1 1 45 45 LEU C C 45 176.976 176.976 176.780 0.196 18485 5821 1 10 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.638 0.762 18485 5822 1 10 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.935 -0.220 18485 5823 1 10 . 1 1 45 45 LEU H H 45 7.482 7.482 7.949 -0.467 18485 5824 1 10 . 1 1 46 46 GLU N N 46 121.177 121.177 123.382 -2.205 18485 5825 1 10 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.266 0.197 18485 5826 1 10 . 1 1 46 46 GLU C C 46 176.135 176.135 175.222 0.913 18485 5827 1 10 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.834 -0.310 18485 5828 1 10 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.480 -0.247 18485 5829 1 10 . 1 1 46 46 GLU H H 46 8.250 8.250 8.757 -0.507 18485 5830 1 10 . 1 1 47 47 TYR N N 47 119.617 119.617 120.123 -0.506 18485 5831 1 10 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.031 0.267 18485 5832 1 10 . 1 1 47 47 TYR C C 47 173.798 173.798 174.331 -0.533 18485 5833 1 10 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.686 0.138 18485 5834 1 10 . 1 1 47 47 TYR CB C 47 41.071 41.071 39.661 1.410 18485 5835 1 10 . 1 1 47 47 TYR H H 47 7.874 7.874 7.766 0.108 18485 5836 1 10 . 1 1 48 48 THR N N 48 117.577 117.577 118.122 -0.545 18485 5837 1 10 . 1 1 48 48 THR HA H 48 4.266 4.266 4.502 -0.236 18485 5838 1 10 . 1 1 48 48 THR C C 48 171.941 171.941 173.294 -1.353 18485 5839 1 10 . 1 1 48 48 THR CA C 48 62.299 62.299 61.935 0.364 18485 5840 1 10 . 1 1 48 48 THR CB C 48 70.899 70.899 70.608 0.291 18485 5841 1 10 . 1 1 48 48 THR H H 48 8.549 8.549 8.634 -0.085 18485 5842 1 10 . 1 1 49 49 SER N N 49 121.488 121.488 120.708 0.780 18485 5843 1 10 . 1 1 49 49 SER HA H 49 5.516 5.516 5.112 0.404 18485 5844 1 10 . 1 1 49 49 SER C C 49 173.691 173.691 173.289 0.402 18485 5845 1 10 . 1 1 49 49 SER CA C 49 55.758 55.758 56.976 -1.218 18485 5846 1 10 . 1 1 49 49 SER CB C 49 66.386 66.386 64.568 1.818 18485 5847 1 10 . 1 1 49 49 SER H H 49 8.536 8.536 8.436 0.100 18485 5848 1 10 . 1 1 50 50 PHE N N 50 124.791 124.791 125.686 -0.895 18485 5849 1 10 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.616 0.099 18485 5850 1 10 . 1 1 50 50 PHE C C 50 173.608 173.608 174.329 -0.721 18485 5851 1 10 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.210 0.129 18485 5852 1 10 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.386 2.143 18485 5853 1 10 . 1 1 50 50 PHE H H 50 8.627 8.627 9.140 -0.513 18485 5854 1 10 . 1 1 51 51 ASP N N 51 120.606 120.606 124.457 -3.851 18485 5855 1 10 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.322 0.048 18485 5856 1 10 . 1 1 51 51 ASP C C 51 178.779 178.779 178.255 0.524 18485 5857 1 10 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.543 -0.309 18485 5858 1 10 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.560 0.615 18485 5859 1 10 . 1 1 51 51 ASP H H 51 8.415 8.415 8.926 -0.511 18485 5860 1 10 . 1 1 52 52 VAL N N 52 119.623 119.623 122.011 -2.388 18485 5861 1 10 . 1 1 52 52 VAL HA H 52 4.106 4.106 3.999 0.107 18485 5862 1 10 . 1 1 52 52 VAL C C 52 176.682 176.682 176.145 0.537 18485 5863 1 10 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.570 -1.243 18485 5864 1 10 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.921 -0.147 18485 5865 1 10 . 1 1 52 52 VAL H H 52 9.307 9.307 8.628 0.679 18485 5866 1 10 . 1 1 53 53 LEU N N 53 118.392 118.392 118.985 -0.593 18485 5867 1 10 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.391 -0.133 18485 5868 1 10 . 1 1 53 53 LEU C C 53 179.153 179.153 177.763 1.390 18485 5869 1 10 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.598 0.165 18485 5870 1 10 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.761 -0.726 18485 5871 1 10 . 1 1 53 53 LEU H H 53 9.008 9.008 8.569 0.439 18485 5872 1 10 . 1 1 54 54 ALA N N 54 119.577 119.577 121.363 -1.786 18485 5873 1 10 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.329 -0.089 18485 5874 1 10 . 1 1 54 54 ALA C C 54 177.657 177.657 176.878 0.779 18485 5875 1 10 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.207 0.181 18485 5876 1 10 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.072 0.047 18485 5877 1 10 . 1 1 54 54 ALA H H 54 7.304 7.304 7.558 -0.254 18485 5878 1 10 . 1 1 55 55 HIS N N 55 114.383 114.383 116.027 -1.644 18485 5879 1 10 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.809 0.315 18485 5880 1 10 . 1 1 55 55 HIS C C 55 174.238 174.238 173.163 1.075 18485 5881 1 10 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.819 -0.725 18485 5882 1 10 . 1 1 55 55 HIS CB C 55 33.789 33.789 31.768 2.021 18485 5883 1 10 . 1 1 55 55 HIS H H 55 6.894 6.894 7.731 -0.837 18485 5884 1 10 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.233 0.093 18485 5885 1 10 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.356 -0.094 18485 5886 1 10 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.339 -0.298 18485 5887 1 10 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.761 0.226 18485 5888 1 10 . 1 1 57 57 VAL C C 57 177.804 177.804 178.209 -0.405 18485 5889 1 10 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.249 -0.921 18485 5890 1 10 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.212 0.009 18485 5891 1 10 . 1 1 57 57 VAL H H 57 9.778 9.778 7.893 1.885 18485 5892 1 10 . 1 1 58 58 VAL N N 58 120.641 120.641 118.730 1.911 18485 5893 1 10 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.696 -0.164 18485 5894 1 10 . 1 1 58 58 VAL C C 58 177.270 177.270 177.749 -0.479 18485 5895 1 10 . 1 1 58 58 VAL CA C 58 65.910 65.910 67.074 -1.164 18485 5896 1 10 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.102 0.320 18485 5897 1 10 . 1 1 58 58 VAL H H 58 7.540 7.540 8.214 -0.674 18485 5898 1 10 . 1 1 59 59 ARG N N 59 118.263 118.263 119.038 -0.775 18485 5899 1 10 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.161 -0.247 18485 5900 1 10 . 1 1 59 59 ARG C C 59 178.579 178.579 178.469 0.110 18485 5901 1 10 . 1 1 59 59 ARG CA C 59 59.979 59.979 58.950 1.028 18485 5902 1 10 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.351 0.601 18485 5903 1 10 . 1 1 59 59 ARG H H 59 7.536 7.536 7.753 -0.217 18485 5904 1 10 . 1 1 60 60 SER N N 60 113.091 113.091 117.184 -4.093 18485 5905 1 10 . 1 1 60 60 SER HA H 60 4.161 4.161 4.180 -0.019 18485 5906 1 10 . 1 1 60 60 SER C C 60 175.761 175.761 175.966 -0.205 18485 5907 1 10 . 1 1 60 60 SER CA C 60 61.435 61.435 61.834 -0.398 18485 5908 1 10 . 1 1 60 60 SER CB C 60 62.721 62.721 63.040 -0.319 18485 5909 1 10 . 1 1 60 60 SER H H 60 8.204 8.204 8.537 -0.333 18485 5910 1 10 . 1 1 61 61 TYR N N 61 123.436 123.436 122.504 0.932 18485 5911 1 10 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.094 -0.212 18485 5912 1 10 . 1 1 61 61 TYR C C 61 177.731 177.731 177.509 0.222 18485 5913 1 10 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.757 0.271 18485 5914 1 10 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.447 0.708 18485 5915 1 10 . 1 1 61 61 TYR H H 61 8.024 8.024 8.293 -0.269 18485 5916 1 10 . 1 1 62 62 VAL N N 62 115.253 115.253 118.438 -3.185 18485 5917 1 10 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.310 0.219 18485 5918 1 10 . 1 1 62 62 VAL C C 62 176.990 176.990 177.692 -0.702 18485 5919 1 10 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.304 -1.080 18485 5920 1 10 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.007 0.429 18485 5921 1 10 . 1 1 62 62 VAL H H 62 7.754 7.754 7.860 -0.106 18485 5922 1 10 . 1 1 63 63 LYS N N 63 117.543 117.543 118.832 -1.289 18485 5923 1 10 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.948 0.081 18485 5924 1 10 . 1 1 63 63 LYS C C 63 177.549 177.549 179.151 -1.602 18485 5925 1 10 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.802 -0.475 18485 5926 1 10 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.368 0.393 18485 5927 1 10 . 1 1 63 63 LYS H H 63 7.367 7.367 7.905 -0.538 18485 5928 1 10 . 1 1 64 64 GLU N N 64 116.093 116.093 115.692 0.401 18485 5929 1 10 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.293 -0.179 18485 5930 1 10 . 1 1 64 64 GLU C C 64 177.547 177.547 177.616 -0.069 18485 5931 1 10 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.987 -0.482 18485 5932 1 10 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.064 -0.687 18485 5933 1 10 . 1 1 64 64 GLU H H 64 7.701 7.701 7.998 -0.297 18485 5934 1 10 . 1 1 65 65 VAL N N 65 116.739 116.739 117.686 -0.947 18485 5935 1 10 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.021 -0.186 18485 5936 1 10 . 1 1 65 65 VAL C C 65 176.335 176.335 176.596 -0.261 18485 5937 1 10 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.030 0.466 18485 5938 1 10 . 1 1 65 65 VAL CB C 65 32.243 32.243 33.014 -0.771 18485 5939 1 10 . 1 1 65 65 VAL H H 65 7.608 7.608 7.872 -0.264 18485 5940 1 10 . 1 1 66 66 SER N N 66 114.353 114.353 116.517 -2.164 18485 5941 1 10 . 1 1 66 66 SER HA H 66 4.230 4.230 4.587 -0.357 18485 5942 1 10 . 1 1 66 66 SER C C 66 174.345 174.345 174.106 0.239 18485 5943 1 10 . 1 1 66 66 SER CA C 66 58.038 58.038 58.390 -0.352 18485 5944 1 10 . 1 1 66 66 SER CB C 66 63.898 63.898 61.321 2.577 18485 5945 1 10 . 1 1 66 66 SER H H 66 7.526 7.526 7.760 -0.234 18485 5946 1 10 . 1 1 67 67 GLU N N 67 121.681 121.681 120.161 1.520 18485 5947 1 10 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.062 -0.197 18485 5948 1 10 . 1 1 67 67 GLU C C 67 175.748 175.748 176.404 -0.656 18485 5949 1 10 . 1 1 67 67 GLU CA C 67 57.845 57.845 56.986 0.859 18485 5950 1 10 . 1 1 67 67 GLU CB C 67 29.380 29.380 29.641 -0.261 18485 5951 1 10 . 1 1 67 67 GLU H H 67 7.966 7.966 7.618 0.348 18485 5952 1 10 . 1 1 68 68 TRP N N 68 119.264 119.264 121.252 -1.988 18485 5953 1 10 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.405 0.530 18485 5954 1 10 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.117 -1.261 18485 5955 1 10 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.341 1.376 18485 5956 1 10 . 1 1 68 68 TRP H H 68 7.633 7.633 7.586 0.047 18485 5957 1 10 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.211 0.231 18485 5958 1 10 . 1 1 69 69 PRO C C 69 176.375 176.375 175.972 0.403 18485 5959 1 10 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.947 -0.380 18485 5960 1 10 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.621 -0.108 18485 5961 1 10 . 1 1 70 70 THR N N 70 114.312 114.312 115.295 -0.983 18485 5962 1 10 . 1 1 70 70 THR HA H 70 4.344 4.344 4.281 0.063 18485 5963 1 10 . 1 1 70 70 THR C C 70 172.275 172.275 174.057 -1.782 18485 5964 1 10 . 1 1 70 70 THR CA C 70 61.465 61.465 62.968 -1.503 18485 5965 1 10 . 1 1 70 70 THR CB C 70 70.433 70.433 69.641 0.792 18485 5966 1 10 . 1 1 70 70 THR H H 70 7.162 7.162 7.381 -0.219 18485 5967 1 10 . 1 1 71 71 ILE N N 71 123.770 123.770 123.350 0.420 18485 5968 1 10 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.565 -0.063 18485 5969 1 10 . 1 1 71 71 ILE C C 71 175.106 175.106 174.796 0.310 18485 5970 1 10 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.431 -1.676 18485 5971 1 10 . 1 1 71 71 ILE CB C 71 40.077 40.077 40.279 -0.202 18485 5972 1 10 . 1 1 71 71 ILE H H 71 8.398 8.398 8.328 0.070 18485 5973 1 10 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.910 0.647 18485 5974 1 10 . 1 1 72 72 PRO C C 72 175.507 175.507 175.778 -0.271 18485 5975 1 10 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.505 -0.067 18485 5976 1 10 . 1 1 72 72 PRO CB C 72 37.656 37.656 32.959 4.697 18485 5977 1 10 . 1 1 73 73 GLN N N 73 112.013 112.013 116.583 -4.570 18485 5978 1 10 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.373 -0.281 18485 5979 1 10 . 1 1 73 73 GLN C C 73 174.559 174.559 174.757 -0.198 18485 5980 1 10 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.880 0.649 18485 5981 1 10 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.824 0.616 18485 5982 1 10 . 1 1 73 73 GLN H H 73 8.521 8.521 8.417 0.104 18485 5983 1 10 . 1 1 74 74 LEU N N 74 124.684 124.684 121.707 2.977 18485 5984 1 10 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.321 0.011 18485 5985 1 10 . 1 1 74 74 LEU C C 74 172.761 172.761 174.500 -1.739 18485 5986 1 10 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.822 0.733 18485 5987 1 10 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.270 0.773 18485 5988 1 10 . 1 1 74 74 LEU H H 74 8.266 8.266 8.641 -0.375 18485 5989 1 10 . 1 1 75 75 PHE N N 75 126.827 126.827 123.596 3.231 18485 5990 1 10 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.548 -0.305 18485 5991 1 10 . 1 1 75 75 PHE C C 75 174.813 174.813 174.928 -0.115 18485 5992 1 10 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.545 0.523 18485 5993 1 10 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.549 -0.900 18485 5994 1 10 . 1 1 75 75 PHE H H 75 9.692 9.692 9.387 0.305 18485 5995 1 10 . 1 1 76 76 ILE N N 76 118.421 118.421 121.665 -3.244 18485 5996 1 10 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.991 0.112 18485 5997 1 10 . 1 1 76 76 ILE C C 76 176.242 176.242 176.034 0.208 18485 5998 1 10 . 1 1 76 76 ILE CA C 76 59.193 59.193 60.470 -1.277 18485 5999 1 10 . 1 1 76 76 ILE CB C 76 40.525 40.525 41.756 -1.231 18485 6000 1 10 . 1 1 76 76 ILE H H 76 8.612 8.612 9.074 -0.462 18485 6001 1 10 . 1 1 77 77 LYS N N 77 129.856 129.856 125.933 3.923 18485 6002 1 10 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.976 0.216 18485 6003 1 10 . 1 1 77 77 LYS C C 77 175.887 175.887 176.191 -0.304 18485 6004 1 10 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.160 -0.559 18485 6005 1 10 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.531 1.068 18485 6006 1 10 . 1 1 77 77 LYS H H 77 10.357 10.357 9.248 1.109 18485 6007 1 10 . 1 1 78 78 ALA N N 78 114.323 114.323 116.094 -1.771 18485 6008 1 10 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.162 -0.324 18485 6009 1 10 . 1 1 78 78 ALA C C 78 175.949 175.949 176.764 -0.815 18485 6010 1 10 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.592 -0.074 18485 6011 1 10 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.150 0.085 18485 6012 1 10 . 1 1 78 78 ALA H H 78 9.554 9.554 8.699 0.855 18485 6013 1 10 . 1 1 79 79 GLU N N 79 120.498 120.498 118.661 1.837 18485 6014 1 10 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.764 0.000 18485 6015 1 10 . 1 1 79 79 GLU C C 79 175.200 175.200 175.321 -0.121 18485 6016 1 10 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.405 0.366 18485 6017 1 10 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.204 -0.202 18485 6018 1 10 . 1 1 79 79 GLU H H 79 8.219 8.219 7.763 0.456 18485 6019 1 10 . 1 1 80 80 PHE N N 80 125.962 125.962 125.099 0.863 18485 6020 1 10 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.255 0.137 18485 6021 1 10 . 1 1 80 80 PHE C C 80 175.280 175.280 174.750 0.530 18485 6022 1 10 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.504 -0.245 18485 6023 1 10 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.042 -0.494 18485 6024 1 10 . 1 1 80 80 PHE H H 80 8.935 8.935 8.820 0.115 18485 6025 1 10 . 1 1 81 81 VAL N N 81 128.637 128.637 126.803 1.834 18485 6026 1 10 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.695 0.074 18485 6027 1 10 . 1 1 81 81 VAL C C 81 174.733 174.733 175.086 -0.353 18485 6028 1 10 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.425 0.614 18485 6029 1 10 . 1 1 81 81 VAL CB C 81 32.638 32.638 32.932 -0.294 18485 6030 1 10 . 1 1 81 81 VAL H H 81 8.288 8.288 8.118 0.170 18485 6031 1 10 . 1 1 82 82 GLY N N 82 100.310 100.310 103.823 -3.513 18485 6032 1 10 . 1 1 82 82 GLY C C 82 172.515 172.515 172.106 0.409 18485 6033 1 10 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.180 1.040 18485 6034 1 10 . 1 1 82 82 GLY H H 82 5.816 5.816 6.492 -0.676 18485 6035 1 10 . 1 1 83 83 GLY N N 83 104.342 104.342 105.701 -1.359 18485 6036 1 10 . 1 1 83 83 GLY C C 83 173.758 173.758 174.767 -1.009 18485 6037 1 10 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.424 0.399 18485 6038 1 10 . 1 1 83 83 GLY H H 83 7.401 7.401 8.066 -0.665 18485 6039 1 10 . 1 1 84 84 LEU N N 84 118.350 118.350 121.466 -3.116 18485 6040 1 10 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.136 -0.355 18485 6041 1 10 . 1 1 84 84 LEU C C 84 178.245 178.245 178.645 -0.400 18485 6042 1 10 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.904 0.350 18485 6043 1 10 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.656 0.946 18485 6044 1 10 . 1 1 84 84 LEU H H 84 8.807 8.807 8.414 0.393 18485 6045 1 10 . 1 1 85 85 ASP N N 85 118.373 118.373 118.185 0.188 18485 6046 1 10 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.394 -0.128 18485 6047 1 10 . 1 1 85 85 ASP C C 85 178.296 178.296 178.464 -0.168 18485 6048 1 10 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.385 0.227 18485 6049 1 10 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.760 -1.261 18485 6050 1 10 . 1 1 85 85 ASP H H 85 8.697 8.697 8.505 0.192 18485 6051 1 10 . 1 1 86 86 ILE N N 86 120.495 120.495 119.462 1.033 18485 6052 1 10 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.856 -0.010 18485 6053 1 10 . 1 1 86 86 ILE C C 86 177.657 177.657 177.987 -0.330 18485 6054 1 10 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.481 -0.623 18485 6055 1 10 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.362 0.151 18485 6056 1 10 . 1 1 86 86 ILE H H 86 7.605 7.605 7.352 0.253 18485 6057 1 10 . 1 1 87 87 VAL N N 87 120.596 120.596 116.490 4.106 18485 6058 1 10 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.616 -0.309 18485 6059 1 10 . 1 1 87 87 VAL C C 87 177.629 177.629 177.687 -0.058 18485 6060 1 10 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.506 1.205 18485 6061 1 10 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.170 0.495 18485 6062 1 10 . 1 1 87 87 VAL H H 87 7.934 7.934 8.026 -0.092 18485 6063 1 10 . 1 1 88 88 THR N N 88 112.971 112.971 112.619 0.352 18485 6064 1 10 . 1 1 88 88 THR HA H 88 3.822 3.822 4.031 -0.209 18485 6065 1 10 . 1 1 88 88 THR C C 88 176.896 176.896 176.607 0.289 18485 6066 1 10 . 1 1 88 88 THR CA C 88 66.898 66.898 65.964 0.934 18485 6067 1 10 . 1 1 88 88 THR CB C 88 68.370 68.370 68.786 -0.416 18485 6068 1 10 . 1 1 88 88 THR H H 88 8.719 8.719 7.743 0.976 18485 6069 1 10 . 1 1 89 89 LYS N N 89 123.633 123.633 122.834 0.799 18485 6070 1 10 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.045 0.104 18485 6071 1 10 . 1 1 89 89 LYS C C 89 179.648 179.648 178.991 0.657 18485 6072 1 10 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.637 -0.011 18485 6073 1 10 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.102 -0.014 18485 6074 1 10 . 1 1 89 89 LYS H H 89 7.568 7.568 7.897 -0.329 18485 6075 1 10 . 1 1 90 90 MET N N 90 118.147 118.147 118.994 -0.847 18485 6076 1 10 . 1 1 90 90 MET HA H 90 4.333 4.333 4.139 0.194 18485 6077 1 10 . 1 1 90 90 MET C C 90 179.634 179.634 178.718 0.916 18485 6078 1 10 . 1 1 90 90 MET CA C 90 58.590 58.590 59.115 -0.525 18485 6079 1 10 . 1 1 90 90 MET CB C 90 34.033 34.033 32.574 1.459 18485 6080 1 10 . 1 1 90 90 MET H H 90 8.520 8.520 8.502 0.018 18485 6081 1 10 . 1 1 91 91 LEU N N 91 124.789 124.789 121.903 2.886 18485 6082 1 10 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.955 0.245 18485 6083 1 10 . 1 1 91 91 LEU C C 91 179.696 179.696 178.998 0.698 18485 6084 1 10 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.994 0.087 18485 6085 1 10 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.715 0.146 18485 6086 1 10 . 1 1 91 91 LEU H H 91 8.792 8.792 8.081 0.711 18485 6087 1 10 . 1 1 92 92 GLU N N 92 118.965 118.965 120.205 -1.240 18485 6088 1 10 . 1 1 92 92 GLU HA H 92 4.017 4.017 3.981 0.036 18485 6089 1 10 . 1 1 92 92 GLU C C 92 178.352 178.352 178.255 0.097 18485 6090 1 10 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.305 -0.227 18485 6091 1 10 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.792 -0.101 18485 6092 1 10 . 1 1 92 92 GLU H H 92 7.999 7.999 8.655 -0.656 18485 6093 1 10 . 1 1 93 93 SER N N 93 111.381 111.381 112.232 -0.851 18485 6094 1 10 . 1 1 93 93 SER HA H 93 4.406 4.406 4.581 -0.175 18485 6095 1 10 . 1 1 93 93 SER C C 93 175.948 175.948 174.865 1.083 18485 6096 1 10 . 1 1 93 93 SER CA C 93 59.192 59.192 58.206 0.986 18485 6097 1 10 . 1 1 93 93 SER CB C 93 64.227 64.227 63.449 0.778 18485 6098 1 10 . 1 1 93 93 SER H H 93 8.270 8.270 7.902 0.368 18485 6099 1 10 . 1 1 94 94 GLY N N 94 109.172 109.172 110.387 -1.215 18485 6100 1 10 . 1 1 94 94 GLY C C 94 174.906 174.906 175.112 -0.206 18485 6101 1 10 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.815 -1.431 18485 6102 1 10 . 1 1 94 94 GLY H H 94 7.406 7.406 8.385 -0.979 18485 6103 1 10 . 1 1 95 95 ASP N N 95 122.640 122.640 122.106 0.534 18485 6104 1 10 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.439 0.040 18485 6105 1 10 . 1 1 95 95 ASP C C 95 178.486 178.486 177.451 1.035 18485 6106 1 10 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.578 0.673 18485 6107 1 10 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.831 0.539 18485 6108 1 10 . 1 1 95 95 ASP H H 95 8.337 8.337 7.752 0.585 18485 6109 1 10 . 1 1 96 96 LEU N N 96 122.329 122.329 120.268 2.061 18485 6110 1 10 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.080 0.001 18485 6111 1 10 . 1 1 96 96 LEU C C 96 177.070 177.070 178.198 -1.128 18485 6112 1 10 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.373 -0.413 18485 6113 1 10 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.526 -0.624 18485 6114 1 10 . 1 1 96 96 LEU H H 96 7.992 7.992 7.932 0.060 18485 6115 1 10 . 1 1 97 97 LYS N N 97 118.159 118.159 118.127 0.032 18485 6116 1 10 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.908 0.013 18485 6117 1 10 . 1 1 97 97 LYS C C 97 178.245 178.245 178.998 -0.753 18485 6118 1 10 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.746 0.354 18485 6119 1 10 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.984 -0.056 18485 6120 1 10 . 1 1 97 97 LYS H H 97 8.254 8.254 7.630 0.624 18485 6121 1 10 . 1 1 98 98 LYS N N 98 117.677 117.677 119.654 -1.977 18485 6122 1 10 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.994 -0.057 18485 6123 1 10 . 1 1 98 98 LYS C C 98 177.471 177.471 178.465 -0.994 18485 6124 1 10 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.363 0.567 18485 6125 1 10 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.395 0.346 18485 6126 1 10 . 1 1 98 98 LYS H H 98 7.388 7.388 8.028 -0.640 18485 6127 1 10 . 1 1 99 99 MET N N 99 119.426 119.426 119.703 -0.277 18485 6128 1 10 . 1 1 99 99 MET HA H 99 4.138 4.138 4.087 0.051 18485 6129 1 10 . 1 1 99 99 MET C C 99 178.018 178.018 178.365 -0.347 18485 6130 1 10 . 1 1 99 99 MET CA C 99 59.151 59.151 58.981 0.170 18485 6131 1 10 . 1 1 99 99 MET CB C 99 32.550 32.550 32.448 0.102 18485 6132 1 10 . 1 1 99 99 MET H H 99 7.934 7.934 8.108 -0.174 18485 6133 1 10 . 1 1 100 100 LEU N N 100 118.006 118.006 118.414 -0.408 18485 6134 1 10 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.853 -0.062 18485 6135 1 10 . 1 1 100 100 LEU C C 100 178.592 178.592 178.878 -0.286 18485 6136 1 10 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.060 0.542 18485 6137 1 10 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.222 -0.522 18485 6138 1 10 . 1 1 100 100 LEU H H 100 8.131 8.131 7.733 0.398 18485 6139 1 10 . 1 1 101 101 ARG N N 101 118.551 118.551 118.214 0.337 18485 6140 1 10 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.041 0.085 18485 6141 1 10 . 1 1 101 101 ARG C C 101 181.117 181.117 178.334 2.783 18485 6142 1 10 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.869 0.408 18485 6143 1 10 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.768 0.024 18485 6144 1 10 . 1 1 101 101 ARG H H 101 8.045 8.045 7.458 0.587 18485 6145 1 10 . 1 1 102 102 ASP N N 102 122.544 122.544 120.034 2.510 18485 6146 1 10 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.572 -0.167 18485 6147 1 10 . 1 1 102 102 ASP C C 102 178.405 178.405 178.095 0.310 18485 6148 1 10 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.585 0.717 18485 6149 1 10 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.109 -0.796 18485 6150 1 10 . 1 1 102 102 ASP H H 102 8.828 8.828 8.201 0.627 18485 6151 1 10 . 1 1 103 103 LYS N N 103 116.177 116.177 117.418 -1.241 18485 6152 1 10 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.503 -0.107 18485 6153 1 10 . 1 1 103 103 LYS C C 103 176.282 176.282 176.742 -0.460 18485 6154 1 10 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.880 0.444 18485 6155 1 10 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.857 -0.142 18485 6156 1 10 . 1 1 103 103 LYS H H 103 7.847 7.847 8.155 -0.308 18485 6157 1 10 . 1 1 104 104 GLY N N 104 108.597 108.597 107.341 1.256 18485 6158 1 10 . 1 1 104 104 GLY C C 104 174.450 174.450 174.768 -0.318 18485 6159 1 10 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.253 1.070 18485 6160 1 10 . 1 1 104 104 GLY H H 104 7.930 7.930 7.746 0.184 18485 6161 1 10 . 1 1 105 105 ILE N N 105 123.232 123.232 119.309 3.923 18485 6162 1 10 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.248 -0.139 18485 6163 1 10 . 1 1 105 105 ILE C C 105 175.374 175.374 176.887 -1.513 18485 6164 1 10 . 1 1 105 105 ILE CA C 105 60.643 60.643 58.761 1.882 18485 6165 1 10 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.076 0.612 18485 6166 1 10 . 1 1 105 105 ILE H H 105 8.323 8.323 7.938 0.385 18485 6167 1 10 . 1 1 106 106 THR N N 106 123.522 123.522 120.444 3.078 18485 6168 1 10 . 1 1 106 106 THR HA H 106 4.155 4.155 4.303 -0.148 18485 6169 1 10 . 1 1 106 106 THR C C 106 173.223 173.223 173.646 -0.423 18485 6170 1 10 . 1 1 106 106 THR CA C 106 63.189 63.189 63.542 -0.353 18485 6171 1 10 . 1 1 106 106 THR CB C 106 69.242 69.242 69.094 0.148 18485 6172 1 10 . 1 1 106 106 THR H H 106 8.521 8.521 8.428 0.093 18485 6173 1 10 . 1 1 107 107 CYS N N 107 120.688 120.688 122.787 -2.099 18485 6174 1 10 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.282 -0.414 18485 6175 1 10 . 1 1 107 107 CYS C C 107 173.798 173.798 173.458 0.340 18485 6176 1 10 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.097 0.455 18485 6177 1 10 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.568 -1.106 18485 6178 1 10 . 1 1 107 107 CYS H H 107 8.247 8.247 8.122 0.125 18485 6179 1 10 . 1 1 108 108 ARG N N 108 122.349 122.349 120.618 1.731 18485 6180 1 10 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.212 0.079 18485 6181 1 10 . 1 1 108 108 ARG C C 108 175.547 175.547 176.153 -0.606 18485 6182 1 10 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.748 -0.448 18485 6183 1 10 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.558 0.718 18485 6184 1 10 . 1 1 108 108 ARG H H 108 8.512 8.512 8.367 0.145 18485 6185 1 10 . 1 1 109 109 ASP N N 109 121.453 121.453 120.542 0.911 18485 6186 1 10 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.457 0.168 18485 6187 1 10 . 1 1 109 109 ASP C C 109 174.973 174.973 176.454 -1.481 18485 6188 1 10 . 1 1 109 109 ASP CA C 109 54.239 54.239 54.750 -0.511 18485 6189 1 10 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.229 -0.273 18485 6190 1 10 . 1 1 109 109 ASP H H 109 8.399 8.399 8.372 0.027 18485 6191 1 11 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.529 -0.117 18485 6192 1 11 . 1 1 2 2 ALA C C 2 177.283 177.283 175.237 2.046 18485 6193 1 11 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.867 0.417 18485 6194 1 11 . 1 1 2 2 ALA CB C 2 19.504 19.504 21.209 -1.705 18485 6195 1 11 . 1 1 3 3 MET N N 3 121.052 121.052 122.838 -1.786 18485 6196 1 11 . 1 1 3 3 MET HA H 3 4.458 4.458 4.617 -0.160 18485 6197 1 11 . 1 1 3 3 MET C C 3 175.185 175.185 176.030 -0.845 18485 6198 1 11 . 1 1 3 3 MET CA C 3 56.001 56.001 55.337 0.664 18485 6199 1 11 . 1 1 3 3 MET CB C 3 34.282 34.282 33.220 1.062 18485 6200 1 11 . 1 1 3 3 MET H H 3 8.313 8.313 8.207 0.106 18485 6201 1 11 . 1 1 4 4 VAL N N 4 116.976 116.976 120.997 -4.021 18485 6202 1 11 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.679 -0.037 18485 6203 1 11 . 1 1 4 4 VAL C C 4 176.976 176.976 176.655 0.321 18485 6204 1 11 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.505 0.247 18485 6205 1 11 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.156 0.722 18485 6206 1 11 . 1 1 4 4 VAL H H 4 8.432 8.432 8.934 -0.502 18485 6207 1 11 . 1 1 5 5 LYS N N 5 123.795 123.795 123.468 0.327 18485 6208 1 11 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.051 -0.465 18485 6209 1 11 . 1 1 5 5 LYS C C 5 178.205 178.205 178.172 0.033 18485 6210 1 11 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.999 1.062 18485 6211 1 11 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.016 0.207 18485 6212 1 11 . 1 1 5 5 LYS H H 5 8.725 8.725 8.765 -0.040 18485 6213 1 11 . 1 1 6 6 LYS N N 6 117.559 117.559 118.554 -0.995 18485 6214 1 11 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.067 0.007 18485 6215 1 11 . 1 1 6 6 LYS C C 6 176.976 176.976 178.212 -1.236 18485 6216 1 11 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.546 -0.527 18485 6217 1 11 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.020 0.638 18485 6218 1 11 . 1 1 6 6 LYS H H 6 8.395 8.395 8.437 -0.042 18485 6219 1 11 . 1 1 7 7 ASP N N 7 116.710 116.710 119.146 -2.436 18485 6220 1 11 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.479 -0.115 18485 6221 1 11 . 1 1 7 7 ASP C C 7 179.180 179.180 178.228 0.952 18485 6222 1 11 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.398 0.012 18485 6223 1 11 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.714 0.161 18485 6224 1 11 . 1 1 7 7 ASP H H 7 7.415 7.415 8.049 -0.634 18485 6225 1 11 . 1 1 8 8 ILE N N 8 120.990 120.990 119.812 1.178 18485 6226 1 11 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.619 -0.342 18485 6227 1 11 . 1 1 8 8 ILE C C 8 177.537 177.537 177.331 0.206 18485 6228 1 11 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.443 0.117 18485 6229 1 11 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.779 -0.710 18485 6230 1 11 . 1 1 8 8 ILE H H 8 7.302 7.302 7.428 -0.126 18485 6231 1 11 . 1 1 9 9 ASP N N 9 120.214 120.214 121.673 -1.459 18485 6232 1 11 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.482 -0.275 18485 6233 1 11 . 1 1 9 9 ASP C C 9 178.564 178.564 178.474 0.090 18485 6234 1 11 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.868 0.140 18485 6235 1 11 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.163 0.719 18485 6236 1 11 . 1 1 9 9 ASP H H 9 7.884 7.884 8.415 -0.531 18485 6237 1 11 . 1 1 10 10 ASP N N 10 117.314 117.314 117.059 0.255 18485 6238 1 11 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.553 -0.229 18485 6239 1 11 . 1 1 10 10 ASP C C 10 179.340 179.340 178.276 1.064 18485 6240 1 11 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.779 0.407 18485 6241 1 11 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.565 -0.652 18485 6242 1 11 . 1 1 10 10 ASP H H 10 8.856 8.856 8.310 0.546 18485 6243 1 11 . 1 1 11 11 THR N N 11 119.032 119.032 117.073 1.959 18485 6244 1 11 . 1 1 11 11 THR HA H 11 4.061 4.061 4.147 -0.086 18485 6245 1 11 . 1 1 11 11 THR C C 11 175.574 175.574 176.018 -0.444 18485 6246 1 11 . 1 1 11 11 THR CA C 11 67.210 67.210 66.766 0.444 18485 6247 1 11 . 1 1 11 11 THR CB C 11 68.319 68.319 68.892 -0.574 18485 6248 1 11 . 1 1 11 11 THR H H 11 7.670 7.670 7.379 0.291 18485 6249 1 11 . 1 1 12 12 ILE N N 12 122.228 122.228 121.246 0.982 18485 6250 1 11 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.612 0.027 18485 6251 1 11 . 1 1 12 12 ILE C C 12 177.455 177.455 177.682 -0.227 18485 6252 1 11 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.306 -0.398 18485 6253 1 11 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.569 0.009 18485 6254 1 11 . 1 1 12 12 ILE H H 12 8.303 8.303 8.247 0.056 18485 6255 1 11 . 1 1 13 13 LYS N N 13 114.462 114.462 117.159 -2.697 18485 6256 1 11 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.180 -0.046 18485 6257 1 11 . 1 1 13 13 LYS C C 13 177.547 177.547 177.331 0.216 18485 6258 1 11 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.544 -0.144 18485 6259 1 11 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.523 0.483 18485 6260 1 11 . 1 1 13 13 LYS H H 13 7.709 7.709 7.642 0.067 18485 6261 1 11 . 1 1 14 14 SER N N 14 112.642 112.642 111.594 1.048 18485 6262 1 11 . 1 1 14 14 SER HA H 14 4.551 4.551 4.590 -0.039 18485 6263 1 11 . 1 1 14 14 SER C C 14 174.532 174.532 174.491 0.041 18485 6264 1 11 . 1 1 14 14 SER CA C 14 59.744 59.744 58.483 1.261 18485 6265 1 11 . 1 1 14 14 SER CB C 14 65.009 65.009 65.274 -0.265 18485 6266 1 11 . 1 1 14 14 SER H H 14 7.749 7.749 7.625 0.124 18485 6267 1 11 . 1 1 15 15 GLU N N 15 121.266 121.266 122.010 -0.744 18485 6268 1 11 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.322 0.242 18485 6269 1 11 . 1 1 15 15 GLU C C 15 176.789 176.789 176.217 0.572 18485 6270 1 11 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.958 -1.512 18485 6271 1 11 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.643 -0.317 18485 6272 1 11 . 1 1 15 15 GLU H H 15 8.101 8.101 8.072 0.029 18485 6273 1 11 . 1 1 16 16 ASP N N 16 122.253 122.253 121.139 1.114 18485 6274 1 11 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.691 -0.351 18485 6275 1 11 . 1 1 16 16 ASP C C 16 176.469 176.469 176.042 0.427 18485 6276 1 11 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.516 2.243 18485 6277 1 11 . 1 1 16 16 ASP CB C 16 40.818 40.818 41.980 -1.162 18485 6278 1 11 . 1 1 16 16 ASP H H 16 8.685 8.685 8.812 -0.127 18485 6279 1 11 . 1 1 17 17 VAL N N 17 118.536 118.536 117.516 1.020 18485 6280 1 11 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.899 0.016 18485 6281 1 11 . 1 1 17 17 VAL C C 17 174.452 174.452 173.870 0.582 18485 6282 1 11 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.316 0.587 18485 6283 1 11 . 1 1 17 17 VAL CB C 17 34.377 34.377 35.377 -1.000 18485 6284 1 11 . 1 1 17 17 VAL H H 17 8.547 8.547 7.672 0.875 18485 6285 1 11 . 1 1 18 18 VAL N N 18 125.917 125.917 126.882 -0.965 18485 6286 1 11 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.179 0.076 18485 6287 1 11 . 1 1 18 18 VAL C C 18 174.158 174.158 174.380 -0.222 18485 6288 1 11 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.871 -0.769 18485 6289 1 11 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.076 -0.021 18485 6290 1 11 . 1 1 18 18 VAL H H 18 8.755 8.755 9.271 -0.516 18485 6291 1 11 . 1 1 19 19 THR N N 19 120.107 120.107 119.316 0.791 18485 6292 1 11 . 1 1 19 19 THR HA H 19 5.795 5.795 5.222 0.573 18485 6293 1 11 . 1 1 19 19 THR C C 19 171.126 171.126 172.722 -1.596 18485 6294 1 11 . 1 1 19 19 THR CA C 19 58.118 58.118 60.275 -2.157 18485 6295 1 11 . 1 1 19 19 THR CB C 19 72.547 72.547 71.260 1.287 18485 6296 1 11 . 1 1 19 19 THR H H 19 8.938 8.938 8.670 0.268 18485 6297 1 11 . 1 1 20 20 PHE N N 20 125.287 125.287 126.977 -1.690 18485 6298 1 11 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.433 0.071 18485 6299 1 11 . 1 1 20 20 PHE C C 20 175.200 175.200 175.333 -0.133 18485 6300 1 11 . 1 1 20 20 PHE CA C 20 56.498 56.498 57.082 -0.584 18485 6301 1 11 . 1 1 20 20 PHE CB C 20 41.661 41.661 40.220 1.441 18485 6302 1 11 . 1 1 20 20 PHE H H 20 8.230 8.230 8.828 -0.598 18485 6303 1 11 . 1 1 21 21 ILE N N 21 114.660 114.660 117.012 -2.352 18485 6304 1 11 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.884 -0.072 18485 6305 1 11 . 1 1 21 21 ILE C C 21 173.918 173.918 174.353 -0.435 18485 6306 1 11 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.069 0.294 18485 6307 1 11 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.523 1.297 18485 6308 1 11 . 1 1 21 21 ILE H H 21 9.042 9.042 9.369 -0.327 18485 6309 1 11 . 1 1 22 22 LYS N N 22 117.197 117.197 122.789 -5.592 18485 6310 1 11 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.568 0.035 18485 6311 1 11 . 1 1 22 22 LYS C C 22 175.935 175.935 175.714 0.221 18485 6312 1 11 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.658 1.040 18485 6313 1 11 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.480 1.714 18485 6314 1 11 . 1 1 22 22 LYS H H 22 8.581 8.581 8.572 0.009 18485 6315 1 11 . 1 1 23 23 GLY N N 23 117.108 117.108 108.023 9.085 18485 6316 1 11 . 1 1 23 23 GLY C C 23 170.793 170.793 172.619 -1.826 18485 6317 1 11 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.712 -0.075 18485 6318 1 11 . 1 1 23 23 GLY H H 23 9.178 9.178 7.562 1.616 18485 6319 1 11 . 1 1 24 24 LEU N N 24 117.859 117.859 121.555 -3.696 18485 6320 1 11 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.610 0.250 18485 6321 1 11 . 1 1 24 24 LEU C C 24 176.709 176.709 176.656 0.053 18485 6322 1 11 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.662 -1.712 18485 6323 1 11 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.324 1.684 18485 6324 1 11 . 1 1 24 24 LEU H H 24 7.162 7.162 8.091 -0.929 18485 6325 1 11 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.456 -0.503 18485 6326 1 11 . 1 1 25 25 PRO C C 25 177.190 177.190 177.790 -0.600 18485 6327 1 11 . 1 1 25 25 PRO CA C 25 66.322 66.322 65.079 1.243 18485 6328 1 11 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.207 -0.483 18485 6329 1 11 . 1 1 26 26 GLU N N 26 111.260 111.260 118.166 -6.906 18485 6330 1 11 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.251 -0.046 18485 6331 1 11 . 1 1 26 26 GLU C C 26 176.429 176.429 176.715 -0.286 18485 6332 1 11 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.339 -0.596 18485 6333 1 11 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.374 -0.676 18485 6334 1 11 . 1 1 26 26 GLU H H 26 8.807 8.807 8.447 0.360 18485 6335 1 11 . 1 1 27 27 ALA N N 27 122.547 122.547 123.101 -0.554 18485 6336 1 11 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.635 -0.048 18485 6337 1 11 . 1 1 27 27 ALA C C 27 172.342 172.342 175.091 -2.749 18485 6338 1 11 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.840 1.044 18485 6339 1 11 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.648 0.047 18485 6340 1 11 . 1 1 27 27 ALA H H 27 7.856 7.856 7.777 0.079 18485 6341 1 11 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.541 0.101 18485 6342 1 11 . 1 1 28 28 PRO C C 28 178.512 178.512 176.404 2.108 18485 6343 1 11 . 1 1 28 28 PRO CA C 28 63.106 63.106 63.066 0.040 18485 6344 1 11 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.557 -0.492 18485 6345 1 11 . 1 1 29 29 MET N N 29 119.426 119.426 117.703 1.723 18485 6346 1 11 . 1 1 29 29 MET HA H 29 4.758 4.758 4.530 0.228 18485 6347 1 11 . 1 1 29 29 MET C C 29 175.374 175.374 175.917 -0.543 18485 6348 1 11 . 1 1 29 29 MET CA C 29 54.594 54.594 55.871 -1.277 18485 6349 1 11 . 1 1 29 29 MET CB C 29 33.036 33.036 32.944 0.092 18485 6350 1 11 . 1 1 29 29 MET H H 29 8.828 8.828 8.730 0.098 18485 6351 1 11 . 1 1 30 30 CYS N N 30 116.089 116.089 119.007 -2.918 18485 6352 1 11 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.648 0.204 18485 6353 1 11 . 1 1 30 30 CYS C C 30 176.028 176.028 174.538 1.490 18485 6354 1 11 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.561 1.164 18485 6355 1 11 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.277 1.982 18485 6356 1 11 . 1 1 30 30 CYS H H 30 7.455 7.455 7.592 -0.137 18485 6357 1 11 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.991 0.089 18485 6358 1 11 . 1 1 31 31 ALA C C 31 180.222 180.222 178.915 1.307 18485 6359 1 11 . 1 1 31 31 ALA CA C 31 54.694 54.694 55.044 -0.350 18485 6360 1 11 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.438 0.243 18485 6361 1 11 . 1 1 32 32 TYR N N 32 121.972 121.972 116.714 5.258 18485 6362 1 11 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.246 0.087 18485 6363 1 11 . 1 1 32 32 TYR C C 32 178.673 178.673 178.284 0.389 18485 6364 1 11 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.747 -0.818 18485 6365 1 11 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.439 -0.402 18485 6366 1 11 . 1 1 32 32 TYR H H 32 8.846 8.846 8.205 0.641 18485 6367 1 11 . 1 1 33 33 SER N N 33 125.375 125.375 115.493 9.882 18485 6368 1 11 . 1 1 33 33 SER HA H 33 4.013 4.013 4.213 -0.200 18485 6369 1 11 . 1 1 33 33 SER C C 33 174.906 174.906 176.223 -1.317 18485 6370 1 11 . 1 1 33 33 SER CA C 33 64.417 64.417 62.468 1.949 18485 6371 1 11 . 1 1 33 33 SER CB C 33 62.687 62.687 62.465 0.222 18485 6372 1 11 . 1 1 33 33 SER H H 33 10.272 10.272 7.751 2.521 18485 6373 1 11 . 1 1 34 34 LYS N N 34 121.216 121.216 122.955 -1.739 18485 6374 1 11 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.009 -0.156 18485 6375 1 11 . 1 1 34 34 LYS C C 34 177.083 177.083 178.781 -1.698 18485 6376 1 11 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.976 0.687 18485 6377 1 11 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.240 -0.090 18485 6378 1 11 . 1 1 34 34 LYS H H 34 8.024 8.024 7.869 0.155 18485 6379 1 11 . 1 1 35 35 ARG N N 35 117.269 117.269 119.498 -2.229 18485 6380 1 11 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.102 0.047 18485 6381 1 11 . 1 1 35 35 ARG C C 35 178.058 178.058 179.169 -1.111 18485 6382 1 11 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.470 0.506 18485 6383 1 11 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.722 -0.010 18485 6384 1 11 . 1 1 35 35 ARG H H 35 7.559 7.559 8.299 -0.740 18485 6385 1 11 . 1 1 36 36 MET N N 36 117.954 117.954 119.280 -1.326 18485 6386 1 11 . 1 1 36 36 MET HA H 36 4.068 4.068 4.154 -0.086 18485 6387 1 11 . 1 1 36 36 MET C C 36 176.963 176.963 178.067 -1.104 18485 6388 1 11 . 1 1 36 36 MET CA C 36 58.195 58.195 57.476 0.719 18485 6389 1 11 . 1 1 36 36 MET CB C 36 31.742 31.742 32.004 -0.262 18485 6390 1 11 . 1 1 36 36 MET H H 36 8.027 8.027 8.140 -0.113 18485 6391 1 11 . 1 1 37 37 ILE N N 37 118.650 118.650 118.622 0.028 18485 6392 1 11 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.520 -0.000 18485 6393 1 11 . 1 1 37 37 ILE C C 37 177.631 177.631 177.745 -0.114 18485 6394 1 11 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.444 -1.571 18485 6395 1 11 . 1 1 37 37 ILE CB C 37 35.172 35.172 35.884 -0.712 18485 6396 1 11 . 1 1 37 37 ILE H H 37 7.825 7.825 7.862 -0.037 18485 6397 1 11 . 1 1 38 38 ASP N N 38 119.229 119.229 120.097 -0.868 18485 6398 1 11 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.324 0.006 18485 6399 1 11 . 1 1 38 38 ASP C C 38 180.208 180.208 178.671 1.537 18485 6400 1 11 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.918 -0.388 18485 6401 1 11 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.768 -0.798 18485 6402 1 11 . 1 1 38 38 ASP H H 38 8.629 8.629 8.404 0.225 18485 6403 1 11 . 1 1 39 39 VAL N N 39 121.475 121.475 119.324 2.151 18485 6404 1 11 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.698 -0.123 18485 6405 1 11 . 1 1 39 39 VAL C C 39 177.056 177.056 178.130 -1.074 18485 6406 1 11 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.923 0.887 18485 6407 1 11 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.515 -0.020 18485 6408 1 11 . 1 1 39 39 VAL H H 39 7.879 7.879 7.414 0.465 18485 6409 1 11 . 1 1 40 40 LEU N N 40 118.145 118.145 118.709 -0.564 18485 6410 1 11 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.972 -0.198 18485 6411 1 11 . 1 1 40 40 LEU C C 40 179.794 179.794 179.047 0.747 18485 6412 1 11 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.865 0.299 18485 6413 1 11 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.026 -0.429 18485 6414 1 11 . 1 1 40 40 LEU H H 40 7.574 7.574 7.298 0.276 18485 6415 1 11 . 1 1 41 41 GLU N N 41 116.305 116.305 118.944 -2.639 18485 6416 1 11 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.260 0.037 18485 6417 1 11 . 1 1 41 41 GLU C C 41 181.117 181.117 178.928 2.189 18485 6418 1 11 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.161 0.391 18485 6419 1 11 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.551 -0.430 18485 6420 1 11 . 1 1 41 41 GLU H H 41 8.871 8.871 8.523 0.348 18485 6421 1 11 . 1 1 42 42 ALA N N 42 124.797 124.797 121.022 3.775 18485 6422 1 11 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.196 -0.031 18485 6423 1 11 . 1 1 42 42 ALA C C 42 180.275 180.275 178.631 1.644 18485 6424 1 11 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.321 0.659 18485 6425 1 11 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.938 -1.279 18485 6426 1 11 . 1 1 42 42 ALA H H 42 8.285 8.285 8.354 -0.069 18485 6427 1 11 . 1 1 43 43 LEU N N 43 115.767 115.767 115.337 0.430 18485 6428 1 11 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.458 -0.209 18485 6429 1 11 . 1 1 43 43 LEU C C 43 177.177 177.177 176.655 0.522 18485 6430 1 11 . 1 1 43 43 LEU CA C 43 55.406 55.406 53.935 1.471 18485 6431 1 11 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.461 1.022 18485 6432 1 11 . 1 1 43 43 LEU H H 43 7.528 7.528 7.462 0.066 18485 6433 1 11 . 1 1 44 44 GLY N N 44 108.593 108.593 107.445 1.148 18485 6434 1 11 . 1 1 44 44 GLY C C 44 175.011 175.011 174.653 0.358 18485 6435 1 11 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.403 0.938 18485 6436 1 11 . 1 1 44 44 GLY H H 44 7.927 7.927 7.422 0.505 18485 6437 1 11 . 1 1 45 45 LEU N N 45 117.269 117.269 117.627 -0.358 18485 6438 1 11 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.867 -0.415 18485 6439 1 11 . 1 1 45 45 LEU C C 45 176.976 176.976 176.838 0.138 18485 6440 1 11 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.343 1.057 18485 6441 1 11 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.276 -0.560 18485 6442 1 11 . 1 1 45 45 LEU H H 45 7.482 7.482 8.042 -0.560 18485 6443 1 11 . 1 1 46 46 GLU N N 46 121.177 121.177 121.154 0.023 18485 6444 1 11 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.420 0.043 18485 6445 1 11 . 1 1 46 46 GLU C C 46 176.135 176.135 175.173 0.962 18485 6446 1 11 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.399 0.125 18485 6447 1 11 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.323 -0.090 18485 6448 1 11 . 1 1 46 46 GLU H H 46 8.250 8.250 8.718 -0.468 18485 6449 1 11 . 1 1 47 47 TYR N N 47 119.617 119.617 120.017 -0.400 18485 6450 1 11 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.338 -0.040 18485 6451 1 11 . 1 1 47 47 TYR C C 47 173.798 173.798 174.954 -1.156 18485 6452 1 11 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.317 0.507 18485 6453 1 11 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.365 0.706 18485 6454 1 11 . 1 1 47 47 TYR H H 47 7.874 7.874 7.743 0.131 18485 6455 1 11 . 1 1 48 48 THR N N 48 117.577 117.577 118.532 -0.955 18485 6456 1 11 . 1 1 48 48 THR HA H 48 4.266 4.266 4.440 -0.174 18485 6457 1 11 . 1 1 48 48 THR C C 48 171.941 171.941 173.189 -1.248 18485 6458 1 11 . 1 1 48 48 THR CA C 48 62.299 62.299 61.741 0.558 18485 6459 1 11 . 1 1 48 48 THR CB C 48 70.899 70.899 70.159 0.740 18485 6460 1 11 . 1 1 48 48 THR H H 48 8.549 8.549 8.442 0.107 18485 6461 1 11 . 1 1 49 49 SER N N 49 121.488 121.488 121.595 -0.107 18485 6462 1 11 . 1 1 49 49 SER HA H 49 5.516 5.516 4.909 0.607 18485 6463 1 11 . 1 1 49 49 SER C C 49 173.691 173.691 173.385 0.306 18485 6464 1 11 . 1 1 49 49 SER CA C 49 55.758 55.758 57.272 -1.514 18485 6465 1 11 . 1 1 49 49 SER CB C 49 66.386 66.386 64.170 2.216 18485 6466 1 11 . 1 1 49 49 SER H H 49 8.536 8.536 8.564 -0.028 18485 6467 1 11 . 1 1 50 50 PHE N N 50 124.791 124.791 124.396 0.395 18485 6468 1 11 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.699 0.016 18485 6469 1 11 . 1 1 50 50 PHE C C 50 173.608 173.608 173.633 -0.025 18485 6470 1 11 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.032 0.307 18485 6471 1 11 . 1 1 50 50 PHE CB C 50 43.529 43.529 43.119 0.410 18485 6472 1 11 . 1 1 50 50 PHE H H 50 8.627 8.627 8.979 -0.352 18485 6473 1 11 . 1 1 51 51 ASP N N 51 120.606 120.606 123.123 -2.517 18485 6474 1 11 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.535 -0.165 18485 6475 1 11 . 1 1 51 51 ASP C C 51 178.779 178.779 177.566 1.213 18485 6476 1 11 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.464 -0.230 18485 6477 1 11 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.767 0.408 18485 6478 1 11 . 1 1 51 51 ASP H H 51 8.415 8.415 8.669 -0.254 18485 6479 1 11 . 1 1 52 52 VAL N N 52 119.623 119.623 120.252 -0.629 18485 6480 1 11 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.118 -0.012 18485 6481 1 11 . 1 1 52 52 VAL C C 52 176.682 176.682 176.349 0.333 18485 6482 1 11 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.246 -0.918 18485 6483 1 11 . 1 1 52 52 VAL CB C 52 31.774 31.774 32.056 -0.282 18485 6484 1 11 . 1 1 52 52 VAL H H 52 9.307 9.307 8.382 0.925 18485 6485 1 11 . 1 1 53 53 LEU N N 53 118.392 118.392 119.283 -0.891 18485 6486 1 11 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.359 -0.101 18485 6487 1 11 . 1 1 53 53 LEU C C 53 179.153 179.153 177.504 1.649 18485 6488 1 11 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.022 -0.259 18485 6489 1 11 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.399 -0.364 18485 6490 1 11 . 1 1 53 53 LEU H H 53 9.008 9.008 8.069 0.939 18485 6491 1 11 . 1 1 54 54 ALA N N 54 119.577 119.577 119.824 -0.247 18485 6492 1 11 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.471 -0.231 18485 6493 1 11 . 1 1 54 54 ALA C C 54 177.657 177.657 176.810 0.847 18485 6494 1 11 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.606 0.782 18485 6495 1 11 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.847 -0.728 18485 6496 1 11 . 1 1 54 54 ALA H H 54 7.304 7.304 7.540 -0.236 18485 6497 1 11 . 1 1 55 55 HIS N N 55 114.383 114.383 117.341 -2.958 18485 6498 1 11 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.813 0.311 18485 6499 1 11 . 1 1 55 55 HIS C C 55 174.238 174.238 173.007 1.231 18485 6500 1 11 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.885 -0.791 18485 6501 1 11 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.824 0.965 18485 6502 1 11 . 1 1 55 55 HIS H H 55 6.894 6.894 7.845 -0.951 18485 6503 1 11 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.325 0.001 18485 6504 1 11 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.265 -0.003 18485 6505 1 11 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.343 -0.302 18485 6506 1 11 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.764 0.223 18485 6507 1 11 . 1 1 57 57 VAL C C 57 177.804 177.804 177.966 -0.162 18485 6508 1 11 . 1 1 57 57 VAL CA C 57 65.327 65.327 67.068 -1.741 18485 6509 1 11 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.627 -0.405 18485 6510 1 11 . 1 1 57 57 VAL H H 57 9.778 9.778 7.546 2.232 18485 6511 1 11 . 1 1 58 58 VAL N N 58 120.641 120.641 119.520 1.121 18485 6512 1 11 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.714 -0.182 18485 6513 1 11 . 1 1 58 58 VAL C C 58 177.270 177.270 177.599 -0.329 18485 6514 1 11 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.806 -0.896 18485 6515 1 11 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.524 -0.102 18485 6516 1 11 . 1 1 58 58 VAL H H 58 7.540 7.540 7.773 -0.233 18485 6517 1 11 . 1 1 59 59 ARG N N 59 118.263 118.263 119.421 -1.158 18485 6518 1 11 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.049 -0.135 18485 6519 1 11 . 1 1 59 59 ARG C C 59 178.579 178.579 178.481 0.098 18485 6520 1 11 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.586 0.393 18485 6521 1 11 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.643 0.309 18485 6522 1 11 . 1 1 59 59 ARG H H 59 7.536 7.536 7.610 -0.074 18485 6523 1 11 . 1 1 60 60 SER N N 60 113.091 113.091 117.372 -4.281 18485 6524 1 11 . 1 1 60 60 SER HA H 60 4.161 4.161 4.187 -0.026 18485 6525 1 11 . 1 1 60 60 SER C C 60 175.761 175.761 176.241 -0.480 18485 6526 1 11 . 1 1 60 60 SER CA C 60 61.435 61.435 62.240 -0.805 18485 6527 1 11 . 1 1 60 60 SER CB C 60 62.721 62.721 62.888 -0.167 18485 6528 1 11 . 1 1 60 60 SER H H 60 8.204 8.204 8.319 -0.115 18485 6529 1 11 . 1 1 61 61 TYR N N 61 123.436 123.436 122.996 0.440 18485 6530 1 11 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.075 -0.193 18485 6531 1 11 . 1 1 61 61 TYR C C 61 177.731 177.731 177.236 0.495 18485 6532 1 11 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.916 0.112 18485 6533 1 11 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.547 0.608 18485 6534 1 11 . 1 1 61 61 TYR H H 61 8.024 8.024 8.327 -0.303 18485 6535 1 11 . 1 1 62 62 VAL N N 62 115.253 115.253 114.246 1.007 18485 6536 1 11 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.692 -0.163 18485 6537 1 11 . 1 1 62 62 VAL C C 62 176.990 176.990 177.977 -0.987 18485 6538 1 11 . 1 1 62 62 VAL CA C 62 65.224 65.224 64.943 0.281 18485 6539 1 11 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.284 0.152 18485 6540 1 11 . 1 1 62 62 VAL H H 62 7.754 7.754 7.399 0.355 18485 6541 1 11 . 1 1 63 63 LYS N N 63 117.543 117.543 119.551 -2.008 18485 6542 1 11 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.172 -0.143 18485 6543 1 11 . 1 1 63 63 LYS C C 63 177.549 177.549 178.929 -1.380 18485 6544 1 11 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.588 -0.261 18485 6545 1 11 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.431 0.330 18485 6546 1 11 . 1 1 63 63 LYS H H 63 7.367 7.367 7.404 -0.037 18485 6547 1 11 . 1 1 64 64 GLU N N 64 116.093 116.093 116.508 -0.415 18485 6548 1 11 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.263 -0.149 18485 6549 1 11 . 1 1 64 64 GLU C C 64 177.547 177.547 177.611 -0.064 18485 6550 1 11 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.229 -0.724 18485 6551 1 11 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.213 -0.836 18485 6552 1 11 . 1 1 64 64 GLU H H 64 7.701 7.701 8.342 -0.641 18485 6553 1 11 . 1 1 65 65 VAL N N 65 116.739 116.739 118.730 -1.991 18485 6554 1 11 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.963 -0.128 18485 6555 1 11 . 1 1 65 65 VAL C C 65 176.335 176.335 177.314 -0.979 18485 6556 1 11 . 1 1 65 65 VAL CA C 65 63.496 63.496 64.063 -0.567 18485 6557 1 11 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.458 -0.215 18485 6558 1 11 . 1 1 65 65 VAL H H 65 7.608 7.608 8.042 -0.434 18485 6559 1 11 . 1 1 66 66 SER N N 66 114.353 114.353 114.539 -0.186 18485 6560 1 11 . 1 1 66 66 SER HA H 66 4.230 4.230 4.408 -0.178 18485 6561 1 11 . 1 1 66 66 SER C C 66 174.345 174.345 175.291 -0.946 18485 6562 1 11 . 1 1 66 66 SER CA C 66 58.038 58.038 59.066 -1.028 18485 6563 1 11 . 1 1 66 66 SER CB C 66 63.898 63.898 64.773 -0.875 18485 6564 1 11 . 1 1 66 66 SER H H 66 7.526 7.526 7.590 -0.064 18485 6565 1 11 . 1 1 67 67 GLU N N 67 121.681 121.681 115.979 5.702 18485 6566 1 11 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.918 -0.053 18485 6567 1 11 . 1 1 67 67 GLU C C 67 175.748 175.748 175.814 -0.066 18485 6568 1 11 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.555 0.290 18485 6569 1 11 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.688 1.692 18485 6570 1 11 . 1 1 67 67 GLU H H 67 7.966 7.966 7.847 0.119 18485 6571 1 11 . 1 1 68 68 TRP N N 68 119.264 119.264 122.085 -2.821 18485 6572 1 11 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.644 0.291 18485 6573 1 11 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.680 -1.824 18485 6574 1 11 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.990 0.727 18485 6575 1 11 . 1 1 68 68 TRP H H 68 7.633 7.633 7.362 0.271 18485 6576 1 11 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.301 0.141 18485 6577 1 11 . 1 1 69 69 PRO C C 69 176.375 176.375 176.181 0.194 18485 6578 1 11 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.839 -0.272 18485 6579 1 11 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.762 -0.249 18485 6580 1 11 . 1 1 70 70 THR N N 70 114.312 114.312 116.286 -1.974 18485 6581 1 11 . 1 1 70 70 THR HA H 70 4.344 4.344 4.261 0.083 18485 6582 1 11 . 1 1 70 70 THR C C 70 172.275 172.275 173.671 -1.396 18485 6583 1 11 . 1 1 70 70 THR CA C 70 61.465 61.465 62.585 -1.120 18485 6584 1 11 . 1 1 70 70 THR CB C 70 70.433 70.433 69.584 0.849 18485 6585 1 11 . 1 1 70 70 THR H H 70 7.162 7.162 7.389 -0.227 18485 6586 1 11 . 1 1 71 71 ILE N N 71 123.770 123.770 124.083 -0.313 18485 6587 1 11 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.559 -0.057 18485 6588 1 11 . 1 1 71 71 ILE C C 71 175.106 175.106 174.784 0.322 18485 6589 1 11 . 1 1 71 71 ILE CA C 71 55.755 55.755 56.874 -1.119 18485 6590 1 11 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.561 0.516 18485 6591 1 11 . 1 1 71 71 ILE H H 71 8.398 8.398 8.245 0.153 18485 6592 1 11 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.921 0.637 18485 6593 1 11 . 1 1 72 72 PRO C C 72 175.507 175.507 175.703 -0.196 18485 6594 1 11 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.575 -0.137 18485 6595 1 11 . 1 1 72 72 PRO CB C 72 37.656 37.656 32.911 4.745 18485 6596 1 11 . 1 1 73 73 GLN N N 73 112.013 112.013 115.804 -3.791 18485 6597 1 11 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.140 -0.048 18485 6598 1 11 . 1 1 73 73 GLN C C 73 174.559 174.559 174.142 0.417 18485 6599 1 11 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.632 0.897 18485 6600 1 11 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.162 1.278 18485 6601 1 11 . 1 1 73 73 GLN H H 73 8.521 8.521 8.387 0.134 18485 6602 1 11 . 1 1 74 74 LEU N N 74 124.684 124.684 121.704 2.980 18485 6603 1 11 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.383 -0.051 18485 6604 1 11 . 1 1 74 74 LEU C C 74 172.761 172.761 174.616 -1.855 18485 6605 1 11 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.576 0.979 18485 6606 1 11 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.345 0.698 18485 6607 1 11 . 1 1 74 74 LEU H H 74 8.266 8.266 8.912 -0.646 18485 6608 1 11 . 1 1 75 75 PHE N N 75 126.827 126.827 122.757 4.070 18485 6609 1 11 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.493 -0.250 18485 6610 1 11 . 1 1 75 75 PHE C C 75 174.813 174.813 174.891 -0.078 18485 6611 1 11 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.712 0.356 18485 6612 1 11 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.401 -0.752 18485 6613 1 11 . 1 1 75 75 PHE H H 75 9.692 9.692 9.236 0.456 18485 6614 1 11 . 1 1 76 76 ILE N N 76 118.421 118.421 121.664 -3.243 18485 6615 1 11 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.930 0.173 18485 6616 1 11 . 1 1 76 76 ILE C C 76 176.242 176.242 175.987 0.255 18485 6617 1 11 . 1 1 76 76 ILE CA C 76 59.193 59.193 60.349 -1.156 18485 6618 1 11 . 1 1 76 76 ILE CB C 76 40.525 40.525 41.754 -1.229 18485 6619 1 11 . 1 1 76 76 ILE H H 76 8.612 8.612 9.175 -0.563 18485 6620 1 11 . 1 1 77 77 LYS N N 77 129.856 129.856 126.494 3.362 18485 6621 1 11 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.924 0.268 18485 6622 1 11 . 1 1 77 77 LYS C C 77 175.887 175.887 176.340 -0.453 18485 6623 1 11 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.420 -0.819 18485 6624 1 11 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.659 0.940 18485 6625 1 11 . 1 1 77 77 LYS H H 77 10.357 10.357 9.108 1.249 18485 6626 1 11 . 1 1 78 78 ALA N N 78 114.323 114.323 116.501 -2.178 18485 6627 1 11 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.088 -0.250 18485 6628 1 11 . 1 1 78 78 ALA C C 78 175.949 175.949 176.694 -0.745 18485 6629 1 11 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.711 -0.193 18485 6630 1 11 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.079 0.156 18485 6631 1 11 . 1 1 78 78 ALA H H 78 9.554 9.554 8.713 0.841 18485 6632 1 11 . 1 1 79 79 GLU N N 79 120.498 120.498 118.739 1.759 18485 6633 1 11 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.755 0.009 18485 6634 1 11 . 1 1 79 79 GLU C C 79 175.200 175.200 175.329 -0.129 18485 6635 1 11 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.472 0.299 18485 6636 1 11 . 1 1 79 79 GLU CB C 79 32.002 32.002 31.979 0.023 18485 6637 1 11 . 1 1 79 79 GLU H H 79 8.219 8.219 7.902 0.317 18485 6638 1 11 . 1 1 80 80 PHE N N 80 125.962 125.962 125.079 0.883 18485 6639 1 11 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.412 -0.020 18485 6640 1 11 . 1 1 80 80 PHE C C 80 175.280 175.280 174.739 0.541 18485 6641 1 11 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.660 -0.401 18485 6642 1 11 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.037 -0.489 18485 6643 1 11 . 1 1 80 80 PHE H H 80 8.935 8.935 8.723 0.212 18485 6644 1 11 . 1 1 81 81 VAL N N 81 128.637 128.637 124.378 4.259 18485 6645 1 11 . 1 1 81 81 VAL HA H 81 3.769 3.769 4.003 -0.234 18485 6646 1 11 . 1 1 81 81 VAL C C 81 174.733 174.733 174.795 -0.062 18485 6647 1 11 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.296 0.743 18485 6648 1 11 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.767 -1.129 18485 6649 1 11 . 1 1 81 81 VAL H H 81 8.288 8.288 7.932 0.356 18485 6650 1 11 . 1 1 82 82 GLY N N 82 100.310 100.310 105.124 -4.814 18485 6651 1 11 . 1 1 82 82 GLY C C 82 172.515 172.515 172.359 0.156 18485 6652 1 11 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.315 0.905 18485 6653 1 11 . 1 1 82 82 GLY H H 82 5.816 5.816 6.495 -0.679 18485 6654 1 11 . 1 1 83 83 GLY N N 83 104.342 104.342 106.062 -1.720 18485 6655 1 11 . 1 1 83 83 GLY C C 83 173.758 173.758 174.765 -1.007 18485 6656 1 11 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.442 0.381 18485 6657 1 11 . 1 1 83 83 GLY H H 83 7.401 7.401 8.195 -0.794 18485 6658 1 11 . 1 1 84 84 LEU N N 84 118.350 118.350 121.478 -3.128 18485 6659 1 11 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.142 -0.361 18485 6660 1 11 . 1 1 84 84 LEU C C 84 178.245 178.245 178.658 -0.413 18485 6661 1 11 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.938 0.316 18485 6662 1 11 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.577 1.025 18485 6663 1 11 . 1 1 84 84 LEU H H 84 8.807 8.807 8.304 0.503 18485 6664 1 11 . 1 1 85 85 ASP N N 85 118.373 118.373 118.862 -0.489 18485 6665 1 11 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.425 -0.159 18485 6666 1 11 . 1 1 85 85 ASP C C 85 178.296 178.296 178.494 -0.198 18485 6667 1 11 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.286 0.326 18485 6668 1 11 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.624 -1.125 18485 6669 1 11 . 1 1 85 85 ASP H H 85 8.697 8.697 8.560 0.137 18485 6670 1 11 . 1 1 86 86 ILE N N 86 120.495 120.495 119.665 0.830 18485 6671 1 11 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.920 -0.074 18485 6672 1 11 . 1 1 86 86 ILE C C 86 177.657 177.657 178.217 -0.560 18485 6673 1 11 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.922 -1.064 18485 6674 1 11 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.110 0.403 18485 6675 1 11 . 1 1 86 86 ILE H H 86 7.605 7.605 7.344 0.261 18485 6676 1 11 . 1 1 87 87 VAL N N 87 120.596 120.596 116.988 3.608 18485 6677 1 11 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.769 -0.462 18485 6678 1 11 . 1 1 87 87 VAL C C 87 177.629 177.629 178.125 -0.496 18485 6679 1 11 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.413 1.298 18485 6680 1 11 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.373 1.292 18485 6681 1 11 . 1 1 87 87 VAL H H 87 7.934 7.934 8.184 -0.250 18485 6682 1 11 . 1 1 88 88 THR N N 88 112.971 112.971 114.233 -1.262 18485 6683 1 11 . 1 1 88 88 THR HA H 88 3.822 3.822 4.051 -0.229 18485 6684 1 11 . 1 1 88 88 THR C C 88 176.896 176.896 176.661 0.235 18485 6685 1 11 . 1 1 88 88 THR CA C 88 66.898 66.898 66.347 0.551 18485 6686 1 11 . 1 1 88 88 THR CB C 88 68.370 68.370 68.346 0.024 18485 6687 1 11 . 1 1 88 88 THR H H 88 8.719 8.719 7.891 0.828 18485 6688 1 11 . 1 1 89 89 LYS N N 89 123.633 123.633 123.082 0.551 18485 6689 1 11 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.102 0.047 18485 6690 1 11 . 1 1 89 89 LYS C C 89 179.648 179.648 179.245 0.403 18485 6691 1 11 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.433 0.193 18485 6692 1 11 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.002 0.086 18485 6693 1 11 . 1 1 89 89 LYS H H 89 7.568 7.568 8.058 -0.490 18485 6694 1 11 . 1 1 90 90 MET N N 90 118.147 118.147 118.718 -0.571 18485 6695 1 11 . 1 1 90 90 MET HA H 90 4.333 4.333 4.102 0.231 18485 6696 1 11 . 1 1 90 90 MET C C 90 179.634 179.634 178.668 0.966 18485 6697 1 11 . 1 1 90 90 MET CA C 90 58.590 58.590 59.300 -0.710 18485 6698 1 11 . 1 1 90 90 MET CB C 90 34.033 34.033 32.505 1.528 18485 6699 1 11 . 1 1 90 90 MET H H 90 8.520 8.520 8.331 0.189 18485 6700 1 11 . 1 1 91 91 LEU N N 91 124.789 124.789 121.970 2.819 18485 6701 1 11 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.926 0.274 18485 6702 1 11 . 1 1 91 91 LEU C C 91 179.696 179.696 178.948 0.748 18485 6703 1 11 . 1 1 91 91 LEU CA C 91 58.081 58.081 58.038 0.043 18485 6704 1 11 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.852 0.009 18485 6705 1 11 . 1 1 91 91 LEU H H 91 8.792 8.792 8.122 0.670 18485 6706 1 11 . 1 1 92 92 GLU N N 92 118.965 118.965 119.222 -0.257 18485 6707 1 11 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.025 -0.008 18485 6708 1 11 . 1 1 92 92 GLU C C 92 178.352 178.352 178.361 -0.009 18485 6709 1 11 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.005 0.073 18485 6710 1 11 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.509 0.182 18485 6711 1 11 . 1 1 92 92 GLU H H 92 7.999 7.999 8.179 -0.180 18485 6712 1 11 . 1 1 93 93 SER N N 93 111.381 111.381 112.478 -1.097 18485 6713 1 11 . 1 1 93 93 SER HA H 93 4.406 4.406 4.373 0.033 18485 6714 1 11 . 1 1 93 93 SER C C 93 175.948 175.948 175.406 0.542 18485 6715 1 11 . 1 1 93 93 SER CA C 93 59.192 59.192 59.229 -0.037 18485 6716 1 11 . 1 1 93 93 SER CB C 93 64.227 64.227 63.671 0.556 18485 6717 1 11 . 1 1 93 93 SER H H 93 8.270 8.270 7.964 0.306 18485 6718 1 11 . 1 1 94 94 GLY N N 94 109.172 109.172 109.389 -0.217 18485 6719 1 11 . 1 1 94 94 GLY C C 94 174.906 174.906 175.297 -0.391 18485 6720 1 11 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.429 -1.046 18485 6721 1 11 . 1 1 94 94 GLY H H 94 7.406 7.406 8.031 -0.625 18485 6722 1 11 . 1 1 95 95 ASP N N 95 122.640 122.640 122.473 0.167 18485 6723 1 11 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.383 0.096 18485 6724 1 11 . 1 1 95 95 ASP C C 95 178.486 178.486 178.082 0.404 18485 6725 1 11 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.151 0.100 18485 6726 1 11 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.585 0.785 18485 6727 1 11 . 1 1 95 95 ASP H H 95 8.337 8.337 8.061 0.276 18485 6728 1 11 . 1 1 96 96 LEU N N 96 122.329 122.329 120.218 2.111 18485 6729 1 11 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.134 -0.053 18485 6730 1 11 . 1 1 96 96 LEU C C 96 177.070 177.070 178.316 -1.246 18485 6731 1 11 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.128 -0.168 18485 6732 1 11 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.560 -0.658 18485 6733 1 11 . 1 1 96 96 LEU H H 96 7.992 7.992 7.951 0.041 18485 6734 1 11 . 1 1 97 97 LYS N N 97 118.159 118.159 118.388 -0.229 18485 6735 1 11 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.922 -0.001 18485 6736 1 11 . 1 1 97 97 LYS C C 97 178.245 178.245 178.785 -0.540 18485 6737 1 11 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.686 0.414 18485 6738 1 11 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.983 -0.055 18485 6739 1 11 . 1 1 97 97 LYS H H 97 8.254 8.254 7.713 0.541 18485 6740 1 11 . 1 1 98 98 LYS N N 98 117.677 117.677 120.335 -2.658 18485 6741 1 11 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.978 -0.041 18485 6742 1 11 . 1 1 98 98 LYS C C 98 177.471 177.471 178.758 -1.287 18485 6743 1 11 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.472 0.458 18485 6744 1 11 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.378 0.362 18485 6745 1 11 . 1 1 98 98 LYS H H 98 7.388 7.388 8.133 -0.745 18485 6746 1 11 . 1 1 99 99 MET N N 99 119.426 119.426 119.037 0.389 18485 6747 1 11 . 1 1 99 99 MET HA H 99 4.138 4.138 4.124 0.014 18485 6748 1 11 . 1 1 99 99 MET C C 99 178.018 178.018 178.443 -0.425 18485 6749 1 11 . 1 1 99 99 MET CA C 99 59.151 59.151 58.900 0.251 18485 6750 1 11 . 1 1 99 99 MET CB C 99 32.550 32.550 32.524 0.026 18485 6751 1 11 . 1 1 99 99 MET H H 99 7.934 7.934 7.806 0.128 18485 6752 1 11 . 1 1 100 100 LEU N N 100 118.006 118.006 119.020 -1.014 18485 6753 1 11 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.864 -0.073 18485 6754 1 11 . 1 1 100 100 LEU C C 100 178.592 178.592 178.887 -0.295 18485 6755 1 11 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.015 0.587 18485 6756 1 11 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.323 -0.623 18485 6757 1 11 . 1 1 100 100 LEU H H 100 8.131 8.131 7.662 0.469 18485 6758 1 11 . 1 1 101 101 ARG N N 101 118.551 118.551 118.574 -0.023 18485 6759 1 11 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.986 0.140 18485 6760 1 11 . 1 1 101 101 ARG C C 101 181.117 181.117 178.535 2.582 18485 6761 1 11 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.993 0.284 18485 6762 1 11 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.683 0.109 18485 6763 1 11 . 1 1 101 101 ARG H H 101 8.045 8.045 7.824 0.221 18485 6764 1 11 . 1 1 102 102 ASP N N 102 122.544 122.544 120.616 1.928 18485 6765 1 11 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.503 -0.098 18485 6766 1 11 . 1 1 102 102 ASP C C 102 178.405 178.405 178.158 0.247 18485 6767 1 11 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.603 0.699 18485 6768 1 11 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.960 -0.647 18485 6769 1 11 . 1 1 102 102 ASP H H 102 8.828 8.828 8.257 0.571 18485 6770 1 11 . 1 1 103 103 LYS N N 103 116.177 116.177 116.596 -0.419 18485 6771 1 11 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.422 -0.026 18485 6772 1 11 . 1 1 103 103 LYS C C 103 176.282 176.282 177.213 -0.931 18485 6773 1 11 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.075 0.249 18485 6774 1 11 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.955 -0.240 18485 6775 1 11 . 1 1 103 103 LYS H H 103 7.847 7.847 8.013 -0.166 18485 6776 1 11 . 1 1 104 104 GLY N N 104 108.597 108.597 108.085 0.512 18485 6777 1 11 . 1 1 104 104 GLY C C 104 174.450 174.450 174.948 -0.498 18485 6778 1 11 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.363 0.960 18485 6779 1 11 . 1 1 104 104 GLY H H 104 7.930 7.930 7.630 0.300 18485 6780 1 11 . 1 1 105 105 ILE N N 105 123.232 123.232 119.510 3.722 18485 6781 1 11 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.215 -0.106 18485 6782 1 11 . 1 1 105 105 ILE C C 105 175.374 175.374 176.708 -1.334 18485 6783 1 11 . 1 1 105 105 ILE CA C 105 60.643 60.643 59.095 1.548 18485 6784 1 11 . 1 1 105 105 ILE CB C 105 38.688 38.688 37.407 1.281 18485 6785 1 11 . 1 1 105 105 ILE H H 105 8.323 8.323 7.900 0.423 18485 6786 1 11 . 1 1 106 106 THR N N 106 123.522 123.522 121.106 2.416 18485 6787 1 11 . 1 1 106 106 THR HA H 106 4.155 4.155 4.220 -0.065 18485 6788 1 11 . 1 1 106 106 THR C C 106 173.223 173.223 173.756 -0.533 18485 6789 1 11 . 1 1 106 106 THR CA C 106 63.189 63.189 63.857 -0.668 18485 6790 1 11 . 1 1 106 106 THR CB C 106 69.242 69.242 68.705 0.537 18485 6791 1 11 . 1 1 106 106 THR H H 106 8.521 8.521 8.763 -0.242 18485 6792 1 11 . 1 1 107 107 CYS N N 107 120.688 120.688 122.491 -1.803 18485 6793 1 11 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.293 -0.426 18485 6794 1 11 . 1 1 107 107 CYS C C 107 173.798 173.798 173.615 0.183 18485 6795 1 11 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.343 0.209 18485 6796 1 11 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.057 -0.595 18485 6797 1 11 . 1 1 107 107 CYS H H 107 8.247 8.247 8.116 0.131 18485 6798 1 11 . 1 1 108 108 ARG N N 108 122.349 122.349 120.923 1.426 18485 6799 1 11 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.211 0.080 18485 6800 1 11 . 1 1 108 108 ARG C C 108 175.547 175.547 176.149 -0.602 18485 6801 1 11 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.765 -0.465 18485 6802 1 11 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.675 0.601 18485 6803 1 11 . 1 1 108 108 ARG H H 108 8.512 8.512 8.430 0.082 18485 6804 1 11 . 1 1 109 109 ASP N N 109 121.453 121.453 120.907 0.546 18485 6805 1 11 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.442 0.183 18485 6806 1 11 . 1 1 109 109 ASP C C 109 174.973 174.973 176.761 -1.788 18485 6807 1 11 . 1 1 109 109 ASP CA C 109 54.239 54.239 54.887 -0.648 18485 6808 1 11 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.882 0.075 18485 6809 1 11 . 1 1 109 109 ASP H H 109 8.399 8.399 8.370 0.029 18485 6810 1 12 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.512 -0.100 18485 6811 1 12 . 1 1 2 2 ALA C C 2 177.283 177.283 177.458 -0.175 18485 6812 1 12 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.846 0.438 18485 6813 1 12 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.021 -0.517 18485 6814 1 12 . 1 1 3 3 MET N N 3 121.052 121.052 120.464 0.588 18485 6815 1 12 . 1 1 3 3 MET HA H 3 4.458 4.458 4.306 0.152 18485 6816 1 12 . 1 1 3 3 MET C C 3 175.185 175.185 174.573 0.612 18485 6817 1 12 . 1 1 3 3 MET CA C 3 56.001 56.001 55.514 0.487 18485 6818 1 12 . 1 1 3 3 MET CB C 3 34.282 34.282 31.737 2.545 18485 6819 1 12 . 1 1 3 3 MET H H 3 8.313 8.313 8.087 0.226 18485 6820 1 12 . 1 1 4 4 VAL N N 4 116.976 116.976 118.273 -1.297 18485 6821 1 12 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.537 0.105 18485 6822 1 12 . 1 1 4 4 VAL C C 4 176.976 176.976 176.806 0.170 18485 6823 1 12 . 1 1 4 4 VAL CA C 4 59.752 59.752 60.416 -0.665 18485 6824 1 12 . 1 1 4 4 VAL CB C 4 34.878 34.878 33.358 1.520 18485 6825 1 12 . 1 1 4 4 VAL H H 4 8.432 8.432 8.890 -0.458 18485 6826 1 12 . 1 1 5 5 LYS N N 5 123.795 123.795 122.845 0.950 18485 6827 1 12 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.110 -0.524 18485 6828 1 12 . 1 1 5 5 LYS C C 5 178.205 178.205 178.385 -0.180 18485 6829 1 12 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.896 1.166 18485 6830 1 12 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.112 0.111 18485 6831 1 12 . 1 1 5 5 LYS H H 5 8.725 8.725 8.836 -0.111 18485 6832 1 12 . 1 1 6 6 LYS N N 6 117.559 117.559 118.812 -1.253 18485 6833 1 12 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.146 -0.072 18485 6834 1 12 . 1 1 6 6 LYS C C 6 176.976 176.976 178.471 -1.495 18485 6835 1 12 . 1 1 6 6 LYS CA C 6 59.019 59.019 58.877 0.142 18485 6836 1 12 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.909 0.750 18485 6837 1 12 . 1 1 6 6 LYS H H 6 8.395 8.395 8.466 -0.071 18485 6838 1 12 . 1 1 7 7 ASP N N 7 116.710 116.710 119.725 -3.015 18485 6839 1 12 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.479 -0.115 18485 6840 1 12 . 1 1 7 7 ASP C C 7 179.180 179.180 178.578 0.602 18485 6841 1 12 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.496 -0.086 18485 6842 1 12 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.612 0.263 18485 6843 1 12 . 1 1 7 7 ASP H H 7 7.415 7.415 7.942 -0.527 18485 6844 1 12 . 1 1 8 8 ILE N N 8 120.990 120.990 120.358 0.632 18485 6845 1 12 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.524 -0.247 18485 6846 1 12 . 1 1 8 8 ILE C C 8 177.537 177.537 177.542 -0.005 18485 6847 1 12 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.865 -0.305 18485 6848 1 12 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.417 -0.348 18485 6849 1 12 . 1 1 8 8 ILE H H 8 7.302 7.302 7.286 0.016 18485 6850 1 12 . 1 1 9 9 ASP N N 9 120.214 120.214 120.952 -0.738 18485 6851 1 12 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.385 -0.178 18485 6852 1 12 . 1 1 9 9 ASP C C 9 178.564 178.564 178.289 0.275 18485 6853 1 12 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.993 0.015 18485 6854 1 12 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.143 0.739 18485 6855 1 12 . 1 1 9 9 ASP H H 9 7.884 7.884 7.963 -0.079 18485 6856 1 12 . 1 1 10 10 ASP N N 10 117.314 117.314 118.630 -1.316 18485 6857 1 12 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.378 -0.054 18485 6858 1 12 . 1 1 10 10 ASP C C 10 179.340 179.340 178.461 0.879 18485 6859 1 12 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.344 -0.158 18485 6860 1 12 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.060 -1.147 18485 6861 1 12 . 1 1 10 10 ASP H H 10 8.856 8.856 8.323 0.533 18485 6862 1 12 . 1 1 11 11 THR N N 11 119.032 119.032 116.428 2.604 18485 6863 1 12 . 1 1 11 11 THR HA H 11 4.061 4.061 3.972 0.089 18485 6864 1 12 . 1 1 11 11 THR C C 11 175.574 175.574 176.366 -0.792 18485 6865 1 12 . 1 1 11 11 THR CA C 11 67.210 67.210 67.112 0.098 18485 6866 1 12 . 1 1 11 11 THR CB C 11 68.319 68.319 68.986 -0.667 18485 6867 1 12 . 1 1 11 11 THR H H 11 7.670 7.670 7.482 0.188 18485 6868 1 12 . 1 1 12 12 ILE N N 12 122.228 122.228 121.599 0.629 18485 6869 1 12 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.734 -0.095 18485 6870 1 12 . 1 1 12 12 ILE C C 12 177.455 177.455 177.588 -0.133 18485 6871 1 12 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.966 -0.058 18485 6872 1 12 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.688 -0.111 18485 6873 1 12 . 1 1 12 12 ILE H H 12 8.303 8.303 8.172 0.131 18485 6874 1 12 . 1 1 13 13 LYS N N 13 114.462 114.462 116.235 -1.773 18485 6875 1 12 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.237 -0.103 18485 6876 1 12 . 1 1 13 13 LYS C C 13 177.547 177.547 177.220 0.327 18485 6877 1 12 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.304 1.096 18485 6878 1 12 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.399 0.607 18485 6879 1 12 . 1 1 13 13 LYS H H 13 7.709 7.709 8.002 -0.293 18485 6880 1 12 . 1 1 14 14 SER N N 14 112.642 112.642 112.588 0.054 18485 6881 1 12 . 1 1 14 14 SER HA H 14 4.551 4.551 4.638 -0.087 18485 6882 1 12 . 1 1 14 14 SER C C 14 174.532 174.532 174.576 -0.044 18485 6883 1 12 . 1 1 14 14 SER CA C 14 59.744 59.744 59.035 0.709 18485 6884 1 12 . 1 1 14 14 SER CB C 14 65.009 65.009 65.285 -0.276 18485 6885 1 12 . 1 1 14 14 SER H H 14 7.749 7.749 7.581 0.168 18485 6886 1 12 . 1 1 15 15 GLU N N 15 121.266 121.266 120.817 0.449 18485 6887 1 12 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.348 0.216 18485 6888 1 12 . 1 1 15 15 GLU C C 15 176.789 176.789 176.365 0.424 18485 6889 1 12 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.943 -1.498 18485 6890 1 12 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.787 -0.461 18485 6891 1 12 . 1 1 15 15 GLU H H 15 8.101 8.101 8.024 0.077 18485 6892 1 12 . 1 1 16 16 ASP N N 16 122.253 122.253 120.465 1.788 18485 6893 1 12 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.746 -0.406 18485 6894 1 12 . 1 1 16 16 ASP C C 16 176.469 176.469 175.669 0.800 18485 6895 1 12 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.476 2.283 18485 6896 1 12 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.015 -1.197 18485 6897 1 12 . 1 1 16 16 ASP H H 16 8.685 8.685 8.797 -0.112 18485 6898 1 12 . 1 1 17 17 VAL N N 17 118.536 118.536 118.019 0.517 18485 6899 1 12 . 1 1 17 17 VAL HA H 17 4.915 4.915 5.032 -0.117 18485 6900 1 12 . 1 1 17 17 VAL C C 17 174.452 174.452 174.098 0.354 18485 6901 1 12 . 1 1 17 17 VAL CA C 17 61.903 61.903 60.752 1.151 18485 6902 1 12 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.240 0.137 18485 6903 1 12 . 1 1 17 17 VAL H H 17 8.547 8.547 7.866 0.681 18485 6904 1 12 . 1 1 18 18 VAL N N 18 125.917 125.917 127.376 -1.459 18485 6905 1 12 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.122 0.133 18485 6906 1 12 . 1 1 18 18 VAL C C 18 174.158 174.158 174.406 -0.248 18485 6907 1 12 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.503 -0.401 18485 6908 1 12 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.013 0.042 18485 6909 1 12 . 1 1 18 18 VAL H H 18 8.755 8.755 9.094 -0.339 18485 6910 1 12 . 1 1 19 19 THR N N 19 120.107 120.107 119.236 0.871 18485 6911 1 12 . 1 1 19 19 THR HA H 19 5.795 5.795 5.424 0.371 18485 6912 1 12 . 1 1 19 19 THR C C 19 171.126 171.126 172.984 -1.858 18485 6913 1 12 . 1 1 19 19 THR CA C 19 58.118 58.118 60.001 -1.883 18485 6914 1 12 . 1 1 19 19 THR CB C 19 72.547 72.547 71.719 0.827 18485 6915 1 12 . 1 1 19 19 THR H H 19 8.938 8.938 8.865 0.073 18485 6916 1 12 . 1 1 20 20 PHE N N 20 125.287 125.287 127.078 -1.791 18485 6917 1 12 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.527 -0.023 18485 6918 1 12 . 1 1 20 20 PHE C C 20 175.200 175.200 175.110 0.090 18485 6919 1 12 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.871 -0.373 18485 6920 1 12 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.080 0.581 18485 6921 1 12 . 1 1 20 20 PHE H H 20 8.230 8.230 9.094 -0.864 18485 6922 1 12 . 1 1 21 21 ILE N N 21 114.660 114.660 116.380 -1.720 18485 6923 1 12 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.890 -0.078 18485 6924 1 12 . 1 1 21 21 ILE C C 21 173.918 173.918 174.231 -0.313 18485 6925 1 12 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.119 0.244 18485 6926 1 12 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.690 1.131 18485 6927 1 12 . 1 1 21 21 ILE H H 21 9.042 9.042 9.369 -0.327 18485 6928 1 12 . 1 1 22 22 LYS N N 22 117.197 117.197 123.351 -6.154 18485 6929 1 12 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.631 -0.028 18485 6930 1 12 . 1 1 22 22 LYS C C 22 175.935 175.935 176.303 -0.368 18485 6931 1 12 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.991 0.707 18485 6932 1 12 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.309 1.884 18485 6933 1 12 . 1 1 22 22 LYS H H 22 8.581 8.581 8.325 0.256 18485 6934 1 12 . 1 1 23 23 GLY N N 23 117.108 117.108 107.987 9.121 18485 6935 1 12 . 1 1 23 23 GLY C C 23 170.793 170.793 172.407 -1.614 18485 6936 1 12 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.816 -0.179 18485 6937 1 12 . 1 1 23 23 GLY H H 23 9.178 9.178 7.739 1.439 18485 6938 1 12 . 1 1 24 24 LEU N N 24 117.859 117.859 121.010 -3.151 18485 6939 1 12 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.691 0.169 18485 6940 1 12 . 1 1 24 24 LEU C C 24 176.709 176.709 175.916 0.793 18485 6941 1 12 . 1 1 24 24 LEU CA C 24 51.950 51.950 52.983 -1.033 18485 6942 1 12 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.416 1.592 18485 6943 1 12 . 1 1 24 24 LEU H H 24 7.162 7.162 7.940 -0.778 18485 6944 1 12 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.510 -0.557 18485 6945 1 12 . 1 1 25 25 PRO C C 25 177.190 177.190 177.304 -0.114 18485 6946 1 12 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.750 1.572 18485 6947 1 12 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.339 -0.615 18485 6948 1 12 . 1 1 26 26 GLU N N 26 111.260 111.260 116.738 -5.478 18485 6949 1 12 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.219 -0.014 18485 6950 1 12 . 1 1 26 26 GLU C C 26 176.429 176.429 176.329 0.100 18485 6951 1 12 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.277 -0.534 18485 6952 1 12 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.418 -0.720 18485 6953 1 12 . 1 1 26 26 GLU H H 26 8.807 8.807 8.306 0.501 18485 6954 1 12 . 1 1 27 27 ALA N N 27 122.547 122.547 122.718 -0.171 18485 6955 1 12 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.565 0.022 18485 6956 1 12 . 1 1 27 27 ALA C C 27 172.342 172.342 174.933 -2.591 18485 6957 1 12 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.400 0.484 18485 6958 1 12 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.803 -0.108 18485 6959 1 12 . 1 1 27 27 ALA H H 27 7.856 7.856 7.694 0.162 18485 6960 1 12 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.591 0.051 18485 6961 1 12 . 1 1 28 28 PRO C C 28 178.512 178.512 176.325 2.187 18485 6962 1 12 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.834 0.272 18485 6963 1 12 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.563 -0.498 18485 6964 1 12 . 1 1 29 29 MET N N 29 119.426 119.426 119.622 -0.196 18485 6965 1 12 . 1 1 29 29 MET HA H 29 4.758 4.758 4.557 0.201 18485 6966 1 12 . 1 1 29 29 MET C C 29 175.374 175.374 176.486 -1.112 18485 6967 1 12 . 1 1 29 29 MET CA C 29 54.594 54.594 57.026 -2.432 18485 6968 1 12 . 1 1 29 29 MET CB C 29 33.036 33.036 33.475 -0.439 18485 6969 1 12 . 1 1 29 29 MET H H 29 8.828 8.828 8.826 0.002 18485 6970 1 12 . 1 1 30 30 CYS N N 30 116.089 116.089 118.313 -2.224 18485 6971 1 12 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.687 0.165 18485 6972 1 12 . 1 1 30 30 CYS C C 30 176.028 176.028 175.246 0.782 18485 6973 1 12 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.556 1.169 18485 6974 1 12 . 1 1 30 30 CYS CB C 30 33.259 33.259 30.755 2.505 18485 6975 1 12 . 1 1 30 30 CYS H H 30 7.455 7.455 7.739 -0.284 18485 6976 1 12 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.873 0.207 18485 6977 1 12 . 1 1 31 31 ALA C C 31 180.222 180.222 178.575 1.647 18485 6978 1 12 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.886 -0.192 18485 6979 1 12 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.462 0.219 18485 6980 1 12 . 1 1 32 32 TYR N N 32 121.972 121.972 117.614 4.358 18485 6981 1 12 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.252 0.081 18485 6982 1 12 . 1 1 32 32 TYR C C 32 178.673 178.673 177.709 0.964 18485 6983 1 12 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.220 -1.291 18485 6984 1 12 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.449 -0.412 18485 6985 1 12 . 1 1 32 32 TYR H H 32 8.846 8.846 8.310 0.536 18485 6986 1 12 . 1 1 33 33 SER N N 33 125.375 125.375 115.498 9.877 18485 6987 1 12 . 1 1 33 33 SER HA H 33 4.013 4.013 4.185 -0.172 18485 6988 1 12 . 1 1 33 33 SER C C 33 174.906 174.906 176.160 -1.254 18485 6989 1 12 . 1 1 33 33 SER CA C 33 64.417 64.417 62.436 1.981 18485 6990 1 12 . 1 1 33 33 SER CB C 33 62.687 62.687 62.481 0.206 18485 6991 1 12 . 1 1 33 33 SER H H 33 10.272 10.272 8.257 2.015 18485 6992 1 12 . 1 1 34 34 LYS N N 34 121.216 121.216 122.542 -1.326 18485 6993 1 12 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.036 -0.183 18485 6994 1 12 . 1 1 34 34 LYS C C 34 177.083 177.083 178.578 -1.495 18485 6995 1 12 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.689 0.974 18485 6996 1 12 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.345 -0.195 18485 6997 1 12 . 1 1 34 34 LYS H H 34 8.024 8.024 7.831 0.193 18485 6998 1 12 . 1 1 35 35 ARG N N 35 117.269 117.269 119.487 -2.218 18485 6999 1 12 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.067 0.082 18485 7000 1 12 . 1 1 35 35 ARG C C 35 178.058 178.058 179.017 -0.959 18485 7001 1 12 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.388 0.588 18485 7002 1 12 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.707 0.005 18485 7003 1 12 . 1 1 35 35 ARG H H 35 7.559 7.559 8.237 -0.678 18485 7004 1 12 . 1 1 36 36 MET N N 36 117.954 117.954 119.336 -1.382 18485 7005 1 12 . 1 1 36 36 MET HA H 36 4.068 4.068 4.172 -0.104 18485 7006 1 12 . 1 1 36 36 MET C C 36 176.963 176.963 177.535 -0.572 18485 7007 1 12 . 1 1 36 36 MET CA C 36 58.195 58.195 58.350 -0.155 18485 7008 1 12 . 1 1 36 36 MET CB C 36 31.742 31.742 32.341 -0.599 18485 7009 1 12 . 1 1 36 36 MET H H 36 8.027 8.027 8.375 -0.348 18485 7010 1 12 . 1 1 37 37 ILE N N 37 118.650 118.650 118.141 0.509 18485 7011 1 12 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.530 -0.010 18485 7012 1 12 . 1 1 37 37 ILE C C 37 177.631 177.631 178.294 -0.663 18485 7013 1 12 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.613 -1.740 18485 7014 1 12 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.492 -1.320 18485 7015 1 12 . 1 1 37 37 ILE H H 37 7.825 7.825 7.429 0.396 18485 7016 1 12 . 1 1 38 38 ASP N N 38 119.229 119.229 120.356 -1.127 18485 7017 1 12 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.349 -0.019 18485 7018 1 12 . 1 1 38 38 ASP C C 38 180.208 180.208 178.756 1.452 18485 7019 1 12 . 1 1 38 38 ASP CA C 38 57.530 57.530 58.048 -0.518 18485 7020 1 12 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.791 -0.821 18485 7021 1 12 . 1 1 38 38 ASP H H 38 8.629 8.629 8.202 0.427 18485 7022 1 12 . 1 1 39 39 VAL N N 39 121.475 121.475 119.698 1.777 18485 7023 1 12 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.721 -0.146 18485 7024 1 12 . 1 1 39 39 VAL C C 39 177.056 177.056 178.134 -1.078 18485 7025 1 12 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.945 0.865 18485 7026 1 12 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.466 0.029 18485 7027 1 12 . 1 1 39 39 VAL H H 39 7.879 7.879 7.352 0.527 18485 7028 1 12 . 1 1 40 40 LEU N N 40 118.145 118.145 119.532 -1.387 18485 7029 1 12 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.908 -0.134 18485 7030 1 12 . 1 1 40 40 LEU C C 40 179.794 179.794 179.013 0.781 18485 7031 1 12 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.190 -0.026 18485 7032 1 12 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.279 -0.682 18485 7033 1 12 . 1 1 40 40 LEU H H 40 7.574 7.574 7.472 0.102 18485 7034 1 12 . 1 1 41 41 GLU N N 41 116.305 116.305 118.842 -2.537 18485 7035 1 12 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.125 0.172 18485 7036 1 12 . 1 1 41 41 GLU C C 41 181.117 181.117 179.243 1.874 18485 7037 1 12 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.154 -0.602 18485 7038 1 12 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.767 -0.646 18485 7039 1 12 . 1 1 41 41 GLU H H 41 8.871 8.871 8.596 0.275 18485 7040 1 12 . 1 1 42 42 ALA N N 42 124.797 124.797 121.507 3.290 18485 7041 1 12 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.163 0.002 18485 7042 1 12 . 1 1 42 42 ALA C C 42 180.275 180.275 179.230 1.045 18485 7043 1 12 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.415 0.565 18485 7044 1 12 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.794 -1.135 18485 7045 1 12 . 1 1 42 42 ALA H H 42 8.285 8.285 8.123 0.162 18485 7046 1 12 . 1 1 43 43 LEU N N 43 115.767 115.767 115.036 0.731 18485 7047 1 12 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.373 -0.124 18485 7048 1 12 . 1 1 43 43 LEU C C 43 177.177 177.177 176.947 0.230 18485 7049 1 12 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.428 0.978 18485 7050 1 12 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.301 1.182 18485 7051 1 12 . 1 1 43 43 LEU H H 43 7.528 7.528 7.492 0.036 18485 7052 1 12 . 1 1 44 44 GLY N N 44 108.593 108.593 106.222 2.371 18485 7053 1 12 . 1 1 44 44 GLY C C 44 175.011 175.011 174.941 0.070 18485 7054 1 12 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.301 1.040 18485 7055 1 12 . 1 1 44 44 GLY H H 44 7.927 7.927 7.313 0.614 18485 7056 1 12 . 1 1 45 45 LEU N N 45 117.269 117.269 118.610 -1.341 18485 7057 1 12 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.628 -0.176 18485 7058 1 12 . 1 1 45 45 LEU C C 45 176.976 176.976 176.856 0.120 18485 7059 1 12 . 1 1 45 45 LEU CA C 45 54.400 54.400 54.462 -0.062 18485 7060 1 12 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.708 0.008 18485 7061 1 12 . 1 1 45 45 LEU H H 45 7.482 7.482 7.959 -0.477 18485 7062 1 12 . 1 1 46 46 GLU N N 46 121.177 121.177 120.727 0.450 18485 7063 1 12 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.457 0.006 18485 7064 1 12 . 1 1 46 46 GLU C C 46 176.135 176.135 174.962 1.173 18485 7065 1 12 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.253 0.271 18485 7066 1 12 . 1 1 46 46 GLU CB C 46 30.233 30.233 31.689 -1.456 18485 7067 1 12 . 1 1 46 46 GLU H H 46 8.250 8.250 8.725 -0.475 18485 7068 1 12 . 1 1 47 47 TYR N N 47 119.617 119.617 119.101 0.516 18485 7069 1 12 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.323 -0.025 18485 7070 1 12 . 1 1 47 47 TYR C C 47 173.798 173.798 174.683 -0.885 18485 7071 1 12 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.558 0.266 18485 7072 1 12 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.245 0.826 18485 7073 1 12 . 1 1 47 47 TYR H H 47 7.874 7.874 7.752 0.122 18485 7074 1 12 . 1 1 48 48 THR N N 48 117.577 117.577 117.845 -0.268 18485 7075 1 12 . 1 1 48 48 THR HA H 48 4.266 4.266 4.460 -0.194 18485 7076 1 12 . 1 1 48 48 THR C C 48 171.941 171.941 173.077 -1.136 18485 7077 1 12 . 1 1 48 48 THR CA C 48 62.299 62.299 61.685 0.614 18485 7078 1 12 . 1 1 48 48 THR CB C 48 70.899 70.899 70.774 0.125 18485 7079 1 12 . 1 1 48 48 THR H H 48 8.549 8.549 8.453 0.096 18485 7080 1 12 . 1 1 49 49 SER N N 49 121.488 121.488 120.664 0.824 18485 7081 1 12 . 1 1 49 49 SER HA H 49 5.516 5.516 5.147 0.369 18485 7082 1 12 . 1 1 49 49 SER C C 49 173.691 173.691 173.269 0.422 18485 7083 1 12 . 1 1 49 49 SER CA C 49 55.758 55.758 56.756 -0.998 18485 7084 1 12 . 1 1 49 49 SER CB C 49 66.386 66.386 64.495 1.891 18485 7085 1 12 . 1 1 49 49 SER H H 49 8.536 8.536 8.450 0.086 18485 7086 1 12 . 1 1 50 50 PHE N N 50 124.791 124.791 124.532 0.259 18485 7087 1 12 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.604 0.111 18485 7088 1 12 . 1 1 50 50 PHE C C 50 173.608 173.608 174.063 -0.455 18485 7089 1 12 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.159 0.180 18485 7090 1 12 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.464 1.065 18485 7091 1 12 . 1 1 50 50 PHE H H 50 8.627 8.627 8.963 -0.336 18485 7092 1 12 . 1 1 51 51 ASP N N 51 120.606 120.606 123.386 -2.780 18485 7093 1 12 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.505 -0.135 18485 7094 1 12 . 1 1 51 51 ASP C C 51 178.779 178.779 177.561 1.218 18485 7095 1 12 . 1 1 51 51 ASP CA C 51 52.234 52.234 51.633 0.601 18485 7096 1 12 . 1 1 51 51 ASP CB C 51 42.175 42.175 42.191 -0.016 18485 7097 1 12 . 1 1 51 51 ASP H H 51 8.415 8.415 8.801 -0.386 18485 7098 1 12 . 1 1 52 52 VAL N N 52 119.623 119.623 122.089 -2.466 18485 7099 1 12 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.156 -0.050 18485 7100 1 12 . 1 1 52 52 VAL C C 52 176.682 176.682 176.840 -0.158 18485 7101 1 12 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.371 -1.044 18485 7102 1 12 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.607 0.168 18485 7103 1 12 . 1 1 52 52 VAL H H 52 9.307 9.307 8.515 0.792 18485 7104 1 12 . 1 1 53 53 LEU N N 53 118.392 118.392 120.702 -2.310 18485 7105 1 12 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.409 -0.151 18485 7106 1 12 . 1 1 53 53 LEU C C 53 179.153 179.153 177.615 1.538 18485 7107 1 12 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.148 -0.385 18485 7108 1 12 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.117 -0.082 18485 7109 1 12 . 1 1 53 53 LEU H H 53 9.008 9.008 8.601 0.407 18485 7110 1 12 . 1 1 54 54 ALA N N 54 119.577 119.577 121.072 -1.495 18485 7111 1 12 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.366 -0.126 18485 7112 1 12 . 1 1 54 54 ALA C C 54 177.657 177.657 177.328 0.329 18485 7113 1 12 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.277 0.111 18485 7114 1 12 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.562 -0.444 18485 7115 1 12 . 1 1 54 54 ALA H H 54 7.304 7.304 7.642 -0.338 18485 7116 1 12 . 1 1 55 55 HIS N N 55 114.383 114.383 117.037 -2.654 18485 7117 1 12 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.884 0.240 18485 7118 1 12 . 1 1 55 55 HIS C C 55 174.238 174.238 173.180 1.058 18485 7119 1 12 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.490 -0.396 18485 7120 1 12 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.453 1.336 18485 7121 1 12 . 1 1 55 55 HIS H H 55 6.894 6.894 7.819 -0.925 18485 7122 1 12 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.222 0.104 18485 7123 1 12 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.496 -0.234 18485 7124 1 12 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.319 -0.278 18485 7125 1 12 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.689 0.298 18485 7126 1 12 . 1 1 57 57 VAL C C 57 177.804 177.804 178.132 -0.328 18485 7127 1 12 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.151 -0.824 18485 7128 1 12 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.828 -0.607 18485 7129 1 12 . 1 1 57 57 VAL H H 57 9.778 9.778 7.914 1.864 18485 7130 1 12 . 1 1 58 58 VAL N N 58 120.641 120.641 119.232 1.409 18485 7131 1 12 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.757 -0.225 18485 7132 1 12 . 1 1 58 58 VAL C C 58 177.270 177.270 177.428 -0.158 18485 7133 1 12 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.776 -0.866 18485 7134 1 12 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.624 -0.202 18485 7135 1 12 . 1 1 58 58 VAL H H 58 7.540 7.540 7.955 -0.415 18485 7136 1 12 . 1 1 59 59 ARG N N 59 118.263 118.263 118.248 0.015 18485 7137 1 12 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.189 -0.275 18485 7138 1 12 . 1 1 59 59 ARG C C 59 178.579 178.579 178.476 0.103 18485 7139 1 12 . 1 1 59 59 ARG CA C 59 59.979 59.979 58.986 0.993 18485 7140 1 12 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.515 0.437 18485 7141 1 12 . 1 1 59 59 ARG H H 59 7.536 7.536 7.517 0.019 18485 7142 1 12 . 1 1 60 60 SER N N 60 113.091 113.091 116.375 -3.284 18485 7143 1 12 . 1 1 60 60 SER HA H 60 4.161 4.161 4.217 -0.056 18485 7144 1 12 . 1 1 60 60 SER C C 60 175.761 175.761 175.997 -0.236 18485 7145 1 12 . 1 1 60 60 SER CA C 60 61.435 61.435 61.659 -0.224 18485 7146 1 12 . 1 1 60 60 SER CB C 60 62.721 62.721 63.326 -0.605 18485 7147 1 12 . 1 1 60 60 SER H H 60 8.204 8.204 7.881 0.323 18485 7148 1 12 . 1 1 61 61 TYR N N 61 123.436 123.436 122.887 0.549 18485 7149 1 12 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.086 -0.204 18485 7150 1 12 . 1 1 61 61 TYR C C 61 177.731 177.731 177.466 0.265 18485 7151 1 12 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.048 -0.020 18485 7152 1 12 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.445 0.710 18485 7153 1 12 . 1 1 61 61 TYR H H 61 8.024 8.024 8.019 0.005 18485 7154 1 12 . 1 1 62 62 VAL N N 62 115.253 115.253 114.205 1.048 18485 7155 1 12 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.616 -0.087 18485 7156 1 12 . 1 1 62 62 VAL C C 62 176.990 176.990 177.822 -0.832 18485 7157 1 12 . 1 1 62 62 VAL CA C 62 65.224 65.224 65.151 0.073 18485 7158 1 12 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.311 0.125 18485 7159 1 12 . 1 1 62 62 VAL H H 62 7.754 7.754 7.515 0.239 18485 7160 1 12 . 1 1 63 63 LYS N N 63 117.543 117.543 119.958 -2.415 18485 7161 1 12 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.064 -0.035 18485 7162 1 12 . 1 1 63 63 LYS C C 63 177.549 177.549 179.213 -1.664 18485 7163 1 12 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.648 -0.321 18485 7164 1 12 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.172 0.589 18485 7165 1 12 . 1 1 63 63 LYS H H 63 7.367 7.367 7.520 -0.153 18485 7166 1 12 . 1 1 64 64 GLU N N 64 116.093 116.093 117.406 -1.313 18485 7167 1 12 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.114 -0.000 18485 7168 1 12 . 1 1 64 64 GLU C C 64 177.547 177.547 178.144 -0.597 18485 7169 1 12 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.234 -0.729 18485 7170 1 12 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.284 0.093 18485 7171 1 12 . 1 1 64 64 GLU H H 64 7.701 7.701 8.047 -0.346 18485 7172 1 12 . 1 1 65 65 VAL N N 65 116.739 116.739 117.300 -0.561 18485 7173 1 12 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.929 -0.094 18485 7174 1 12 . 1 1 65 65 VAL C C 65 176.335 176.335 176.788 -0.453 18485 7175 1 12 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.572 -0.076 18485 7176 1 12 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.887 -0.644 18485 7177 1 12 . 1 1 65 65 VAL H H 65 7.608 7.608 7.817 -0.209 18485 7178 1 12 . 1 1 66 66 SER N N 66 114.353 114.353 114.152 0.201 18485 7179 1 12 . 1 1 66 66 SER HA H 66 4.230 4.230 4.192 0.038 18485 7180 1 12 . 1 1 66 66 SER C C 66 174.345 174.345 174.587 -0.242 18485 7181 1 12 . 1 1 66 66 SER CA C 66 58.038 58.038 58.878 -0.840 18485 7182 1 12 . 1 1 66 66 SER CB C 66 63.898 63.898 63.426 0.472 18485 7183 1 12 . 1 1 66 66 SER H H 66 7.526 7.526 7.773 -0.247 18485 7184 1 12 . 1 1 67 67 GLU N N 67 121.681 121.681 116.690 4.991 18485 7185 1 12 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.816 0.050 18485 7186 1 12 . 1 1 67 67 GLU C C 67 175.748 175.748 174.818 0.930 18485 7187 1 12 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.377 0.469 18485 7188 1 12 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.647 1.733 18485 7189 1 12 . 1 1 67 67 GLU H H 67 7.966 7.966 7.902 0.064 18485 7190 1 12 . 1 1 68 68 TRP N N 68 119.264 119.264 120.548 -1.284 18485 7191 1 12 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.856 0.079 18485 7192 1 12 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.417 -0.561 18485 7193 1 12 . 1 1 68 68 TRP CB C 68 30.717 30.717 31.015 -0.298 18485 7194 1 12 . 1 1 68 68 TRP H H 68 7.633 7.633 7.472 0.161 18485 7195 1 12 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.381 0.061 18485 7196 1 12 . 1 1 69 69 PRO C C 69 176.375 176.375 176.053 0.322 18485 7197 1 12 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.823 -0.256 18485 7198 1 12 . 1 1 69 69 PRO CB C 69 31.513 31.513 32.074 -0.561 18485 7199 1 12 . 1 1 70 70 THR N N 70 114.312 114.312 116.267 -1.955 18485 7200 1 12 . 1 1 70 70 THR HA H 70 4.344 4.344 4.378 -0.034 18485 7201 1 12 . 1 1 70 70 THR C C 70 172.275 172.275 173.604 -1.329 18485 7202 1 12 . 1 1 70 70 THR CA C 70 61.465 61.465 61.858 -0.392 18485 7203 1 12 . 1 1 70 70 THR CB C 70 70.433 70.433 69.978 0.455 18485 7204 1 12 . 1 1 70 70 THR H H 70 7.162 7.162 7.436 -0.274 18485 7205 1 12 . 1 1 71 71 ILE N N 71 123.770 123.770 125.305 -1.535 18485 7206 1 12 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.604 -0.102 18485 7207 1 12 . 1 1 71 71 ILE C C 71 175.106 175.106 174.226 0.880 18485 7208 1 12 . 1 1 71 71 ILE CA C 71 55.755 55.755 56.668 -0.913 18485 7209 1 12 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.216 0.861 18485 7210 1 12 . 1 1 71 71 ILE H H 71 8.398 8.398 8.407 -0.009 18485 7211 1 12 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.161 0.397 18485 7212 1 12 . 1 1 72 72 PRO C C 72 175.507 175.507 175.690 -0.183 18485 7213 1 12 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.373 0.065 18485 7214 1 12 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.211 4.445 18485 7215 1 12 . 1 1 73 73 GLN N N 73 112.013 112.013 116.923 -4.910 18485 7216 1 12 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.203 -0.111 18485 7217 1 12 . 1 1 73 73 GLN C C 73 174.559 174.559 174.036 0.523 18485 7218 1 12 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.654 0.875 18485 7219 1 12 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.310 1.130 18485 7220 1 12 . 1 1 73 73 GLN H H 73 8.521 8.521 8.653 -0.132 18485 7221 1 12 . 1 1 74 74 LEU N N 74 124.684 124.684 121.398 3.286 18485 7222 1 12 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.519 -0.187 18485 7223 1 12 . 1 1 74 74 LEU C C 74 172.761 172.761 174.710 -1.949 18485 7224 1 12 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.517 1.038 18485 7225 1 12 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.485 0.558 18485 7226 1 12 . 1 1 74 74 LEU H H 74 8.266 8.266 8.890 -0.624 18485 7227 1 12 . 1 1 75 75 PHE N N 75 126.827 126.827 122.244 4.583 18485 7228 1 12 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.314 -0.071 18485 7229 1 12 . 1 1 75 75 PHE C C 75 174.813 174.813 174.675 0.138 18485 7230 1 12 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.782 0.286 18485 7231 1 12 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.596 -0.947 18485 7232 1 12 . 1 1 75 75 PHE H H 75 9.692 9.692 9.255 0.437 18485 7233 1 12 . 1 1 76 76 ILE N N 76 118.421 118.421 122.480 -4.059 18485 7234 1 12 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.098 0.005 18485 7235 1 12 . 1 1 76 76 ILE C C 76 176.242 176.242 176.344 -0.102 18485 7236 1 12 . 1 1 76 76 ILE CA C 76 59.193 59.193 58.993 0.200 18485 7237 1 12 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.250 0.275 18485 7238 1 12 . 1 1 76 76 ILE H H 76 8.612 8.612 9.280 -0.668 18485 7239 1 12 . 1 1 77 77 LYS N N 77 129.856 129.856 126.788 3.068 18485 7240 1 12 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.918 0.274 18485 7241 1 12 . 1 1 77 77 LYS C C 77 175.887 175.887 176.350 -0.463 18485 7242 1 12 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.187 -0.586 18485 7243 1 12 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.347 1.252 18485 7244 1 12 . 1 1 77 77 LYS H H 77 10.357 10.357 9.243 1.114 18485 7245 1 12 . 1 1 78 78 ALA N N 78 114.323 114.323 117.791 -3.468 18485 7246 1 12 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.231 -0.393 18485 7247 1 12 . 1 1 78 78 ALA C C 78 175.949 175.949 176.533 -0.584 18485 7248 1 12 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.741 -0.223 18485 7249 1 12 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.293 -0.058 18485 7250 1 12 . 1 1 78 78 ALA H H 78 9.554 9.554 8.540 1.014 18485 7251 1 12 . 1 1 79 79 GLU N N 79 120.498 120.498 118.557 1.941 18485 7252 1 12 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.801 -0.037 18485 7253 1 12 . 1 1 79 79 GLU C C 79 175.200 175.200 175.121 0.079 18485 7254 1 12 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.055 0.716 18485 7255 1 12 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.747 -0.745 18485 7256 1 12 . 1 1 79 79 GLU H H 79 8.219 8.219 7.717 0.502 18485 7257 1 12 . 1 1 80 80 PHE N N 80 125.962 125.962 125.216 0.746 18485 7258 1 12 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.426 -0.034 18485 7259 1 12 . 1 1 80 80 PHE C C 80 175.280 175.280 174.541 0.739 18485 7260 1 12 . 1 1 80 80 PHE CA C 80 58.259 58.259 59.019 -0.760 18485 7261 1 12 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.923 -0.375 18485 7262 1 12 . 1 1 80 80 PHE H H 80 8.935 8.935 8.708 0.227 18485 7263 1 12 . 1 1 81 81 VAL N N 81 128.637 128.637 124.483 4.154 18485 7264 1 12 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.735 0.034 18485 7265 1 12 . 1 1 81 81 VAL C C 81 174.733 174.733 175.010 -0.277 18485 7266 1 12 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.051 0.988 18485 7267 1 12 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.355 -0.717 18485 7268 1 12 . 1 1 81 81 VAL H H 81 8.288 8.288 8.000 0.288 18485 7269 1 12 . 1 1 82 82 GLY N N 82 100.310 100.310 104.023 -3.713 18485 7270 1 12 . 1 1 82 82 GLY C C 82 172.515 172.515 172.332 0.183 18485 7271 1 12 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.178 1.042 18485 7272 1 12 . 1 1 82 82 GLY H H 82 5.816 5.816 6.599 -0.783 18485 7273 1 12 . 1 1 83 83 GLY N N 83 104.342 104.342 105.946 -1.604 18485 7274 1 12 . 1 1 83 83 GLY C C 83 173.758 173.758 174.638 -0.880 18485 7275 1 12 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.527 0.296 18485 7276 1 12 . 1 1 83 83 GLY H H 83 7.401 7.401 8.196 -0.795 18485 7277 1 12 . 1 1 84 84 LEU N N 84 118.350 118.350 121.740 -3.390 18485 7278 1 12 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.154 -0.373 18485 7279 1 12 . 1 1 84 84 LEU C C 84 178.245 178.245 178.694 -0.449 18485 7280 1 12 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.736 0.518 18485 7281 1 12 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.571 1.031 18485 7282 1 12 . 1 1 84 84 LEU H H 84 8.807 8.807 8.636 0.171 18485 7283 1 12 . 1 1 85 85 ASP N N 85 118.373 118.373 118.439 -0.066 18485 7284 1 12 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.364 -0.098 18485 7285 1 12 . 1 1 85 85 ASP C C 85 178.296 178.296 178.325 -0.029 18485 7286 1 12 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.290 0.322 18485 7287 1 12 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.672 -1.173 18485 7288 1 12 . 1 1 85 85 ASP H H 85 8.697 8.697 8.522 0.175 18485 7289 1 12 . 1 1 86 86 ILE N N 86 120.495 120.495 119.246 1.249 18485 7290 1 12 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.961 -0.115 18485 7291 1 12 . 1 1 86 86 ILE C C 86 177.657 177.657 178.134 -0.477 18485 7292 1 12 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.528 -0.670 18485 7293 1 12 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.121 0.392 18485 7294 1 12 . 1 1 86 86 ILE H H 86 7.605 7.605 7.226 0.379 18485 7295 1 12 . 1 1 87 87 VAL N N 87 120.596 120.596 117.294 3.302 18485 7296 1 12 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.755 -0.448 18485 7297 1 12 . 1 1 87 87 VAL C C 87 177.629 177.629 178.045 -0.416 18485 7298 1 12 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.504 1.207 18485 7299 1 12 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.345 1.320 18485 7300 1 12 . 1 1 87 87 VAL H H 87 7.934 7.934 8.148 -0.214 18485 7301 1 12 . 1 1 88 88 THR N N 88 112.971 112.971 113.972 -1.001 18485 7302 1 12 . 1 1 88 88 THR HA H 88 3.822 3.822 4.074 -0.252 18485 7303 1 12 . 1 1 88 88 THR C C 88 176.896 176.896 176.598 0.298 18485 7304 1 12 . 1 1 88 88 THR CA C 88 66.898 66.898 66.193 0.705 18485 7305 1 12 . 1 1 88 88 THR CB C 88 68.370 68.370 68.401 -0.031 18485 7306 1 12 . 1 1 88 88 THR H H 88 8.719 8.719 7.765 0.954 18485 7307 1 12 . 1 1 89 89 LYS N N 89 123.633 123.633 123.039 0.594 18485 7308 1 12 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.041 0.108 18485 7309 1 12 . 1 1 89 89 LYS C C 89 179.648 179.648 179.251 0.397 18485 7310 1 12 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.555 0.071 18485 7311 1 12 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.002 0.086 18485 7312 1 12 . 1 1 89 89 LYS H H 89 7.568 7.568 7.978 -0.410 18485 7313 1 12 . 1 1 90 90 MET N N 90 118.147 118.147 118.671 -0.524 18485 7314 1 12 . 1 1 90 90 MET HA H 90 4.333 4.333 4.107 0.226 18485 7315 1 12 . 1 1 90 90 MET C C 90 179.634 179.634 178.906 0.728 18485 7316 1 12 . 1 1 90 90 MET CA C 90 58.590 58.590 59.072 -0.482 18485 7317 1 12 . 1 1 90 90 MET CB C 90 34.033 34.033 32.588 1.445 18485 7318 1 12 . 1 1 90 90 MET H H 90 8.520 8.520 8.299 0.221 18485 7319 1 12 . 1 1 91 91 LEU N N 91 124.789 124.789 121.511 3.278 18485 7320 1 12 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.943 0.257 18485 7321 1 12 . 1 1 91 91 LEU C C 91 179.696 179.696 179.236 0.460 18485 7322 1 12 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.790 0.291 18485 7323 1 12 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.883 -0.022 18485 7324 1 12 . 1 1 91 91 LEU H H 91 8.792 8.792 8.108 0.684 18485 7325 1 12 . 1 1 92 92 GLU N N 92 118.965 118.965 118.487 0.478 18485 7326 1 12 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.088 -0.071 18485 7327 1 12 . 1 1 92 92 GLU C C 92 178.352 178.352 178.149 0.203 18485 7328 1 12 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.794 0.284 18485 7329 1 12 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.519 0.172 18485 7330 1 12 . 1 1 92 92 GLU H H 92 7.999 7.999 8.291 -0.292 18485 7331 1 12 . 1 1 93 93 SER N N 93 111.381 111.381 113.024 -1.643 18485 7332 1 12 . 1 1 93 93 SER HA H 93 4.406 4.406 4.375 0.031 18485 7333 1 12 . 1 1 93 93 SER C C 93 175.948 175.948 175.407 0.541 18485 7334 1 12 . 1 1 93 93 SER CA C 93 59.192 59.192 58.758 0.434 18485 7335 1 12 . 1 1 93 93 SER CB C 93 64.227 64.227 63.723 0.504 18485 7336 1 12 . 1 1 93 93 SER H H 93 8.270 8.270 7.851 0.419 18485 7337 1 12 . 1 1 94 94 GLY N N 94 109.172 109.172 109.559 -0.387 18485 7338 1 12 . 1 1 94 94 GLY C C 94 174.906 174.906 175.532 -0.626 18485 7339 1 12 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.791 -0.408 18485 7340 1 12 . 1 1 94 94 GLY H H 94 7.406 7.406 7.798 -0.392 18485 7341 1 12 . 1 1 95 95 ASP N N 95 122.640 122.640 122.185 0.455 18485 7342 1 12 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.480 -0.001 18485 7343 1 12 . 1 1 95 95 ASP C C 95 178.486 178.486 177.636 0.850 18485 7344 1 12 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.725 0.526 18485 7345 1 12 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.951 0.419 18485 7346 1 12 . 1 1 95 95 ASP H H 95 8.337 8.337 7.805 0.532 18485 7347 1 12 . 1 1 96 96 LEU N N 96 122.329 122.329 119.988 2.341 18485 7348 1 12 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.086 -0.005 18485 7349 1 12 . 1 1 96 96 LEU C C 96 177.070 177.070 178.358 -1.288 18485 7350 1 12 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.138 -0.178 18485 7351 1 12 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.520 -0.619 18485 7352 1 12 . 1 1 96 96 LEU H H 96 7.992 7.992 7.489 0.503 18485 7353 1 12 . 1 1 97 97 LYS N N 97 118.159 118.159 118.479 -0.320 18485 7354 1 12 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.880 0.041 18485 7355 1 12 . 1 1 97 97 LYS C C 97 178.245 178.245 178.817 -0.572 18485 7356 1 12 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.781 0.319 18485 7357 1 12 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.855 0.073 18485 7358 1 12 . 1 1 97 97 LYS H H 97 8.254 8.254 8.203 0.051 18485 7359 1 12 . 1 1 98 98 LYS N N 98 117.677 117.677 119.316 -1.639 18485 7360 1 12 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.041 -0.104 18485 7361 1 12 . 1 1 98 98 LYS C C 98 177.471 177.471 178.733 -1.262 18485 7362 1 12 . 1 1 98 98 LYS CA C 98 59.930 59.930 58.820 1.110 18485 7363 1 12 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.115 0.625 18485 7364 1 12 . 1 1 98 98 LYS H H 98 7.388 7.388 7.847 -0.459 18485 7365 1 12 . 1 1 99 99 MET N N 99 119.426 119.426 118.944 0.482 18485 7366 1 12 . 1 1 99 99 MET HA H 99 4.138 4.138 4.126 0.012 18485 7367 1 12 . 1 1 99 99 MET C C 99 178.018 178.018 178.399 -0.381 18485 7368 1 12 . 1 1 99 99 MET CA C 99 59.151 59.151 59.058 0.093 18485 7369 1 12 . 1 1 99 99 MET CB C 99 32.550 32.550 32.457 0.093 18485 7370 1 12 . 1 1 99 99 MET H H 99 7.934 7.934 8.218 -0.284 18485 7371 1 12 . 1 1 100 100 LEU N N 100 118.006 118.006 119.314 -1.308 18485 7372 1 12 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.854 -0.063 18485 7373 1 12 . 1 1 100 100 LEU C C 100 178.592 178.592 178.850 -0.258 18485 7374 1 12 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.206 0.396 18485 7375 1 12 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.356 -0.656 18485 7376 1 12 . 1 1 100 100 LEU H H 100 8.131 8.131 7.670 0.461 18485 7377 1 12 . 1 1 101 101 ARG N N 101 118.551 118.551 118.106 0.445 18485 7378 1 12 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.023 0.103 18485 7379 1 12 . 1 1 101 101 ARG C C 101 181.117 181.117 178.619 2.498 18485 7380 1 12 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.897 0.380 18485 7381 1 12 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.701 0.091 18485 7382 1 12 . 1 1 101 101 ARG H H 101 8.045 8.045 7.888 0.157 18485 7383 1 12 . 1 1 102 102 ASP N N 102 122.544 122.544 120.921 1.623 18485 7384 1 12 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.524 -0.119 18485 7385 1 12 . 1 1 102 102 ASP C C 102 178.405 178.405 178.160 0.245 18485 7386 1 12 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.644 0.658 18485 7387 1 12 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.978 -0.665 18485 7388 1 12 . 1 1 102 102 ASP H H 102 8.828 8.828 8.340 0.488 18485 7389 1 12 . 1 1 103 103 LYS N N 103 116.177 116.177 116.640 -0.463 18485 7390 1 12 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.423 -0.027 18485 7391 1 12 . 1 1 103 103 LYS C C 103 176.282 176.282 177.188 -0.906 18485 7392 1 12 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.151 0.173 18485 7393 1 12 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.934 -0.219 18485 7394 1 12 . 1 1 103 103 LYS H H 103 7.847 7.847 8.040 -0.193 18485 7395 1 12 . 1 1 104 104 GLY N N 104 108.597 108.597 108.144 0.453 18485 7396 1 12 . 1 1 104 104 GLY C C 104 174.450 174.450 174.957 -0.507 18485 7397 1 12 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.292 1.031 18485 7398 1 12 . 1 1 104 104 GLY H H 104 7.930 7.930 7.610 0.320 18485 7399 1 12 . 1 1 105 105 ILE N N 105 123.232 123.232 119.652 3.580 18485 7400 1 12 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.303 -0.194 18485 7401 1 12 . 1 1 105 105 ILE C C 105 175.374 175.374 176.775 -1.401 18485 7402 1 12 . 1 1 105 105 ILE CA C 105 60.643 60.643 58.869 1.774 18485 7403 1 12 . 1 1 105 105 ILE CB C 105 38.688 38.688 37.677 1.011 18485 7404 1 12 . 1 1 105 105 ILE H H 105 8.323 8.323 8.006 0.317 18485 7405 1 12 . 1 1 106 106 THR N N 106 123.522 123.522 122.107 1.415 18485 7406 1 12 . 1 1 106 106 THR HA H 106 4.155 4.155 4.253 -0.098 18485 7407 1 12 . 1 1 106 106 THR C C 106 173.223 173.223 173.864 -0.641 18485 7408 1 12 . 1 1 106 106 THR CA C 106 63.189 63.189 63.624 -0.435 18485 7409 1 12 . 1 1 106 106 THR CB C 106 69.242 69.242 68.322 0.920 18485 7410 1 12 . 1 1 106 106 THR H H 106 8.521 8.521 8.517 0.004 18485 7411 1 12 . 1 1 107 107 CYS N N 107 120.688 120.688 123.698 -3.010 18485 7412 1 12 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.407 -0.540 18485 7413 1 12 . 1 1 107 107 CYS C C 107 173.798 173.798 173.736 0.062 18485 7414 1 12 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.457 0.095 18485 7415 1 12 . 1 1 107 107 CYS CB C 107 30.462 30.462 30.971 -0.509 18485 7416 1 12 . 1 1 107 107 CYS H H 107 8.247 8.247 8.187 0.060 18485 7417 1 12 . 1 1 108 108 ARG N N 108 122.349 122.349 120.972 1.377 18485 7418 1 12 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.181 0.110 18485 7419 1 12 . 1 1 108 108 ARG C C 108 175.547 175.547 176.606 -1.059 18485 7420 1 12 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.155 0.145 18485 7421 1 12 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.229 1.047 18485 7422 1 12 . 1 1 108 108 ARG H H 108 8.512 8.512 8.492 0.020 18485 7423 1 12 . 1 1 109 109 ASP N N 109 121.453 121.453 120.057 1.396 18485 7424 1 12 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.456 0.169 18485 7425 1 12 . 1 1 109 109 ASP C C 109 174.973 174.973 176.755 -1.782 18485 7426 1 12 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.329 -1.090 18485 7427 1 12 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.268 -0.312 18485 7428 1 12 . 1 1 109 109 ASP H H 109 8.399 8.399 8.391 0.008 18485 7429 1 13 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.517 -0.105 18485 7430 1 13 . 1 1 2 2 ALA C C 2 177.283 177.283 176.701 0.582 18485 7431 1 13 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.559 0.725 18485 7432 1 13 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.482 -0.978 18485 7433 1 13 . 1 1 3 3 MET N N 3 121.052 121.052 122.927 -1.875 18485 7434 1 13 . 1 1 3 3 MET HA H 3 4.458 4.458 4.474 -0.016 18485 7435 1 13 . 1 1 3 3 MET C C 3 175.185 175.185 176.082 -0.897 18485 7436 1 13 . 1 1 3 3 MET CA C 3 56.001 56.001 55.238 0.763 18485 7437 1 13 . 1 1 3 3 MET CB C 3 34.282 34.282 33.229 1.053 18485 7438 1 13 . 1 1 3 3 MET H H 3 8.313 8.313 8.384 -0.071 18485 7439 1 13 . 1 1 4 4 VAL N N 4 116.976 116.976 120.839 -3.863 18485 7440 1 13 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.661 -0.019 18485 7441 1 13 . 1 1 4 4 VAL C C 4 176.976 176.976 176.731 0.245 18485 7442 1 13 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.595 0.157 18485 7443 1 13 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.139 0.739 18485 7444 1 13 . 1 1 4 4 VAL H H 4 8.432 8.432 8.633 -0.201 18485 7445 1 13 . 1 1 5 5 LYS N N 5 123.795 123.795 123.620 0.175 18485 7446 1 13 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.061 -0.475 18485 7447 1 13 . 1 1 5 5 LYS C C 5 178.205 178.205 178.290 -0.085 18485 7448 1 13 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.762 1.300 18485 7449 1 13 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.073 0.150 18485 7450 1 13 . 1 1 5 5 LYS H H 5 8.725 8.725 8.802 -0.077 18485 7451 1 13 . 1 1 6 6 LYS N N 6 117.559 117.559 118.671 -1.112 18485 7452 1 13 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.095 -0.021 18485 7453 1 13 . 1 1 6 6 LYS C C 6 176.976 176.976 178.404 -1.428 18485 7454 1 13 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.336 -0.317 18485 7455 1 13 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.144 0.514 18485 7456 1 13 . 1 1 6 6 LYS H H 6 8.395 8.395 8.419 -0.024 18485 7457 1 13 . 1 1 7 7 ASP N N 7 116.710 116.710 119.815 -3.105 18485 7458 1 13 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.413 -0.049 18485 7459 1 13 . 1 1 7 7 ASP C C 7 179.180 179.180 178.512 0.668 18485 7460 1 13 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.509 -0.099 18485 7461 1 13 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.343 0.532 18485 7462 1 13 . 1 1 7 7 ASP H H 7 7.415 7.415 8.083 -0.668 18485 7463 1 13 . 1 1 8 8 ILE N N 8 120.990 120.990 119.815 1.175 18485 7464 1 13 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.472 -0.195 18485 7465 1 13 . 1 1 8 8 ILE C C 8 177.537 177.537 177.617 -0.080 18485 7466 1 13 . 1 1 8 8 ILE CA C 8 64.560 64.560 65.109 -0.549 18485 7467 1 13 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.280 -0.211 18485 7468 1 13 . 1 1 8 8 ILE H H 8 7.302 7.302 7.264 0.038 18485 7469 1 13 . 1 1 9 9 ASP N N 9 120.214 120.214 120.456 -0.242 18485 7470 1 13 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.425 -0.218 18485 7471 1 13 . 1 1 9 9 ASP C C 9 178.564 178.564 178.569 -0.005 18485 7472 1 13 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.474 0.534 18485 7473 1 13 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.069 0.813 18485 7474 1 13 . 1 1 9 9 ASP H H 9 7.884 7.884 8.077 -0.193 18485 7475 1 13 . 1 1 10 10 ASP N N 10 117.314 117.314 118.247 -0.933 18485 7476 1 13 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.474 -0.150 18485 7477 1 13 . 1 1 10 10 ASP C C 10 179.340 179.340 178.348 0.992 18485 7478 1 13 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.094 0.092 18485 7479 1 13 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.996 -1.083 18485 7480 1 13 . 1 1 10 10 ASP H H 10 8.856 8.856 8.444 0.412 18485 7481 1 13 . 1 1 11 11 THR N N 11 119.032 119.032 117.062 1.970 18485 7482 1 13 . 1 1 11 11 THR HA H 11 4.061 4.061 4.096 -0.035 18485 7483 1 13 . 1 1 11 11 THR C C 11 175.574 175.574 176.437 -0.863 18485 7484 1 13 . 1 1 11 11 THR CA C 11 67.210 67.210 66.985 0.225 18485 7485 1 13 . 1 1 11 11 THR CB C 11 68.319 68.319 68.775 -0.456 18485 7486 1 13 . 1 1 11 11 THR H H 11 7.670 7.670 7.535 0.135 18485 7487 1 13 . 1 1 12 12 ILE N N 12 122.228 122.228 121.499 0.729 18485 7488 1 13 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.685 -0.046 18485 7489 1 13 . 1 1 12 12 ILE C C 12 177.455 177.455 177.483 -0.028 18485 7490 1 13 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.260 -0.351 18485 7491 1 13 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.077 0.501 18485 7492 1 13 . 1 1 12 12 ILE H H 12 8.303 8.303 8.680 -0.377 18485 7493 1 13 . 1 1 13 13 LYS N N 13 114.462 114.462 117.297 -2.835 18485 7494 1 13 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.296 -0.162 18485 7495 1 13 . 1 1 13 13 LYS C C 13 177.547 177.547 177.687 -0.140 18485 7496 1 13 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.848 0.552 18485 7497 1 13 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.719 0.287 18485 7498 1 13 . 1 1 13 13 LYS H H 13 7.709 7.709 7.502 0.207 18485 7499 1 13 . 1 1 14 14 SER N N 14 112.642 112.642 113.130 -0.488 18485 7500 1 13 . 1 1 14 14 SER HA H 14 4.551 4.551 4.506 0.045 18485 7501 1 13 . 1 1 14 14 SER C C 14 174.532 174.532 174.422 0.110 18485 7502 1 13 . 1 1 14 14 SER CA C 14 59.744 59.744 59.040 0.704 18485 7503 1 13 . 1 1 14 14 SER CB C 14 65.009 65.009 64.867 0.142 18485 7504 1 13 . 1 1 14 14 SER H H 14 7.749 7.749 7.688 0.061 18485 7505 1 13 . 1 1 15 15 GLU N N 15 121.266 121.266 121.753 -0.487 18485 7506 1 13 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.354 0.210 18485 7507 1 13 . 1 1 15 15 GLU C C 15 176.789 176.789 176.158 0.631 18485 7508 1 13 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.685 -1.240 18485 7509 1 13 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.372 -0.046 18485 7510 1 13 . 1 1 15 15 GLU H H 15 8.101 8.101 8.076 0.025 18485 7511 1 13 . 1 1 16 16 ASP N N 16 122.253 122.253 119.457 2.796 18485 7512 1 13 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.816 -0.476 18485 7513 1 13 . 1 1 16 16 ASP C C 16 176.469 176.469 175.930 0.539 18485 7514 1 13 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.098 2.661 18485 7515 1 13 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.364 -1.546 18485 7516 1 13 . 1 1 16 16 ASP H H 16 8.685 8.685 8.802 -0.117 18485 7517 1 13 . 1 1 17 17 VAL N N 17 118.536 118.536 118.035 0.501 18485 7518 1 13 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.962 -0.047 18485 7519 1 13 . 1 1 17 17 VAL C C 17 174.452 174.452 173.942 0.510 18485 7520 1 13 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.178 0.725 18485 7521 1 13 . 1 1 17 17 VAL CB C 17 34.377 34.377 35.039 -0.662 18485 7522 1 13 . 1 1 17 17 VAL H H 17 8.547 8.547 7.762 0.785 18485 7523 1 13 . 1 1 18 18 VAL N N 18 125.917 125.917 126.116 -0.199 18485 7524 1 13 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.213 0.042 18485 7525 1 13 . 1 1 18 18 VAL C C 18 174.158 174.158 174.542 -0.384 18485 7526 1 13 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.445 -0.343 18485 7527 1 13 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.021 0.034 18485 7528 1 13 . 1 1 18 18 VAL H H 18 8.755 8.755 9.050 -0.295 18485 7529 1 13 . 1 1 19 19 THR N N 19 120.107 120.107 118.107 2.000 18485 7530 1 13 . 1 1 19 19 THR HA H 19 5.795 5.795 5.358 0.437 18485 7531 1 13 . 1 1 19 19 THR C C 19 171.126 171.126 172.680 -1.554 18485 7532 1 13 . 1 1 19 19 THR CA C 19 58.118 58.118 59.700 -1.582 18485 7533 1 13 . 1 1 19 19 THR CB C 19 72.547 72.547 71.408 1.139 18485 7534 1 13 . 1 1 19 19 THR H H 19 8.938 8.938 8.467 0.471 18485 7535 1 13 . 1 1 20 20 PHE N N 20 125.287 125.287 124.211 1.076 18485 7536 1 13 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.597 -0.093 18485 7537 1 13 . 1 1 20 20 PHE C C 20 175.200 175.200 175.116 0.084 18485 7538 1 13 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.783 -0.285 18485 7539 1 13 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.107 0.554 18485 7540 1 13 . 1 1 20 20 PHE H H 20 8.230 8.230 8.554 -0.324 18485 7541 1 13 . 1 1 21 21 ILE N N 21 114.660 114.660 116.888 -2.228 18485 7542 1 13 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.908 -0.096 18485 7543 1 13 . 1 1 21 21 ILE C C 21 173.918 173.918 174.212 -0.294 18485 7544 1 13 . 1 1 21 21 ILE CA C 21 59.363 59.363 58.958 0.405 18485 7545 1 13 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.726 1.094 18485 7546 1 13 . 1 1 21 21 ILE H H 21 9.042 9.042 9.366 -0.324 18485 7547 1 13 . 1 1 22 22 LYS N N 22 117.197 117.197 122.762 -5.565 18485 7548 1 13 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.583 0.020 18485 7549 1 13 . 1 1 22 22 LYS C C 22 175.935 175.935 175.601 0.334 18485 7550 1 13 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.561 1.137 18485 7551 1 13 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.616 1.577 18485 7552 1 13 . 1 1 22 22 LYS H H 22 8.581 8.581 8.614 -0.033 18485 7553 1 13 . 1 1 23 23 GLY N N 23 117.108 117.108 107.968 9.140 18485 7554 1 13 . 1 1 23 23 GLY C C 23 170.793 170.793 172.662 -1.869 18485 7555 1 13 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.733 -0.096 18485 7556 1 13 . 1 1 23 23 GLY H H 23 9.178 9.178 7.552 1.626 18485 7557 1 13 . 1 1 24 24 LEU N N 24 117.859 117.859 121.463 -3.604 18485 7558 1 13 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.569 0.291 18485 7559 1 13 . 1 1 24 24 LEU C C 24 176.709 176.709 176.055 0.654 18485 7560 1 13 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.403 -1.453 18485 7561 1 13 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.330 1.678 18485 7562 1 13 . 1 1 24 24 LEU H H 24 7.162 7.162 8.144 -0.982 18485 7563 1 13 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.457 -0.504 18485 7564 1 13 . 1 1 25 25 PRO C C 25 177.190 177.190 177.550 -0.360 18485 7565 1 13 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.930 1.392 18485 7566 1 13 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.277 -0.553 18485 7567 1 13 . 1 1 26 26 GLU N N 26 111.260 111.260 117.505 -6.245 18485 7568 1 13 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.186 0.019 18485 7569 1 13 . 1 1 26 26 GLU C C 26 176.429 176.429 176.539 -0.110 18485 7570 1 13 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.797 -1.054 18485 7571 1 13 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.326 -0.628 18485 7572 1 13 . 1 1 26 26 GLU H H 26 8.807 8.807 8.335 0.472 18485 7573 1 13 . 1 1 27 27 ALA N N 27 122.547 122.547 123.033 -0.486 18485 7574 1 13 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.611 -0.024 18485 7575 1 13 . 1 1 27 27 ALA C C 27 172.342 172.342 174.957 -2.615 18485 7576 1 13 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.093 0.791 18485 7577 1 13 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.852 -0.157 18485 7578 1 13 . 1 1 27 27 ALA H H 27 7.856 7.856 7.714 0.142 18485 7579 1 13 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.554 0.088 18485 7580 1 13 . 1 1 28 28 PRO C C 28 178.512 178.512 176.365 2.147 18485 7581 1 13 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.750 0.356 18485 7582 1 13 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.818 -0.753 18485 7583 1 13 . 1 1 29 29 MET N N 29 119.426 119.426 120.063 -0.637 18485 7584 1 13 . 1 1 29 29 MET HA H 29 4.758 4.758 4.632 0.126 18485 7585 1 13 . 1 1 29 29 MET C C 29 175.374 175.374 175.868 -0.494 18485 7586 1 13 . 1 1 29 29 MET CA C 29 54.594 54.594 56.220 -1.626 18485 7587 1 13 . 1 1 29 29 MET CB C 29 33.036 33.036 33.167 -0.131 18485 7588 1 13 . 1 1 29 29 MET H H 29 8.828 8.828 8.835 -0.007 18485 7589 1 13 . 1 1 30 30 CYS N N 30 116.089 116.089 117.911 -1.822 18485 7590 1 13 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.676 0.176 18485 7591 1 13 . 1 1 30 30 CYS C C 30 176.028 176.028 174.189 1.839 18485 7592 1 13 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.884 0.841 18485 7593 1 13 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.432 1.827 18485 7594 1 13 . 1 1 30 30 CYS H H 30 7.455 7.455 7.542 -0.087 18485 7595 1 13 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.100 -0.020 18485 7596 1 13 . 1 1 31 31 ALA C C 31 180.222 180.222 178.355 1.867 18485 7597 1 13 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.677 0.017 18485 7598 1 13 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.674 0.007 18485 7599 1 13 . 1 1 32 32 TYR N N 32 121.972 121.972 116.980 4.992 18485 7600 1 13 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.238 0.095 18485 7601 1 13 . 1 1 32 32 TYR C C 32 178.673 178.673 178.163 0.510 18485 7602 1 13 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.105 -1.176 18485 7603 1 13 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.572 -0.535 18485 7604 1 13 . 1 1 32 32 TYR H H 32 8.846 8.846 8.674 0.172 18485 7605 1 13 . 1 1 33 33 SER N N 33 125.375 125.375 115.242 10.133 18485 7606 1 13 . 1 1 33 33 SER HA H 33 4.013 4.013 4.212 -0.199 18485 7607 1 13 . 1 1 33 33 SER C C 33 174.906 174.906 176.187 -1.281 18485 7608 1 13 . 1 1 33 33 SER CA C 33 64.417 64.417 62.238 2.179 18485 7609 1 13 . 1 1 33 33 SER CB C 33 62.687 62.687 62.537 0.150 18485 7610 1 13 . 1 1 33 33 SER H H 33 10.272 10.272 7.810 2.462 18485 7611 1 13 . 1 1 34 34 LYS N N 34 121.216 121.216 123.186 -1.970 18485 7612 1 13 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.936 -0.083 18485 7613 1 13 . 1 1 34 34 LYS C C 34 177.083 177.083 178.726 -1.643 18485 7614 1 13 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.624 0.039 18485 7615 1 13 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.463 -0.313 18485 7616 1 13 . 1 1 34 34 LYS H H 34 8.024 8.024 7.970 0.054 18485 7617 1 13 . 1 1 35 35 ARG N N 35 117.269 117.269 118.770 -1.501 18485 7618 1 13 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.117 0.032 18485 7619 1 13 . 1 1 35 35 ARG C C 35 178.058 178.058 178.806 -0.748 18485 7620 1 13 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.218 0.758 18485 7621 1 13 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.896 -0.184 18485 7622 1 13 . 1 1 35 35 ARG H H 35 7.559 7.559 8.214 -0.655 18485 7623 1 13 . 1 1 36 36 MET N N 36 117.954 117.954 120.015 -2.061 18485 7624 1 13 . 1 1 36 36 MET HA H 36 4.068 4.068 4.116 -0.048 18485 7625 1 13 . 1 1 36 36 MET C C 36 176.963 176.963 177.527 -0.564 18485 7626 1 13 . 1 1 36 36 MET CA C 36 58.195 58.195 59.510 -1.315 18485 7627 1 13 . 1 1 36 36 MET CB C 36 31.742 31.742 32.735 -0.993 18485 7628 1 13 . 1 1 36 36 MET H H 36 8.027 8.027 8.054 -0.027 18485 7629 1 13 . 1 1 37 37 ILE N N 37 118.650 118.650 118.975 -0.325 18485 7630 1 13 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.518 0.002 18485 7631 1 13 . 1 1 37 37 ILE C C 37 177.631 177.631 177.924 -0.293 18485 7632 1 13 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.249 -1.376 18485 7633 1 13 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.332 -1.160 18485 7634 1 13 . 1 1 37 37 ILE H H 37 7.825 7.825 7.521 0.304 18485 7635 1 13 . 1 1 38 38 ASP N N 38 119.229 119.229 120.889 -1.660 18485 7636 1 13 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.371 -0.041 18485 7637 1 13 . 1 1 38 38 ASP C C 38 180.208 180.208 178.873 1.335 18485 7638 1 13 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.904 -0.374 18485 7639 1 13 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.791 -0.821 18485 7640 1 13 . 1 1 38 38 ASP H H 38 8.629 8.629 8.117 0.512 18485 7641 1 13 . 1 1 39 39 VAL N N 39 121.475 121.475 119.884 1.591 18485 7642 1 13 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.609 -0.034 18485 7643 1 13 . 1 1 39 39 VAL C C 39 177.056 177.056 178.024 -0.968 18485 7644 1 13 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.185 0.625 18485 7645 1 13 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.814 -0.318 18485 7646 1 13 . 1 1 39 39 VAL H H 39 7.879 7.879 7.357 0.522 18485 7647 1 13 . 1 1 40 40 LEU N N 40 118.145 118.145 119.062 -0.917 18485 7648 1 13 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.962 -0.188 18485 7649 1 13 . 1 1 40 40 LEU C C 40 179.794 179.794 178.958 0.836 18485 7650 1 13 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.841 0.323 18485 7651 1 13 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.294 -0.697 18485 7652 1 13 . 1 1 40 40 LEU H H 40 7.574 7.574 7.295 0.279 18485 7653 1 13 . 1 1 41 41 GLU N N 41 116.305 116.305 119.186 -2.881 18485 7654 1 13 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.179 0.118 18485 7655 1 13 . 1 1 41 41 GLU C C 41 181.117 181.117 179.262 1.855 18485 7656 1 13 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.988 -0.436 18485 7657 1 13 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.680 -0.559 18485 7658 1 13 . 1 1 41 41 GLU H H 41 8.871 8.871 8.566 0.305 18485 7659 1 13 . 1 1 42 42 ALA N N 42 124.797 124.797 121.357 3.440 18485 7660 1 13 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.165 -0.000 18485 7661 1 13 . 1 1 42 42 ALA C C 42 180.275 180.275 178.908 1.367 18485 7662 1 13 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.533 0.447 18485 7663 1 13 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.657 -0.998 18485 7664 1 13 . 1 1 42 42 ALA H H 42 8.285 8.285 8.392 -0.107 18485 7665 1 13 . 1 1 43 43 LEU N N 43 115.767 115.767 115.207 0.560 18485 7666 1 13 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.414 -0.165 18485 7667 1 13 . 1 1 43 43 LEU C C 43 177.177 177.177 176.689 0.488 18485 7668 1 13 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.222 1.184 18485 7669 1 13 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.214 1.269 18485 7670 1 13 . 1 1 43 43 LEU H H 43 7.528 7.528 7.573 -0.045 18485 7671 1 13 . 1 1 44 44 GLY N N 44 108.593 108.593 107.277 1.316 18485 7672 1 13 . 1 1 44 44 GLY C C 44 175.011 175.011 174.554 0.457 18485 7673 1 13 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.249 1.092 18485 7674 1 13 . 1 1 44 44 GLY H H 44 7.927 7.927 7.365 0.562 18485 7675 1 13 . 1 1 45 45 LEU N N 45 117.269 117.269 118.053 -0.784 18485 7676 1 13 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.948 -0.496 18485 7677 1 13 . 1 1 45 45 LEU C C 45 176.976 176.976 176.912 0.064 18485 7678 1 13 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.418 0.982 18485 7679 1 13 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.144 -0.428 18485 7680 1 13 . 1 1 45 45 LEU H H 45 7.482 7.482 7.963 -0.481 18485 7681 1 13 . 1 1 46 46 GLU N N 46 121.177 121.177 122.150 -0.973 18485 7682 1 13 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.320 0.143 18485 7683 1 13 . 1 1 46 46 GLU C C 46 176.135 176.135 175.287 0.848 18485 7684 1 13 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.737 -0.213 18485 7685 1 13 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.099 0.134 18485 7686 1 13 . 1 1 46 46 GLU H H 46 8.250 8.250 8.753 -0.503 18485 7687 1 13 . 1 1 47 47 TYR N N 47 119.617 119.617 120.721 -1.104 18485 7688 1 13 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.391 -0.093 18485 7689 1 13 . 1 1 47 47 TYR C C 47 173.798 173.798 175.088 -1.290 18485 7690 1 13 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.227 0.597 18485 7691 1 13 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.501 0.570 18485 7692 1 13 . 1 1 47 47 TYR H H 47 7.874 7.874 7.805 0.069 18485 7693 1 13 . 1 1 48 48 THR N N 48 117.577 117.577 116.960 0.617 18485 7694 1 13 . 1 1 48 48 THR HA H 48 4.266 4.266 4.493 -0.227 18485 7695 1 13 . 1 1 48 48 THR C C 48 171.941 171.941 173.083 -1.142 18485 7696 1 13 . 1 1 48 48 THR CA C 48 62.299 62.299 61.714 0.585 18485 7697 1 13 . 1 1 48 48 THR CB C 48 70.899 70.899 71.265 -0.366 18485 7698 1 13 . 1 1 48 48 THR H H 48 8.549 8.549 8.299 0.250 18485 7699 1 13 . 1 1 49 49 SER N N 49 121.488 121.488 121.067 0.421 18485 7700 1 13 . 1 1 49 49 SER HA H 49 5.516 5.516 4.957 0.559 18485 7701 1 13 . 1 1 49 49 SER C C 49 173.691 173.691 173.315 0.376 18485 7702 1 13 . 1 1 49 49 SER CA C 49 55.758 55.758 57.102 -1.344 18485 7703 1 13 . 1 1 49 49 SER CB C 49 66.386 66.386 64.376 2.010 18485 7704 1 13 . 1 1 49 49 SER H H 49 8.536 8.536 8.462 0.074 18485 7705 1 13 . 1 1 50 50 PHE N N 50 124.791 124.791 124.065 0.726 18485 7706 1 13 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.635 0.080 18485 7707 1 13 . 1 1 50 50 PHE C C 50 173.608 173.608 174.092 -0.484 18485 7708 1 13 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.865 0.474 18485 7709 1 13 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.182 1.347 18485 7710 1 13 . 1 1 50 50 PHE H H 50 8.627 8.627 8.943 -0.316 18485 7711 1 13 . 1 1 51 51 ASP N N 51 120.606 120.606 123.826 -3.220 18485 7712 1 13 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.387 -0.017 18485 7713 1 13 . 1 1 51 51 ASP C C 51 178.779 178.779 177.881 0.898 18485 7714 1 13 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.094 0.140 18485 7715 1 13 . 1 1 51 51 ASP CB C 51 42.175 42.175 40.943 1.232 18485 7716 1 13 . 1 1 51 51 ASP H H 51 8.415 8.415 8.727 -0.312 18485 7717 1 13 . 1 1 52 52 VAL N N 52 119.623 119.623 119.370 0.253 18485 7718 1 13 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.118 -0.012 18485 7719 1 13 . 1 1 52 52 VAL C C 52 176.682 176.682 176.202 0.480 18485 7720 1 13 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.091 -0.764 18485 7721 1 13 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.862 -0.088 18485 7722 1 13 . 1 1 52 52 VAL H H 52 9.307 9.307 8.326 0.981 18485 7723 1 13 . 1 1 53 53 LEU N N 53 118.392 118.392 117.801 0.591 18485 7724 1 13 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.389 -0.131 18485 7725 1 13 . 1 1 53 53 LEU C C 53 179.153 179.153 177.448 1.705 18485 7726 1 13 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.655 0.108 18485 7727 1 13 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.565 -0.530 18485 7728 1 13 . 1 1 53 53 LEU H H 53 9.008 9.008 8.056 0.952 18485 7729 1 13 . 1 1 54 54 ALA N N 54 119.577 119.577 119.425 0.152 18485 7730 1 13 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.489 -0.249 18485 7731 1 13 . 1 1 54 54 ALA C C 54 177.657 177.657 176.846 0.811 18485 7732 1 13 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.032 1.356 18485 7733 1 13 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.565 -0.446 18485 7734 1 13 . 1 1 54 54 ALA H H 54 7.304 7.304 7.405 -0.101 18485 7735 1 13 . 1 1 55 55 HIS N N 55 114.383 114.383 117.817 -3.434 18485 7736 1 13 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.902 0.222 18485 7737 1 13 . 1 1 55 55 HIS C C 55 174.238 174.238 173.373 0.865 18485 7738 1 13 . 1 1 55 55 HIS CA C 55 54.094 54.094 55.400 -1.306 18485 7739 1 13 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.221 1.568 18485 7740 1 13 . 1 1 55 55 HIS H H 55 6.894 6.894 7.916 -1.022 18485 7741 1 13 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.300 0.026 18485 7742 1 13 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.340 -0.078 18485 7743 1 13 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.445 -0.404 18485 7744 1 13 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.668 0.319 18485 7745 1 13 . 1 1 57 57 VAL C C 57 177.804 177.804 178.080 -0.276 18485 7746 1 13 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.282 -0.955 18485 7747 1 13 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.809 -0.588 18485 7748 1 13 . 1 1 57 57 VAL H H 57 9.778 9.778 7.938 1.840 18485 7749 1 13 . 1 1 58 58 VAL N N 58 120.641 120.641 118.556 2.085 18485 7750 1 13 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.744 -0.212 18485 7751 1 13 . 1 1 58 58 VAL C C 58 177.270 177.270 177.334 -0.064 18485 7752 1 13 . 1 1 58 58 VAL CA C 58 65.910 65.910 67.095 -1.185 18485 7753 1 13 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.667 -0.245 18485 7754 1 13 . 1 1 58 58 VAL H H 58 7.540 7.540 7.923 -0.383 18485 7755 1 13 . 1 1 59 59 ARG N N 59 118.263 118.263 119.129 -0.866 18485 7756 1 13 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.123 -0.209 18485 7757 1 13 . 1 1 59 59 ARG C C 59 178.579 178.579 178.575 0.004 18485 7758 1 13 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.170 0.809 18485 7759 1 13 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.713 0.239 18485 7760 1 13 . 1 1 59 59 ARG H H 59 7.536 7.536 7.517 0.019 18485 7761 1 13 . 1 1 60 60 SER N N 60 113.091 113.091 115.890 -2.799 18485 7762 1 13 . 1 1 60 60 SER HA H 60 4.161 4.161 4.198 -0.037 18485 7763 1 13 . 1 1 60 60 SER C C 60 175.761 175.761 176.063 -0.302 18485 7764 1 13 . 1 1 60 60 SER CA C 60 61.435 61.435 61.206 0.229 18485 7765 1 13 . 1 1 60 60 SER CB C 60 62.721 62.721 63.037 -0.316 18485 7766 1 13 . 1 1 60 60 SER H H 60 8.204 8.204 8.442 -0.238 18485 7767 1 13 . 1 1 61 61 TYR N N 61 123.436 123.436 122.787 0.649 18485 7768 1 13 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.096 -0.214 18485 7769 1 13 . 1 1 61 61 TYR C C 61 177.731 177.731 177.037 0.694 18485 7770 1 13 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.897 0.131 18485 7771 1 13 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.462 0.693 18485 7772 1 13 . 1 1 61 61 TYR H H 61 8.024 8.024 7.963 0.061 18485 7773 1 13 . 1 1 62 62 VAL N N 62 115.253 115.253 114.537 0.716 18485 7774 1 13 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.713 -0.184 18485 7775 1 13 . 1 1 62 62 VAL C C 62 176.990 176.990 177.728 -0.738 18485 7776 1 13 . 1 1 62 62 VAL CA C 62 65.224 65.224 64.812 0.412 18485 7777 1 13 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.742 0.694 18485 7778 1 13 . 1 1 62 62 VAL H H 62 7.754 7.754 7.398 0.356 18485 7779 1 13 . 1 1 63 63 LYS N N 63 117.543 117.543 120.679 -3.136 18485 7780 1 13 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.054 -0.025 18485 7781 1 13 . 1 1 63 63 LYS C C 63 177.549 177.549 178.835 -1.286 18485 7782 1 13 . 1 1 63 63 LYS CA C 63 58.327 58.327 59.230 -0.903 18485 7783 1 13 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.277 0.484 18485 7784 1 13 . 1 1 63 63 LYS H H 63 7.367 7.367 7.248 0.119 18485 7785 1 13 . 1 1 64 64 GLU N N 64 116.093 116.093 116.223 -0.130 18485 7786 1 13 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.265 -0.151 18485 7787 1 13 . 1 1 64 64 GLU C C 64 177.547 177.547 178.219 -0.672 18485 7788 1 13 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.203 -0.698 18485 7789 1 13 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.830 -0.453 18485 7790 1 13 . 1 1 64 64 GLU H H 64 7.701 7.701 7.932 -0.231 18485 7791 1 13 . 1 1 65 65 VAL N N 65 116.739 116.739 117.694 -0.955 18485 7792 1 13 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.914 -0.079 18485 7793 1 13 . 1 1 65 65 VAL C C 65 176.335 176.335 176.567 -0.232 18485 7794 1 13 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.696 -0.200 18485 7795 1 13 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.374 -0.131 18485 7796 1 13 . 1 1 65 65 VAL H H 65 7.608 7.608 7.985 -0.377 18485 7797 1 13 . 1 1 66 66 SER N N 66 114.353 114.353 113.577 0.776 18485 7798 1 13 . 1 1 66 66 SER HA H 66 4.230 4.230 4.347 -0.117 18485 7799 1 13 . 1 1 66 66 SER C C 66 174.345 174.345 175.055 -0.710 18485 7800 1 13 . 1 1 66 66 SER CA C 66 58.038 58.038 58.353 -0.315 18485 7801 1 13 . 1 1 66 66 SER CB C 66 63.898 63.898 64.416 -0.518 18485 7802 1 13 . 1 1 66 66 SER H H 66 7.526 7.526 7.724 -0.198 18485 7803 1 13 . 1 1 67 67 GLU N N 67 121.681 121.681 116.390 5.291 18485 7804 1 13 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.966 -0.101 18485 7805 1 13 . 1 1 67 67 GLU C C 67 175.748 175.748 175.113 0.635 18485 7806 1 13 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.176 0.669 18485 7807 1 13 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.539 1.841 18485 7808 1 13 . 1 1 67 67 GLU H H 67 7.966 7.966 8.140 -0.174 18485 7809 1 13 . 1 1 68 68 TRP N N 68 119.264 119.264 121.360 -2.096 18485 7810 1 13 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.796 0.139 18485 7811 1 13 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.775 -0.919 18485 7812 1 13 . 1 1 68 68 TRP CB C 68 30.717 30.717 30.470 0.247 18485 7813 1 13 . 1 1 68 68 TRP H H 68 7.633 7.633 7.260 0.373 18485 7814 1 13 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.330 0.112 18485 7815 1 13 . 1 1 69 69 PRO C C 69 176.375 176.375 176.322 0.053 18485 7816 1 13 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.961 -0.394 18485 7817 1 13 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.811 -0.298 18485 7818 1 13 . 1 1 70 70 THR N N 70 114.312 114.312 115.858 -1.546 18485 7819 1 13 . 1 1 70 70 THR HA H 70 4.344 4.344 4.331 0.013 18485 7820 1 13 . 1 1 70 70 THR C C 70 172.275 172.275 174.076 -1.801 18485 7821 1 13 . 1 1 70 70 THR CA C 70 61.465 61.465 63.121 -1.656 18485 7822 1 13 . 1 1 70 70 THR CB C 70 70.433 70.433 69.997 0.436 18485 7823 1 13 . 1 1 70 70 THR H H 70 7.162 7.162 7.554 -0.392 18485 7824 1 13 . 1 1 71 71 ILE N N 71 123.770 123.770 124.731 -0.961 18485 7825 1 13 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.518 -0.016 18485 7826 1 13 . 1 1 71 71 ILE C C 71 175.106 175.106 175.167 -0.061 18485 7827 1 13 . 1 1 71 71 ILE CA C 71 55.755 55.755 56.823 -1.068 18485 7828 1 13 . 1 1 71 71 ILE CB C 71 40.077 40.077 37.907 2.170 18485 7829 1 13 . 1 1 71 71 ILE H H 71 8.398 8.398 8.316 0.082 18485 7830 1 13 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.010 0.548 18485 7831 1 13 . 1 1 72 72 PRO C C 72 175.507 175.507 175.731 -0.224 18485 7832 1 13 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.575 -0.137 18485 7833 1 13 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.012 4.644 18485 7834 1 13 . 1 1 73 73 GLN N N 73 112.013 112.013 115.930 -3.917 18485 7835 1 13 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.260 -0.168 18485 7836 1 13 . 1 1 73 73 GLN C C 73 174.559 174.559 174.217 0.342 18485 7837 1 13 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.443 1.086 18485 7838 1 13 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.300 1.140 18485 7839 1 13 . 1 1 73 73 GLN H H 73 8.521 8.521 8.427 0.094 18485 7840 1 13 . 1 1 74 74 LEU N N 74 124.684 124.684 121.159 3.525 18485 7841 1 13 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.368 -0.036 18485 7842 1 13 . 1 1 74 74 LEU C C 74 172.761 172.761 174.591 -1.830 18485 7843 1 13 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.572 0.983 18485 7844 1 13 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.330 0.713 18485 7845 1 13 . 1 1 74 74 LEU H H 74 8.266 8.266 8.849 -0.583 18485 7846 1 13 . 1 1 75 75 PHE N N 75 126.827 126.827 123.072 3.755 18485 7847 1 13 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.409 -0.166 18485 7848 1 13 . 1 1 75 75 PHE C C 75 174.813 174.813 174.693 0.120 18485 7849 1 13 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.640 0.428 18485 7850 1 13 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.504 -0.855 18485 7851 1 13 . 1 1 75 75 PHE H H 75 9.692 9.692 9.222 0.470 18485 7852 1 13 . 1 1 76 76 ILE N N 76 118.421 118.421 122.287 -3.866 18485 7853 1 13 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.955 0.148 18485 7854 1 13 . 1 1 76 76 ILE C C 76 176.242 176.242 176.413 -0.171 18485 7855 1 13 . 1 1 76 76 ILE CA C 76 59.193 59.193 58.867 0.326 18485 7856 1 13 . 1 1 76 76 ILE CB C 76 40.525 40.525 39.851 0.674 18485 7857 1 13 . 1 1 76 76 ILE H H 76 8.612 8.612 9.270 -0.658 18485 7858 1 13 . 1 1 77 77 LYS N N 77 129.856 129.856 126.744 3.112 18485 7859 1 13 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.904 0.288 18485 7860 1 13 . 1 1 77 77 LYS C C 77 175.887 175.887 176.183 -0.296 18485 7861 1 13 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.503 -0.902 18485 7862 1 13 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.290 1.309 18485 7863 1 13 . 1 1 77 77 LYS H H 77 10.357 10.357 9.207 1.150 18485 7864 1 13 . 1 1 78 78 ALA N N 78 114.323 114.323 118.253 -3.930 18485 7865 1 13 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.220 -0.382 18485 7866 1 13 . 1 1 78 78 ALA C C 78 175.949 175.949 176.454 -0.505 18485 7867 1 13 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.504 0.014 18485 7868 1 13 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.093 0.142 18485 7869 1 13 . 1 1 78 78 ALA H H 78 9.554 9.554 8.302 1.252 18485 7870 1 13 . 1 1 79 79 GLU N N 79 120.498 120.498 118.292 2.206 18485 7871 1 13 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.785 -0.021 18485 7872 1 13 . 1 1 79 79 GLU C C 79 175.200 175.200 174.674 0.526 18485 7873 1 13 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.410 0.361 18485 7874 1 13 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.103 -1.101 18485 7875 1 13 . 1 1 79 79 GLU H H 79 8.219 8.219 7.739 0.480 18485 7876 1 13 . 1 1 80 80 PHE N N 80 125.962 125.962 125.416 0.546 18485 7877 1 13 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.555 -0.163 18485 7878 1 13 . 1 1 80 80 PHE C C 80 175.280 175.280 174.490 0.790 18485 7879 1 13 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.347 -0.088 18485 7880 1 13 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.124 -0.576 18485 7881 1 13 . 1 1 80 80 PHE H H 80 8.935 8.935 8.765 0.170 18485 7882 1 13 . 1 1 81 81 VAL N N 81 128.637 128.637 123.682 4.955 18485 7883 1 13 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.912 -0.143 18485 7884 1 13 . 1 1 81 81 VAL C C 81 174.733 174.733 174.419 0.314 18485 7885 1 13 . 1 1 81 81 VAL CA C 81 63.039 63.039 61.987 1.052 18485 7886 1 13 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.703 -1.065 18485 7887 1 13 . 1 1 81 81 VAL H H 81 8.288 8.288 7.590 0.698 18485 7888 1 13 . 1 1 82 82 GLY N N 82 100.310 100.310 105.040 -4.730 18485 7889 1 13 . 1 1 82 82 GLY C C 82 172.515 172.515 172.302 0.213 18485 7890 1 13 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.660 0.560 18485 7891 1 13 . 1 1 82 82 GLY H H 82 5.816 5.816 6.522 -0.706 18485 7892 1 13 . 1 1 83 83 GLY N N 83 104.342 104.342 106.741 -2.399 18485 7893 1 13 . 1 1 83 83 GLY C C 83 173.758 173.758 174.920 -1.162 18485 7894 1 13 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.790 0.033 18485 7895 1 13 . 1 1 83 83 GLY H H 83 7.401 7.401 8.369 -0.968 18485 7896 1 13 . 1 1 84 84 LEU N N 84 118.350 118.350 121.915 -3.565 18485 7897 1 13 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.164 -0.383 18485 7898 1 13 . 1 1 84 84 LEU C C 84 178.245 178.245 178.676 -0.431 18485 7899 1 13 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.921 0.333 18485 7900 1 13 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.610 0.992 18485 7901 1 13 . 1 1 84 84 LEU H H 84 8.807 8.807 8.283 0.524 18485 7902 1 13 . 1 1 85 85 ASP N N 85 118.373 118.373 118.123 0.250 18485 7903 1 13 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.424 -0.158 18485 7904 1 13 . 1 1 85 85 ASP C C 85 178.296 178.296 178.294 0.002 18485 7905 1 13 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.189 0.423 18485 7906 1 13 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.429 -0.930 18485 7907 1 13 . 1 1 85 85 ASP H H 85 8.697 8.697 8.721 -0.024 18485 7908 1 13 . 1 1 86 86 ILE N N 86 120.495 120.495 118.578 1.917 18485 7909 1 13 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.953 -0.107 18485 7910 1 13 . 1 1 86 86 ILE C C 86 177.657 177.657 178.206 -0.549 18485 7911 1 13 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.681 -0.823 18485 7912 1 13 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.096 0.417 18485 7913 1 13 . 1 1 86 86 ILE H H 86 7.605 7.605 7.606 -0.001 18485 7914 1 13 . 1 1 87 87 VAL N N 87 120.596 120.596 116.597 3.999 18485 7915 1 13 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.751 -0.444 18485 7916 1 13 . 1 1 87 87 VAL C C 87 177.629 177.629 177.643 -0.014 18485 7917 1 13 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.414 1.297 18485 7918 1 13 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.889 0.777 18485 7919 1 13 . 1 1 87 87 VAL H H 87 7.934 7.934 8.164 -0.230 18485 7920 1 13 . 1 1 88 88 THR N N 88 112.971 112.971 112.859 0.112 18485 7921 1 13 . 1 1 88 88 THR HA H 88 3.822 3.822 4.001 -0.179 18485 7922 1 13 . 1 1 88 88 THR C C 88 176.896 176.896 176.654 0.242 18485 7923 1 13 . 1 1 88 88 THR CA C 88 66.898 66.898 66.077 0.821 18485 7924 1 13 . 1 1 88 88 THR CB C 88 68.370 68.370 68.662 -0.292 18485 7925 1 13 . 1 1 88 88 THR H H 88 8.719 8.719 7.868 0.851 18485 7926 1 13 . 1 1 89 89 LYS N N 89 123.633 123.633 122.296 1.337 18485 7927 1 13 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.049 0.100 18485 7928 1 13 . 1 1 89 89 LYS C C 89 179.648 179.648 179.000 0.648 18485 7929 1 13 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.401 0.225 18485 7930 1 13 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.062 0.026 18485 7931 1 13 . 1 1 89 89 LYS H H 89 7.568 7.568 8.227 -0.659 18485 7932 1 13 . 1 1 90 90 MET N N 90 118.147 118.147 118.815 -0.668 18485 7933 1 13 . 1 1 90 90 MET HA H 90 4.333 4.333 4.121 0.212 18485 7934 1 13 . 1 1 90 90 MET C C 90 179.634 179.634 178.763 0.871 18485 7935 1 13 . 1 1 90 90 MET CA C 90 58.590 58.590 59.318 -0.728 18485 7936 1 13 . 1 1 90 90 MET CB C 90 34.033 34.033 32.536 1.497 18485 7937 1 13 . 1 1 90 90 MET H H 90 8.520 8.520 8.412 0.108 18485 7938 1 13 . 1 1 91 91 LEU N N 91 124.789 124.789 121.945 2.844 18485 7939 1 13 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.965 0.235 18485 7940 1 13 . 1 1 91 91 LEU C C 91 179.696 179.696 179.181 0.515 18485 7941 1 13 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.932 0.149 18485 7942 1 13 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.787 0.074 18485 7943 1 13 . 1 1 91 91 LEU H H 91 8.792 8.792 8.130 0.662 18485 7944 1 13 . 1 1 92 92 GLU N N 92 118.965 118.965 119.229 -0.264 18485 7945 1 13 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.034 -0.017 18485 7946 1 13 . 1 1 92 92 GLU C C 92 178.352 178.352 178.273 0.079 18485 7947 1 13 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.096 -0.018 18485 7948 1 13 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.494 0.197 18485 7949 1 13 . 1 1 92 92 GLU H H 92 7.999 7.999 8.491 -0.492 18485 7950 1 13 . 1 1 93 93 SER N N 93 111.381 111.381 112.176 -0.795 18485 7951 1 13 . 1 1 93 93 SER HA H 93 4.406 4.406 4.450 -0.044 18485 7952 1 13 . 1 1 93 93 SER C C 93 175.948 175.948 175.346 0.602 18485 7953 1 13 . 1 1 93 93 SER CA C 93 59.192 59.192 58.522 0.670 18485 7954 1 13 . 1 1 93 93 SER CB C 93 64.227 64.227 63.959 0.268 18485 7955 1 13 . 1 1 93 93 SER H H 93 8.270 8.270 7.902 0.368 18485 7956 1 13 . 1 1 94 94 GLY N N 94 109.172 109.172 110.603 -1.431 18485 7957 1 13 . 1 1 94 94 GLY C C 94 174.906 174.906 175.908 -1.002 18485 7958 1 13 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.311 -0.928 18485 7959 1 13 . 1 1 94 94 GLY H H 94 7.406 7.406 8.166 -0.760 18485 7960 1 13 . 1 1 95 95 ASP N N 95 122.640 122.640 122.496 0.144 18485 7961 1 13 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.398 0.081 18485 7962 1 13 . 1 1 95 95 ASP C C 95 178.486 178.486 178.094 0.392 18485 7963 1 13 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.087 0.164 18485 7964 1 13 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.587 0.783 18485 7965 1 13 . 1 1 95 95 ASP H H 95 8.337 8.337 7.869 0.468 18485 7966 1 13 . 1 1 96 96 LEU N N 96 122.329 122.329 120.343 1.986 18485 7967 1 13 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.099 -0.018 18485 7968 1 13 . 1 1 96 96 LEU C C 96 177.070 177.070 178.158 -1.088 18485 7969 1 13 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.419 -0.459 18485 7970 1 13 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.585 -0.683 18485 7971 1 13 . 1 1 96 96 LEU H H 96 7.992 7.992 7.920 0.072 18485 7972 1 13 . 1 1 97 97 LYS N N 97 118.159 118.159 117.791 0.368 18485 7973 1 13 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.973 -0.052 18485 7974 1 13 . 1 1 97 97 LYS C C 97 178.245 178.245 179.386 -1.141 18485 7975 1 13 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.514 0.586 18485 7976 1 13 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.906 0.022 18485 7977 1 13 . 1 1 97 97 LYS H H 97 8.254 8.254 7.748 0.506 18485 7978 1 13 . 1 1 98 98 LYS N N 98 117.677 117.677 120.896 -3.219 18485 7979 1 13 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.080 -0.143 18485 7980 1 13 . 1 1 98 98 LYS C C 98 177.471 177.471 178.650 -1.179 18485 7981 1 13 . 1 1 98 98 LYS CA C 98 59.930 59.930 58.607 1.323 18485 7982 1 13 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.141 0.599 18485 7983 1 13 . 1 1 98 98 LYS H H 98 7.388 7.388 8.016 -0.628 18485 7984 1 13 . 1 1 99 99 MET N N 99 119.426 119.426 119.333 0.093 18485 7985 1 13 . 1 1 99 99 MET HA H 99 4.138 4.138 4.156 -0.018 18485 7986 1 13 . 1 1 99 99 MET C C 99 178.018 178.018 178.418 -0.400 18485 7987 1 13 . 1 1 99 99 MET CA C 99 59.151 59.151 59.077 0.074 18485 7988 1 13 . 1 1 99 99 MET CB C 99 32.550 32.550 32.602 -0.053 18485 7989 1 13 . 1 1 99 99 MET H H 99 7.934 7.934 7.837 0.097 18485 7990 1 13 . 1 1 100 100 LEU N N 100 118.006 118.006 118.876 -0.870 18485 7991 1 13 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.867 -0.076 18485 7992 1 13 . 1 1 100 100 LEU C C 100 178.592 178.592 178.894 -0.302 18485 7993 1 13 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.105 0.497 18485 7994 1 13 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.276 -0.576 18485 7995 1 13 . 1 1 100 100 LEU H H 100 8.131 8.131 7.698 0.433 18485 7996 1 13 . 1 1 101 101 ARG N N 101 118.551 118.551 116.981 1.570 18485 7997 1 13 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.057 0.069 18485 7998 1 13 . 1 1 101 101 ARG C C 101 181.117 181.117 178.002 3.115 18485 7999 1 13 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.800 0.477 18485 8000 1 13 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.480 0.312 18485 8001 1 13 . 1 1 101 101 ARG H H 101 8.045 8.045 7.468 0.577 18485 8002 1 13 . 1 1 102 102 ASP N N 102 122.544 122.544 120.098 2.446 18485 8003 1 13 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.527 -0.122 18485 8004 1 13 . 1 1 102 102 ASP C C 102 178.405 178.405 177.576 0.829 18485 8005 1 13 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.492 0.810 18485 8006 1 13 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.309 -0.996 18485 8007 1 13 . 1 1 102 102 ASP H H 102 8.828 8.828 7.875 0.953 18485 8008 1 13 . 1 1 103 103 LYS N N 103 116.177 116.177 117.636 -1.459 18485 8009 1 13 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.466 -0.070 18485 8010 1 13 . 1 1 103 103 LYS C C 103 176.282 176.282 176.363 -0.081 18485 8011 1 13 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.787 0.537 18485 8012 1 13 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.872 -0.157 18485 8013 1 13 . 1 1 103 103 LYS H H 103 7.847 7.847 7.913 -0.066 18485 8014 1 13 . 1 1 104 104 GLY N N 104 108.597 108.597 107.458 1.139 18485 8015 1 13 . 1 1 104 104 GLY C C 104 174.450 174.450 174.545 -0.095 18485 8016 1 13 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.603 0.720 18485 8017 1 13 . 1 1 104 104 GLY H H 104 7.930 7.930 7.712 0.218 18485 8018 1 13 . 1 1 105 105 ILE N N 105 123.232 123.232 121.105 2.127 18485 8019 1 13 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.153 -0.044 18485 8020 1 13 . 1 1 105 105 ILE C C 105 175.374 175.374 176.369 -0.995 18485 8021 1 13 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.865 -0.222 18485 8022 1 13 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.676 0.012 18485 8023 1 13 . 1 1 105 105 ILE H H 105 8.323 8.323 8.060 0.263 18485 8024 1 13 . 1 1 106 106 THR N N 106 123.522 123.522 123.867 -0.345 18485 8025 1 13 . 1 1 106 106 THR HA H 106 4.155 4.155 4.160 -0.005 18485 8026 1 13 . 1 1 106 106 THR C C 106 173.223 173.223 173.462 -0.239 18485 8027 1 13 . 1 1 106 106 THR CA C 106 63.189 63.189 63.567 -0.378 18485 8028 1 13 . 1 1 106 106 THR CB C 106 69.242 69.242 68.798 0.444 18485 8029 1 13 . 1 1 106 106 THR H H 106 8.521 8.521 8.747 -0.226 18485 8030 1 13 . 1 1 107 107 CYS N N 107 120.688 120.688 123.487 -2.799 18485 8031 1 13 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.378 -0.511 18485 8032 1 13 . 1 1 107 107 CYS C C 107 173.798 173.798 174.097 -0.299 18485 8033 1 13 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.467 0.085 18485 8034 1 13 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.173 -0.711 18485 8035 1 13 . 1 1 107 107 CYS H H 107 8.247 8.247 8.150 0.097 18485 8036 1 13 . 1 1 108 108 ARG N N 108 122.349 122.349 120.713 1.636 18485 8037 1 13 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.241 0.050 18485 8038 1 13 . 1 1 108 108 ARG C C 108 175.547 175.547 176.373 -0.826 18485 8039 1 13 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.643 -0.343 18485 8040 1 13 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.599 0.677 18485 8041 1 13 . 1 1 108 108 ARG H H 108 8.512 8.512 8.557 -0.045 18485 8042 1 13 . 1 1 109 109 ASP N N 109 121.453 121.453 120.286 1.167 18485 8043 1 13 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.536 0.089 18485 8044 1 13 . 1 1 109 109 ASP C C 109 174.973 174.973 177.059 -2.086 18485 8045 1 13 . 1 1 109 109 ASP CA C 109 54.239 54.239 54.967 -0.728 18485 8046 1 13 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.032 -0.076 18485 8047 1 13 . 1 1 109 109 ASP H H 109 8.399 8.399 8.338 0.061 18485 8048 1 14 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.548 -0.136 18485 8049 1 14 . 1 1 2 2 ALA C C 2 177.283 177.283 176.739 0.544 18485 8050 1 14 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.852 0.432 18485 8051 1 14 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.198 -0.694 18485 8052 1 14 . 1 1 3 3 MET N N 3 121.052 121.052 123.147 -2.095 18485 8053 1 14 . 1 1 3 3 MET HA H 3 4.458 4.458 4.628 -0.170 18485 8054 1 14 . 1 1 3 3 MET C C 3 175.185 175.185 175.747 -0.562 18485 8055 1 14 . 1 1 3 3 MET CA C 3 56.001 56.001 55.173 0.828 18485 8056 1 14 . 1 1 3 3 MET CB C 3 34.282 34.282 34.192 0.090 18485 8057 1 14 . 1 1 3 3 MET H H 3 8.313 8.313 8.135 0.178 18485 8058 1 14 . 1 1 4 4 VAL N N 4 116.976 116.976 118.483 -1.507 18485 8059 1 14 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.635 0.007 18485 8060 1 14 . 1 1 4 4 VAL C C 4 176.976 176.976 175.956 1.020 18485 8061 1 14 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.090 0.662 18485 8062 1 14 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.245 0.633 18485 8063 1 14 . 1 1 4 4 VAL H H 4 8.432 8.432 8.584 -0.152 18485 8064 1 14 . 1 1 5 5 LYS N N 5 123.795 123.795 123.603 0.192 18485 8065 1 14 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.028 -0.442 18485 8066 1 14 . 1 1 5 5 LYS C C 5 178.205 178.205 178.312 -0.107 18485 8067 1 14 . 1 1 5 5 LYS CA C 5 61.062 61.062 60.198 0.864 18485 8068 1 14 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.389 -0.167 18485 8069 1 14 . 1 1 5 5 LYS H H 5 8.725 8.725 8.800 -0.075 18485 8070 1 14 . 1 1 6 6 LYS N N 6 117.559 117.559 118.226 -0.667 18485 8071 1 14 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.066 0.008 18485 8072 1 14 . 1 1 6 6 LYS C C 6 176.976 176.976 178.142 -1.166 18485 8073 1 14 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.301 -0.282 18485 8074 1 14 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.060 0.598 18485 8075 1 14 . 1 1 6 6 LYS H H 6 8.395 8.395 8.357 0.038 18485 8076 1 14 . 1 1 7 7 ASP N N 7 116.710 116.710 119.224 -2.514 18485 8077 1 14 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.455 -0.091 18485 8078 1 14 . 1 1 7 7 ASP C C 7 179.180 179.180 178.743 0.437 18485 8079 1 14 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.473 -0.063 18485 8080 1 14 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.433 0.442 18485 8081 1 14 . 1 1 7 7 ASP H H 7 7.415 7.415 7.945 -0.530 18485 8082 1 14 . 1 1 8 8 ILE N N 8 120.990 120.990 120.571 0.419 18485 8083 1 14 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.522 -0.245 18485 8084 1 14 . 1 1 8 8 ILE C C 8 177.537 177.537 177.587 -0.050 18485 8085 1 14 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.815 -0.255 18485 8086 1 14 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.334 -0.265 18485 8087 1 14 . 1 1 8 8 ILE H H 8 7.302 7.302 7.265 0.037 18485 8088 1 14 . 1 1 9 9 ASP N N 9 120.214 120.214 120.843 -0.629 18485 8089 1 14 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.429 -0.222 18485 8090 1 14 . 1 1 9 9 ASP C C 9 178.564 178.564 178.450 0.114 18485 8091 1 14 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.505 0.503 18485 8092 1 14 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.058 0.824 18485 8093 1 14 . 1 1 9 9 ASP H H 9 7.884 7.884 8.133 -0.249 18485 8094 1 14 . 1 1 10 10 ASP N N 10 117.314 117.314 118.803 -1.489 18485 8095 1 14 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.566 -0.242 18485 8096 1 14 . 1 1 10 10 ASP C C 10 179.340 179.340 178.645 0.695 18485 8097 1 14 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.907 0.279 18485 8098 1 14 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.661 -0.748 18485 8099 1 14 . 1 1 10 10 ASP H H 10 8.856 8.856 8.522 0.334 18485 8100 1 14 . 1 1 11 11 THR N N 11 119.032 119.032 117.907 1.125 18485 8101 1 14 . 1 1 11 11 THR HA H 11 4.061 4.061 3.968 0.093 18485 8102 1 14 . 1 1 11 11 THR C C 11 175.574 175.574 176.270 -0.696 18485 8103 1 14 . 1 1 11 11 THR CA C 11 67.210 67.210 67.307 -0.097 18485 8104 1 14 . 1 1 11 11 THR CB C 11 68.319 68.319 68.908 -0.589 18485 8105 1 14 . 1 1 11 11 THR H H 11 7.670 7.670 7.811 -0.141 18485 8106 1 14 . 1 1 12 12 ILE N N 12 122.228 122.228 120.811 1.417 18485 8107 1 14 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.730 -0.091 18485 8108 1 14 . 1 1 12 12 ILE C C 12 177.455 177.455 177.546 -0.091 18485 8109 1 14 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.030 -0.121 18485 8110 1 14 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.690 -0.112 18485 8111 1 14 . 1 1 12 12 ILE H H 12 8.303 8.303 8.241 0.062 18485 8112 1 14 . 1 1 13 13 LYS N N 13 114.462 114.462 117.611 -3.149 18485 8113 1 14 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.182 -0.048 18485 8114 1 14 . 1 1 13 13 LYS C C 13 177.547 177.547 177.839 -0.292 18485 8115 1 14 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.736 -0.335 18485 8116 1 14 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.688 0.318 18485 8117 1 14 . 1 1 13 13 LYS H H 13 7.709 7.709 7.430 0.279 18485 8118 1 14 . 1 1 14 14 SER N N 14 112.642 112.642 115.441 -2.799 18485 8119 1 14 . 1 1 14 14 SER HA H 14 4.551 4.551 4.441 0.110 18485 8120 1 14 . 1 1 14 14 SER C C 14 174.532 174.532 175.160 -0.628 18485 8121 1 14 . 1 1 14 14 SER CA C 14 59.744 59.744 60.406 -0.662 18485 8122 1 14 . 1 1 14 14 SER CB C 14 65.009 65.009 64.364 0.645 18485 8123 1 14 . 1 1 14 14 SER H H 14 7.749 7.749 7.777 -0.028 18485 8124 1 14 . 1 1 15 15 GLU N N 15 121.266 121.266 121.003 0.263 18485 8125 1 14 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.419 0.145 18485 8126 1 14 . 1 1 15 15 GLU C C 15 176.789 176.789 176.477 0.312 18485 8127 1 14 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.465 -1.020 18485 8128 1 14 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.662 -0.336 18485 8129 1 14 . 1 1 15 15 GLU H H 15 8.101 8.101 8.064 0.037 18485 8130 1 14 . 1 1 16 16 ASP N N 16 122.253 122.253 120.423 1.830 18485 8131 1 14 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.769 -0.429 18485 8132 1 14 . 1 1 16 16 ASP C C 16 176.469 176.469 175.547 0.922 18485 8133 1 14 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.614 2.144 18485 8134 1 14 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.445 -1.627 18485 8135 1 14 . 1 1 16 16 ASP H H 16 8.685 8.685 8.872 -0.187 18485 8136 1 14 . 1 1 17 17 VAL N N 17 118.536 118.536 118.211 0.325 18485 8137 1 14 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.864 0.051 18485 8138 1 14 . 1 1 17 17 VAL C C 17 174.452 174.452 173.822 0.630 18485 8139 1 14 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.392 0.512 18485 8140 1 14 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.766 -0.389 18485 8141 1 14 . 1 1 17 17 VAL H H 17 8.547 8.547 7.789 0.758 18485 8142 1 14 . 1 1 18 18 VAL N N 18 125.917 125.917 128.099 -2.182 18485 8143 1 14 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.190 0.065 18485 8144 1 14 . 1 1 18 18 VAL C C 18 174.158 174.158 174.526 -0.368 18485 8145 1 14 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.927 -0.825 18485 8146 1 14 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.666 0.389 18485 8147 1 14 . 1 1 18 18 VAL H H 18 8.755 8.755 9.027 -0.272 18485 8148 1 14 . 1 1 19 19 THR N N 19 120.107 120.107 120.097 0.010 18485 8149 1 14 . 1 1 19 19 THR HA H 19 5.795 5.795 5.296 0.499 18485 8150 1 14 . 1 1 19 19 THR C C 19 171.126 171.126 172.900 -1.774 18485 8151 1 14 . 1 1 19 19 THR CA C 19 58.118 58.118 60.037 -1.919 18485 8152 1 14 . 1 1 19 19 THR CB C 19 72.547 72.547 71.613 0.934 18485 8153 1 14 . 1 1 19 19 THR H H 19 8.938 8.938 8.780 0.158 18485 8154 1 14 . 1 1 20 20 PHE N N 20 125.287 125.287 126.634 -1.347 18485 8155 1 14 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.014 0.490 18485 8156 1 14 . 1 1 20 20 PHE C C 20 175.200 175.200 174.996 0.204 18485 8157 1 14 . 1 1 20 20 PHE CA C 20 56.498 56.498 57.397 -0.898 18485 8158 1 14 . 1 1 20 20 PHE CB C 20 41.661 41.661 40.366 1.295 18485 8159 1 14 . 1 1 20 20 PHE H H 20 8.230 8.230 9.017 -0.787 18485 8160 1 14 . 1 1 21 21 ILE N N 21 114.660 114.660 116.768 -2.108 18485 8161 1 14 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.899 -0.087 18485 8162 1 14 . 1 1 21 21 ILE C C 21 173.918 173.918 174.007 -0.089 18485 8163 1 14 . 1 1 21 21 ILE CA C 21 59.363 59.363 58.899 0.464 18485 8164 1 14 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.458 1.363 18485 8165 1 14 . 1 1 21 21 ILE H H 21 9.042 9.042 9.244 -0.202 18485 8166 1 14 . 1 1 22 22 LYS N N 22 117.197 117.197 123.101 -5.904 18485 8167 1 14 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.992 -0.389 18485 8168 1 14 . 1 1 22 22 LYS C C 22 175.935 175.935 175.710 0.225 18485 8169 1 14 . 1 1 22 22 LYS CA C 22 56.698 56.698 54.727 1.971 18485 8170 1 14 . 1 1 22 22 LYS CB C 22 33.193 33.193 32.600 0.593 18485 8171 1 14 . 1 1 22 22 LYS H H 22 8.581 8.581 8.399 0.182 18485 8172 1 14 . 1 1 23 23 GLY N N 23 117.108 117.108 109.766 7.342 18485 8173 1 14 . 1 1 23 23 GLY C C 23 170.793 170.793 172.432 -1.639 18485 8174 1 14 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.931 -0.294 18485 8175 1 14 . 1 1 23 23 GLY H H 23 9.178 9.178 8.166 1.012 18485 8176 1 14 . 1 1 24 24 LEU N N 24 117.859 117.859 121.843 -3.984 18485 8177 1 14 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.560 0.300 18485 8178 1 14 . 1 1 24 24 LEU C C 24 176.709 176.709 176.198 0.511 18485 8179 1 14 . 1 1 24 24 LEU CA C 24 51.950 51.950 52.709 -0.759 18485 8180 1 14 . 1 1 24 24 LEU CB C 24 43.008 43.008 42.036 0.972 18485 8181 1 14 . 1 1 24 24 LEU H H 24 7.162 7.162 7.990 -0.828 18485 8182 1 14 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.492 -0.539 18485 8183 1 14 . 1 1 25 25 PRO C C 25 177.190 177.190 177.446 -0.256 18485 8184 1 14 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.840 1.482 18485 8185 1 14 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.299 -0.575 18485 8186 1 14 . 1 1 26 26 GLU N N 26 111.260 111.260 116.840 -5.580 18485 8187 1 14 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.230 -0.025 18485 8188 1 14 . 1 1 26 26 GLU C C 26 176.429 176.429 176.280 0.149 18485 8189 1 14 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.317 -0.574 18485 8190 1 14 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.283 -0.585 18485 8191 1 14 . 1 1 26 26 GLU H H 26 8.807 8.807 8.293 0.514 18485 8192 1 14 . 1 1 27 27 ALA N N 27 122.547 122.547 122.788 -0.241 18485 8193 1 14 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.585 0.002 18485 8194 1 14 . 1 1 27 27 ALA C C 27 172.342 172.342 174.833 -2.491 18485 8195 1 14 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.271 0.613 18485 8196 1 14 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.901 -0.206 18485 8197 1 14 . 1 1 27 27 ALA H H 27 7.856 7.856 7.690 0.166 18485 8198 1 14 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.584 0.058 18485 8199 1 14 . 1 1 28 28 PRO C C 28 178.512 178.512 176.412 2.100 18485 8200 1 14 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.623 0.483 18485 8201 1 14 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.700 -0.635 18485 8202 1 14 . 1 1 29 29 MET N N 29 119.426 119.426 120.304 -0.878 18485 8203 1 14 . 1 1 29 29 MET HA H 29 4.758 4.758 4.494 0.264 18485 8204 1 14 . 1 1 29 29 MET C C 29 175.374 175.374 175.932 -0.558 18485 8205 1 14 . 1 1 29 29 MET CA C 29 54.594 54.594 56.848 -2.254 18485 8206 1 14 . 1 1 29 29 MET CB C 29 33.036 33.036 32.592 0.444 18485 8207 1 14 . 1 1 29 29 MET H H 29 8.828 8.828 8.800 0.028 18485 8208 1 14 . 1 1 30 30 CYS N N 30 116.089 116.089 117.459 -1.370 18485 8209 1 14 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.533 0.319 18485 8210 1 14 . 1 1 30 30 CYS C C 30 176.028 176.028 174.736 1.292 18485 8211 1 14 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.807 0.918 18485 8212 1 14 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.006 2.253 18485 8213 1 14 . 1 1 30 30 CYS H H 30 7.455 7.455 7.449 0.006 18485 8214 1 14 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.984 0.096 18485 8215 1 14 . 1 1 31 31 ALA C C 31 180.222 180.222 178.335 1.887 18485 8216 1 14 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.907 -0.213 18485 8217 1 14 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.451 0.230 18485 8218 1 14 . 1 1 32 32 TYR N N 32 121.972 121.972 116.481 5.491 18485 8219 1 14 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.268 0.065 18485 8220 1 14 . 1 1 32 32 TYR C C 32 178.673 178.673 178.291 0.382 18485 8221 1 14 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.975 -1.046 18485 8222 1 14 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.498 -0.461 18485 8223 1 14 . 1 1 32 32 TYR H H 32 8.846 8.846 7.941 0.905 18485 8224 1 14 . 1 1 33 33 SER N N 33 125.375 125.375 115.958 9.417 18485 8225 1 14 . 1 1 33 33 SER HA H 33 4.013 4.013 4.197 -0.184 18485 8226 1 14 . 1 1 33 33 SER C C 33 174.906 174.906 176.243 -1.337 18485 8227 1 14 . 1 1 33 33 SER CA C 33 64.417 64.417 62.681 1.736 18485 8228 1 14 . 1 1 33 33 SER CB C 33 62.687 62.687 62.561 0.126 18485 8229 1 14 . 1 1 33 33 SER H H 33 10.272 10.272 7.962 2.310 18485 8230 1 14 . 1 1 34 34 LYS N N 34 121.216 121.216 123.038 -1.822 18485 8231 1 14 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.893 -0.040 18485 8232 1 14 . 1 1 34 34 LYS C C 34 177.083 177.083 178.696 -1.613 18485 8233 1 14 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.636 0.026 18485 8234 1 14 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.476 -0.326 18485 8235 1 14 . 1 1 34 34 LYS H H 34 8.024 8.024 8.253 -0.229 18485 8236 1 14 . 1 1 35 35 ARG N N 35 117.269 117.269 118.616 -1.347 18485 8237 1 14 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.103 0.046 18485 8238 1 14 . 1 1 35 35 ARG C C 35 178.058 178.058 178.964 -0.906 18485 8239 1 14 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.309 0.667 18485 8240 1 14 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.830 -0.118 18485 8241 1 14 . 1 1 35 35 ARG H H 35 7.559 7.559 8.246 -0.687 18485 8242 1 14 . 1 1 36 36 MET N N 36 117.954 117.954 120.122 -2.168 18485 8243 1 14 . 1 1 36 36 MET HA H 36 4.068 4.068 4.154 -0.086 18485 8244 1 14 . 1 1 36 36 MET C C 36 176.963 176.963 177.779 -0.816 18485 8245 1 14 . 1 1 36 36 MET CA C 36 58.195 58.195 57.825 0.370 18485 8246 1 14 . 1 1 36 36 MET CB C 36 31.742 31.742 32.321 -0.579 18485 8247 1 14 . 1 1 36 36 MET H H 36 8.027 8.027 8.116 -0.089 18485 8248 1 14 . 1 1 37 37 ILE N N 37 118.650 118.650 118.915 -0.265 18485 8249 1 14 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.462 0.058 18485 8250 1 14 . 1 1 37 37 ILE C C 37 177.631 177.631 178.088 -0.457 18485 8251 1 14 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.920 -2.047 18485 8252 1 14 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.381 -1.209 18485 8253 1 14 . 1 1 37 37 ILE H H 37 7.825 7.825 7.709 0.116 18485 8254 1 14 . 1 1 38 38 ASP N N 38 119.229 119.229 119.753 -0.524 18485 8255 1 14 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.332 -0.002 18485 8256 1 14 . 1 1 38 38 ASP C C 38 180.208 180.208 178.464 1.744 18485 8257 1 14 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.704 -0.174 18485 8258 1 14 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.848 -0.878 18485 8259 1 14 . 1 1 38 38 ASP H H 38 8.629 8.629 8.270 0.359 18485 8260 1 14 . 1 1 39 39 VAL N N 39 121.475 121.475 119.308 2.167 18485 8261 1 14 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.725 -0.150 18485 8262 1 14 . 1 1 39 39 VAL C C 39 177.056 177.056 178.029 -0.973 18485 8263 1 14 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.868 0.942 18485 8264 1 14 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.569 -0.074 18485 8265 1 14 . 1 1 39 39 VAL H H 39 7.879 7.879 7.429 0.450 18485 8266 1 14 . 1 1 40 40 LEU N N 40 118.145 118.145 118.901 -0.756 18485 8267 1 14 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.960 -0.186 18485 8268 1 14 . 1 1 40 40 LEU C C 40 179.794 179.794 178.728 1.066 18485 8269 1 14 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.684 0.480 18485 8270 1 14 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.252 -0.655 18485 8271 1 14 . 1 1 40 40 LEU H H 40 7.574 7.574 7.248 0.326 18485 8272 1 14 . 1 1 41 41 GLU N N 41 116.305 116.305 118.721 -2.416 18485 8273 1 14 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.213 0.084 18485 8274 1 14 . 1 1 41 41 GLU C C 41 181.117 181.117 178.568 2.549 18485 8275 1 14 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.660 -0.108 18485 8276 1 14 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.990 -0.869 18485 8277 1 14 . 1 1 41 41 GLU H H 41 8.871 8.871 8.563 0.308 18485 8278 1 14 . 1 1 42 42 ALA N N 42 124.797 124.797 120.674 4.123 18485 8279 1 14 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.220 -0.055 18485 8280 1 14 . 1 1 42 42 ALA C C 42 180.275 180.275 178.342 1.933 18485 8281 1 14 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.114 0.866 18485 8282 1 14 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.924 -1.265 18485 8283 1 14 . 1 1 42 42 ALA H H 42 8.285 8.285 8.234 0.051 18485 8284 1 14 . 1 1 43 43 LEU N N 43 115.767 115.767 115.742 0.025 18485 8285 1 14 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.566 -0.317 18485 8286 1 14 . 1 1 43 43 LEU C C 43 177.177 177.177 176.946 0.231 18485 8287 1 14 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.028 1.378 18485 8288 1 14 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.700 0.783 18485 8289 1 14 . 1 1 43 43 LEU H H 43 7.528 7.528 7.614 -0.086 18485 8290 1 14 . 1 1 44 44 GLY N N 44 108.593 108.593 107.734 0.859 18485 8291 1 14 . 1 1 44 44 GLY C C 44 175.011 175.011 174.819 0.192 18485 8292 1 14 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.572 0.769 18485 8293 1 14 . 1 1 44 44 GLY H H 44 7.927 7.927 7.410 0.517 18485 8294 1 14 . 1 1 45 45 LEU N N 45 117.269 117.269 117.879 -0.610 18485 8295 1 14 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.662 -0.210 18485 8296 1 14 . 1 1 45 45 LEU C C 45 176.976 176.976 177.057 -0.081 18485 8297 1 14 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.990 0.410 18485 8298 1 14 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.765 -0.049 18485 8299 1 14 . 1 1 45 45 LEU H H 45 7.482 7.482 7.521 -0.039 18485 8300 1 14 . 1 1 46 46 GLU N N 46 121.177 121.177 122.483 -1.306 18485 8301 1 14 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.297 0.166 18485 8302 1 14 . 1 1 46 46 GLU C C 46 176.135 176.135 174.973 1.162 18485 8303 1 14 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.625 -0.101 18485 8304 1 14 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.349 -0.116 18485 8305 1 14 . 1 1 46 46 GLU H H 46 8.250 8.250 8.701 -0.451 18485 8306 1 14 . 1 1 47 47 TYR N N 47 119.617 119.617 119.764 -0.147 18485 8307 1 14 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.136 0.162 18485 8308 1 14 . 1 1 47 47 TYR C C 47 173.798 173.798 174.630 -0.832 18485 8309 1 14 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.363 0.461 18485 8310 1 14 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.201 0.870 18485 8311 1 14 . 1 1 47 47 TYR H H 47 7.874 7.874 7.857 0.017 18485 8312 1 14 . 1 1 48 48 THR N N 48 117.577 117.577 118.328 -0.751 18485 8313 1 14 . 1 1 48 48 THR HA H 48 4.266 4.266 4.464 -0.198 18485 8314 1 14 . 1 1 48 48 THR C C 48 171.941 171.941 173.217 -1.276 18485 8315 1 14 . 1 1 48 48 THR CA C 48 62.299 62.299 61.902 0.397 18485 8316 1 14 . 1 1 48 48 THR CB C 48 70.899 70.899 70.642 0.257 18485 8317 1 14 . 1 1 48 48 THR H H 48 8.549 8.549 8.573 -0.024 18485 8318 1 14 . 1 1 49 49 SER N N 49 121.488 121.488 120.384 1.104 18485 8319 1 14 . 1 1 49 49 SER HA H 49 5.516 5.516 5.083 0.433 18485 8320 1 14 . 1 1 49 49 SER C C 49 173.691 173.691 172.927 0.764 18485 8321 1 14 . 1 1 49 49 SER CA C 49 55.758 55.758 56.477 -0.719 18485 8322 1 14 . 1 1 49 49 SER CB C 49 66.386 66.386 64.565 1.821 18485 8323 1 14 . 1 1 49 49 SER H H 49 8.536 8.536 8.343 0.193 18485 8324 1 14 . 1 1 50 50 PHE N N 50 124.791 124.791 124.284 0.507 18485 8325 1 14 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.642 0.073 18485 8326 1 14 . 1 1 50 50 PHE C C 50 173.608 173.608 173.630 -0.022 18485 8327 1 14 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.969 0.370 18485 8328 1 14 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.373 1.155 18485 8329 1 14 . 1 1 50 50 PHE H H 50 8.627 8.627 8.573 0.054 18485 8330 1 14 . 1 1 51 51 ASP N N 51 120.606 120.606 121.110 -0.504 18485 8331 1 14 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.483 -0.113 18485 8332 1 14 . 1 1 51 51 ASP C C 51 178.779 178.779 178.051 0.728 18485 8333 1 14 . 1 1 51 51 ASP CA C 51 52.234 52.234 51.915 0.319 18485 8334 1 14 . 1 1 51 51 ASP CB C 51 42.175 42.175 42.281 -0.106 18485 8335 1 14 . 1 1 51 51 ASP H H 51 8.415 8.415 8.563 -0.148 18485 8336 1 14 . 1 1 52 52 VAL N N 52 119.623 119.623 122.228 -2.605 18485 8337 1 14 . 1 1 52 52 VAL HA H 52 4.106 4.106 3.971 0.135 18485 8338 1 14 . 1 1 52 52 VAL C C 52 176.682 176.682 176.495 0.187 18485 8339 1 14 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.823 -1.496 18485 8340 1 14 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.871 -0.097 18485 8341 1 14 . 1 1 52 52 VAL H H 52 9.307 9.307 8.668 0.639 18485 8342 1 14 . 1 1 53 53 LEU N N 53 118.392 118.392 118.211 0.181 18485 8343 1 14 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.419 -0.161 18485 8344 1 14 . 1 1 53 53 LEU C C 53 179.153 179.153 178.253 0.900 18485 8345 1 14 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.712 0.051 18485 8346 1 14 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.445 -0.410 18485 8347 1 14 . 1 1 53 53 LEU H H 53 9.008 9.008 8.446 0.562 18485 8348 1 14 . 1 1 54 54 ALA N N 54 119.577 119.577 121.084 -1.507 18485 8349 1 14 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.307 -0.067 18485 8350 1 14 . 1 1 54 54 ALA C C 54 177.657 177.657 177.108 0.549 18485 8351 1 14 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.965 0.423 18485 8352 1 14 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.620 -0.501 18485 8353 1 14 . 1 1 54 54 ALA H H 54 7.304 7.304 7.415 -0.111 18485 8354 1 14 . 1 1 55 55 HIS N N 55 114.383 114.383 117.316 -2.933 18485 8355 1 14 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.937 0.187 18485 8356 1 14 . 1 1 55 55 HIS C C 55 174.238 174.238 173.346 0.892 18485 8357 1 14 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.973 -0.879 18485 8358 1 14 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.595 1.194 18485 8359 1 14 . 1 1 55 55 HIS H H 55 6.894 6.894 7.606 -0.712 18485 8360 1 14 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.355 -0.029 18485 8361 1 14 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.307 -0.045 18485 8362 1 14 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.436 -0.395 18485 8363 1 14 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.702 0.285 18485 8364 1 14 . 1 1 57 57 VAL C C 57 177.804 177.804 178.299 -0.495 18485 8365 1 14 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.760 -1.433 18485 8366 1 14 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.554 -0.333 18485 8367 1 14 . 1 1 57 57 VAL H H 57 9.778 9.778 7.907 1.871 18485 8368 1 14 . 1 1 58 58 VAL N N 58 120.641 120.641 119.332 1.309 18485 8369 1 14 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.751 -0.219 18485 8370 1 14 . 1 1 58 58 VAL C C 58 177.270 177.270 177.565 -0.295 18485 8371 1 14 . 1 1 58 58 VAL CA C 58 65.910 65.910 67.349 -1.439 18485 8372 1 14 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.466 -0.044 18485 8373 1 14 . 1 1 58 58 VAL H H 58 7.540 7.540 7.886 -0.346 18485 8374 1 14 . 1 1 59 59 ARG N N 59 118.263 118.263 119.247 -0.984 18485 8375 1 14 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.156 -0.242 18485 8376 1 14 . 1 1 59 59 ARG C C 59 178.579 178.579 178.447 0.132 18485 8377 1 14 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.348 0.631 18485 8378 1 14 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.372 0.581 18485 8379 1 14 . 1 1 59 59 ARG H H 59 7.536 7.536 7.677 -0.141 18485 8380 1 14 . 1 1 60 60 SER N N 60 113.091 113.091 116.450 -3.359 18485 8381 1 14 . 1 1 60 60 SER HA H 60 4.161 4.161 4.161 -0.000 18485 8382 1 14 . 1 1 60 60 SER C C 60 175.761 175.761 176.391 -0.630 18485 8383 1 14 . 1 1 60 60 SER CA C 60 61.435 61.435 62.049 -0.614 18485 8384 1 14 . 1 1 60 60 SER CB C 60 62.721 62.721 62.924 -0.203 18485 8385 1 14 . 1 1 60 60 SER H H 60 8.204 8.204 8.803 -0.599 18485 8386 1 14 . 1 1 61 61 TYR N N 61 123.436 123.436 122.482 0.954 18485 8387 1 14 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.110 -0.228 18485 8388 1 14 . 1 1 61 61 TYR C C 61 177.731 177.731 177.368 0.363 18485 8389 1 14 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.027 0.001 18485 8390 1 14 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.337 0.817 18485 8391 1 14 . 1 1 61 61 TYR H H 61 8.024 8.024 8.029 -0.005 18485 8392 1 14 . 1 1 62 62 VAL N N 62 115.253 115.253 119.422 -4.169 18485 8393 1 14 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.410 0.119 18485 8394 1 14 . 1 1 62 62 VAL C C 62 176.990 176.990 177.920 -0.930 18485 8395 1 14 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.916 -1.692 18485 8396 1 14 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.264 0.172 18485 8397 1 14 . 1 1 62 62 VAL H H 62 7.754 7.754 7.802 -0.048 18485 8398 1 14 . 1 1 63 63 LYS N N 63 117.543 117.543 119.161 -1.618 18485 8399 1 14 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.039 -0.010 18485 8400 1 14 . 1 1 63 63 LYS C C 63 177.549 177.549 179.287 -1.738 18485 8401 1 14 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.841 -0.514 18485 8402 1 14 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.329 0.432 18485 8403 1 14 . 1 1 63 63 LYS H H 63 7.367 7.367 8.224 -0.857 18485 8404 1 14 . 1 1 64 64 GLU N N 64 116.093 116.093 115.685 0.408 18485 8405 1 14 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.283 -0.169 18485 8406 1 14 . 1 1 64 64 GLU C C 64 177.547 177.547 177.795 -0.248 18485 8407 1 14 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.893 -0.388 18485 8408 1 14 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.527 -0.150 18485 8409 1 14 . 1 1 64 64 GLU H H 64 7.701 7.701 8.142 -0.441 18485 8410 1 14 . 1 1 65 65 VAL N N 65 116.739 116.739 117.835 -1.096 18485 8411 1 14 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.953 -0.118 18485 8412 1 14 . 1 1 65 65 VAL C C 65 176.335 176.335 176.999 -0.664 18485 8413 1 14 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.381 0.115 18485 8414 1 14 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.700 -0.457 18485 8415 1 14 . 1 1 65 65 VAL H H 65 7.608 7.608 7.880 -0.272 18485 8416 1 14 . 1 1 66 66 SER N N 66 114.353 114.353 116.535 -2.182 18485 8417 1 14 . 1 1 66 66 SER HA H 66 4.230 4.230 4.386 -0.156 18485 8418 1 14 . 1 1 66 66 SER C C 66 174.345 174.345 175.191 -0.846 18485 8419 1 14 . 1 1 66 66 SER CA C 66 58.038 58.038 59.912 -1.874 18485 8420 1 14 . 1 1 66 66 SER CB C 66 63.898 63.898 63.843 0.055 18485 8421 1 14 . 1 1 66 66 SER H H 66 7.526 7.526 7.770 -0.244 18485 8422 1 14 . 1 1 67 67 GLU N N 67 121.681 121.681 115.541 6.140 18485 8423 1 14 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.860 0.005 18485 8424 1 14 . 1 1 67 67 GLU C C 67 175.748 175.748 174.976 0.772 18485 8425 1 14 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.495 0.350 18485 8426 1 14 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.404 1.976 18485 8427 1 14 . 1 1 67 67 GLU H H 67 7.966 7.966 8.162 -0.196 18485 8428 1 14 . 1 1 68 68 TRP N N 68 119.264 119.264 120.929 -1.665 18485 8429 1 14 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.809 0.126 18485 8430 1 14 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.413 -0.558 18485 8431 1 14 . 1 1 68 68 TRP CB C 68 30.717 30.717 30.459 0.258 18485 8432 1 14 . 1 1 68 68 TRP H H 68 7.633 7.633 7.685 -0.052 18485 8433 1 14 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.389 0.053 18485 8434 1 14 . 1 1 69 69 PRO C C 69 176.375 176.375 175.828 0.547 18485 8435 1 14 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.216 0.351 18485 8436 1 14 . 1 1 69 69 PRO CB C 69 31.513 31.513 32.036 -0.523 18485 8437 1 14 . 1 1 70 70 THR N N 70 114.312 114.312 111.043 3.269 18485 8438 1 14 . 1 1 70 70 THR HA H 70 4.344 4.344 4.326 0.018 18485 8439 1 14 . 1 1 70 70 THR C C 70 172.275 172.275 173.459 -1.184 18485 8440 1 14 . 1 1 70 70 THR CA C 70 61.465 61.465 61.027 0.438 18485 8441 1 14 . 1 1 70 70 THR CB C 70 70.433 70.433 70.130 0.302 18485 8442 1 14 . 1 1 70 70 THR H H 70 7.162 7.162 7.594 -0.432 18485 8443 1 14 . 1 1 71 71 ILE N N 71 123.770 123.770 121.176 2.594 18485 8444 1 14 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.611 -0.109 18485 8445 1 14 . 1 1 71 71 ILE C C 71 175.106 175.106 174.547 0.559 18485 8446 1 14 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.736 -1.981 18485 8447 1 14 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.912 0.165 18485 8448 1 14 . 1 1 71 71 ILE H H 71 8.398 8.398 8.391 0.007 18485 8449 1 14 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.000 0.558 18485 8450 1 14 . 1 1 72 72 PRO C C 72 175.507 175.507 175.649 -0.142 18485 8451 1 14 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.594 -0.156 18485 8452 1 14 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.532 4.124 18485 8453 1 14 . 1 1 73 73 GLN N N 73 112.013 112.013 115.394 -3.381 18485 8454 1 14 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.370 -0.278 18485 8455 1 14 . 1 1 73 73 GLN C C 73 174.559 174.559 174.664 -0.105 18485 8456 1 14 . 1 1 73 73 GLN CA C 73 55.529 55.529 55.075 0.454 18485 8457 1 14 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.966 0.474 18485 8458 1 14 . 1 1 73 73 GLN H H 73 8.521 8.521 8.663 -0.142 18485 8459 1 14 . 1 1 74 74 LEU N N 74 124.684 124.684 121.970 2.714 18485 8460 1 14 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.234 0.098 18485 8461 1 14 . 1 1 74 74 LEU C C 74 172.761 172.761 174.405 -1.644 18485 8462 1 14 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.835 0.720 18485 8463 1 14 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.216 0.827 18485 8464 1 14 . 1 1 74 74 LEU H H 74 8.266 8.266 8.641 -0.375 18485 8465 1 14 . 1 1 75 75 PHE N N 75 126.827 126.827 123.797 3.030 18485 8466 1 14 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.427 -0.184 18485 8467 1 14 . 1 1 75 75 PHE C C 75 174.813 174.813 174.632 0.181 18485 8468 1 14 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.458 0.610 18485 8469 1 14 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.547 -0.898 18485 8470 1 14 . 1 1 75 75 PHE H H 75 9.692 9.692 9.364 0.328 18485 8471 1 14 . 1 1 76 76 ILE N N 76 118.421 118.421 121.800 -3.379 18485 8472 1 14 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.965 0.138 18485 8473 1 14 . 1 1 76 76 ILE C C 76 176.242 176.242 176.333 -0.091 18485 8474 1 14 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.193 0.000 18485 8475 1 14 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.601 -0.076 18485 8476 1 14 . 1 1 76 76 ILE H H 76 8.612 8.612 9.101 -0.489 18485 8477 1 14 . 1 1 77 77 LYS N N 77 129.856 129.856 126.324 3.532 18485 8478 1 14 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.931 0.261 18485 8479 1 14 . 1 1 77 77 LYS C C 77 175.887 175.887 176.138 -0.251 18485 8480 1 14 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.341 -0.740 18485 8481 1 14 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.666 0.933 18485 8482 1 14 . 1 1 77 77 LYS H H 77 10.357 10.357 9.190 1.167 18485 8483 1 14 . 1 1 78 78 ALA N N 78 114.323 114.323 116.097 -1.774 18485 8484 1 14 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.181 -0.343 18485 8485 1 14 . 1 1 78 78 ALA C C 78 175.949 175.949 176.749 -0.800 18485 8486 1 14 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.242 0.276 18485 8487 1 14 . 1 1 78 78 ALA CB C 78 18.235 18.235 17.909 0.326 18485 8488 1 14 . 1 1 78 78 ALA H H 78 9.554 9.554 8.631 0.923 18485 8489 1 14 . 1 1 79 79 GLU N N 79 120.498 120.498 118.415 2.083 18485 8490 1 14 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.712 0.052 18485 8491 1 14 . 1 1 79 79 GLU C C 79 175.200 175.200 174.698 0.502 18485 8492 1 14 . 1 1 79 79 GLU CA C 79 54.771 54.771 53.853 0.918 18485 8493 1 14 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.006 -1.004 18485 8494 1 14 . 1 1 79 79 GLU H H 79 8.219 8.219 7.919 0.300 18485 8495 1 14 . 1 1 80 80 PHE N N 80 125.962 125.962 125.299 0.663 18485 8496 1 14 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.177 0.215 18485 8497 1 14 . 1 1 80 80 PHE C C 80 175.280 175.280 174.324 0.956 18485 8498 1 14 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.761 -0.502 18485 8499 1 14 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.145 -0.597 18485 8500 1 14 . 1 1 80 80 PHE H H 80 8.935 8.935 8.715 0.220 18485 8501 1 14 . 1 1 81 81 VAL N N 81 128.637 128.637 124.245 4.392 18485 8502 1 14 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.791 -0.022 18485 8503 1 14 . 1 1 81 81 VAL C C 81 174.733 174.733 175.062 -0.329 18485 8504 1 14 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.061 0.978 18485 8505 1 14 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.845 -1.207 18485 8506 1 14 . 1 1 81 81 VAL H H 81 8.288 8.288 7.806 0.482 18485 8507 1 14 . 1 1 82 82 GLY N N 82 100.310 100.310 104.669 -4.359 18485 8508 1 14 . 1 1 82 82 GLY C C 82 172.515 172.515 172.235 0.280 18485 8509 1 14 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.441 0.779 18485 8510 1 14 . 1 1 82 82 GLY H H 82 5.816 5.816 6.429 -0.613 18485 8511 1 14 . 1 1 83 83 GLY N N 83 104.342 104.342 105.606 -1.264 18485 8512 1 14 . 1 1 83 83 GLY C C 83 173.758 173.758 174.690 -0.932 18485 8513 1 14 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.478 0.345 18485 8514 1 14 . 1 1 83 83 GLY H H 83 7.401 7.401 8.268 -0.867 18485 8515 1 14 . 1 1 84 84 LEU N N 84 118.350 118.350 121.662 -3.312 18485 8516 1 14 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.170 -0.389 18485 8517 1 14 . 1 1 84 84 LEU C C 84 178.245 178.245 178.472 -0.227 18485 8518 1 14 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.891 0.363 18485 8519 1 14 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.641 0.961 18485 8520 1 14 . 1 1 84 84 LEU H H 84 8.807 8.807 8.849 -0.042 18485 8521 1 14 . 1 1 85 85 ASP N N 85 118.373 118.373 118.772 -0.399 18485 8522 1 14 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.419 -0.153 18485 8523 1 14 . 1 1 85 85 ASP C C 85 178.296 178.296 178.492 -0.196 18485 8524 1 14 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.236 0.376 18485 8525 1 14 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.603 -1.104 18485 8526 1 14 . 1 1 85 85 ASP H H 85 8.697 8.697 8.500 0.197 18485 8527 1 14 . 1 1 86 86 ILE N N 86 120.495 120.495 119.449 1.046 18485 8528 1 14 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.896 -0.050 18485 8529 1 14 . 1 1 86 86 ILE C C 86 177.657 177.657 178.137 -0.480 18485 8530 1 14 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.861 -1.003 18485 8531 1 14 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.385 0.128 18485 8532 1 14 . 1 1 86 86 ILE H H 86 7.605 7.605 7.370 0.235 18485 8533 1 14 . 1 1 87 87 VAL N N 87 120.596 120.596 116.532 4.064 18485 8534 1 14 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.652 -0.345 18485 8535 1 14 . 1 1 87 87 VAL C C 87 177.629 177.629 177.734 -0.105 18485 8536 1 14 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.529 1.181 18485 8537 1 14 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.252 0.413 18485 8538 1 14 . 1 1 87 87 VAL H H 87 7.934 7.934 8.100 -0.166 18485 8539 1 14 . 1 1 88 88 THR N N 88 112.971 112.971 113.595 -0.624 18485 8540 1 14 . 1 1 88 88 THR HA H 88 3.822 3.822 4.067 -0.245 18485 8541 1 14 . 1 1 88 88 THR C C 88 176.896 176.896 176.452 0.444 18485 8542 1 14 . 1 1 88 88 THR CA C 88 66.898 66.898 65.985 0.913 18485 8543 1 14 . 1 1 88 88 THR CB C 88 68.370 68.370 68.437 -0.067 18485 8544 1 14 . 1 1 88 88 THR H H 88 8.719 8.719 7.848 0.872 18485 8545 1 14 . 1 1 89 89 LYS N N 89 123.633 123.633 122.897 0.736 18485 8546 1 14 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.028 0.121 18485 8547 1 14 . 1 1 89 89 LYS C C 89 179.648 179.648 178.932 0.716 18485 8548 1 14 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.813 -0.187 18485 8549 1 14 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.129 -0.041 18485 8550 1 14 . 1 1 89 89 LYS H H 89 7.568 7.568 7.945 -0.377 18485 8551 1 14 . 1 1 90 90 MET N N 90 118.147 118.147 118.460 -0.313 18485 8552 1 14 . 1 1 90 90 MET HA H 90 4.333 4.333 4.163 0.170 18485 8553 1 14 . 1 1 90 90 MET C C 90 179.634 179.634 178.883 0.751 18485 8554 1 14 . 1 1 90 90 MET CA C 90 58.590 58.590 59.170 -0.580 18485 8555 1 14 . 1 1 90 90 MET CB C 90 34.033 34.033 32.628 1.405 18485 8556 1 14 . 1 1 90 90 MET H H 90 8.520 8.520 8.359 0.161 18485 8557 1 14 . 1 1 91 91 LEU N N 91 124.789 124.789 122.235 2.554 18485 8558 1 14 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.935 0.265 18485 8559 1 14 . 1 1 91 91 LEU C C 91 179.696 179.696 178.903 0.793 18485 8560 1 14 . 1 1 91 91 LEU CA C 91 58.081 58.081 58.081 -0.000 18485 8561 1 14 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.829 0.032 18485 8562 1 14 . 1 1 91 91 LEU H H 91 8.792 8.792 8.214 0.578 18485 8563 1 14 . 1 1 92 92 GLU N N 92 118.965 118.965 119.496 -0.531 18485 8564 1 14 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.007 0.010 18485 8565 1 14 . 1 1 92 92 GLU C C 92 178.352 178.352 178.381 -0.029 18485 8566 1 14 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.067 0.011 18485 8567 1 14 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.562 0.129 18485 8568 1 14 . 1 1 92 92 GLU H H 92 7.999 7.999 8.206 -0.207 18485 8569 1 14 . 1 1 93 93 SER N N 93 111.381 111.381 112.311 -0.930 18485 8570 1 14 . 1 1 93 93 SER HA H 93 4.406 4.406 4.390 0.016 18485 8571 1 14 . 1 1 93 93 SER C C 93 175.948 175.948 175.861 0.087 18485 8572 1 14 . 1 1 93 93 SER CA C 93 59.192 59.192 58.823 0.369 18485 8573 1 14 . 1 1 93 93 SER CB C 93 64.227 64.227 63.543 0.684 18485 8574 1 14 . 1 1 93 93 SER H H 93 8.270 8.270 7.921 0.349 18485 8575 1 14 . 1 1 94 94 GLY N N 94 109.172 109.172 110.079 -0.907 18485 8576 1 14 . 1 1 94 94 GLY C C 94 174.906 174.906 175.060 -0.154 18485 8577 1 14 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.795 -1.412 18485 8578 1 14 . 1 1 94 94 GLY H H 94 7.406 7.406 8.295 -0.889 18485 8579 1 14 . 1 1 95 95 ASP N N 95 122.640 122.640 122.611 0.029 18485 8580 1 14 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.342 0.137 18485 8581 1 14 . 1 1 95 95 ASP C C 95 178.486 178.486 177.871 0.615 18485 8582 1 14 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.320 -0.069 18485 8583 1 14 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.642 0.728 18485 8584 1 14 . 1 1 95 95 ASP H H 95 8.337 8.337 7.697 0.640 18485 8585 1 14 . 1 1 96 96 LEU N N 96 122.329 122.329 119.455 2.874 18485 8586 1 14 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.128 -0.047 18485 8587 1 14 . 1 1 96 96 LEU C C 96 177.070 177.070 178.467 -1.397 18485 8588 1 14 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.900 0.060 18485 8589 1 14 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.595 -0.693 18485 8590 1 14 . 1 1 96 96 LEU H H 96 7.992 7.992 7.983 0.009 18485 8591 1 14 . 1 1 97 97 LYS N N 97 118.159 118.159 118.291 -0.132 18485 8592 1 14 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.935 -0.014 18485 8593 1 14 . 1 1 97 97 LYS C C 97 178.245 178.245 178.793 -0.548 18485 8594 1 14 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.589 0.511 18485 8595 1 14 . 1 1 97 97 LYS CB C 97 31.928 31.928 32.062 -0.134 18485 8596 1 14 . 1 1 97 97 LYS H H 97 8.254 8.254 7.647 0.607 18485 8597 1 14 . 1 1 98 98 LYS N N 98 117.677 117.677 120.034 -2.357 18485 8598 1 14 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.004 -0.067 18485 8599 1 14 . 1 1 98 98 LYS C C 98 177.471 177.471 178.842 -1.371 18485 8600 1 14 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.220 0.710 18485 8601 1 14 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.406 0.334 18485 8602 1 14 . 1 1 98 98 LYS H H 98 7.388 7.388 8.088 -0.700 18485 8603 1 14 . 1 1 99 99 MET N N 99 119.426 119.426 118.486 0.940 18485 8604 1 14 . 1 1 99 99 MET HA H 99 4.138 4.138 4.156 -0.018 18485 8605 1 14 . 1 1 99 99 MET C C 99 178.018 178.018 178.056 -0.038 18485 8606 1 14 . 1 1 99 99 MET CA C 99 59.151 59.151 58.771 0.380 18485 8607 1 14 . 1 1 99 99 MET CB C 99 32.550 32.550 32.543 0.007 18485 8608 1 14 . 1 1 99 99 MET H H 99 7.934 7.934 7.797 0.137 18485 8609 1 14 . 1 1 100 100 LEU N N 100 118.006 118.006 118.827 -0.821 18485 8610 1 14 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.906 -0.115 18485 8611 1 14 . 1 1 100 100 LEU C C 100 178.592 178.592 178.802 -0.210 18485 8612 1 14 . 1 1 100 100 LEU CA C 100 58.602 58.602 57.867 0.735 18485 8613 1 14 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.281 -0.581 18485 8614 1 14 . 1 1 100 100 LEU H H 100 8.131 8.131 7.552 0.579 18485 8615 1 14 . 1 1 101 101 ARG N N 101 118.551 118.551 118.021 0.530 18485 8616 1 14 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.045 0.081 18485 8617 1 14 . 1 1 101 101 ARG C C 101 181.117 181.117 178.102 3.015 18485 8618 1 14 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.918 0.359 18485 8619 1 14 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.670 0.122 18485 8620 1 14 . 1 1 101 101 ARG H H 101 8.045 8.045 7.463 0.582 18485 8621 1 14 . 1 1 102 102 ASP N N 102 122.544 122.544 120.015 2.529 18485 8622 1 14 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.585 -0.180 18485 8623 1 14 . 1 1 102 102 ASP C C 102 178.405 178.405 177.937 0.468 18485 8624 1 14 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.418 0.884 18485 8625 1 14 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.157 -0.844 18485 8626 1 14 . 1 1 102 102 ASP H H 102 8.828 8.828 7.764 1.064 18485 8627 1 14 . 1 1 103 103 LYS N N 103 116.177 116.177 117.207 -1.030 18485 8628 1 14 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.476 -0.080 18485 8629 1 14 . 1 1 103 103 LYS C C 103 176.282 176.282 176.649 -0.367 18485 8630 1 14 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.957 0.367 18485 8631 1 14 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.892 -0.178 18485 8632 1 14 . 1 1 103 103 LYS H H 103 7.847 7.847 8.091 -0.244 18485 8633 1 14 . 1 1 104 104 GLY N N 104 108.597 108.597 107.214 1.383 18485 8634 1 14 . 1 1 104 104 GLY C C 104 174.450 174.450 174.664 -0.214 18485 8635 1 14 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.327 0.996 18485 8636 1 14 . 1 1 104 104 GLY H H 104 7.930 7.930 7.715 0.215 18485 8637 1 14 . 1 1 105 105 ILE N N 105 123.232 123.232 120.142 3.090 18485 8638 1 14 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.237 -0.128 18485 8639 1 14 . 1 1 105 105 ILE C C 105 175.374 175.374 176.430 -1.056 18485 8640 1 14 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.591 0.052 18485 8641 1 14 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.390 -0.702 18485 8642 1 14 . 1 1 105 105 ILE H H 105 8.323 8.323 7.988 0.335 18485 8643 1 14 . 1 1 106 106 THR N N 106 123.522 123.522 122.461 1.061 18485 8644 1 14 . 1 1 106 106 THR HA H 106 4.155 4.155 4.215 -0.060 18485 8645 1 14 . 1 1 106 106 THR C C 106 173.223 173.223 173.305 -0.082 18485 8646 1 14 . 1 1 106 106 THR CA C 106 63.189 63.189 63.600 -0.411 18485 8647 1 14 . 1 1 106 106 THR CB C 106 69.242 69.242 68.722 0.520 18485 8648 1 14 . 1 1 106 106 THR H H 106 8.521 8.521 8.610 -0.089 18485 8649 1 14 . 1 1 107 107 CYS N N 107 120.688 120.688 122.348 -1.660 18485 8650 1 14 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.141 -0.274 18485 8651 1 14 . 1 1 107 107 CYS C C 107 173.798 173.798 173.674 0.124 18485 8652 1 14 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.524 0.028 18485 8653 1 14 . 1 1 107 107 CYS CB C 107 30.462 30.462 30.948 -0.486 18485 8654 1 14 . 1 1 107 107 CYS H H 107 8.247 8.247 8.034 0.213 18485 8655 1 14 . 1 1 108 108 ARG N N 108 122.349 122.349 120.707 1.642 18485 8656 1 14 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.146 0.145 18485 8657 1 14 . 1 1 108 108 ARG C C 108 175.547 175.547 175.953 -0.406 18485 8658 1 14 . 1 1 108 108 ARG CA C 108 56.300 56.300 57.144 -0.844 18485 8659 1 14 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.667 0.609 18485 8660 1 14 . 1 1 108 108 ARG H H 108 8.512 8.512 8.442 0.070 18485 8661 1 14 . 1 1 109 109 ASP N N 109 121.453 121.453 121.181 0.272 18485 8662 1 14 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.458 0.167 18485 8663 1 14 . 1 1 109 109 ASP C C 109 174.973 174.973 176.672 -1.699 18485 8664 1 14 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.051 -0.812 18485 8665 1 14 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.459 0.498 18485 8666 1 14 . 1 1 109 109 ASP H H 109 8.399 8.399 8.434 -0.035 18485 8667 1 15 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.132 0.280 18485 8668 1 15 . 1 1 2 2 ALA C C 2 177.283 177.283 175.899 1.384 18485 8669 1 15 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.359 -0.075 18485 8670 1 15 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.265 0.239 18485 8671 1 15 . 1 1 3 3 MET N N 3 121.052 121.052 122.397 -1.345 18485 8672 1 15 . 1 1 3 3 MET HA H 3 4.458 4.458 4.602 -0.144 18485 8673 1 15 . 1 1 3 3 MET C C 3 175.185 175.185 175.879 -0.694 18485 8674 1 15 . 1 1 3 3 MET CA C 3 56.001 56.001 55.377 0.624 18485 8675 1 15 . 1 1 3 3 MET CB C 3 34.282 34.282 34.127 0.155 18485 8676 1 15 . 1 1 3 3 MET H H 3 8.313 8.313 8.496 -0.183 18485 8677 1 15 . 1 1 4 4 VAL N N 4 116.976 116.976 119.896 -2.920 18485 8678 1 15 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.650 -0.008 18485 8679 1 15 . 1 1 4 4 VAL C C 4 176.976 176.976 176.014 0.962 18485 8680 1 15 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.487 0.265 18485 8681 1 15 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.293 0.585 18485 8682 1 15 . 1 1 4 4 VAL H H 4 8.432 8.432 8.424 0.008 18485 8683 1 15 . 1 1 5 5 LYS N N 5 123.795 123.795 122.336 1.459 18485 8684 1 15 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.043 -0.457 18485 8685 1 15 . 1 1 5 5 LYS C C 5 178.205 178.205 178.284 -0.079 18485 8686 1 15 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.475 1.587 18485 8687 1 15 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.559 -0.336 18485 8688 1 15 . 1 1 5 5 LYS H H 5 8.725 8.725 8.719 0.006 18485 8689 1 15 . 1 1 6 6 LYS N N 6 117.559 117.559 119.919 -2.360 18485 8690 1 15 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.052 0.022 18485 8691 1 15 . 1 1 6 6 LYS C C 6 176.976 176.976 178.465 -1.489 18485 8692 1 15 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.036 -0.017 18485 8693 1 15 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.710 0.948 18485 8694 1 15 . 1 1 6 6 LYS H H 6 8.395 8.395 8.411 -0.016 18485 8695 1 15 . 1 1 7 7 ASP N N 7 116.710 116.710 118.891 -2.181 18485 8696 1 15 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.466 -0.102 18485 8697 1 15 . 1 1 7 7 ASP C C 7 179.180 179.180 178.167 1.013 18485 8698 1 15 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.141 0.269 18485 8699 1 15 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.535 0.340 18485 8700 1 15 . 1 1 7 7 ASP H H 7 7.415 7.415 7.911 -0.496 18485 8701 1 15 . 1 1 8 8 ILE N N 8 120.990 120.990 120.004 0.986 18485 8702 1 15 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.614 -0.337 18485 8703 1 15 . 1 1 8 8 ILE C C 8 177.537 177.537 177.327 0.210 18485 8704 1 15 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.793 -0.233 18485 8705 1 15 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.882 -0.813 18485 8706 1 15 . 1 1 8 8 ILE H H 8 7.302 7.302 7.408 -0.106 18485 8707 1 15 . 1 1 9 9 ASP N N 9 120.214 120.214 120.377 -0.163 18485 8708 1 15 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.428 -0.221 18485 8709 1 15 . 1 1 9 9 ASP C C 9 178.564 178.564 178.564 0.000 18485 8710 1 15 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.035 0.973 18485 8711 1 15 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.094 0.788 18485 8712 1 15 . 1 1 9 9 ASP H H 9 7.884 7.884 8.439 -0.555 18485 8713 1 15 . 1 1 10 10 ASP N N 10 117.314 117.314 118.409 -1.095 18485 8714 1 15 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.654 -0.330 18485 8715 1 15 . 1 1 10 10 ASP C C 10 179.340 179.340 178.103 1.237 18485 8716 1 15 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.822 0.364 18485 8717 1 15 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.402 -1.489 18485 8718 1 15 . 1 1 10 10 ASP H H 10 8.856 8.856 8.257 0.599 18485 8719 1 15 . 1 1 11 11 THR N N 11 119.032 119.032 117.664 1.368 18485 8720 1 15 . 1 1 11 11 THR HA H 11 4.061 4.061 4.089 -0.028 18485 8721 1 15 . 1 1 11 11 THR C C 11 175.574 175.574 176.790 -1.216 18485 8722 1 15 . 1 1 11 11 THR CA C 11 67.210 67.210 66.819 0.391 18485 8723 1 15 . 1 1 11 11 THR CB C 11 68.319 68.319 68.642 -0.323 18485 8724 1 15 . 1 1 11 11 THR H H 11 7.670 7.670 7.631 0.039 18485 8725 1 15 . 1 1 12 12 ILE N N 12 122.228 122.228 120.866 1.362 18485 8726 1 15 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.591 0.048 18485 8727 1 15 . 1 1 12 12 ILE C C 12 177.455 177.455 177.221 0.234 18485 8728 1 15 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.898 0.011 18485 8729 1 15 . 1 1 12 12 ILE CB C 12 37.578 37.578 36.995 0.583 18485 8730 1 15 . 1 1 12 12 ILE H H 12 8.303 8.303 8.642 -0.339 18485 8731 1 15 . 1 1 13 13 LYS N N 13 114.462 114.462 116.619 -2.157 18485 8732 1 15 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.148 -0.014 18485 8733 1 15 . 1 1 13 13 LYS C C 13 177.547 177.547 178.159 -0.612 18485 8734 1 15 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.934 0.467 18485 8735 1 15 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.170 0.835 18485 8736 1 15 . 1 1 13 13 LYS H H 13 7.709 7.709 7.378 0.331 18485 8737 1 15 . 1 1 14 14 SER N N 14 112.642 112.642 114.253 -1.611 18485 8738 1 15 . 1 1 14 14 SER HA H 14 4.551 4.551 4.387 0.164 18485 8739 1 15 . 1 1 14 14 SER C C 14 174.532 174.532 175.100 -0.568 18485 8740 1 15 . 1 1 14 14 SER CA C 14 59.744 59.744 60.250 -0.506 18485 8741 1 15 . 1 1 14 14 SER CB C 14 65.009 65.009 64.078 0.931 18485 8742 1 15 . 1 1 14 14 SER H H 14 7.749 7.749 7.997 -0.248 18485 8743 1 15 . 1 1 15 15 GLU N N 15 121.266 121.266 120.429 0.837 18485 8744 1 15 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.337 0.228 18485 8745 1 15 . 1 1 15 15 GLU C C 15 176.789 176.789 176.808 -0.019 18485 8746 1 15 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.976 -1.531 18485 8747 1 15 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.845 -0.519 18485 8748 1 15 . 1 1 15 15 GLU H H 15 8.101 8.101 7.898 0.203 18485 8749 1 15 . 1 1 16 16 ASP N N 16 122.253 122.253 120.773 1.480 18485 8750 1 15 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.638 -0.298 18485 8751 1 15 . 1 1 16 16 ASP C C 16 176.469 176.469 175.795 0.674 18485 8752 1 15 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.696 2.063 18485 8753 1 15 . 1 1 16 16 ASP CB C 16 40.818 40.818 41.849 -1.031 18485 8754 1 15 . 1 1 16 16 ASP H H 16 8.685 8.685 8.845 -0.160 18485 8755 1 15 . 1 1 17 17 VAL N N 17 118.536 118.536 117.988 0.548 18485 8756 1 15 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.766 0.148 18485 8757 1 15 . 1 1 17 17 VAL C C 17 174.452 174.452 174.141 0.311 18485 8758 1 15 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.399 0.504 18485 8759 1 15 . 1 1 17 17 VAL CB C 17 34.377 34.377 35.136 -0.759 18485 8760 1 15 . 1 1 17 17 VAL H H 17 8.547 8.547 7.704 0.843 18485 8761 1 15 . 1 1 18 18 VAL N N 18 125.917 125.917 126.478 -0.561 18485 8762 1 15 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.203 0.052 18485 8763 1 15 . 1 1 18 18 VAL C C 18 174.158 174.158 174.333 -0.175 18485 8764 1 15 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.153 -0.051 18485 8765 1 15 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.448 -0.393 18485 8766 1 15 . 1 1 18 18 VAL H H 18 8.755 8.755 9.110 -0.355 18485 8767 1 15 . 1 1 19 19 THR N N 19 120.107 120.107 118.572 1.535 18485 8768 1 15 . 1 1 19 19 THR HA H 19 5.795 5.795 5.165 0.630 18485 8769 1 15 . 1 1 19 19 THR C C 19 171.126 171.126 172.648 -1.522 18485 8770 1 15 . 1 1 19 19 THR CA C 19 58.118 58.118 60.114 -1.996 18485 8771 1 15 . 1 1 19 19 THR CB C 19 72.547 72.547 71.504 1.043 18485 8772 1 15 . 1 1 19 19 THR H H 19 8.938 8.938 8.543 0.395 18485 8773 1 15 . 1 1 20 20 PHE N N 20 125.287 125.287 125.358 -0.071 18485 8774 1 15 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.520 -0.016 18485 8775 1 15 . 1 1 20 20 PHE C C 20 175.200 175.200 175.431 -0.231 18485 8776 1 15 . 1 1 20 20 PHE CA C 20 56.498 56.498 57.014 -0.516 18485 8777 1 15 . 1 1 20 20 PHE CB C 20 41.661 41.661 40.637 1.024 18485 8778 1 15 . 1 1 20 20 PHE H H 20 8.230 8.230 8.989 -0.759 18485 8779 1 15 . 1 1 21 21 ILE N N 21 114.660 114.660 117.011 -2.351 18485 8780 1 15 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.886 -0.074 18485 8781 1 15 . 1 1 21 21 ILE C C 21 173.918 173.918 173.993 -0.075 18485 8782 1 15 . 1 1 21 21 ILE CA C 21 59.363 59.363 58.906 0.457 18485 8783 1 15 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.405 1.415 18485 8784 1 15 . 1 1 21 21 ILE H H 21 9.042 9.042 9.449 -0.407 18485 8785 1 15 . 1 1 22 22 LYS N N 22 117.197 117.197 123.071 -5.874 18485 8786 1 15 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.969 -0.366 18485 8787 1 15 . 1 1 22 22 LYS C C 22 175.935 175.935 175.702 0.233 18485 8788 1 15 . 1 1 22 22 LYS CA C 22 56.698 56.698 54.739 1.959 18485 8789 1 15 . 1 1 22 22 LYS CB C 22 33.193 33.193 32.571 0.622 18485 8790 1 15 . 1 1 22 22 LYS H H 22 8.581 8.581 8.383 0.198 18485 8791 1 15 . 1 1 23 23 GLY N N 23 117.108 117.108 109.706 7.402 18485 8792 1 15 . 1 1 23 23 GLY C C 23 170.793 170.793 172.376 -1.583 18485 8793 1 15 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.956 -0.319 18485 8794 1 15 . 1 1 23 23 GLY H H 23 9.178 9.178 8.134 1.044 18485 8795 1 15 . 1 1 24 24 LEU N N 24 117.859 117.859 121.486 -3.627 18485 8796 1 15 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.556 0.304 18485 8797 1 15 . 1 1 24 24 LEU C C 24 176.709 176.709 176.006 0.703 18485 8798 1 15 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.168 -1.218 18485 8799 1 15 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.809 1.199 18485 8800 1 15 . 1 1 24 24 LEU H H 24 7.162 7.162 7.901 -0.739 18485 8801 1 15 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.402 -0.450 18485 8802 1 15 . 1 1 25 25 PRO C C 25 177.190 177.190 177.595 -0.405 18485 8803 1 15 . 1 1 25 25 PRO CA C 25 66.322 66.322 65.256 1.066 18485 8804 1 15 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.183 -0.459 18485 8805 1 15 . 1 1 26 26 GLU N N 26 111.260 111.260 116.922 -5.662 18485 8806 1 15 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.176 0.029 18485 8807 1 15 . 1 1 26 26 GLU C C 26 176.429 176.429 176.571 -0.142 18485 8808 1 15 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.738 -0.995 18485 8809 1 15 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.324 -0.626 18485 8810 1 15 . 1 1 26 26 GLU H H 26 8.807 8.807 8.331 0.476 18485 8811 1 15 . 1 1 27 27 ALA N N 27 122.547 122.547 123.607 -1.060 18485 8812 1 15 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.639 -0.052 18485 8813 1 15 . 1 1 27 27 ALA C C 27 172.342 172.342 175.026 -2.684 18485 8814 1 15 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.766 1.118 18485 8815 1 15 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.768 -0.073 18485 8816 1 15 . 1 1 27 27 ALA H H 27 7.856 7.856 7.775 0.081 18485 8817 1 15 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.555 0.087 18485 8818 1 15 . 1 1 28 28 PRO C C 28 178.512 178.512 176.388 2.124 18485 8819 1 15 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.941 0.165 18485 8820 1 15 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.638 -0.573 18485 8821 1 15 . 1 1 29 29 MET N N 29 119.426 119.426 118.629 0.797 18485 8822 1 15 . 1 1 29 29 MET HA H 29 4.758 4.758 4.513 0.245 18485 8823 1 15 . 1 1 29 29 MET C C 29 175.374 175.374 175.111 0.263 18485 8824 1 15 . 1 1 29 29 MET CA C 29 54.594 54.594 56.155 -1.561 18485 8825 1 15 . 1 1 29 29 MET CB C 29 33.036 33.036 32.870 0.166 18485 8826 1 15 . 1 1 29 29 MET H H 29 8.828 8.828 8.690 0.138 18485 8827 1 15 . 1 1 30 30 CYS N N 30 116.089 116.089 116.728 -0.639 18485 8828 1 15 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.615 0.237 18485 8829 1 15 . 1 1 30 30 CYS C C 30 176.028 176.028 174.578 1.450 18485 8830 1 15 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.556 1.169 18485 8831 1 15 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.763 1.496 18485 8832 1 15 . 1 1 30 30 CYS H H 30 7.455 7.455 7.582 -0.127 18485 8833 1 15 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.051 0.029 18485 8834 1 15 . 1 1 31 31 ALA C C 31 180.222 180.222 178.569 1.653 18485 8835 1 15 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.964 -0.270 18485 8836 1 15 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.632 0.049 18485 8837 1 15 . 1 1 32 32 TYR N N 32 121.972 121.972 116.423 5.549 18485 8838 1 15 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.242 0.091 18485 8839 1 15 . 1 1 32 32 TYR C C 32 178.673 178.673 178.341 0.332 18485 8840 1 15 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.030 -1.101 18485 8841 1 15 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.664 -0.627 18485 8842 1 15 . 1 1 32 32 TYR H H 32 8.846 8.846 8.135 0.711 18485 8843 1 15 . 1 1 33 33 SER N N 33 125.375 125.375 115.230 10.145 18485 8844 1 15 . 1 1 33 33 SER HA H 33 4.013 4.013 4.193 -0.180 18485 8845 1 15 . 1 1 33 33 SER C C 33 174.906 174.906 176.141 -1.235 18485 8846 1 15 . 1 1 33 33 SER CA C 33 64.417 64.417 62.377 2.039 18485 8847 1 15 . 1 1 33 33 SER CB C 33 62.687 62.687 62.600 0.087 18485 8848 1 15 . 1 1 33 33 SER H H 33 10.272 10.272 7.833 2.439 18485 8849 1 15 . 1 1 34 34 LYS N N 34 121.216 121.216 122.675 -1.459 18485 8850 1 15 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.997 -0.144 18485 8851 1 15 . 1 1 34 34 LYS C C 34 177.083 177.083 178.738 -1.655 18485 8852 1 15 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.032 0.631 18485 8853 1 15 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.248 -0.098 18485 8854 1 15 . 1 1 34 34 LYS H H 34 8.024 8.024 7.941 0.083 18485 8855 1 15 . 1 1 35 35 ARG N N 35 117.269 117.269 118.971 -1.702 18485 8856 1 15 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.087 0.062 18485 8857 1 15 . 1 1 35 35 ARG C C 35 178.058 178.058 178.907 -0.849 18485 8858 1 15 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.348 0.628 18485 8859 1 15 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.712 0.000 18485 8860 1 15 . 1 1 35 35 ARG H H 35 7.559 7.559 8.121 -0.562 18485 8861 1 15 . 1 1 36 36 MET N N 36 117.954 117.954 119.957 -2.003 18485 8862 1 15 . 1 1 36 36 MET HA H 36 4.068 4.068 4.154 -0.086 18485 8863 1 15 . 1 1 36 36 MET C C 36 176.963 176.963 177.822 -0.859 18485 8864 1 15 . 1 1 36 36 MET CA C 36 58.195 58.195 57.858 0.337 18485 8865 1 15 . 1 1 36 36 MET CB C 36 31.742 31.742 32.328 -0.585 18485 8866 1 15 . 1 1 36 36 MET H H 36 8.027 8.027 7.997 0.030 18485 8867 1 15 . 1 1 37 37 ILE N N 37 118.650 118.650 119.060 -0.410 18485 8868 1 15 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.440 0.080 18485 8869 1 15 . 1 1 37 37 ILE C C 37 177.631 177.631 178.109 -0.478 18485 8870 1 15 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.973 -2.100 18485 8871 1 15 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.417 -1.245 18485 8872 1 15 . 1 1 37 37 ILE H H 37 7.825 7.825 7.810 0.015 18485 8873 1 15 . 1 1 38 38 ASP N N 38 119.229 119.229 119.893 -0.664 18485 8874 1 15 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.290 0.040 18485 8875 1 15 . 1 1 38 38 ASP C C 38 180.208 180.208 178.330 1.878 18485 8876 1 15 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.663 -0.133 18485 8877 1 15 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.805 -0.835 18485 8878 1 15 . 1 1 38 38 ASP H H 38 8.629 8.629 8.409 0.220 18485 8879 1 15 . 1 1 39 39 VAL N N 39 121.475 121.475 119.649 1.826 18485 8880 1 15 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.688 -0.113 18485 8881 1 15 . 1 1 39 39 VAL C C 39 177.056 177.056 177.978 -0.922 18485 8882 1 15 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.282 0.528 18485 8883 1 15 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.728 -0.233 18485 8884 1 15 . 1 1 39 39 VAL H H 39 7.879 7.879 7.421 0.458 18485 8885 1 15 . 1 1 40 40 LEU N N 40 118.145 118.145 118.703 -0.558 18485 8886 1 15 . 1 1 40 40 LEU HA H 40 3.774 3.774 4.046 -0.272 18485 8887 1 15 . 1 1 40 40 LEU C C 40 179.794 179.794 179.036 0.758 18485 8888 1 15 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.874 0.290 18485 8889 1 15 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.208 -0.611 18485 8890 1 15 . 1 1 40 40 LEU H H 40 7.574 7.574 7.067 0.507 18485 8891 1 15 . 1 1 41 41 GLU N N 41 116.305 116.305 119.323 -3.018 18485 8892 1 15 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.167 0.130 18485 8893 1 15 . 1 1 41 41 GLU C C 41 181.117 181.117 179.333 1.784 18485 8894 1 15 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.261 -0.709 18485 8895 1 15 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.644 -0.523 18485 8896 1 15 . 1 1 41 41 GLU H H 41 8.871 8.871 8.594 0.277 18485 8897 1 15 . 1 1 42 42 ALA N N 42 124.797 124.797 121.208 3.589 18485 8898 1 15 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.178 -0.013 18485 8899 1 15 . 1 1 42 42 ALA C C 42 180.275 180.275 178.805 1.470 18485 8900 1 15 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.390 0.590 18485 8901 1 15 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.797 -1.138 18485 8902 1 15 . 1 1 42 42 ALA H H 42 8.285 8.285 8.306 -0.021 18485 8903 1 15 . 1 1 43 43 LEU N N 43 115.767 115.767 114.674 1.093 18485 8904 1 15 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.392 -0.143 18485 8905 1 15 . 1 1 43 43 LEU C C 43 177.177 177.177 177.161 0.016 18485 8906 1 15 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.710 0.696 18485 8907 1 15 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.457 1.026 18485 8908 1 15 . 1 1 43 43 LEU H H 43 7.528 7.528 7.589 -0.061 18485 8909 1 15 . 1 1 44 44 GLY N N 44 108.593 108.593 106.387 2.206 18485 8910 1 15 . 1 1 44 44 GLY C C 44 175.011 175.011 174.156 0.855 18485 8911 1 15 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.128 1.213 18485 8912 1 15 . 1 1 44 44 GLY H H 44 7.927 7.927 7.497 0.430 18485 8913 1 15 . 1 1 45 45 LEU N N 45 117.269 117.269 118.558 -1.289 18485 8914 1 15 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.837 -0.385 18485 8915 1 15 . 1 1 45 45 LEU C C 45 176.976 176.976 176.792 0.184 18485 8916 1 15 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.843 0.557 18485 8917 1 15 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.794 -0.078 18485 8918 1 15 . 1 1 45 45 LEU H H 45 7.482 7.482 8.023 -0.541 18485 8919 1 15 . 1 1 46 46 GLU N N 46 121.177 121.177 122.739 -1.562 18485 8920 1 15 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.193 0.270 18485 8921 1 15 . 1 1 46 46 GLU C C 46 176.135 176.135 175.187 0.948 18485 8922 1 15 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.734 -0.210 18485 8923 1 15 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.421 -0.188 18485 8924 1 15 . 1 1 46 46 GLU H H 46 8.250 8.250 8.587 -0.337 18485 8925 1 15 . 1 1 47 47 TYR N N 47 119.617 119.617 119.901 -0.284 18485 8926 1 15 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.251 0.047 18485 8927 1 15 . 1 1 47 47 TYR C C 47 173.798 173.798 174.950 -1.152 18485 8928 1 15 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.184 0.641 18485 8929 1 15 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.311 0.760 18485 8930 1 15 . 1 1 47 47 TYR H H 47 7.874 7.874 7.690 0.184 18485 8931 1 15 . 1 1 48 48 THR N N 48 117.577 117.577 117.545 0.032 18485 8932 1 15 . 1 1 48 48 THR HA H 48 4.266 4.266 4.540 -0.274 18485 8933 1 15 . 1 1 48 48 THR C C 48 171.941 171.941 173.245 -1.304 18485 8934 1 15 . 1 1 48 48 THR CA C 48 62.299 62.299 61.824 0.475 18485 8935 1 15 . 1 1 48 48 THR CB C 48 70.899 70.899 70.913 -0.014 18485 8936 1 15 . 1 1 48 48 THR H H 48 8.549 8.549 8.439 0.110 18485 8937 1 15 . 1 1 49 49 SER N N 49 121.488 121.488 120.545 0.943 18485 8938 1 15 . 1 1 49 49 SER HA H 49 5.516 5.516 5.104 0.412 18485 8939 1 15 . 1 1 49 49 SER C C 49 173.691 173.691 173.231 0.460 18485 8940 1 15 . 1 1 49 49 SER CA C 49 55.758 55.758 56.796 -1.038 18485 8941 1 15 . 1 1 49 49 SER CB C 49 66.386 66.386 64.613 1.773 18485 8942 1 15 . 1 1 49 49 SER H H 49 8.536 8.536 8.430 0.106 18485 8943 1 15 . 1 1 50 50 PHE N N 50 124.791 124.791 123.879 0.912 18485 8944 1 15 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.652 0.063 18485 8945 1 15 . 1 1 50 50 PHE C C 50 173.608 173.608 174.123 -0.515 18485 8946 1 15 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.268 0.071 18485 8947 1 15 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.579 0.950 18485 8948 1 15 . 1 1 50 50 PHE H H 50 8.627 8.627 8.824 -0.197 18485 8949 1 15 . 1 1 51 51 ASP N N 51 120.606 120.606 123.307 -2.701 18485 8950 1 15 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.341 0.029 18485 8951 1 15 . 1 1 51 51 ASP C C 51 178.779 178.779 177.864 0.915 18485 8952 1 15 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.137 0.097 18485 8953 1 15 . 1 1 51 51 ASP CB C 51 42.175 42.175 42.067 0.108 18485 8954 1 15 . 1 1 51 51 ASP H H 51 8.415 8.415 8.803 -0.388 18485 8955 1 15 . 1 1 52 52 VAL N N 52 119.623 119.623 123.528 -3.905 18485 8956 1 15 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.111 -0.005 18485 8957 1 15 . 1 1 52 52 VAL C C 52 176.682 176.682 175.503 1.179 18485 8958 1 15 . 1 1 52 52 VAL CA C 52 63.327 63.327 63.742 -0.416 18485 8959 1 15 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.692 0.082 18485 8960 1 15 . 1 1 52 52 VAL H H 52 9.307 9.307 8.640 0.666 18485 8961 1 15 . 1 1 53 53 LEU N N 53 118.392 118.392 119.115 -0.723 18485 8962 1 15 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.387 -0.129 18485 8963 1 15 . 1 1 53 53 LEU C C 53 179.153 179.153 178.118 1.035 18485 8964 1 15 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.915 -0.152 18485 8965 1 15 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.662 -0.627 18485 8966 1 15 . 1 1 53 53 LEU H H 53 9.008 9.008 8.376 0.632 18485 8967 1 15 . 1 1 54 54 ALA N N 54 119.577 119.577 121.943 -2.366 18485 8968 1 15 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.259 -0.019 18485 8969 1 15 . 1 1 54 54 ALA C C 54 177.657 177.657 177.403 0.254 18485 8970 1 15 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.224 0.165 18485 8971 1 15 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.399 -0.280 18485 8972 1 15 . 1 1 54 54 ALA H H 54 7.304 7.304 7.574 -0.270 18485 8973 1 15 . 1 1 55 55 HIS N N 55 114.383 114.383 115.957 -1.574 18485 8974 1 15 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.869 0.255 18485 8975 1 15 . 1 1 55 55 HIS C C 55 174.238 174.238 173.194 1.044 18485 8976 1 15 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.788 -0.695 18485 8977 1 15 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.454 1.335 18485 8978 1 15 . 1 1 55 55 HIS H H 55 6.894 6.894 7.928 -1.034 18485 8979 1 15 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.335 -0.009 18485 8980 1 15 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.383 -0.121 18485 8981 1 15 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.485 -0.444 18485 8982 1 15 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.629 0.358 18485 8983 1 15 . 1 1 57 57 VAL C C 57 177.804 177.804 177.910 -0.106 18485 8984 1 15 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.353 -1.026 18485 8985 1 15 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.741 -0.520 18485 8986 1 15 . 1 1 57 57 VAL H H 57 9.778 9.778 7.773 2.005 18485 8987 1 15 . 1 1 58 58 VAL N N 58 120.641 120.641 118.259 2.382 18485 8988 1 15 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.735 -0.203 18485 8989 1 15 . 1 1 58 58 VAL C C 58 177.270 177.270 177.947 -0.677 18485 8990 1 15 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.174 -0.264 18485 8991 1 15 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.301 0.121 18485 8992 1 15 . 1 1 58 58 VAL H H 58 7.540 7.540 7.963 -0.423 18485 8993 1 15 . 1 1 59 59 ARG N N 59 118.263 118.263 119.287 -1.024 18485 8994 1 15 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.104 -0.190 18485 8995 1 15 . 1 1 59 59 ARG C C 59 178.579 178.579 178.637 -0.058 18485 8996 1 15 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.517 0.461 18485 8997 1 15 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.562 0.390 18485 8998 1 15 . 1 1 59 59 ARG H H 59 7.536 7.536 7.604 -0.068 18485 8999 1 15 . 1 1 60 60 SER N N 60 113.091 113.091 116.716 -3.625 18485 9000 1 15 . 1 1 60 60 SER HA H 60 4.161 4.161 4.167 -0.006 18485 9001 1 15 . 1 1 60 60 SER C C 60 175.761 175.761 176.517 -0.756 18485 9002 1 15 . 1 1 60 60 SER CA C 60 61.435 61.435 62.496 -1.061 18485 9003 1 15 . 1 1 60 60 SER CB C 60 62.721 62.721 63.011 -0.290 18485 9004 1 15 . 1 1 60 60 SER H H 60 8.204 8.204 8.721 -0.517 18485 9005 1 15 . 1 1 61 61 TYR N N 61 123.436 123.436 123.085 0.351 18485 9006 1 15 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.077 -0.195 18485 9007 1 15 . 1 1 61 61 TYR C C 61 177.731 177.731 177.179 0.552 18485 9008 1 15 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.225 -0.197 18485 9009 1 15 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.337 0.818 18485 9010 1 15 . 1 1 61 61 TYR H H 61 8.024 8.024 7.809 0.215 18485 9011 1 15 . 1 1 62 62 VAL N N 62 115.253 115.253 115.604 -0.351 18485 9012 1 15 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.602 -0.073 18485 9013 1 15 . 1 1 62 62 VAL C C 62 176.990 176.990 177.605 -0.615 18485 9014 1 15 . 1 1 62 62 VAL CA C 62 65.224 65.224 65.143 0.081 18485 9015 1 15 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.531 0.905 18485 9016 1 15 . 1 1 62 62 VAL H H 62 7.754 7.754 7.321 0.433 18485 9017 1 15 . 1 1 63 63 LYS N N 63 117.543 117.543 120.261 -2.718 18485 9018 1 15 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.154 -0.125 18485 9019 1 15 . 1 1 63 63 LYS C C 63 177.549 177.549 179.229 -1.680 18485 9020 1 15 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.837 -0.509 18485 9021 1 15 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.532 0.230 18485 9022 1 15 . 1 1 63 63 LYS H H 63 7.367 7.367 8.126 -0.759 18485 9023 1 15 . 1 1 64 64 GLU N N 64 116.093 116.093 116.203 -0.110 18485 9024 1 15 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.333 -0.219 18485 9025 1 15 . 1 1 64 64 GLU C C 64 177.547 177.547 177.817 -0.270 18485 9026 1 15 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.340 0.165 18485 9027 1 15 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.035 -0.658 18485 9028 1 15 . 1 1 64 64 GLU H H 64 7.701 7.701 8.269 -0.568 18485 9029 1 15 . 1 1 65 65 VAL N N 65 116.739 116.739 117.473 -0.734 18485 9030 1 15 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.956 -0.121 18485 9031 1 15 . 1 1 65 65 VAL C C 65 176.335 176.335 176.634 -0.299 18485 9032 1 15 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.303 0.193 18485 9033 1 15 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.284 -0.041 18485 9034 1 15 . 1 1 65 65 VAL H H 65 7.608 7.608 7.712 -0.104 18485 9035 1 15 . 1 1 66 66 SER N N 66 114.353 114.353 116.090 -1.737 18485 9036 1 15 . 1 1 66 66 SER HA H 66 4.230 4.230 4.230 -0.000 18485 9037 1 15 . 1 1 66 66 SER C C 66 174.345 174.345 174.783 -0.438 18485 9038 1 15 . 1 1 66 66 SER CA C 66 58.038 58.038 60.062 -2.024 18485 9039 1 15 . 1 1 66 66 SER CB C 66 63.898 63.898 63.354 0.544 18485 9040 1 15 . 1 1 66 66 SER H H 66 7.526 7.526 7.949 -0.423 18485 9041 1 15 . 1 1 67 67 GLU N N 67 121.681 121.681 115.639 6.042 18485 9042 1 15 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.059 -0.194 18485 9043 1 15 . 1 1 67 67 GLU C C 67 175.748 175.748 175.121 0.627 18485 9044 1 15 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.406 0.439 18485 9045 1 15 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.676 1.704 18485 9046 1 15 . 1 1 67 67 GLU H H 67 7.966 7.966 7.875 0.091 18485 9047 1 15 . 1 1 68 68 TRP N N 68 119.264 119.264 120.866 -1.602 18485 9048 1 15 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.878 0.057 18485 9049 1 15 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.463 -0.607 18485 9050 1 15 . 1 1 68 68 TRP CB C 68 30.717 30.717 30.775 -0.058 18485 9051 1 15 . 1 1 68 68 TRP H H 68 7.633 7.633 7.673 -0.040 18485 9052 1 15 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.361 0.081 18485 9053 1 15 . 1 1 69 69 PRO C C 69 176.375 176.375 176.124 0.251 18485 9054 1 15 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.005 -0.438 18485 9055 1 15 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.904 -0.391 18485 9056 1 15 . 1 1 70 70 THR N N 70 114.312 114.312 114.691 -0.379 18485 9057 1 15 . 1 1 70 70 THR HA H 70 4.344 4.344 4.357 -0.013 18485 9058 1 15 . 1 1 70 70 THR C C 70 172.275 172.275 173.572 -1.297 18485 9059 1 15 . 1 1 70 70 THR CA C 70 61.465 61.465 62.167 -0.702 18485 9060 1 15 . 1 1 70 70 THR CB C 70 70.433 70.433 69.967 0.466 18485 9061 1 15 . 1 1 70 70 THR H H 70 7.162 7.162 7.479 -0.317 18485 9062 1 15 . 1 1 71 71 ILE N N 71 123.770 123.770 121.941 1.829 18485 9063 1 15 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.574 -0.072 18485 9064 1 15 . 1 1 71 71 ILE C C 71 175.106 175.106 174.441 0.665 18485 9065 1 15 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.806 -2.051 18485 9066 1 15 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.242 0.835 18485 9067 1 15 . 1 1 71 71 ILE H H 71 8.398 8.398 8.410 -0.012 18485 9068 1 15 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.905 0.653 18485 9069 1 15 . 1 1 72 72 PRO C C 72 175.507 175.507 175.512 -0.005 18485 9070 1 15 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.631 -0.193 18485 9071 1 15 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.440 4.216 18485 9072 1 15 . 1 1 73 73 GLN N N 73 112.013 112.013 115.556 -3.543 18485 9073 1 15 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.356 -0.264 18485 9074 1 15 . 1 1 73 73 GLN C C 73 174.559 174.559 174.663 -0.104 18485 9075 1 15 . 1 1 73 73 GLN CA C 73 55.529 55.529 55.010 0.519 18485 9076 1 15 . 1 1 73 73 GLN CB C 73 34.440 34.440 34.016 0.424 18485 9077 1 15 . 1 1 73 73 GLN H H 73 8.521 8.521 8.837 -0.316 18485 9078 1 15 . 1 1 74 74 LEU N N 74 124.684 124.684 121.850 2.834 18485 9079 1 15 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.246 0.086 18485 9080 1 15 . 1 1 74 74 LEU C C 74 172.761 172.761 174.307 -1.546 18485 9081 1 15 . 1 1 74 74 LEU CA C 74 54.555 54.555 54.054 0.501 18485 9082 1 15 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.275 0.768 18485 9083 1 15 . 1 1 74 74 LEU H H 74 8.266 8.266 8.487 -0.221 18485 9084 1 15 . 1 1 75 75 PHE N N 75 126.827 126.827 123.894 2.933 18485 9085 1 15 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.478 -0.235 18485 9086 1 15 . 1 1 75 75 PHE C C 75 174.813 174.813 174.579 0.234 18485 9087 1 15 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.428 0.640 18485 9088 1 15 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.806 -1.157 18485 9089 1 15 . 1 1 75 75 PHE H H 75 9.692 9.692 9.424 0.268 18485 9090 1 15 . 1 1 76 76 ILE N N 76 118.421 118.421 122.181 -3.760 18485 9091 1 15 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.815 0.288 18485 9092 1 15 . 1 1 76 76 ILE C C 76 176.242 176.242 176.298 -0.056 18485 9093 1 15 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.335 -0.142 18485 9094 1 15 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.072 0.453 18485 9095 1 15 . 1 1 76 76 ILE H H 76 8.612 8.612 9.302 -0.690 18485 9096 1 15 . 1 1 77 77 LYS N N 77 129.856 129.856 125.128 4.728 18485 9097 1 15 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.907 0.285 18485 9098 1 15 . 1 1 77 77 LYS C C 77 175.887 175.887 175.999 -0.112 18485 9099 1 15 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.174 -0.573 18485 9100 1 15 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.414 1.185 18485 9101 1 15 . 1 1 77 77 LYS H H 77 10.357 10.357 9.221 1.136 18485 9102 1 15 . 1 1 78 78 ALA N N 78 114.323 114.323 116.679 -2.356 18485 9103 1 15 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.132 -0.294 18485 9104 1 15 . 1 1 78 78 ALA C C 78 175.949 175.949 175.851 0.098 18485 9105 1 15 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.306 0.212 18485 9106 1 15 . 1 1 78 78 ALA CB C 78 18.235 18.235 17.744 0.491 18485 9107 1 15 . 1 1 78 78 ALA H H 78 9.554 9.554 8.543 1.011 18485 9108 1 15 . 1 1 79 79 GLU N N 79 120.498 120.498 117.850 2.648 18485 9109 1 15 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.809 -0.045 18485 9110 1 15 . 1 1 79 79 GLU C C 79 175.200 175.200 174.470 0.730 18485 9111 1 15 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.064 0.707 18485 9112 1 15 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.956 -0.954 18485 9113 1 15 . 1 1 79 79 GLU H H 79 8.219 8.219 7.869 0.350 18485 9114 1 15 . 1 1 80 80 PHE N N 80 125.962 125.962 125.530 0.432 18485 9115 1 15 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.616 -0.224 18485 9116 1 15 . 1 1 80 80 PHE C C 80 175.280 175.280 174.480 0.800 18485 9117 1 15 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.745 -0.486 18485 9118 1 15 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.210 -0.662 18485 9119 1 15 . 1 1 80 80 PHE H H 80 8.935 8.935 8.812 0.123 18485 9120 1 15 . 1 1 81 81 VAL N N 81 128.637 128.637 124.931 3.706 18485 9121 1 15 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.740 0.029 18485 9122 1 15 . 1 1 81 81 VAL C C 81 174.733 174.733 174.947 -0.214 18485 9123 1 15 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.350 0.689 18485 9124 1 15 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.089 -0.451 18485 9125 1 15 . 1 1 81 81 VAL H H 81 8.288 8.288 8.002 0.286 18485 9126 1 15 . 1 1 82 82 GLY N N 82 100.310 100.310 103.885 -3.575 18485 9127 1 15 . 1 1 82 82 GLY C C 82 172.515 172.515 172.221 0.294 18485 9128 1 15 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.092 1.128 18485 9129 1 15 . 1 1 82 82 GLY H H 82 5.816 5.816 6.299 -0.483 18485 9130 1 15 . 1 1 83 83 GLY N N 83 104.342 104.342 105.689 -1.347 18485 9131 1 15 . 1 1 83 83 GLY C C 83 173.758 173.758 174.661 -0.903 18485 9132 1 15 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.694 0.129 18485 9133 1 15 . 1 1 83 83 GLY H H 83 7.401 7.401 8.261 -0.860 18485 9134 1 15 . 1 1 84 84 LEU N N 84 118.350 118.350 121.755 -3.405 18485 9135 1 15 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.207 -0.426 18485 9136 1 15 . 1 1 84 84 LEU C C 84 178.245 178.245 178.543 -0.298 18485 9137 1 15 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.732 0.522 18485 9138 1 15 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.644 0.958 18485 9139 1 15 . 1 1 84 84 LEU H H 84 8.807 8.807 8.794 0.013 18485 9140 1 15 . 1 1 85 85 ASP N N 85 118.373 118.373 117.912 0.461 18485 9141 1 15 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.412 -0.146 18485 9142 1 15 . 1 1 85 85 ASP C C 85 178.296 178.296 178.138 0.158 18485 9143 1 15 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.166 0.446 18485 9144 1 15 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.401 -0.902 18485 9145 1 15 . 1 1 85 85 ASP H H 85 8.697 8.697 8.670 0.027 18485 9146 1 15 . 1 1 86 86 ILE N N 86 120.495 120.495 119.652 0.843 18485 9147 1 15 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.959 -0.113 18485 9148 1 15 . 1 1 86 86 ILE C C 86 177.657 177.657 178.116 -0.459 18485 9149 1 15 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.634 -0.776 18485 9150 1 15 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.035 0.478 18485 9151 1 15 . 1 1 86 86 ILE H H 86 7.605 7.605 7.567 0.038 18485 9152 1 15 . 1 1 87 87 VAL N N 87 120.596 120.596 120.730 -0.134 18485 9153 1 15 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.644 -0.337 18485 9154 1 15 . 1 1 87 87 VAL C C 87 177.629 177.629 177.735 -0.106 18485 9155 1 15 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.605 1.106 18485 9156 1 15 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.141 0.524 18485 9157 1 15 . 1 1 87 87 VAL H H 87 7.934 7.934 8.301 -0.367 18485 9158 1 15 . 1 1 88 88 THR N N 88 112.971 112.971 113.301 -0.330 18485 9159 1 15 . 1 1 88 88 THR HA H 88 3.822 3.822 4.053 -0.231 18485 9160 1 15 . 1 1 88 88 THR C C 88 176.896 176.896 176.698 0.198 18485 9161 1 15 . 1 1 88 88 THR CA C 88 66.898 66.898 66.403 0.496 18485 9162 1 15 . 1 1 88 88 THR CB C 88 68.370 68.370 68.312 0.058 18485 9163 1 15 . 1 1 88 88 THR H H 88 8.719 8.719 7.739 0.980 18485 9164 1 15 . 1 1 89 89 LYS N N 89 123.633 123.633 122.850 0.783 18485 9165 1 15 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.001 0.148 18485 9166 1 15 . 1 1 89 89 LYS C C 89 179.648 179.648 179.042 0.606 18485 9167 1 15 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.652 -0.026 18485 9168 1 15 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.920 0.168 18485 9169 1 15 . 1 1 89 89 LYS H H 89 7.568 7.568 8.428 -0.861 18485 9170 1 15 . 1 1 90 90 MET N N 90 118.147 118.147 118.923 -0.776 18485 9171 1 15 . 1 1 90 90 MET HA H 90 4.333 4.333 4.127 0.206 18485 9172 1 15 . 1 1 90 90 MET C C 90 179.634 179.634 178.916 0.718 18485 9173 1 15 . 1 1 90 90 MET CA C 90 58.590 58.590 59.171 -0.581 18485 9174 1 15 . 1 1 90 90 MET CB C 90 34.033 34.033 32.576 1.457 18485 9175 1 15 . 1 1 90 90 MET H H 90 8.520 8.520 8.470 0.050 18485 9176 1 15 . 1 1 91 91 LEU N N 91 124.789 124.789 121.686 3.103 18485 9177 1 15 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.951 0.249 18485 9178 1 15 . 1 1 91 91 LEU C C 91 179.696 179.696 179.148 0.548 18485 9179 1 15 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.890 0.191 18485 9180 1 15 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.858 0.003 18485 9181 1 15 . 1 1 91 91 LEU H H 91 8.792 8.792 8.250 0.542 18485 9182 1 15 . 1 1 92 92 GLU N N 92 118.965 118.965 119.536 -0.571 18485 9183 1 15 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.021 -0.004 18485 9184 1 15 . 1 1 92 92 GLU C C 92 178.352 178.352 178.358 -0.006 18485 9185 1 15 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.025 0.053 18485 9186 1 15 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.591 0.100 18485 9187 1 15 . 1 1 92 92 GLU H H 92 7.999 7.999 8.484 -0.485 18485 9188 1 15 . 1 1 93 93 SER N N 93 111.381 111.381 112.362 -0.981 18485 9189 1 15 . 1 1 93 93 SER HA H 93 4.406 4.406 4.313 0.093 18485 9190 1 15 . 1 1 93 93 SER C C 93 175.948 175.948 175.422 0.526 18485 9191 1 15 . 1 1 93 93 SER CA C 93 59.192 59.192 59.529 -0.337 18485 9192 1 15 . 1 1 93 93 SER CB C 93 64.227 64.227 63.657 0.570 18485 9193 1 15 . 1 1 93 93 SER H H 93 8.270 8.270 8.248 0.022 18485 9194 1 15 . 1 1 94 94 GLY N N 94 109.172 109.172 108.210 0.962 18485 9195 1 15 . 1 1 94 94 GLY C C 94 174.906 174.906 175.007 -0.101 18485 9196 1 15 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.387 -1.004 18485 9197 1 15 . 1 1 94 94 GLY H H 94 7.406 7.406 7.835 -0.429 18485 9198 1 15 . 1 1 95 95 ASP N N 95 122.640 122.640 121.860 0.780 18485 9199 1 15 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.325 0.154 18485 9200 1 15 . 1 1 95 95 ASP C C 95 178.486 178.486 177.847 0.639 18485 9201 1 15 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.669 -0.418 18485 9202 1 15 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.675 0.695 18485 9203 1 15 . 1 1 95 95 ASP H H 95 8.337 8.337 8.255 0.082 18485 9204 1 15 . 1 1 96 96 LEU N N 96 122.329 122.329 119.928 2.401 18485 9205 1 15 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.106 -0.025 18485 9206 1 15 . 1 1 96 96 LEU C C 96 177.070 177.070 178.087 -1.017 18485 9207 1 15 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.112 -0.152 18485 9208 1 15 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.580 -0.678 18485 9209 1 15 . 1 1 96 96 LEU H H 96 7.992 7.992 7.962 0.030 18485 9210 1 15 . 1 1 97 97 LYS N N 97 118.159 118.159 118.607 -0.448 18485 9211 1 15 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.909 0.012 18485 9212 1 15 . 1 1 97 97 LYS C C 97 178.245 178.245 178.780 -0.535 18485 9213 1 15 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.888 0.212 18485 9214 1 15 . 1 1 97 97 LYS CB C 97 31.928 31.928 32.008 -0.080 18485 9215 1 15 . 1 1 97 97 LYS H H 97 8.254 8.254 7.729 0.525 18485 9216 1 15 . 1 1 98 98 LYS N N 98 117.677 117.677 119.606 -1.929 18485 9217 1 15 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.977 -0.040 18485 9218 1 15 . 1 1 98 98 LYS C C 98 177.471 177.471 178.638 -1.167 18485 9219 1 15 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.558 0.372 18485 9220 1 15 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.336 0.404 18485 9221 1 15 . 1 1 98 98 LYS H H 98 7.388 7.388 8.282 -0.894 18485 9222 1 15 . 1 1 99 99 MET N N 99 119.426 119.426 119.421 0.005 18485 9223 1 15 . 1 1 99 99 MET HA H 99 4.138 4.138 4.149 -0.011 18485 9224 1 15 . 1 1 99 99 MET C C 99 178.018 178.018 178.245 -0.227 18485 9225 1 15 . 1 1 99 99 MET CA C 99 59.151 59.151 58.950 0.201 18485 9226 1 15 . 1 1 99 99 MET CB C 99 32.550 32.550 32.643 -0.093 18485 9227 1 15 . 1 1 99 99 MET H H 99 7.934 7.934 7.692 0.242 18485 9228 1 15 . 1 1 100 100 LEU N N 100 118.006 118.006 118.976 -0.970 18485 9229 1 15 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.872 -0.081 18485 9230 1 15 . 1 1 100 100 LEU C C 100 178.592 178.592 178.870 -0.278 18485 9231 1 15 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.083 0.519 18485 9232 1 15 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.335 -0.635 18485 9233 1 15 . 1 1 100 100 LEU H H 100 8.131 8.131 7.712 0.419 18485 9234 1 15 . 1 1 101 101 ARG N N 101 118.551 118.551 118.323 0.228 18485 9235 1 15 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.997 0.129 18485 9236 1 15 . 1 1 101 101 ARG C C 101 181.117 181.117 178.291 2.826 18485 9237 1 15 . 1 1 101 101 ARG CA C 101 59.277 59.277 59.018 0.259 18485 9238 1 15 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.666 0.126 18485 9239 1 15 . 1 1 101 101 ARG H H 101 8.045 8.045 8.012 0.033 18485 9240 1 15 . 1 1 102 102 ASP N N 102 122.544 122.544 120.479 2.065 18485 9241 1 15 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.523 -0.118 18485 9242 1 15 . 1 1 102 102 ASP C C 102 178.405 178.405 178.316 0.089 18485 9243 1 15 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.642 0.660 18485 9244 1 15 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.013 -0.700 18485 9245 1 15 . 1 1 102 102 ASP H H 102 8.828 8.828 7.846 0.982 18485 9246 1 15 . 1 1 103 103 LYS N N 103 116.177 116.177 117.345 -1.168 18485 9247 1 15 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.331 0.065 18485 9248 1 15 . 1 1 103 103 LYS C C 103 176.282 176.282 176.960 -0.678 18485 9249 1 15 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.613 -0.289 18485 9250 1 15 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.787 -0.072 18485 9251 1 15 . 1 1 103 103 LYS H H 103 7.847 7.847 8.255 -0.408 18485 9252 1 15 . 1 1 104 104 GLY N N 104 108.597 108.597 107.063 1.534 18485 9253 1 15 . 1 1 104 104 GLY C C 104 174.450 174.450 174.780 -0.330 18485 9254 1 15 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.287 1.036 18485 9255 1 15 . 1 1 104 104 GLY H H 104 7.930 7.930 7.727 0.203 18485 9256 1 15 . 1 1 105 105 ILE N N 105 123.232 123.232 120.226 3.006 18485 9257 1 15 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.178 -0.069 18485 9258 1 15 . 1 1 105 105 ILE C C 105 175.374 175.374 176.526 -1.152 18485 9259 1 15 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.976 -0.333 18485 9260 1 15 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.333 -0.645 18485 9261 1 15 . 1 1 105 105 ILE H H 105 8.323 8.323 7.907 0.416 18485 9262 1 15 . 1 1 106 106 THR N N 106 123.522 123.522 123.201 0.321 18485 9263 1 15 . 1 1 106 106 THR HA H 106 4.155 4.155 4.241 -0.086 18485 9264 1 15 . 1 1 106 106 THR C C 106 173.223 173.223 173.466 -0.243 18485 9265 1 15 . 1 1 106 106 THR CA C 106 63.189 63.189 63.657 -0.468 18485 9266 1 15 . 1 1 106 106 THR CB C 106 69.242 69.242 68.230 1.012 18485 9267 1 15 . 1 1 106 106 THR H H 106 8.521 8.521 8.584 -0.063 18485 9268 1 15 . 1 1 107 107 CYS N N 107 120.688 120.688 123.658 -2.970 18485 9269 1 15 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.397 -0.530 18485 9270 1 15 . 1 1 107 107 CYS C C 107 173.798 173.798 173.842 -0.044 18485 9271 1 15 . 1 1 107 107 CYS CA C 107 56.552 56.552 55.992 0.560 18485 9272 1 15 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.054 -0.592 18485 9273 1 15 . 1 1 107 107 CYS H H 107 8.247 8.247 8.153 0.094 18485 9274 1 15 . 1 1 108 108 ARG N N 108 122.349 122.349 120.905 1.444 18485 9275 1 15 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.293 -0.002 18485 9276 1 15 . 1 1 108 108 ARG C C 108 175.547 175.547 176.304 -0.757 18485 9277 1 15 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.643 -0.343 18485 9278 1 15 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.660 0.616 18485 9279 1 15 . 1 1 108 108 ARG H H 108 8.512 8.512 8.441 0.071 18485 9280 1 15 . 1 1 109 109 ASP N N 109 121.453 121.453 120.729 0.724 18485 9281 1 15 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.462 0.163 18485 9282 1 15 . 1 1 109 109 ASP C C 109 174.973 174.973 176.433 -1.460 18485 9283 1 15 . 1 1 109 109 ASP CA C 109 54.239 54.239 54.780 -0.541 18485 9284 1 15 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.937 0.019 18485 9285 1 15 . 1 1 109 109 ASP H H 109 8.399 8.399 8.354 0.045 18485 9286 1 16 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.400 0.012 18485 9287 1 16 . 1 1 2 2 ALA C C 2 177.283 177.283 177.410 -0.127 18485 9288 1 16 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.016 0.268 18485 9289 1 16 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.749 -0.245 18485 9290 1 16 . 1 1 3 3 MET N N 3 121.052 121.052 123.785 -2.733 18485 9291 1 16 . 1 1 3 3 MET HA H 3 4.458 4.458 4.532 -0.074 18485 9292 1 16 . 1 1 3 3 MET C C 3 175.185 175.185 176.022 -0.837 18485 9293 1 16 . 1 1 3 3 MET CA C 3 56.001 56.001 55.332 0.669 18485 9294 1 16 . 1 1 3 3 MET CB C 3 34.282 34.282 32.949 1.333 18485 9295 1 16 . 1 1 3 3 MET H H 3 8.313 8.313 8.329 -0.016 18485 9296 1 16 . 1 1 4 4 VAL N N 4 116.976 116.976 120.923 -3.947 18485 9297 1 16 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.708 -0.066 18485 9298 1 16 . 1 1 4 4 VAL C C 4 176.976 176.976 176.584 0.392 18485 9299 1 16 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.287 0.465 18485 9300 1 16 . 1 1 4 4 VAL CB C 4 34.878 34.878 33.974 0.904 18485 9301 1 16 . 1 1 4 4 VAL H H 4 8.432 8.432 8.293 0.139 18485 9302 1 16 . 1 1 5 5 LYS N N 5 123.795 123.795 123.197 0.598 18485 9303 1 16 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.085 -0.499 18485 9304 1 16 . 1 1 5 5 LYS C C 5 178.205 178.205 178.329 -0.124 18485 9305 1 16 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.925 1.137 18485 9306 1 16 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.125 0.098 18485 9307 1 16 . 1 1 5 5 LYS H H 5 8.725 8.725 8.800 -0.075 18485 9308 1 16 . 1 1 6 6 LYS N N 6 117.559 117.559 118.242 -0.683 18485 9309 1 16 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.076 -0.002 18485 9310 1 16 . 1 1 6 6 LYS C C 6 176.976 176.976 178.247 -1.271 18485 9311 1 16 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.516 -0.497 18485 9312 1 16 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.042 0.616 18485 9313 1 16 . 1 1 6 6 LYS H H 6 8.395 8.395 8.419 -0.024 18485 9314 1 16 . 1 1 7 7 ASP N N 7 116.710 116.710 119.153 -2.443 18485 9315 1 16 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.520 -0.156 18485 9316 1 16 . 1 1 7 7 ASP C C 7 179.180 179.180 178.361 0.819 18485 9317 1 16 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.300 0.110 18485 9318 1 16 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.784 0.091 18485 9319 1 16 . 1 1 7 7 ASP H H 7 7.415 7.415 8.079 -0.664 18485 9320 1 16 . 1 1 8 8 ILE N N 8 120.990 120.990 120.456 0.534 18485 9321 1 16 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.427 -0.150 18485 9322 1 16 . 1 1 8 8 ILE C C 8 177.537 177.537 177.426 0.111 18485 9323 1 16 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.849 -0.289 18485 9324 1 16 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.345 -0.276 18485 9325 1 16 . 1 1 8 8 ILE H H 8 7.302 7.302 7.408 -0.106 18485 9326 1 16 . 1 1 9 9 ASP N N 9 120.214 120.214 120.701 -0.487 18485 9327 1 16 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.464 -0.257 18485 9328 1 16 . 1 1 9 9 ASP C C 9 178.564 178.564 178.606 -0.042 18485 9329 1 16 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.466 0.542 18485 9330 1 16 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.058 0.824 18485 9331 1 16 . 1 1 9 9 ASP H H 9 7.884 7.884 8.218 -0.334 18485 9332 1 16 . 1 1 10 10 ASP N N 10 117.314 117.314 118.283 -0.969 18485 9333 1 16 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.506 -0.182 18485 9334 1 16 . 1 1 10 10 ASP C C 10 179.340 179.340 178.439 0.901 18485 9335 1 16 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.114 0.072 18485 9336 1 16 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.510 -0.597 18485 9337 1 16 . 1 1 10 10 ASP H H 10 8.856 8.856 8.441 0.415 18485 9338 1 16 . 1 1 11 11 THR N N 11 119.032 119.032 116.679 2.353 18485 9339 1 16 . 1 1 11 11 THR HA H 11 4.061 4.061 4.142 -0.081 18485 9340 1 16 . 1 1 11 11 THR C C 11 175.574 175.574 176.318 -0.744 18485 9341 1 16 . 1 1 11 11 THR CA C 11 67.210 67.210 66.243 0.967 18485 9342 1 16 . 1 1 11 11 THR CB C 11 68.319 68.319 68.757 -0.438 18485 9343 1 16 . 1 1 11 11 THR H H 11 7.670 7.670 7.690 -0.020 18485 9344 1 16 . 1 1 12 12 ILE N N 12 122.228 122.228 121.462 0.766 18485 9345 1 16 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.770 -0.131 18485 9346 1 16 . 1 1 12 12 ILE C C 12 177.455 177.455 177.362 0.093 18485 9347 1 16 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.116 -0.207 18485 9348 1 16 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.173 0.404 18485 9349 1 16 . 1 1 12 12 ILE H H 12 8.303 8.303 8.638 -0.335 18485 9350 1 16 . 1 1 13 13 LYS N N 13 114.462 114.462 116.223 -1.761 18485 9351 1 16 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.283 -0.149 18485 9352 1 16 . 1 1 13 13 LYS C C 13 177.547 177.547 177.570 -0.023 18485 9353 1 16 . 1 1 13 13 LYS CA C 13 58.400 58.400 57.384 1.016 18485 9354 1 16 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.790 0.216 18485 9355 1 16 . 1 1 13 13 LYS H H 13 7.709 7.709 7.471 0.238 18485 9356 1 16 . 1 1 14 14 SER N N 14 112.642 112.642 112.129 0.513 18485 9357 1 16 . 1 1 14 14 SER HA H 14 4.551 4.551 4.534 0.017 18485 9358 1 16 . 1 1 14 14 SER C C 14 174.532 174.532 174.664 -0.132 18485 9359 1 16 . 1 1 14 14 SER CA C 14 59.744 59.744 59.236 0.508 18485 9360 1 16 . 1 1 14 14 SER CB C 14 65.009 65.009 64.632 0.377 18485 9361 1 16 . 1 1 14 14 SER H H 14 7.749 7.749 7.605 0.144 18485 9362 1 16 . 1 1 15 15 GLU N N 15 121.266 121.266 121.043 0.223 18485 9363 1 16 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.436 0.128 18485 9364 1 16 . 1 1 15 15 GLU C C 15 176.789 176.789 175.699 1.090 18485 9365 1 16 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.667 -1.222 18485 9366 1 16 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.741 -0.414 18485 9367 1 16 . 1 1 15 15 GLU H H 15 8.101 8.101 8.032 0.069 18485 9368 1 16 . 1 1 16 16 ASP N N 16 122.253 122.253 120.624 1.629 18485 9369 1 16 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.740 -0.400 18485 9370 1 16 . 1 1 16 16 ASP C C 16 176.469 176.469 175.650 0.819 18485 9371 1 16 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.349 2.410 18485 9372 1 16 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.315 -1.497 18485 9373 1 16 . 1 1 16 16 ASP H H 16 8.685 8.685 8.813 -0.128 18485 9374 1 16 . 1 1 17 17 VAL N N 17 118.536 118.536 119.426 -0.890 18485 9375 1 16 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.841 0.074 18485 9376 1 16 . 1 1 17 17 VAL C C 17 174.452 174.452 174.158 0.294 18485 9377 1 16 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.437 0.466 18485 9378 1 16 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.470 -0.093 18485 9379 1 16 . 1 1 17 17 VAL H H 17 8.547 8.547 7.783 0.764 18485 9380 1 16 . 1 1 18 18 VAL N N 18 125.917 125.917 127.401 -1.484 18485 9381 1 16 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.212 0.043 18485 9382 1 16 . 1 1 18 18 VAL C C 18 174.158 174.158 174.497 -0.339 18485 9383 1 16 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.424 -0.322 18485 9384 1 16 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.277 -0.222 18485 9385 1 16 . 1 1 18 18 VAL H H 18 8.755 8.755 9.004 -0.249 18485 9386 1 16 . 1 1 19 19 THR N N 19 120.107 120.107 119.807 0.300 18485 9387 1 16 . 1 1 19 19 THR HA H 19 5.795 5.795 5.192 0.603 18485 9388 1 16 . 1 1 19 19 THR C C 19 171.126 171.126 172.591 -1.465 18485 9389 1 16 . 1 1 19 19 THR CA C 19 58.118 58.118 60.145 -2.027 18485 9390 1 16 . 1 1 19 19 THR CB C 19 72.547 72.547 71.303 1.244 18485 9391 1 16 . 1 1 19 19 THR H H 19 8.938 8.938 8.519 0.419 18485 9392 1 16 . 1 1 20 20 PHE N N 20 125.287 125.287 126.463 -1.176 18485 9393 1 16 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.646 -0.142 18485 9394 1 16 . 1 1 20 20 PHE C C 20 175.200 175.200 175.391 -0.191 18485 9395 1 16 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.873 -0.375 18485 9396 1 16 . 1 1 20 20 PHE CB C 20 41.661 41.661 40.545 1.116 18485 9397 1 16 . 1 1 20 20 PHE H H 20 8.230 8.230 8.821 -0.591 18485 9398 1 16 . 1 1 21 21 ILE N N 21 114.660 114.660 116.758 -2.098 18485 9399 1 16 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.904 -0.092 18485 9400 1 16 . 1 1 21 21 ILE C C 21 173.918 173.918 174.189 -0.271 18485 9401 1 16 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.067 0.296 18485 9402 1 16 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.659 1.161 18485 9403 1 16 . 1 1 21 21 ILE H H 21 9.042 9.042 9.388 -0.346 18485 9404 1 16 . 1 1 22 22 LYS N N 22 117.197 117.197 122.711 -5.514 18485 9405 1 16 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.570 0.033 18485 9406 1 16 . 1 1 22 22 LYS C C 22 175.935 175.935 175.594 0.341 18485 9407 1 16 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.669 1.029 18485 9408 1 16 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.529 1.664 18485 9409 1 16 . 1 1 22 22 LYS H H 22 8.581 8.581 8.582 -0.001 18485 9410 1 16 . 1 1 23 23 GLY N N 23 117.108 117.108 108.015 9.093 18485 9411 1 16 . 1 1 23 23 GLY C C 23 170.793 170.793 172.209 -1.416 18485 9412 1 16 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.688 -0.051 18485 9413 1 16 . 1 1 23 23 GLY H H 23 9.178 9.178 7.560 1.618 18485 9414 1 16 . 1 1 24 24 LEU N N 24 117.859 117.859 120.669 -2.810 18485 9415 1 16 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.573 0.287 18485 9416 1 16 . 1 1 24 24 LEU C C 24 176.709 176.709 176.072 0.637 18485 9417 1 16 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.199 -1.249 18485 9418 1 16 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.779 1.229 18485 9419 1 16 . 1 1 24 24 LEU H H 24 7.162 7.162 8.412 -1.250 18485 9420 1 16 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.501 -0.548 18485 9421 1 16 . 1 1 25 25 PRO C C 25 177.190 177.190 177.013 0.177 18485 9422 1 16 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.509 1.813 18485 9423 1 16 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.308 -0.584 18485 9424 1 16 . 1 1 26 26 GLU N N 26 111.260 111.260 116.342 -5.082 18485 9425 1 16 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.221 -0.016 18485 9426 1 16 . 1 1 26 26 GLU C C 26 176.429 176.429 176.515 -0.086 18485 9427 1 16 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.232 -0.489 18485 9428 1 16 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.467 -0.769 18485 9429 1 16 . 1 1 26 26 GLU H H 26 8.807 8.807 8.349 0.458 18485 9430 1 16 . 1 1 27 27 ALA N N 27 122.547 122.547 123.249 -0.702 18485 9431 1 16 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.664 -0.077 18485 9432 1 16 . 1 1 27 27 ALA C C 27 172.342 172.342 174.794 -2.452 18485 9433 1 16 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.901 0.983 18485 9434 1 16 . 1 1 27 27 ALA CB C 27 18.695 18.695 19.027 -0.333 18485 9435 1 16 . 1 1 27 27 ALA H H 27 7.856 7.856 7.351 0.505 18485 9436 1 16 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.522 0.120 18485 9437 1 16 . 1 1 28 28 PRO C C 28 178.512 178.512 176.359 2.153 18485 9438 1 16 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.814 0.292 18485 9439 1 16 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.507 -0.442 18485 9440 1 16 . 1 1 29 29 MET N N 29 119.426 119.426 119.796 -0.370 18485 9441 1 16 . 1 1 29 29 MET HA H 29 4.758 4.758 4.513 0.245 18485 9442 1 16 . 1 1 29 29 MET C C 29 175.374 175.374 176.560 -1.186 18485 9443 1 16 . 1 1 29 29 MET CA C 29 54.594 54.594 57.279 -2.685 18485 9444 1 16 . 1 1 29 29 MET CB C 29 33.036 33.036 33.361 -0.325 18485 9445 1 16 . 1 1 29 29 MET H H 29 8.828 8.828 8.660 0.168 18485 9446 1 16 . 1 1 30 30 CYS N N 30 116.089 116.089 118.150 -2.061 18485 9447 1 16 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.684 0.168 18485 9448 1 16 . 1 1 30 30 CYS C C 30 176.028 176.028 175.118 0.910 18485 9449 1 16 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.733 0.992 18485 9450 1 16 . 1 1 30 30 CYS CB C 30 33.259 33.259 30.792 2.467 18485 9451 1 16 . 1 1 30 30 CYS H H 30 7.455 7.455 7.651 -0.196 18485 9452 1 16 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.902 0.178 18485 9453 1 16 . 1 1 31 31 ALA C C 31 180.222 180.222 178.723 1.499 18485 9454 1 16 . 1 1 31 31 ALA CA C 31 54.694 54.694 55.172 -0.478 18485 9455 1 16 . 1 1 31 31 ALA CB C 31 18.681 18.681 17.667 1.014 18485 9456 1 16 . 1 1 32 32 TYR N N 32 121.972 121.972 116.867 5.105 18485 9457 1 16 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.315 0.018 18485 9458 1 16 . 1 1 32 32 TYR C C 32 178.673 178.673 178.447 0.226 18485 9459 1 16 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.450 -0.521 18485 9460 1 16 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.603 -0.566 18485 9461 1 16 . 1 1 32 32 TYR H H 32 8.846 8.846 8.182 0.664 18485 9462 1 16 . 1 1 33 33 SER N N 33 125.375 125.375 115.703 9.672 18485 9463 1 16 . 1 1 33 33 SER HA H 33 4.013 4.013 4.213 -0.200 18485 9464 1 16 . 1 1 33 33 SER C C 33 174.906 174.906 176.232 -1.326 18485 9465 1 16 . 1 1 33 33 SER CA C 33 64.417 64.417 62.473 1.944 18485 9466 1 16 . 1 1 33 33 SER CB C 33 62.687 62.687 62.538 0.149 18485 9467 1 16 . 1 1 33 33 SER H H 33 10.272 10.272 7.921 2.351 18485 9468 1 16 . 1 1 34 34 LYS N N 34 121.216 121.216 122.847 -1.631 18485 9469 1 16 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.005 -0.152 18485 9470 1 16 . 1 1 34 34 LYS C C 34 177.083 177.083 178.521 -1.438 18485 9471 1 16 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.795 0.868 18485 9472 1 16 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.312 -0.162 18485 9473 1 16 . 1 1 34 34 LYS H H 34 8.024 8.024 7.989 0.035 18485 9474 1 16 . 1 1 35 35 ARG N N 35 117.269 117.269 119.035 -1.766 18485 9475 1 16 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.106 0.043 18485 9476 1 16 . 1 1 35 35 ARG C C 35 178.058 178.058 178.879 -0.821 18485 9477 1 16 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.184 0.792 18485 9478 1 16 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.596 0.116 18485 9479 1 16 . 1 1 35 35 ARG H H 35 7.559 7.559 8.220 -0.661 18485 9480 1 16 . 1 1 36 36 MET N N 36 117.954 117.954 118.249 -0.295 18485 9481 1 16 . 1 1 36 36 MET HA H 36 4.068 4.068 4.227 -0.159 18485 9482 1 16 . 1 1 36 36 MET C C 36 176.963 176.963 178.510 -1.547 18485 9483 1 16 . 1 1 36 36 MET CA C 36 58.195 58.195 58.020 0.175 18485 9484 1 16 . 1 1 36 36 MET CB C 36 31.742 31.742 32.321 -0.579 18485 9485 1 16 . 1 1 36 36 MET H H 36 8.027 8.027 8.198 -0.171 18485 9486 1 16 . 1 1 37 37 ILE N N 37 118.650 118.650 118.840 -0.190 18485 9487 1 16 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.562 -0.042 18485 9488 1 16 . 1 1 37 37 ILE C C 37 177.631 177.631 177.592 0.039 18485 9489 1 16 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.482 -1.609 18485 9490 1 16 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.104 -0.932 18485 9491 1 16 . 1 1 37 37 ILE H H 37 7.825 7.825 7.589 0.236 18485 9492 1 16 . 1 1 38 38 ASP N N 38 119.229 119.229 119.295 -0.066 18485 9493 1 16 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.436 -0.106 18485 9494 1 16 . 1 1 38 38 ASP C C 38 180.208 180.208 178.100 2.108 18485 9495 1 16 . 1 1 38 38 ASP CA C 38 57.530 57.530 56.887 0.643 18485 9496 1 16 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.856 -0.886 18485 9497 1 16 . 1 1 38 38 ASP H H 38 8.629 8.629 8.261 0.368 18485 9498 1 16 . 1 1 39 39 VAL N N 39 121.475 121.475 118.920 2.555 18485 9499 1 16 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.840 -0.265 18485 9500 1 16 . 1 1 39 39 VAL C C 39 177.056 177.056 177.458 -0.402 18485 9501 1 16 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.435 1.375 18485 9502 1 16 . 1 1 39 39 VAL CB C 39 31.495 31.495 32.038 -0.542 18485 9503 1 16 . 1 1 39 39 VAL H H 39 7.879 7.879 7.624 0.255 18485 9504 1 16 . 1 1 40 40 LEU N N 40 118.145 118.145 119.679 -1.534 18485 9505 1 16 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.947 -0.173 18485 9506 1 16 . 1 1 40 40 LEU C C 40 179.794 179.794 179.091 0.703 18485 9507 1 16 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.073 0.091 18485 9508 1 16 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.080 -0.483 18485 9509 1 16 . 1 1 40 40 LEU H H 40 7.574 7.574 7.464 0.110 18485 9510 1 16 . 1 1 41 41 GLU N N 41 116.305 116.305 119.124 -2.819 18485 9511 1 16 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.159 0.138 18485 9512 1 16 . 1 1 41 41 GLU C C 41 181.117 181.117 179.459 1.658 18485 9513 1 16 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.279 -0.727 18485 9514 1 16 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.295 -0.174 18485 9515 1 16 . 1 1 41 41 GLU H H 41 8.871 8.871 8.721 0.150 18485 9516 1 16 . 1 1 42 42 ALA N N 42 124.797 124.797 120.982 3.815 18485 9517 1 16 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.185 -0.020 18485 9518 1 16 . 1 1 42 42 ALA C C 42 180.275 180.275 179.015 1.260 18485 9519 1 16 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.371 0.609 18485 9520 1 16 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.366 -0.707 18485 9521 1 16 . 1 1 42 42 ALA H H 42 8.285 8.285 7.876 0.409 18485 9522 1 16 . 1 1 43 43 LEU N N 43 115.767 115.767 115.518 0.249 18485 9523 1 16 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.412 -0.163 18485 9524 1 16 . 1 1 43 43 LEU C C 43 177.177 177.177 176.791 0.386 18485 9525 1 16 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.065 1.341 18485 9526 1 16 . 1 1 43 43 LEU CB C 43 43.483 43.483 41.987 1.496 18485 9527 1 16 . 1 1 43 43 LEU H H 43 7.528 7.528 7.586 -0.058 18485 9528 1 16 . 1 1 44 44 GLY N N 44 108.593 108.593 107.511 1.082 18485 9529 1 16 . 1 1 44 44 GLY C C 44 175.011 175.011 174.902 0.109 18485 9530 1 16 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.522 0.820 18485 9531 1 16 . 1 1 44 44 GLY H H 44 7.927 7.927 7.840 0.087 18485 9532 1 16 . 1 1 45 45 LEU N N 45 117.269 117.269 118.823 -1.554 18485 9533 1 16 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.597 -0.145 18485 9534 1 16 . 1 1 45 45 LEU C C 45 176.976 176.976 176.951 0.025 18485 9535 1 16 . 1 1 45 45 LEU CA C 45 54.400 54.400 54.046 0.354 18485 9536 1 16 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.776 -0.060 18485 9537 1 16 . 1 1 45 45 LEU H H 45 7.482 7.482 7.926 -0.444 18485 9538 1 16 . 1 1 46 46 GLU N N 46 121.177 121.177 121.416 -0.239 18485 9539 1 16 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.365 0.098 18485 9540 1 16 . 1 1 46 46 GLU C C 46 176.135 176.135 175.293 0.842 18485 9541 1 16 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.633 -0.109 18485 9542 1 16 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.400 -0.167 18485 9543 1 16 . 1 1 46 46 GLU H H 46 8.250 8.250 8.716 -0.466 18485 9544 1 16 . 1 1 47 47 TYR N N 47 119.617 119.617 119.676 -0.059 18485 9545 1 16 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.278 0.020 18485 9546 1 16 . 1 1 47 47 TYR C C 47 173.798 173.798 174.804 -1.006 18485 9547 1 16 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.515 0.309 18485 9548 1 16 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.261 0.810 18485 9549 1 16 . 1 1 47 47 TYR H H 47 7.874 7.874 7.795 0.079 18485 9550 1 16 . 1 1 48 48 THR N N 48 117.577 117.577 118.216 -0.639 18485 9551 1 16 . 1 1 48 48 THR HA H 48 4.266 4.266 4.490 -0.224 18485 9552 1 16 . 1 1 48 48 THR C C 48 171.941 171.941 173.002 -1.061 18485 9553 1 16 . 1 1 48 48 THR CA C 48 62.299 62.299 61.448 0.851 18485 9554 1 16 . 1 1 48 48 THR CB C 48 70.899 70.899 70.596 0.304 18485 9555 1 16 . 1 1 48 48 THR H H 48 8.549 8.549 8.469 0.080 18485 9556 1 16 . 1 1 49 49 SER N N 49 121.488 121.488 120.785 0.703 18485 9557 1 16 . 1 1 49 49 SER HA H 49 5.516 5.516 5.009 0.507 18485 9558 1 16 . 1 1 49 49 SER C C 49 173.691 173.691 173.270 0.421 18485 9559 1 16 . 1 1 49 49 SER CA C 49 55.758 55.758 56.946 -1.188 18485 9560 1 16 . 1 1 49 49 SER CB C 49 66.386 66.386 64.405 1.981 18485 9561 1 16 . 1 1 49 49 SER H H 49 8.536 8.536 8.477 0.059 18485 9562 1 16 . 1 1 50 50 PHE N N 50 124.791 124.791 124.600 0.191 18485 9563 1 16 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.665 0.050 18485 9564 1 16 . 1 1 50 50 PHE C C 50 173.608 173.608 174.068 -0.460 18485 9565 1 16 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.834 0.505 18485 9566 1 16 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.998 1.532 18485 9567 1 16 . 1 1 50 50 PHE H H 50 8.627 8.627 9.066 -0.439 18485 9568 1 16 . 1 1 51 51 ASP N N 51 120.606 120.606 124.762 -4.156 18485 9569 1 16 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.505 -0.135 18485 9570 1 16 . 1 1 51 51 ASP C C 51 178.779 178.779 177.918 0.861 18485 9571 1 16 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.328 -0.093 18485 9572 1 16 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.278 0.897 18485 9573 1 16 . 1 1 51 51 ASP H H 51 8.415 8.415 8.815 -0.400 18485 9574 1 16 . 1 1 52 52 VAL N N 52 119.623 119.623 119.065 0.558 18485 9575 1 16 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.084 0.022 18485 9576 1 16 . 1 1 52 52 VAL C C 52 176.682 176.682 176.369 0.313 18485 9577 1 16 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.333 -1.006 18485 9578 1 16 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.870 -0.096 18485 9579 1 16 . 1 1 52 52 VAL H H 52 9.307 9.307 8.271 1.036 18485 9580 1 16 . 1 1 53 53 LEU N N 53 118.392 118.392 119.098 -0.706 18485 9581 1 16 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.389 -0.131 18485 9582 1 16 . 1 1 53 53 LEU C C 53 179.153 179.153 177.445 1.708 18485 9583 1 16 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.803 -0.040 18485 9584 1 16 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.455 -0.420 18485 9585 1 16 . 1 1 53 53 LEU H H 53 9.008 9.008 8.045 0.963 18485 9586 1 16 . 1 1 54 54 ALA N N 54 119.577 119.577 120.184 -0.607 18485 9587 1 16 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.482 -0.242 18485 9588 1 16 . 1 1 54 54 ALA C C 54 177.657 177.657 176.854 0.803 18485 9589 1 16 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.661 0.727 18485 9590 1 16 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.996 -0.877 18485 9591 1 16 . 1 1 54 54 ALA H H 54 7.304 7.304 7.599 -0.295 18485 9592 1 16 . 1 1 55 55 HIS N N 55 114.383 114.383 117.482 -3.099 18485 9593 1 16 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.813 0.311 18485 9594 1 16 . 1 1 55 55 HIS C C 55 174.238 174.238 173.080 1.158 18485 9595 1 16 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.526 -0.432 18485 9596 1 16 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.850 0.939 18485 9597 1 16 . 1 1 55 55 HIS H H 55 6.894 6.894 7.915 -1.021 18485 9598 1 16 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.262 0.064 18485 9599 1 16 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.224 0.038 18485 9600 1 16 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.460 -0.419 18485 9601 1 16 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.692 0.295 18485 9602 1 16 . 1 1 57 57 VAL C C 57 177.804 177.804 178.264 -0.460 18485 9603 1 16 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.051 -0.724 18485 9604 1 16 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.610 -0.389 18485 9605 1 16 . 1 1 57 57 VAL H H 57 9.778 9.778 7.741 2.037 18485 9606 1 16 . 1 1 58 58 VAL N N 58 120.641 120.641 119.238 1.403 18485 9607 1 16 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.707 -0.175 18485 9608 1 16 . 1 1 58 58 VAL C C 58 177.270 177.270 177.911 -0.641 18485 9609 1 16 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.342 -0.432 18485 9610 1 16 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.279 0.143 18485 9611 1 16 . 1 1 58 58 VAL H H 58 7.540 7.540 7.706 -0.166 18485 9612 1 16 . 1 1 59 59 ARG N N 59 118.263 118.263 119.081 -0.818 18485 9613 1 16 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.095 -0.181 18485 9614 1 16 . 1 1 59 59 ARG C C 59 178.579 178.579 178.541 0.038 18485 9615 1 16 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.437 0.542 18485 9616 1 16 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.464 0.488 18485 9617 1 16 . 1 1 59 59 ARG H H 59 7.536 7.536 7.630 -0.094 18485 9618 1 16 . 1 1 60 60 SER N N 60 113.091 113.091 117.852 -4.761 18485 9619 1 16 . 1 1 60 60 SER HA H 60 4.161 4.161 4.105 0.056 18485 9620 1 16 . 1 1 60 60 SER C C 60 175.761 175.761 176.088 -0.327 18485 9621 1 16 . 1 1 60 60 SER CA C 60 61.435 61.435 62.291 -0.856 18485 9622 1 16 . 1 1 60 60 SER CB C 60 62.721 62.721 63.282 -0.561 18485 9623 1 16 . 1 1 60 60 SER H H 60 8.204 8.204 8.511 -0.307 18485 9624 1 16 . 1 1 61 61 TYR N N 61 123.436 123.436 122.939 0.497 18485 9625 1 16 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.018 -0.136 18485 9626 1 16 . 1 1 61 61 TYR C C 61 177.731 177.731 177.144 0.587 18485 9627 1 16 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.866 0.162 18485 9628 1 16 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.417 0.738 18485 9629 1 16 . 1 1 61 61 TYR H H 61 8.024 8.024 8.396 -0.372 18485 9630 1 16 . 1 1 62 62 VAL N N 62 115.253 115.253 119.296 -4.043 18485 9631 1 16 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.310 0.219 18485 9632 1 16 . 1 1 62 62 VAL C C 62 176.990 176.990 178.028 -1.038 18485 9633 1 16 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.142 -0.918 18485 9634 1 16 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.396 0.040 18485 9635 1 16 . 1 1 62 62 VAL H H 62 7.754 7.754 7.647 0.107 18485 9636 1 16 . 1 1 63 63 LYS N N 63 117.543 117.543 118.897 -1.354 18485 9637 1 16 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.984 0.045 18485 9638 1 16 . 1 1 63 63 LYS C C 63 177.549 177.549 179.374 -1.825 18485 9639 1 16 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.867 -0.540 18485 9640 1 16 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.131 0.630 18485 9641 1 16 . 1 1 63 63 LYS H H 63 7.367 7.367 7.666 -0.299 18485 9642 1 16 . 1 1 64 64 GLU N N 64 116.093 116.093 116.427 -0.334 18485 9643 1 16 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.187 -0.073 18485 9644 1 16 . 1 1 64 64 GLU C C 64 177.547 177.547 177.865 -0.318 18485 9645 1 16 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.313 -0.808 18485 9646 1 16 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.508 -0.131 18485 9647 1 16 . 1 1 64 64 GLU H H 64 7.701 7.701 8.113 -0.412 18485 9648 1 16 . 1 1 65 65 VAL N N 65 116.739 116.739 117.127 -0.388 18485 9649 1 16 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.987 -0.152 18485 9650 1 16 . 1 1 65 65 VAL C C 65 176.335 176.335 176.431 -0.096 18485 9651 1 16 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.116 0.380 18485 9652 1 16 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.583 -0.340 18485 9653 1 16 . 1 1 65 65 VAL H H 65 7.608 7.608 7.960 -0.352 18485 9654 1 16 . 1 1 66 66 SER N N 66 114.353 114.353 115.244 -0.891 18485 9655 1 16 . 1 1 66 66 SER HA H 66 4.230 4.230 4.362 -0.132 18485 9656 1 16 . 1 1 66 66 SER C C 66 174.345 174.345 175.355 -1.010 18485 9657 1 16 . 1 1 66 66 SER CA C 66 58.038 58.038 59.990 -1.952 18485 9658 1 16 . 1 1 66 66 SER CB C 66 63.898 63.898 63.708 0.190 18485 9659 1 16 . 1 1 66 66 SER H H 66 7.526 7.526 7.597 -0.071 18485 9660 1 16 . 1 1 67 67 GLU N N 67 121.681 121.681 115.166 6.515 18485 9661 1 16 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.059 -0.194 18485 9662 1 16 . 1 1 67 67 GLU C C 67 175.748 175.748 175.266 0.482 18485 9663 1 16 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.528 0.317 18485 9664 1 16 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.878 1.502 18485 9665 1 16 . 1 1 67 67 GLU H H 67 7.966 7.966 8.222 -0.256 18485 9666 1 16 . 1 1 68 68 TRP N N 68 119.264 119.264 120.448 -1.184 18485 9667 1 16 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.652 0.283 18485 9668 1 16 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.764 -0.908 18485 9669 1 16 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.739 0.978 18485 9670 1 16 . 1 1 68 68 TRP H H 68 7.633 7.633 7.736 -0.103 18485 9671 1 16 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.278 0.164 18485 9672 1 16 . 1 1 69 69 PRO C C 69 176.375 176.375 176.095 0.280 18485 9673 1 16 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.063 -0.496 18485 9674 1 16 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.741 -0.227 18485 9675 1 16 . 1 1 70 70 THR N N 70 114.312 114.312 116.301 -1.989 18485 9676 1 16 . 1 1 70 70 THR HA H 70 4.344 4.344 4.204 0.140 18485 9677 1 16 . 1 1 70 70 THR C C 70 172.275 172.275 173.941 -1.666 18485 9678 1 16 . 1 1 70 70 THR CA C 70 61.465 61.465 63.045 -1.580 18485 9679 1 16 . 1 1 70 70 THR CB C 70 70.433 70.433 69.415 1.018 18485 9680 1 16 . 1 1 70 70 THR H H 70 7.162 7.162 7.378 -0.216 18485 9681 1 16 . 1 1 71 71 ILE N N 71 123.770 123.770 125.202 -1.432 18485 9682 1 16 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.558 -0.056 18485 9683 1 16 . 1 1 71 71 ILE C C 71 175.106 175.106 175.220 -0.114 18485 9684 1 16 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.073 -1.318 18485 9685 1 16 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.328 0.749 18485 9686 1 16 . 1 1 71 71 ILE H H 71 8.398 8.398 8.278 0.120 18485 9687 1 16 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.032 0.526 18485 9688 1 16 . 1 1 72 72 PRO C C 72 175.507 175.507 175.957 -0.450 18485 9689 1 16 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.348 0.090 18485 9690 1 16 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.036 4.620 18485 9691 1 16 . 1 1 73 73 GLN N N 73 112.013 112.013 116.234 -4.221 18485 9692 1 16 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.361 -0.269 18485 9693 1 16 . 1 1 73 73 GLN C C 73 174.559 174.559 174.733 -0.174 18485 9694 1 16 . 1 1 73 73 GLN CA C 73 55.529 55.529 55.054 0.475 18485 9695 1 16 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.914 0.526 18485 9696 1 16 . 1 1 73 73 GLN H H 73 8.521 8.521 8.774 -0.253 18485 9697 1 16 . 1 1 74 74 LEU N N 74 124.684 124.684 122.313 2.371 18485 9698 1 16 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.390 -0.058 18485 9699 1 16 . 1 1 74 74 LEU C C 74 172.761 172.761 174.569 -1.808 18485 9700 1 16 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.966 0.589 18485 9701 1 16 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.245 0.798 18485 9702 1 16 . 1 1 74 74 LEU H H 74 8.266 8.266 8.888 -0.622 18485 9703 1 16 . 1 1 75 75 PHE N N 75 126.827 126.827 124.434 2.393 18485 9704 1 16 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.609 -0.366 18485 9705 1 16 . 1 1 75 75 PHE C C 75 174.813 174.813 174.791 0.022 18485 9706 1 16 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.334 0.734 18485 9707 1 16 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.577 -0.928 18485 9708 1 16 . 1 1 75 75 PHE H H 75 9.692 9.692 9.479 0.213 18485 9709 1 16 . 1 1 76 76 ILE N N 76 118.421 118.421 121.838 -3.417 18485 9710 1 16 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.024 0.079 18485 9711 1 16 . 1 1 76 76 ILE C C 76 176.242 176.242 176.347 -0.105 18485 9712 1 16 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.160 0.033 18485 9713 1 16 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.584 -0.059 18485 9714 1 16 . 1 1 76 76 ILE H H 76 8.612 8.612 9.070 -0.458 18485 9715 1 16 . 1 1 77 77 LYS N N 77 129.856 129.856 126.551 3.305 18485 9716 1 16 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.946 0.246 18485 9717 1 16 . 1 1 77 77 LYS C C 77 175.887 175.887 176.441 -0.554 18485 9718 1 16 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.272 -0.671 18485 9719 1 16 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.499 1.100 18485 9720 1 16 . 1 1 77 77 LYS H H 77 10.357 10.357 9.221 1.136 18485 9721 1 16 . 1 1 78 78 ALA N N 78 114.323 114.323 116.849 -2.526 18485 9722 1 16 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.070 -0.232 18485 9723 1 16 . 1 1 78 78 ALA C C 78 175.949 175.949 176.319 -0.370 18485 9724 1 16 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.681 -0.163 18485 9725 1 16 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.316 -0.081 18485 9726 1 16 . 1 1 78 78 ALA H H 78 9.554 9.554 8.792 0.762 18485 9727 1 16 . 1 1 79 79 GLU N N 79 120.498 120.498 118.649 1.849 18485 9728 1 16 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.797 -0.033 18485 9729 1 16 . 1 1 79 79 GLU C C 79 175.200 175.200 175.114 0.086 18485 9730 1 16 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.103 0.668 18485 9731 1 16 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.692 -0.690 18485 9732 1 16 . 1 1 79 79 GLU H H 79 8.219 8.219 7.828 0.391 18485 9733 1 16 . 1 1 80 80 PHE N N 80 125.962 125.962 125.357 0.605 18485 9734 1 16 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.176 0.216 18485 9735 1 16 . 1 1 80 80 PHE C C 80 175.280 175.280 174.648 0.632 18485 9736 1 16 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.418 -0.159 18485 9737 1 16 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.784 -0.236 18485 9738 1 16 . 1 1 80 80 PHE H H 80 8.935 8.935 8.767 0.168 18485 9739 1 16 . 1 1 81 81 VAL N N 81 128.637 128.637 126.450 2.187 18485 9740 1 16 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.828 -0.059 18485 9741 1 16 . 1 1 81 81 VAL C C 81 174.733 174.733 175.235 -0.502 18485 9742 1 16 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.048 0.991 18485 9743 1 16 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.545 -0.907 18485 9744 1 16 . 1 1 81 81 VAL H H 81 8.288 8.288 8.277 0.011 18485 9745 1 16 . 1 1 82 82 GLY N N 82 100.310 100.310 104.706 -4.396 18485 9746 1 16 . 1 1 82 82 GLY C C 82 172.515 172.515 172.432 0.083 18485 9747 1 16 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.086 1.134 18485 9748 1 16 . 1 1 82 82 GLY H H 82 5.816 5.816 6.683 -0.867 18485 9749 1 16 . 1 1 83 83 GLY N N 83 104.342 104.342 105.765 -1.423 18485 9750 1 16 . 1 1 83 83 GLY C C 83 173.758 173.758 174.812 -1.054 18485 9751 1 16 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.564 0.259 18485 9752 1 16 . 1 1 83 83 GLY H H 83 7.401 7.401 8.189 -0.788 18485 9753 1 16 . 1 1 84 84 LEU N N 84 118.350 118.350 121.583 -3.233 18485 9754 1 16 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.134 -0.353 18485 9755 1 16 . 1 1 84 84 LEU C C 84 178.245 178.245 178.310 -0.065 18485 9756 1 16 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.748 0.506 18485 9757 1 16 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.606 0.996 18485 9758 1 16 . 1 1 84 84 LEU H H 84 8.807 8.807 8.908 -0.101 18485 9759 1 16 . 1 1 85 85 ASP N N 85 118.373 118.373 117.847 0.526 18485 9760 1 16 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.373 -0.107 18485 9761 1 16 . 1 1 85 85 ASP C C 85 178.296 178.296 178.066 0.230 18485 9762 1 16 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.216 0.396 18485 9763 1 16 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.373 -0.874 18485 9764 1 16 . 1 1 85 85 ASP H H 85 8.697 8.697 8.611 0.086 18485 9765 1 16 . 1 1 86 86 ILE N N 86 120.495 120.495 119.720 0.775 18485 9766 1 16 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.892 -0.046 18485 9767 1 16 . 1 1 86 86 ILE C C 86 177.657 177.657 178.136 -0.479 18485 9768 1 16 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.434 -0.576 18485 9769 1 16 . 1 1 86 86 ILE CB C 86 37.513 37.513 36.906 0.607 18485 9770 1 16 . 1 1 86 86 ILE H H 86 7.605 7.605 7.486 0.119 18485 9771 1 16 . 1 1 87 87 VAL N N 87 120.596 120.596 119.947 0.649 18485 9772 1 16 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.671 -0.364 18485 9773 1 16 . 1 1 87 87 VAL C C 87 177.629 177.629 177.126 0.503 18485 9774 1 16 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.821 0.890 18485 9775 1 16 . 1 1 87 87 VAL CB C 87 31.665 31.665 31.642 0.023 18485 9776 1 16 . 1 1 87 87 VAL H H 87 7.934 7.934 8.294 -0.360 18485 9777 1 16 . 1 1 88 88 THR N N 88 112.971 112.971 113.165 -0.194 18485 9778 1 16 . 1 1 88 88 THR HA H 88 3.822 3.822 4.052 -0.230 18485 9779 1 16 . 1 1 88 88 THR C C 88 176.896 176.896 176.684 0.212 18485 9780 1 16 . 1 1 88 88 THR CA C 88 66.898 66.898 66.075 0.823 18485 9781 1 16 . 1 1 88 88 THR CB C 88 68.370 68.370 68.464 -0.094 18485 9782 1 16 . 1 1 88 88 THR H H 88 8.719 8.719 7.609 1.110 18485 9783 1 16 . 1 1 89 89 LYS N N 89 123.633 123.633 122.562 1.071 18485 9784 1 16 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.182 -0.033 18485 9785 1 16 . 1 1 89 89 LYS C C 89 179.648 179.648 179.184 0.464 18485 9786 1 16 . 1 1 89 89 LYS CA C 89 59.626 59.626 58.483 1.143 18485 9787 1 16 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.525 0.563 18485 9788 1 16 . 1 1 89 89 LYS H H 89 7.568 7.568 8.416 -0.848 18485 9789 1 16 . 1 1 90 90 MET N N 90 118.147 118.147 119.067 -0.920 18485 9790 1 16 . 1 1 90 90 MET HA H 90 4.333 4.333 4.138 0.195 18485 9791 1 16 . 1 1 90 90 MET C C 90 179.634 179.634 178.975 0.659 18485 9792 1 16 . 1 1 90 90 MET CA C 90 58.590 58.590 59.069 -0.479 18485 9793 1 16 . 1 1 90 90 MET CB C 90 34.033 34.033 32.426 1.607 18485 9794 1 16 . 1 1 90 90 MET H H 90 8.520 8.520 8.509 0.011 18485 9795 1 16 . 1 1 91 91 LEU N N 91 124.789 124.789 121.962 2.827 18485 9796 1 16 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.965 0.235 18485 9797 1 16 . 1 1 91 91 LEU C C 91 179.696 179.696 178.983 0.713 18485 9798 1 16 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.950 0.131 18485 9799 1 16 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.829 0.032 18485 9800 1 16 . 1 1 91 91 LEU H H 91 8.792 8.792 7.991 0.801 18485 9801 1 16 . 1 1 92 92 GLU N N 92 118.965 118.965 120.069 -1.104 18485 9802 1 16 . 1 1 92 92 GLU HA H 92 4.017 4.017 3.989 0.028 18485 9803 1 16 . 1 1 92 92 GLU C C 92 178.352 178.352 178.483 -0.131 18485 9804 1 16 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.270 -0.192 18485 9805 1 16 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.593 0.098 18485 9806 1 16 . 1 1 92 92 GLU H H 92 7.999 7.999 8.579 -0.580 18485 9807 1 16 . 1 1 93 93 SER N N 93 111.381 111.381 112.827 -1.446 18485 9808 1 16 . 1 1 93 93 SER HA H 93 4.406 4.406 4.413 -0.007 18485 9809 1 16 . 1 1 93 93 SER C C 93 175.948 175.948 175.418 0.530 18485 9810 1 16 . 1 1 93 93 SER CA C 93 59.192 59.192 59.256 -0.064 18485 9811 1 16 . 1 1 93 93 SER CB C 93 64.227 64.227 63.362 0.865 18485 9812 1 16 . 1 1 93 93 SER H H 93 8.270 8.270 8.053 0.217 18485 9813 1 16 . 1 1 94 94 GLY N N 94 109.172 109.172 109.886 -0.714 18485 9814 1 16 . 1 1 94 94 GLY C C 94 174.906 174.906 175.242 -0.336 18485 9815 1 16 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.784 -1.401 18485 9816 1 16 . 1 1 94 94 GLY H H 94 7.406 7.406 8.393 -0.987 18485 9817 1 16 . 1 1 95 95 ASP N N 95 122.640 122.640 122.716 -0.076 18485 9818 1 16 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.405 0.074 18485 9819 1 16 . 1 1 95 95 ASP C C 95 178.486 178.486 177.778 0.708 18485 9820 1 16 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.915 0.336 18485 9821 1 16 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.749 0.621 18485 9822 1 16 . 1 1 95 95 ASP H H 95 8.337 8.337 7.733 0.604 18485 9823 1 16 . 1 1 96 96 LEU N N 96 122.329 122.329 119.556 2.773 18485 9824 1 16 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.090 -0.009 18485 9825 1 16 . 1 1 96 96 LEU C C 96 177.070 177.070 178.473 -1.403 18485 9826 1 16 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.286 -0.326 18485 9827 1 16 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.508 -0.606 18485 9828 1 16 . 1 1 96 96 LEU H H 96 7.992 7.992 7.857 0.135 18485 9829 1 16 . 1 1 97 97 LYS N N 97 118.159 118.159 117.730 0.429 18485 9830 1 16 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.961 -0.040 18485 9831 1 16 . 1 1 97 97 LYS C C 97 178.245 178.245 179.222 -0.977 18485 9832 1 16 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.421 0.679 18485 9833 1 16 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.931 -0.003 18485 9834 1 16 . 1 1 97 97 LYS H H 97 8.254 8.254 7.771 0.483 18485 9835 1 16 . 1 1 98 98 LYS N N 98 117.677 117.677 120.272 -2.595 18485 9836 1 16 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.109 -0.172 18485 9837 1 16 . 1 1 98 98 LYS C C 98 177.471 177.471 178.583 -1.112 18485 9838 1 16 . 1 1 98 98 LYS CA C 98 59.930 59.930 58.544 1.387 18485 9839 1 16 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.403 0.337 18485 9840 1 16 . 1 1 98 98 LYS H H 98 7.388 7.388 8.048 -0.660 18485 9841 1 16 . 1 1 99 99 MET N N 99 119.426 119.426 119.566 -0.140 18485 9842 1 16 . 1 1 99 99 MET HA H 99 4.138 4.138 4.106 0.032 18485 9843 1 16 . 1 1 99 99 MET C C 99 178.018 178.018 178.331 -0.313 18485 9844 1 16 . 1 1 99 99 MET CA C 99 59.151 59.151 59.388 -0.237 18485 9845 1 16 . 1 1 99 99 MET CB C 99 32.550 32.550 32.452 0.098 18485 9846 1 16 . 1 1 99 99 MET H H 99 7.934 7.934 8.063 -0.129 18485 9847 1 16 . 1 1 100 100 LEU N N 100 118.006 118.006 118.604 -0.598 18485 9848 1 16 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.880 -0.089 18485 9849 1 16 . 1 1 100 100 LEU C C 100 178.592 178.592 178.736 -0.144 18485 9850 1 16 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.181 0.421 18485 9851 1 16 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.217 -0.517 18485 9852 1 16 . 1 1 100 100 LEU H H 100 8.131 8.131 7.674 0.457 18485 9853 1 16 . 1 1 101 101 ARG N N 101 118.551 118.551 117.888 0.663 18485 9854 1 16 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.014 0.112 18485 9855 1 16 . 1 1 101 101 ARG C C 101 181.117 181.117 178.306 2.811 18485 9856 1 16 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.773 0.504 18485 9857 1 16 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.427 0.365 18485 9858 1 16 . 1 1 101 101 ARG H H 101 8.045 8.045 7.453 0.592 18485 9859 1 16 . 1 1 102 102 ASP N N 102 122.544 122.544 120.602 1.942 18485 9860 1 16 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.466 -0.061 18485 9861 1 16 . 1 1 102 102 ASP C C 102 178.405 178.405 177.984 0.421 18485 9862 1 16 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.643 0.659 18485 9863 1 16 . 1 1 102 102 ASP CB C 102 40.313 40.313 41.074 -0.761 18485 9864 1 16 . 1 1 102 102 ASP H H 102 8.828 8.828 8.200 0.628 18485 9865 1 16 . 1 1 103 103 LYS N N 103 116.177 116.177 117.688 -1.511 18485 9866 1 16 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.396 -0.000 18485 9867 1 16 . 1 1 103 103 LYS C C 103 176.282 176.282 176.231 0.051 18485 9868 1 16 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.107 0.217 18485 9869 1 16 . 1 1 103 103 LYS CB C 103 32.715 32.715 33.026 -0.311 18485 9870 1 16 . 1 1 103 103 LYS H H 103 7.847 7.847 8.086 -0.239 18485 9871 1 16 . 1 1 104 104 GLY N N 104 108.597 108.597 107.248 1.349 18485 9872 1 16 . 1 1 104 104 GLY C C 104 174.450 174.450 174.584 -0.134 18485 9873 1 16 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.289 1.034 18485 9874 1 16 . 1 1 104 104 GLY H H 104 7.930 7.930 7.536 0.394 18485 9875 1 16 . 1 1 105 105 ILE N N 105 123.232 123.232 119.406 3.826 18485 9876 1 16 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.288 -0.179 18485 9877 1 16 . 1 1 105 105 ILE C C 105 175.374 175.374 175.947 -0.573 18485 9878 1 16 . 1 1 105 105 ILE CA C 105 60.643 60.643 59.819 0.824 18485 9879 1 16 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.334 -0.646 18485 9880 1 16 . 1 1 105 105 ILE H H 105 8.323 8.323 8.180 0.143 18485 9881 1 16 . 1 1 106 106 THR N N 106 123.522 123.522 121.254 2.268 18485 9882 1 16 . 1 1 106 106 THR HA H 106 4.155 4.155 4.297 -0.142 18485 9883 1 16 . 1 1 106 106 THR C C 106 173.223 173.223 173.531 -0.308 18485 9884 1 16 . 1 1 106 106 THR CA C 106 63.189 63.189 63.809 -0.620 18485 9885 1 16 . 1 1 106 106 THR CB C 106 69.242 69.242 69.276 -0.034 18485 9886 1 16 . 1 1 106 106 THR H H 106 8.521 8.521 8.463 0.058 18485 9887 1 16 . 1 1 107 107 CYS N N 107 120.688 120.688 121.647 -0.959 18485 9888 1 16 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.202 -0.335 18485 9889 1 16 . 1 1 107 107 CYS C C 107 173.798 173.798 173.403 0.395 18485 9890 1 16 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.262 0.290 18485 9891 1 16 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.593 -1.131 18485 9892 1 16 . 1 1 107 107 CYS H H 107 8.247 8.247 8.024 0.223 18485 9893 1 16 . 1 1 108 108 ARG N N 108 122.349 122.349 120.364 1.985 18485 9894 1 16 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.246 0.045 18485 9895 1 16 . 1 1 108 108 ARG C C 108 175.547 175.547 176.298 -0.751 18485 9896 1 16 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.736 -0.436 18485 9897 1 16 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.751 0.525 18485 9898 1 16 . 1 1 108 108 ARG H H 108 8.512 8.512 8.433 0.079 18485 9899 1 16 . 1 1 109 109 ASP N N 109 121.453 121.453 119.404 2.049 18485 9900 1 16 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.450 0.175 18485 9901 1 16 . 1 1 109 109 ASP C C 109 174.973 174.973 176.876 -1.903 18485 9902 1 16 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.116 -0.877 18485 9903 1 16 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.271 -0.315 18485 9904 1 16 . 1 1 109 109 ASP H H 109 8.399 8.399 8.404 -0.005 18485 9905 1 17 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.545 -0.133 18485 9906 1 17 . 1 1 2 2 ALA C C 2 177.283 177.283 175.568 1.715 18485 9907 1 17 . 1 1 2 2 ALA CA C 2 52.284 52.284 52.001 0.283 18485 9908 1 17 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.504 -1.000 18485 9909 1 17 . 1 1 3 3 MET N N 3 121.052 121.052 123.722 -2.670 18485 9910 1 17 . 1 1 3 3 MET HA H 3 4.458 4.458 4.682 -0.224 18485 9911 1 17 . 1 1 3 3 MET C C 3 175.185 175.185 175.943 -0.758 18485 9912 1 17 . 1 1 3 3 MET CA C 3 56.001 56.001 55.800 0.201 18485 9913 1 17 . 1 1 3 3 MET CB C 3 34.282 34.282 33.203 1.079 18485 9914 1 17 . 1 1 3 3 MET H H 3 8.313 8.313 8.602 -0.289 18485 9915 1 17 . 1 1 4 4 VAL N N 4 116.976 116.976 120.271 -3.295 18485 9916 1 17 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.689 -0.047 18485 9917 1 17 . 1 1 4 4 VAL C C 4 176.976 176.976 176.429 0.547 18485 9918 1 17 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.718 0.034 18485 9919 1 17 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.501 0.377 18485 9920 1 17 . 1 1 4 4 VAL H H 4 8.432 8.432 8.573 -0.141 18485 9921 1 17 . 1 1 5 5 LYS N N 5 123.795 123.795 122.828 0.967 18485 9922 1 17 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.081 -0.495 18485 9923 1 17 . 1 1 5 5 LYS C C 5 178.205 178.205 178.135 0.070 18485 9924 1 17 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.824 1.238 18485 9925 1 17 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.153 0.070 18485 9926 1 17 . 1 1 5 5 LYS H H 5 8.725 8.725 8.756 -0.031 18485 9927 1 17 . 1 1 6 6 LYS N N 6 117.559 117.559 118.656 -1.097 18485 9928 1 17 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.091 -0.017 18485 9929 1 17 . 1 1 6 6 LYS C C 6 176.976 176.976 178.392 -1.416 18485 9930 1 17 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.215 -0.196 18485 9931 1 17 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.114 0.544 18485 9932 1 17 . 1 1 6 6 LYS H H 6 8.395 8.395 8.402 -0.007 18485 9933 1 17 . 1 1 7 7 ASP N N 7 116.710 116.710 119.885 -3.175 18485 9934 1 17 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.399 -0.035 18485 9935 1 17 . 1 1 7 7 ASP C C 7 179.180 179.180 178.566 0.614 18485 9936 1 17 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.678 -0.268 18485 9937 1 17 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.481 0.394 18485 9938 1 17 . 1 1 7 7 ASP H H 7 7.415 7.415 8.021 -0.606 18485 9939 1 17 . 1 1 8 8 ILE N N 8 120.990 120.990 120.022 0.968 18485 9940 1 17 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.474 -0.197 18485 9941 1 17 . 1 1 8 8 ILE C C 8 177.537 177.537 177.744 -0.207 18485 9942 1 17 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.697 -0.137 18485 9943 1 17 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.263 -0.194 18485 9944 1 17 . 1 1 8 8 ILE H H 8 7.302 7.302 7.312 -0.010 18485 9945 1 17 . 1 1 9 9 ASP N N 9 120.214 120.214 120.450 -0.236 18485 9946 1 17 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.451 -0.244 18485 9947 1 17 . 1 1 9 9 ASP C C 9 178.564 178.564 178.547 0.017 18485 9948 1 17 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.291 0.716 18485 9949 1 17 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.010 0.872 18485 9950 1 17 . 1 1 9 9 ASP H H 9 7.884 7.884 7.950 -0.066 18485 9951 1 17 . 1 1 10 10 ASP N N 10 117.314 117.314 118.882 -1.568 18485 9952 1 17 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.516 -0.192 18485 9953 1 17 . 1 1 10 10 ASP C C 10 179.340 179.340 178.269 1.071 18485 9954 1 17 . 1 1 10 10 ASP CA C 10 57.186 57.186 56.804 0.382 18485 9955 1 17 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.112 -1.200 18485 9956 1 17 . 1 1 10 10 ASP H H 10 8.856 8.856 8.243 0.613 18485 9957 1 17 . 1 1 11 11 THR N N 11 119.032 119.032 117.121 1.911 18485 9958 1 17 . 1 1 11 11 THR HA H 11 4.061 4.061 3.964 0.097 18485 9959 1 17 . 1 1 11 11 THR C C 11 175.574 175.574 176.449 -0.875 18485 9960 1 17 . 1 1 11 11 THR CA C 11 67.210 67.210 67.365 -0.155 18485 9961 1 17 . 1 1 11 11 THR CB C 11 68.319 68.319 68.963 -0.644 18485 9962 1 17 . 1 1 11 11 THR H H 11 7.670 7.670 7.940 -0.270 18485 9963 1 17 . 1 1 12 12 ILE N N 12 122.228 122.228 120.952 1.276 18485 9964 1 17 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.701 -0.062 18485 9965 1 17 . 1 1 12 12 ILE C C 12 177.455 177.455 177.513 -0.058 18485 9966 1 17 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.867 0.042 18485 9967 1 17 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.667 -0.089 18485 9968 1 17 . 1 1 12 12 ILE H H 12 8.303 8.303 8.337 -0.034 18485 9969 1 17 . 1 1 13 13 LYS N N 13 114.462 114.462 117.880 -3.418 18485 9970 1 17 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.175 -0.041 18485 9971 1 17 . 1 1 13 13 LYS C C 13 177.547 177.547 177.573 -0.026 18485 9972 1 17 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.578 -0.178 18485 9973 1 17 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.742 0.264 18485 9974 1 17 . 1 1 13 13 LYS H H 13 7.709 7.709 7.548 0.162 18485 9975 1 17 . 1 1 14 14 SER N N 14 112.642 112.642 111.705 0.937 18485 9976 1 17 . 1 1 14 14 SER HA H 14 4.551 4.551 4.583 -0.032 18485 9977 1 17 . 1 1 14 14 SER C C 14 174.532 174.532 174.827 -0.295 18485 9978 1 17 . 1 1 14 14 SER CA C 14 59.744 59.744 58.803 0.941 18485 9979 1 17 . 1 1 14 14 SER CB C 14 65.009 65.009 64.681 0.327 18485 9980 1 17 . 1 1 14 14 SER H H 14 7.749 7.749 7.709 0.040 18485 9981 1 17 . 1 1 15 15 GLU N N 15 121.266 121.266 122.179 -0.913 18485 9982 1 17 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.377 0.187 18485 9983 1 17 . 1 1 15 15 GLU C C 15 176.789 176.789 176.168 0.621 18485 9984 1 17 . 1 1 15 15 GLU CA C 15 54.445 54.445 56.137 -1.692 18485 9985 1 17 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.390 -0.064 18485 9986 1 17 . 1 1 15 15 GLU H H 15 8.101 8.101 7.801 0.300 18485 9987 1 17 . 1 1 16 16 ASP N N 16 122.253 122.253 119.715 2.538 18485 9988 1 17 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.827 -0.487 18485 9989 1 17 . 1 1 16 16 ASP C C 16 176.469 176.469 175.482 0.987 18485 9990 1 17 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.203 2.557 18485 9991 1 17 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.232 -1.414 18485 9992 1 17 . 1 1 16 16 ASP H H 16 8.685 8.685 8.954 -0.269 18485 9993 1 17 . 1 1 17 17 VAL N N 17 118.536 118.536 118.528 0.008 18485 9994 1 17 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.910 0.005 18485 9995 1 17 . 1 1 17 17 VAL C C 17 174.452 174.452 174.149 0.303 18485 9996 1 17 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.639 0.264 18485 9997 1 17 . 1 1 17 17 VAL CB C 17 34.377 34.377 35.075 -0.698 18485 9998 1 17 . 1 1 17 17 VAL H H 17 8.547 8.547 7.828 0.719 18485 9999 1 17 . 1 1 18 18 VAL N N 18 125.917 125.917 127.181 -1.264 18485 10000 1 17 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.256 -0.001 18485 10001 1 17 . 1 1 18 18 VAL C C 18 174.158 174.158 174.539 -0.381 18485 10002 1 17 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.676 -0.574 18485 10003 1 17 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.919 0.136 18485 10004 1 17 . 1 1 18 18 VAL H H 18 8.755 8.755 9.025 -0.270 18485 10005 1 17 . 1 1 19 19 THR N N 19 120.107 120.107 119.266 0.841 18485 10006 1 17 . 1 1 19 19 THR HA H 19 5.795 5.795 5.360 0.435 18485 10007 1 17 . 1 1 19 19 THR C C 19 171.126 171.126 172.808 -1.682 18485 10008 1 17 . 1 1 19 19 THR CA C 19 58.118 58.118 59.485 -1.367 18485 10009 1 17 . 1 1 19 19 THR CB C 19 72.547 72.547 71.431 1.116 18485 10010 1 17 . 1 1 19 19 THR H H 19 8.938 8.938 8.749 0.189 18485 10011 1 17 . 1 1 20 20 PHE N N 20 125.287 125.287 124.492 0.795 18485 10012 1 17 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.599 -0.095 18485 10013 1 17 . 1 1 20 20 PHE C C 20 175.200 175.200 175.288 -0.088 18485 10014 1 17 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.944 -0.446 18485 10015 1 17 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.063 0.598 18485 10016 1 17 . 1 1 20 20 PHE H H 20 8.230 8.230 8.794 -0.564 18485 10017 1 17 . 1 1 21 21 ILE N N 21 114.660 114.660 116.530 -1.870 18485 10018 1 17 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.877 -0.065 18485 10019 1 17 . 1 1 21 21 ILE C C 21 173.918 173.918 173.909 0.009 18485 10020 1 17 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.073 0.290 18485 10021 1 17 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.635 1.185 18485 10022 1 17 . 1 1 21 21 ILE H H 21 9.042 9.042 9.492 -0.450 18485 10023 1 17 . 1 1 22 22 LYS N N 22 117.197 117.197 123.272 -6.075 18485 10024 1 17 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.786 -0.183 18485 10025 1 17 . 1 1 22 22 LYS C C 22 175.935 175.935 175.716 0.219 18485 10026 1 17 . 1 1 22 22 LYS CA C 22 56.698 56.698 54.859 1.839 18485 10027 1 17 . 1 1 22 22 LYS CB C 22 33.193 33.193 32.379 0.814 18485 10028 1 17 . 1 1 22 22 LYS H H 22 8.581 8.581 8.498 0.083 18485 10029 1 17 . 1 1 23 23 GLY N N 23 117.108 117.108 109.254 7.854 18485 10030 1 17 . 1 1 23 23 GLY C C 23 170.793 170.793 172.429 -1.636 18485 10031 1 17 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.875 -0.238 18485 10032 1 17 . 1 1 23 23 GLY H H 23 9.178 9.178 8.070 1.108 18485 10033 1 17 . 1 1 24 24 LEU N N 24 117.859 117.859 121.308 -3.449 18485 10034 1 17 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.645 0.215 18485 10035 1 17 . 1 1 24 24 LEU C C 24 176.709 176.709 176.187 0.522 18485 10036 1 17 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.355 -1.405 18485 10037 1 17 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.374 1.634 18485 10038 1 17 . 1 1 24 24 LEU H H 24 7.162 7.162 8.067 -0.905 18485 10039 1 17 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.486 -0.533 18485 10040 1 17 . 1 1 25 25 PRO C C 25 177.190 177.190 177.596 -0.406 18485 10041 1 17 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.923 1.399 18485 10042 1 17 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.276 -0.552 18485 10043 1 17 . 1 1 26 26 GLU N N 26 111.260 111.260 117.072 -5.812 18485 10044 1 17 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.239 -0.034 18485 10045 1 17 . 1 1 26 26 GLU C C 26 176.429 176.429 176.415 0.014 18485 10046 1 17 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.382 -0.639 18485 10047 1 17 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.313 -0.615 18485 10048 1 17 . 1 1 26 26 GLU H H 26 8.807 8.807 8.315 0.492 18485 10049 1 17 . 1 1 27 27 ALA N N 27 122.547 122.547 123.213 -0.666 18485 10050 1 17 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.606 -0.019 18485 10051 1 17 . 1 1 27 27 ALA C C 27 172.342 172.342 175.060 -2.718 18485 10052 1 17 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.165 0.719 18485 10053 1 17 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.741 -0.046 18485 10054 1 17 . 1 1 27 27 ALA H H 27 7.856 7.856 7.741 0.115 18485 10055 1 17 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.543 0.099 18485 10056 1 17 . 1 1 28 28 PRO C C 28 178.512 178.512 176.460 2.052 18485 10057 1 17 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.767 0.339 18485 10058 1 17 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.675 -0.610 18485 10059 1 17 . 1 1 29 29 MET N N 29 119.426 119.426 119.309 0.117 18485 10060 1 17 . 1 1 29 29 MET HA H 29 4.758 4.758 4.499 0.259 18485 10061 1 17 . 1 1 29 29 MET C C 29 175.374 175.374 176.369 -0.995 18485 10062 1 17 . 1 1 29 29 MET CA C 29 54.594 54.594 56.747 -2.153 18485 10063 1 17 . 1 1 29 29 MET CB C 29 33.036 33.036 32.864 0.172 18485 10064 1 17 . 1 1 29 29 MET H H 29 8.828 8.828 8.654 0.174 18485 10065 1 17 . 1 1 30 30 CYS N N 30 116.089 116.089 118.007 -1.918 18485 10066 1 17 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.610 0.242 18485 10067 1 17 . 1 1 30 30 CYS C C 30 176.028 176.028 174.571 1.457 18485 10068 1 17 . 1 1 30 30 CYS CA C 30 58.725 58.725 58.093 0.632 18485 10069 1 17 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.343 1.916 18485 10070 1 17 . 1 1 30 30 CYS H H 30 7.455 7.455 7.610 -0.155 18485 10071 1 17 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.966 0.114 18485 10072 1 17 . 1 1 31 31 ALA C C 31 180.222 180.222 178.686 1.536 18485 10073 1 17 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.944 -0.251 18485 10074 1 17 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.296 0.385 18485 10075 1 17 . 1 1 32 32 TYR N N 32 121.972 121.972 116.940 5.032 18485 10076 1 17 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.208 0.125 18485 10077 1 17 . 1 1 32 32 TYR C C 32 178.673 178.673 178.230 0.443 18485 10078 1 17 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.441 -1.512 18485 10079 1 17 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.609 -0.572 18485 10080 1 17 . 1 1 32 32 TYR H H 32 8.846 8.846 8.196 0.650 18485 10081 1 17 . 1 1 33 33 SER N N 33 125.375 125.375 115.095 10.280 18485 10082 1 17 . 1 1 33 33 SER HA H 33 4.013 4.013 4.181 -0.168 18485 10083 1 17 . 1 1 33 33 SER C C 33 174.906 174.906 176.318 -1.412 18485 10084 1 17 . 1 1 33 33 SER CA C 33 64.417 64.417 62.716 1.701 18485 10085 1 17 . 1 1 33 33 SER CB C 33 62.687 62.687 62.560 0.127 18485 10086 1 17 . 1 1 33 33 SER H H 33 10.272 10.272 8.097 2.175 18485 10087 1 17 . 1 1 34 34 LYS N N 34 121.216 121.216 122.541 -1.325 18485 10088 1 17 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.006 -0.153 18485 10089 1 17 . 1 1 34 34 LYS C C 34 177.083 177.083 178.694 -1.611 18485 10090 1 17 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.020 0.643 18485 10091 1 17 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.297 -0.147 18485 10092 1 17 . 1 1 34 34 LYS H H 34 8.024 8.024 7.954 0.070 18485 10093 1 17 . 1 1 35 35 ARG N N 35 117.269 117.269 119.211 -1.942 18485 10094 1 17 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.106 0.043 18485 10095 1 17 . 1 1 35 35 ARG C C 35 178.058 178.058 179.037 -0.979 18485 10096 1 17 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.310 0.666 18485 10097 1 17 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.840 -0.128 18485 10098 1 17 . 1 1 35 35 ARG H H 35 7.559 7.559 8.156 -0.597 18485 10099 1 17 . 1 1 36 36 MET N N 36 117.954 117.954 119.724 -1.770 18485 10100 1 17 . 1 1 36 36 MET HA H 36 4.068 4.068 4.127 -0.059 18485 10101 1 17 . 1 1 36 36 MET C C 36 176.963 176.963 177.595 -0.632 18485 10102 1 17 . 1 1 36 36 MET CA C 36 58.195 58.195 59.413 -1.218 18485 10103 1 17 . 1 1 36 36 MET CB C 36 31.742 31.742 32.878 -1.136 18485 10104 1 17 . 1 1 36 36 MET H H 36 8.027 8.027 8.082 -0.055 18485 10105 1 17 . 1 1 37 37 ILE N N 37 118.650 118.650 119.684 -1.034 18485 10106 1 17 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.463 0.057 18485 10107 1 17 . 1 1 37 37 ILE C C 37 177.631 177.631 177.984 -0.353 18485 10108 1 17 . 1 1 37 37 ILE CA C 37 61.873 61.873 64.161 -2.288 18485 10109 1 17 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.513 -1.341 18485 10110 1 17 . 1 1 37 37 ILE H H 37 7.825 7.825 7.718 0.107 18485 10111 1 17 . 1 1 38 38 ASP N N 38 119.229 119.229 119.685 -0.456 18485 10112 1 17 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.357 -0.027 18485 10113 1 17 . 1 1 38 38 ASP C C 38 180.208 180.208 178.733 1.475 18485 10114 1 17 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.757 -0.227 18485 10115 1 17 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.722 -0.752 18485 10116 1 17 . 1 1 38 38 ASP H H 38 8.629 8.629 8.314 0.315 18485 10117 1 17 . 1 1 39 39 VAL N N 39 121.475 121.475 120.316 1.159 18485 10118 1 17 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.692 -0.117 18485 10119 1 17 . 1 1 39 39 VAL C C 39 177.056 177.056 177.733 -0.677 18485 10120 1 17 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.147 0.663 18485 10121 1 17 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.816 -0.321 18485 10122 1 17 . 1 1 39 39 VAL H H 39 7.879 7.879 7.409 0.470 18485 10123 1 17 . 1 1 40 40 LEU N N 40 118.145 118.145 119.230 -1.085 18485 10124 1 17 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.928 -0.154 18485 10125 1 17 . 1 1 40 40 LEU C C 40 179.794 179.794 179.092 0.702 18485 10126 1 17 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.121 0.043 18485 10127 1 17 . 1 1 40 40 LEU CB C 40 40.597 40.597 40.857 -0.260 18485 10128 1 17 . 1 1 40 40 LEU H H 40 7.574 7.574 7.523 0.051 18485 10129 1 17 . 1 1 41 41 GLU N N 41 116.305 116.305 118.366 -2.061 18485 10130 1 17 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.298 -0.001 18485 10131 1 17 . 1 1 41 41 GLU C C 41 181.117 181.117 179.288 1.829 18485 10132 1 17 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.596 -0.044 18485 10133 1 17 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.622 -0.501 18485 10134 1 17 . 1 1 41 41 GLU H H 41 8.871 8.871 8.680 0.191 18485 10135 1 17 . 1 1 42 42 ALA N N 42 124.797 124.797 122.463 2.334 18485 10136 1 17 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.174 -0.009 18485 10137 1 17 . 1 1 42 42 ALA C C 42 180.275 180.275 179.526 0.749 18485 10138 1 17 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.456 0.524 18485 10139 1 17 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.805 -1.146 18485 10140 1 17 . 1 1 42 42 ALA H H 42 8.285 8.285 8.026 0.259 18485 10141 1 17 . 1 1 43 43 LEU N N 43 115.767 115.767 116.359 -0.592 18485 10142 1 17 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.184 0.065 18485 10143 1 17 . 1 1 43 43 LEU C C 43 177.177 177.177 177.376 -0.199 18485 10144 1 17 . 1 1 43 43 LEU CA C 43 55.406 55.406 55.095 0.311 18485 10145 1 17 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.097 1.386 18485 10146 1 17 . 1 1 43 43 LEU H H 43 7.528 7.528 7.776 -0.248 18485 10147 1 17 . 1 1 44 44 GLY N N 44 108.593 108.593 107.139 1.454 18485 10148 1 17 . 1 1 44 44 GLY C C 44 175.011 175.011 174.119 0.892 18485 10149 1 17 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.171 1.170 18485 10150 1 17 . 1 1 44 44 GLY H H 44 7.927 7.927 7.482 0.445 18485 10151 1 17 . 1 1 45 45 LEU N N 45 117.269 117.269 118.936 -1.667 18485 10152 1 17 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.864 -0.412 18485 10153 1 17 . 1 1 45 45 LEU C C 45 176.976 176.976 176.651 0.325 18485 10154 1 17 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.258 1.142 18485 10155 1 17 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.233 -0.517 18485 10156 1 17 . 1 1 45 45 LEU H H 45 7.482 7.482 8.421 -0.939 18485 10157 1 17 . 1 1 46 46 GLU N N 46 121.177 121.177 122.684 -1.507 18485 10158 1 17 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.281 0.182 18485 10159 1 17 . 1 1 46 46 GLU C C 46 176.135 176.135 175.310 0.825 18485 10160 1 17 . 1 1 46 46 GLU CA C 46 55.524 55.524 56.039 -0.515 18485 10161 1 17 . 1 1 46 46 GLU CB C 46 30.233 30.233 29.436 0.797 18485 10162 1 17 . 1 1 46 46 GLU H H 46 8.250 8.250 8.668 -0.418 18485 10163 1 17 . 1 1 47 47 TYR N N 47 119.617 119.617 120.373 -0.756 18485 10164 1 17 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.256 0.042 18485 10165 1 17 . 1 1 47 47 TYR C C 47 173.798 173.798 174.580 -0.782 18485 10166 1 17 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.349 0.475 18485 10167 1 17 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.252 0.819 18485 10168 1 17 . 1 1 47 47 TYR H H 47 7.874 7.874 7.685 0.189 18485 10169 1 17 . 1 1 48 48 THR N N 48 117.577 117.577 118.094 -0.517 18485 10170 1 17 . 1 1 48 48 THR HA H 48 4.266 4.266 4.521 -0.255 18485 10171 1 17 . 1 1 48 48 THR C C 48 171.941 171.941 173.032 -1.091 18485 10172 1 17 . 1 1 48 48 THR CA C 48 62.299 62.299 61.642 0.656 18485 10173 1 17 . 1 1 48 48 THR CB C 48 70.899 70.899 70.677 0.222 18485 10174 1 17 . 1 1 48 48 THR H H 48 8.549 8.549 8.484 0.065 18485 10175 1 17 . 1 1 49 49 SER N N 49 121.488 121.488 121.189 0.299 18485 10176 1 17 . 1 1 49 49 SER HA H 49 5.516 5.516 5.102 0.414 18485 10177 1 17 . 1 1 49 49 SER C C 49 173.691 173.691 173.466 0.225 18485 10178 1 17 . 1 1 49 49 SER CA C 49 55.758 55.758 56.904 -1.146 18485 10179 1 17 . 1 1 49 49 SER CB C 49 66.386 66.386 64.574 1.812 18485 10180 1 17 . 1 1 49 49 SER H H 49 8.536 8.536 8.440 0.096 18485 10181 1 17 . 1 1 50 50 PHE N N 50 124.791 124.791 124.984 -0.193 18485 10182 1 17 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.608 0.107 18485 10183 1 17 . 1 1 50 50 PHE C C 50 173.608 173.608 174.169 -0.561 18485 10184 1 17 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.276 0.063 18485 10185 1 17 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.787 1.742 18485 10186 1 17 . 1 1 50 50 PHE H H 50 8.627 8.627 9.086 -0.459 18485 10187 1 17 . 1 1 51 51 ASP N N 51 120.606 120.606 123.167 -2.561 18485 10188 1 17 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.398 -0.028 18485 10189 1 17 . 1 1 51 51 ASP C C 51 178.779 178.779 178.078 0.701 18485 10190 1 17 . 1 1 51 51 ASP CA C 51 52.234 52.234 51.779 0.455 18485 10191 1 17 . 1 1 51 51 ASP CB C 51 42.175 42.175 42.190 -0.015 18485 10192 1 17 . 1 1 51 51 ASP H H 51 8.415 8.415 8.760 -0.345 18485 10193 1 17 . 1 1 52 52 VAL N N 52 119.623 119.623 123.154 -3.531 18485 10194 1 17 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.006 0.100 18485 10195 1 17 . 1 1 52 52 VAL C C 52 176.682 176.682 176.101 0.581 18485 10196 1 17 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.791 -1.464 18485 10197 1 17 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.515 0.259 18485 10198 1 17 . 1 1 52 52 VAL H H 52 9.307 9.307 8.726 0.581 18485 10199 1 17 . 1 1 53 53 LEU N N 53 118.392 118.392 119.009 -0.617 18485 10200 1 17 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.345 -0.087 18485 10201 1 17 . 1 1 53 53 LEU C C 53 179.153 179.153 177.771 1.382 18485 10202 1 17 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.861 -0.097 18485 10203 1 17 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.285 -0.250 18485 10204 1 17 . 1 1 53 53 LEU H H 53 9.008 9.008 8.450 0.558 18485 10205 1 17 . 1 1 54 54 ALA N N 54 119.577 119.577 121.090 -1.513 18485 10206 1 17 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.365 -0.125 18485 10207 1 17 . 1 1 54 54 ALA C C 54 177.657 177.657 176.914 0.743 18485 10208 1 17 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.491 0.897 18485 10209 1 17 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.577 -0.458 18485 10210 1 17 . 1 1 54 54 ALA H H 54 7.304 7.304 7.453 -0.149 18485 10211 1 17 . 1 1 55 55 HIS N N 55 114.383 114.383 116.454 -2.071 18485 10212 1 17 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.800 0.324 18485 10213 1 17 . 1 1 55 55 HIS C C 55 174.238 174.238 173.057 1.181 18485 10214 1 17 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.970 -0.876 18485 10215 1 17 . 1 1 55 55 HIS CB C 55 33.789 33.789 31.997 1.792 18485 10216 1 17 . 1 1 55 55 HIS H H 55 6.894 6.894 7.742 -0.848 18485 10217 1 17 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.244 0.082 18485 10218 1 17 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.556 -0.294 18485 10219 1 17 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.438 -0.397 18485 10220 1 17 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.623 0.364 18485 10221 1 17 . 1 1 57 57 VAL C C 57 177.804 177.804 177.869 -0.065 18485 10222 1 17 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.337 -1.010 18485 10223 1 17 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.765 -0.544 18485 10224 1 17 . 1 1 57 57 VAL H H 57 9.778 9.778 7.949 1.829 18485 10225 1 17 . 1 1 58 58 VAL N N 58 120.641 120.641 118.945 1.696 18485 10226 1 17 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.799 -0.267 18485 10227 1 17 . 1 1 58 58 VAL C C 58 177.270 177.270 177.635 -0.365 18485 10228 1 17 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.864 -0.954 18485 10229 1 17 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.284 0.138 18485 10230 1 17 . 1 1 58 58 VAL H H 58 7.540 7.540 7.888 -0.348 18485 10231 1 17 . 1 1 59 59 ARG N N 59 118.263 118.263 118.324 -0.061 18485 10232 1 17 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.192 -0.278 18485 10233 1 17 . 1 1 59 59 ARG C C 59 178.579 178.579 178.683 -0.104 18485 10234 1 17 . 1 1 59 59 ARG CA C 59 59.979 59.979 58.954 1.025 18485 10235 1 17 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.532 0.420 18485 10236 1 17 . 1 1 59 59 ARG H H 59 7.536 7.536 7.773 -0.237 18485 10237 1 17 . 1 1 60 60 SER N N 60 113.091 113.091 116.808 -3.717 18485 10238 1 17 . 1 1 60 60 SER HA H 60 4.161 4.161 4.204 -0.043 18485 10239 1 17 . 1 1 60 60 SER C C 60 175.761 175.761 176.069 -0.308 18485 10240 1 17 . 1 1 60 60 SER CA C 60 61.435 61.435 61.940 -0.505 18485 10241 1 17 . 1 1 60 60 SER CB C 60 62.721 62.721 63.260 -0.539 18485 10242 1 17 . 1 1 60 60 SER H H 60 8.204 8.204 8.434 -0.230 18485 10243 1 17 . 1 1 61 61 TYR N N 61 123.436 123.436 123.082 0.354 18485 10244 1 17 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.101 -0.219 18485 10245 1 17 . 1 1 61 61 TYR C C 61 177.731 177.731 177.564 0.167 18485 10246 1 17 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.951 0.077 18485 10247 1 17 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.436 0.719 18485 10248 1 17 . 1 1 61 61 TYR H H 61 8.024 8.024 8.275 -0.251 18485 10249 1 17 . 1 1 62 62 VAL N N 62 115.253 115.253 115.001 0.252 18485 10250 1 17 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.557 -0.028 18485 10251 1 17 . 1 1 62 62 VAL C C 62 176.990 176.990 177.721 -0.731 18485 10252 1 17 . 1 1 62 62 VAL CA C 62 65.224 65.224 65.613 -0.389 18485 10253 1 17 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.488 0.948 18485 10254 1 17 . 1 1 62 62 VAL H H 62 7.754 7.754 7.501 0.253 18485 10255 1 17 . 1 1 63 63 LYS N N 63 117.543 117.543 120.891 -3.348 18485 10256 1 17 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.046 -0.017 18485 10257 1 17 . 1 1 63 63 LYS C C 63 177.549 177.549 179.317 -1.768 18485 10258 1 17 . 1 1 63 63 LYS CA C 63 58.327 58.327 59.383 -1.056 18485 10259 1 17 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.342 0.419 18485 10260 1 17 . 1 1 63 63 LYS H H 63 7.367 7.367 7.367 0.000 18485 10261 1 17 . 1 1 64 64 GLU N N 64 116.093 116.093 116.680 -0.587 18485 10262 1 17 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.255 -0.141 18485 10263 1 17 . 1 1 64 64 GLU C C 64 177.547 177.547 178.318 -0.771 18485 10264 1 17 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.687 -1.182 18485 10265 1 17 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.628 -0.251 18485 10266 1 17 . 1 1 64 64 GLU H H 64 7.701 7.701 8.235 -0.534 18485 10267 1 17 . 1 1 65 65 VAL N N 65 116.739 116.739 118.419 -1.680 18485 10268 1 17 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.905 -0.070 18485 10269 1 17 . 1 1 65 65 VAL C C 65 176.335 176.335 177.281 -0.946 18485 10270 1 17 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.813 -0.317 18485 10271 1 17 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.366 -0.123 18485 10272 1 17 . 1 1 65 65 VAL H H 65 7.608 7.608 7.790 -0.182 18485 10273 1 17 . 1 1 66 66 SER N N 66 114.353 114.353 115.903 -1.550 18485 10274 1 17 . 1 1 66 66 SER HA H 66 4.230 4.230 4.346 -0.116 18485 10275 1 17 . 1 1 66 66 SER C C 66 174.345 174.345 175.441 -1.096 18485 10276 1 17 . 1 1 66 66 SER CA C 66 58.038 58.038 60.339 -2.301 18485 10277 1 17 . 1 1 66 66 SER CB C 66 63.898 63.898 63.709 0.189 18485 10278 1 17 . 1 1 66 66 SER H H 66 7.526 7.526 7.906 -0.380 18485 10279 1 17 . 1 1 67 67 GLU N N 67 121.681 121.681 114.050 7.631 18485 10280 1 17 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.020 -0.155 18485 10281 1 17 . 1 1 67 67 GLU C C 67 175.748 175.748 175.522 0.226 18485 10282 1 17 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.575 0.270 18485 10283 1 17 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.736 1.644 18485 10284 1 17 . 1 1 67 67 GLU H H 67 7.966 7.966 8.156 -0.190 18485 10285 1 17 . 1 1 68 68 TRP N N 68 119.264 119.264 121.583 -2.319 18485 10286 1 17 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.597 0.338 18485 10287 1 17 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.185 -1.329 18485 10288 1 17 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.718 0.999 18485 10289 1 17 . 1 1 68 68 TRP H H 68 7.633 7.633 7.416 0.217 18485 10290 1 17 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.277 0.165 18485 10291 1 17 . 1 1 69 69 PRO C C 69 176.375 176.375 176.165 0.210 18485 10292 1 17 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.953 -0.386 18485 10293 1 17 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.716 -0.203 18485 10294 1 17 . 1 1 70 70 THR N N 70 114.312 114.312 116.321 -2.009 18485 10295 1 17 . 1 1 70 70 THR HA H 70 4.344 4.344 4.290 0.054 18485 10296 1 17 . 1 1 70 70 THR C C 70 172.275 172.275 174.013 -1.738 18485 10297 1 17 . 1 1 70 70 THR CA C 70 61.465 61.465 62.855 -1.389 18485 10298 1 17 . 1 1 70 70 THR CB C 70 70.433 70.433 69.510 0.923 18485 10299 1 17 . 1 1 70 70 THR H H 70 7.162 7.162 7.572 -0.410 18485 10300 1 17 . 1 1 71 71 ILE N N 71 123.770 123.770 126.182 -2.412 18485 10301 1 17 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.501 0.001 18485 10302 1 17 . 1 1 71 71 ILE C C 71 175.106 175.106 175.269 -0.163 18485 10303 1 17 . 1 1 71 71 ILE CA C 71 55.755 55.755 56.851 -1.096 18485 10304 1 17 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.484 1.593 18485 10305 1 17 . 1 1 71 71 ILE H H 71 8.398 8.398 8.345 0.053 18485 10306 1 17 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.061 0.497 18485 10307 1 17 . 1 1 72 72 PRO C C 72 175.507 175.507 175.704 -0.197 18485 10308 1 17 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.522 -0.084 18485 10309 1 17 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.195 4.461 18485 10310 1 17 . 1 1 73 73 GLN N N 73 112.013 112.013 116.923 -4.910 18485 10311 1 17 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.309 -0.217 18485 10312 1 17 . 1 1 73 73 GLN C C 73 174.559 174.559 174.155 0.404 18485 10313 1 17 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.330 1.199 18485 10314 1 17 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.416 1.024 18485 10315 1 17 . 1 1 73 73 GLN H H 73 8.521 8.521 8.633 -0.112 18485 10316 1 17 . 1 1 74 74 LEU N N 74 124.684 124.684 121.681 3.003 18485 10317 1 17 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.313 0.019 18485 10318 1 17 . 1 1 74 74 LEU C C 74 172.761 172.761 174.435 -1.674 18485 10319 1 17 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.894 0.661 18485 10320 1 17 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.534 0.509 18485 10321 1 17 . 1 1 74 74 LEU H H 74 8.266 8.266 8.697 -0.431 18485 10322 1 17 . 1 1 75 75 PHE N N 75 126.827 126.827 123.889 2.938 18485 10323 1 17 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.581 -0.338 18485 10324 1 17 . 1 1 75 75 PHE C C 75 174.813 174.813 174.740 0.073 18485 10325 1 17 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.339 0.729 18485 10326 1 17 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.452 -0.803 18485 10327 1 17 . 1 1 75 75 PHE H H 75 9.692 9.692 9.385 0.307 18485 10328 1 17 . 1 1 76 76 ILE N N 76 118.421 118.421 122.071 -3.650 18485 10329 1 17 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.039 0.064 18485 10330 1 17 . 1 1 76 76 ILE C C 76 176.242 176.242 176.355 -0.113 18485 10331 1 17 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.036 0.157 18485 10332 1 17 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.432 0.093 18485 10333 1 17 . 1 1 76 76 ILE H H 76 8.612 8.612 9.225 -0.613 18485 10334 1 17 . 1 1 77 77 LYS N N 77 129.856 129.856 126.224 3.632 18485 10335 1 17 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.915 0.277 18485 10336 1 17 . 1 1 77 77 LYS C C 77 175.887 175.887 176.285 -0.398 18485 10337 1 17 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.195 -0.594 18485 10338 1 17 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.282 1.317 18485 10339 1 17 . 1 1 77 77 LYS H H 77 10.357 10.357 9.254 1.103 18485 10340 1 17 . 1 1 78 78 ALA N N 78 114.323 114.323 116.344 -2.021 18485 10341 1 17 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.229 -0.391 18485 10342 1 17 . 1 1 78 78 ALA C C 78 175.949 175.949 176.576 -0.627 18485 10343 1 17 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.605 -0.087 18485 10344 1 17 . 1 1 78 78 ALA CB C 78 18.235 18.235 17.991 0.244 18485 10345 1 17 . 1 1 78 78 ALA H H 78 9.554 9.554 8.465 1.089 18485 10346 1 17 . 1 1 79 79 GLU N N 79 120.498 120.498 118.704 1.794 18485 10347 1 17 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.766 -0.002 18485 10348 1 17 . 1 1 79 79 GLU C C 79 175.200 175.200 175.177 0.023 18485 10349 1 17 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.104 0.667 18485 10350 1 17 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.615 -0.613 18485 10351 1 17 . 1 1 79 79 GLU H H 79 8.219 8.219 7.850 0.369 18485 10352 1 17 . 1 1 80 80 PHE N N 80 125.962 125.962 125.109 0.853 18485 10353 1 17 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.310 0.082 18485 10354 1 17 . 1 1 80 80 PHE C C 80 175.280 175.280 174.613 0.667 18485 10355 1 17 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.590 -0.331 18485 10356 1 17 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.983 -0.435 18485 10357 1 17 . 1 1 80 80 PHE H H 80 8.935 8.935 8.733 0.202 18485 10358 1 17 . 1 1 81 81 VAL N N 81 128.637 128.637 125.243 3.394 18485 10359 1 17 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.756 0.013 18485 10360 1 17 . 1 1 81 81 VAL C C 81 174.733 174.733 174.842 -0.109 18485 10361 1 17 . 1 1 81 81 VAL CA C 81 63.039 63.039 61.923 1.116 18485 10362 1 17 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.622 -0.984 18485 10363 1 17 . 1 1 81 81 VAL H H 81 8.288 8.288 8.118 0.170 18485 10364 1 17 . 1 1 82 82 GLY N N 82 100.310 100.310 104.875 -4.565 18485 10365 1 17 . 1 1 82 82 GLY C C 82 172.515 172.515 172.358 0.157 18485 10366 1 17 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.059 1.161 18485 10367 1 17 . 1 1 82 82 GLY H H 82 5.816 5.816 6.425 -0.609 18485 10368 1 17 . 1 1 83 83 GLY N N 83 104.342 104.342 105.957 -1.615 18485 10369 1 17 . 1 1 83 83 GLY C C 83 173.758 173.758 174.799 -1.041 18485 10370 1 17 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.713 0.110 18485 10371 1 17 . 1 1 83 83 GLY H H 83 7.401 7.401 8.201 -0.800 18485 10372 1 17 . 1 1 84 84 LEU N N 84 118.350 118.350 121.327 -2.977 18485 10373 1 17 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.164 -0.383 18485 10374 1 17 . 1 1 84 84 LEU C C 84 178.245 178.245 178.499 -0.254 18485 10375 1 17 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.386 0.868 18485 10376 1 17 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.756 0.846 18485 10377 1 17 . 1 1 84 84 LEU H H 84 8.807 8.807 8.603 0.204 18485 10378 1 17 . 1 1 85 85 ASP N N 85 118.373 118.373 117.473 0.900 18485 10379 1 17 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.439 -0.173 18485 10380 1 17 . 1 1 85 85 ASP C C 85 178.296 178.296 178.262 0.034 18485 10381 1 17 . 1 1 85 85 ASP CA C 85 57.612 57.612 56.693 0.919 18485 10382 1 17 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.805 -1.306 18485 10383 1 17 . 1 1 85 85 ASP H H 85 8.697 8.697 8.463 0.234 18485 10384 1 17 . 1 1 86 86 ILE N N 86 120.495 120.495 119.730 0.765 18485 10385 1 17 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.948 -0.102 18485 10386 1 17 . 1 1 86 86 ILE C C 86 177.657 177.657 177.947 -0.290 18485 10387 1 17 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.130 -0.272 18485 10388 1 17 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.419 0.094 18485 10389 1 17 . 1 1 86 86 ILE H H 86 7.605 7.605 7.354 0.251 18485 10390 1 17 . 1 1 87 87 VAL N N 87 120.596 120.596 117.996 2.600 18485 10391 1 17 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.680 -0.373 18485 10392 1 17 . 1 1 87 87 VAL C C 87 177.629 177.629 177.894 -0.265 18485 10393 1 17 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.809 0.902 18485 10394 1 17 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.378 1.287 18485 10395 1 17 . 1 1 87 87 VAL H H 87 7.934 7.934 7.840 0.094 18485 10396 1 17 . 1 1 88 88 THR N N 88 112.971 112.971 112.723 0.248 18485 10397 1 17 . 1 1 88 88 THR HA H 88 3.822 3.822 4.026 -0.204 18485 10398 1 17 . 1 1 88 88 THR C C 88 176.896 176.896 176.365 0.531 18485 10399 1 17 . 1 1 88 88 THR CA C 88 66.898 66.898 66.204 0.694 18485 10400 1 17 . 1 1 88 88 THR CB C 88 68.370 68.370 68.443 -0.073 18485 10401 1 17 . 1 1 88 88 THR H H 88 8.719 8.719 7.625 1.094 18485 10402 1 17 . 1 1 89 89 LYS N N 89 123.633 123.633 122.904 0.729 18485 10403 1 17 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.065 0.084 18485 10404 1 17 . 1 1 89 89 LYS C C 89 179.648 179.648 178.904 0.744 18485 10405 1 17 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.699 -0.073 18485 10406 1 17 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.081 0.007 18485 10407 1 17 . 1 1 89 89 LYS H H 89 7.568 7.568 7.380 0.188 18485 10408 1 17 . 1 1 90 90 MET N N 90 118.147 118.147 118.263 -0.116 18485 10409 1 17 . 1 1 90 90 MET HA H 90 4.333 4.333 4.142 0.191 18485 10410 1 17 . 1 1 90 90 MET C C 90 179.634 179.634 178.687 0.947 18485 10411 1 17 . 1 1 90 90 MET CA C 90 58.590 58.590 59.282 -0.692 18485 10412 1 17 . 1 1 90 90 MET CB C 90 34.033 34.033 32.502 1.531 18485 10413 1 17 . 1 1 90 90 MET H H 90 8.520 8.520 8.244 0.276 18485 10414 1 17 . 1 1 91 91 LEU N N 91 124.789 124.789 121.795 2.994 18485 10415 1 17 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.945 0.255 18485 10416 1 17 . 1 1 91 91 LEU C C 91 179.696 179.696 178.660 1.036 18485 10417 1 17 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.635 0.446 18485 10418 1 17 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.895 -0.034 18485 10419 1 17 . 1 1 91 91 LEU H H 91 8.792 8.792 7.653 1.139 18485 10420 1 17 . 1 1 92 92 GLU N N 92 118.965 118.965 118.294 0.671 18485 10421 1 17 . 1 1 92 92 GLU HA H 92 4.017 4.017 3.990 0.027 18485 10422 1 17 . 1 1 92 92 GLU C C 92 178.352 178.352 178.670 -0.318 18485 10423 1 17 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.902 0.176 18485 10424 1 17 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.621 0.070 18485 10425 1 17 . 1 1 92 92 GLU H H 92 7.999 7.999 8.403 -0.404 18485 10426 1 17 . 1 1 93 93 SER N N 93 111.381 111.381 112.755 -1.374 18485 10427 1 17 . 1 1 93 93 SER HA H 93 4.406 4.406 4.337 0.069 18485 10428 1 17 . 1 1 93 93 SER C C 93 175.948 175.948 175.478 0.470 18485 10429 1 17 . 1 1 93 93 SER CA C 93 59.192 59.192 59.006 0.186 18485 10430 1 17 . 1 1 93 93 SER CB C 93 64.227 64.227 63.786 0.440 18485 10431 1 17 . 1 1 93 93 SER H H 93 8.270 8.270 7.968 0.302 18485 10432 1 17 . 1 1 94 94 GLY N N 94 109.172 109.172 109.740 -0.568 18485 10433 1 17 . 1 1 94 94 GLY C C 94 174.906 174.906 175.826 -0.920 18485 10434 1 17 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.838 -0.455 18485 10435 1 17 . 1 1 94 94 GLY H H 94 7.406 7.406 7.711 -0.305 18485 10436 1 17 . 1 1 95 95 ASP N N 95 122.640 122.640 122.577 0.063 18485 10437 1 17 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.361 0.118 18485 10438 1 17 . 1 1 95 95 ASP C C 95 178.486 178.486 177.984 0.502 18485 10439 1 17 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.467 -0.216 18485 10440 1 17 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.698 0.672 18485 10441 1 17 . 1 1 95 95 ASP H H 95 8.337 8.337 7.853 0.484 18485 10442 1 17 . 1 1 96 96 LEU N N 96 122.329 122.329 120.023 2.306 18485 10443 1 17 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.050 0.031 18485 10444 1 17 . 1 1 96 96 LEU C C 96 177.070 177.070 178.496 -1.426 18485 10445 1 17 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.157 -0.198 18485 10446 1 17 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.936 -1.034 18485 10447 1 17 . 1 1 96 96 LEU H H 96 7.992 7.992 7.872 0.120 18485 10448 1 17 . 1 1 97 97 LYS N N 97 118.159 118.159 118.375 -0.216 18485 10449 1 17 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.897 0.024 18485 10450 1 17 . 1 1 97 97 LYS C C 97 178.245 178.245 178.871 -0.626 18485 10451 1 17 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.884 0.216 18485 10452 1 17 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.846 0.082 18485 10453 1 17 . 1 1 97 97 LYS H H 97 8.254 8.254 7.849 0.405 18485 10454 1 17 . 1 1 98 98 LYS N N 98 117.677 117.677 120.131 -2.454 18485 10455 1 17 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.013 -0.076 18485 10456 1 17 . 1 1 98 98 LYS C C 98 177.471 177.471 178.846 -1.375 18485 10457 1 17 . 1 1 98 98 LYS CA C 98 59.930 59.930 58.973 0.957 18485 10458 1 17 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.238 0.502 18485 10459 1 17 . 1 1 98 98 LYS H H 98 7.388 7.388 7.775 -0.387 18485 10460 1 17 . 1 1 99 99 MET N N 99 119.426 119.426 119.089 0.337 18485 10461 1 17 . 1 1 99 99 MET HA H 99 4.138 4.138 4.142 -0.004 18485 10462 1 17 . 1 1 99 99 MET C C 99 178.018 178.018 178.579 -0.561 18485 10463 1 17 . 1 1 99 99 MET CA C 99 59.151 59.151 59.035 0.116 18485 10464 1 17 . 1 1 99 99 MET CB C 99 32.550 32.550 32.576 -0.026 18485 10465 1 17 . 1 1 99 99 MET H H 99 7.934 7.934 8.177 -0.243 18485 10466 1 17 . 1 1 100 100 LEU N N 100 118.006 118.006 119.146 -1.140 18485 10467 1 17 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.836 -0.045 18485 10468 1 17 . 1 1 100 100 LEU C C 100 178.592 178.592 178.806 -0.214 18485 10469 1 17 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.273 0.329 18485 10470 1 17 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.337 -0.637 18485 10471 1 17 . 1 1 100 100 LEU H H 100 8.131 8.131 8.250 -0.119 18485 10472 1 17 . 1 1 101 101 ARG N N 101 118.551 118.551 118.592 -0.041 18485 10473 1 17 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.966 0.160 18485 10474 1 17 . 1 1 101 101 ARG C C 101 181.117 181.117 178.386 2.731 18485 10475 1 17 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.935 0.342 18485 10476 1 17 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.515 0.277 18485 10477 1 17 . 1 1 101 101 ARG H H 101 8.045 8.045 7.980 0.065 18485 10478 1 17 . 1 1 102 102 ASP N N 102 122.544 122.544 120.632 1.912 18485 10479 1 17 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.453 -0.048 18485 10480 1 17 . 1 1 102 102 ASP C C 102 178.405 178.405 178.125 0.280 18485 10481 1 17 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.622 0.680 18485 10482 1 17 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.894 -0.581 18485 10483 1 17 . 1 1 102 102 ASP H H 102 8.828 8.828 8.325 0.503 18485 10484 1 17 . 1 1 103 103 LYS N N 103 116.177 116.177 116.941 -0.764 18485 10485 1 17 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.398 -0.002 18485 10486 1 17 . 1 1 103 103 LYS C C 103 176.282 176.282 176.028 0.254 18485 10487 1 17 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.191 0.134 18485 10488 1 17 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.904 -0.189 18485 10489 1 17 . 1 1 103 103 LYS H H 103 7.847 7.847 8.087 -0.240 18485 10490 1 17 . 1 1 104 104 GLY N N 104 108.597 108.597 107.200 1.397 18485 10491 1 17 . 1 1 104 104 GLY C C 104 174.450 174.450 174.916 -0.466 18485 10492 1 17 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.287 1.036 18485 10493 1 17 . 1 1 104 104 GLY H H 104 7.930 7.930 7.373 0.557 18485 10494 1 17 . 1 1 105 105 ILE N N 105 123.232 123.232 119.060 4.172 18485 10495 1 17 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.254 -0.145 18485 10496 1 17 . 1 1 105 105 ILE C C 105 175.374 175.374 176.855 -1.481 18485 10497 1 17 . 1 1 105 105 ILE CA C 105 60.643 60.643 58.803 1.840 18485 10498 1 17 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.130 0.558 18485 10499 1 17 . 1 1 105 105 ILE H H 105 8.323 8.323 8.030 0.293 18485 10500 1 17 . 1 1 106 106 THR N N 106 123.522 123.522 119.559 3.963 18485 10501 1 17 . 1 1 106 106 THR HA H 106 4.155 4.155 4.333 -0.178 18485 10502 1 17 . 1 1 106 106 THR C C 106 173.223 173.223 173.803 -0.580 18485 10503 1 17 . 1 1 106 106 THR CA C 106 63.189 63.189 63.348 -0.159 18485 10504 1 17 . 1 1 106 106 THR CB C 106 69.242 69.242 69.252 -0.010 18485 10505 1 17 . 1 1 106 106 THR H H 106 8.521 8.521 8.395 0.126 18485 10506 1 17 . 1 1 107 107 CYS N N 107 120.688 120.688 122.381 -1.693 18485 10507 1 17 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.216 -0.349 18485 10508 1 17 . 1 1 107 107 CYS C C 107 173.798 173.798 173.333 0.465 18485 10509 1 17 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.330 0.222 18485 10510 1 17 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.424 -0.962 18485 10511 1 17 . 1 1 107 107 CYS H H 107 8.247 8.247 8.122 0.125 18485 10512 1 17 . 1 1 108 108 ARG N N 108 122.349 122.349 120.788 1.561 18485 10513 1 17 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.440 -0.149 18485 10514 1 17 . 1 1 108 108 ARG C C 108 175.547 175.547 176.238 -0.691 18485 10515 1 17 . 1 1 108 108 ARG CA C 108 56.300 56.300 54.830 1.470 18485 10516 1 17 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.181 1.095 18485 10517 1 17 . 1 1 108 108 ARG H H 108 8.512 8.512 8.368 0.144 18485 10518 1 17 . 1 1 109 109 ASP N N 109 121.453 121.453 119.919 1.534 18485 10519 1 17 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.428 0.197 18485 10520 1 17 . 1 1 109 109 ASP C C 109 174.973 174.973 176.566 -1.593 18485 10521 1 17 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.102 -0.863 18485 10522 1 17 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.432 -0.476 18485 10523 1 17 . 1 1 109 109 ASP H H 109 8.399 8.399 8.389 0.010 18485 10524 1 18 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.398 0.014 18485 10525 1 18 . 1 1 2 2 ALA C C 2 177.283 177.283 176.593 0.690 18485 10526 1 18 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.757 0.527 18485 10527 1 18 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.745 -0.242 18485 10528 1 18 . 1 1 3 3 MET N N 3 121.052 121.052 122.947 -1.895 18485 10529 1 18 . 1 1 3 3 MET HA H 3 4.458 4.458 4.958 -0.500 18485 10530 1 18 . 1 1 3 3 MET C C 3 175.185 175.185 175.212 -0.027 18485 10531 1 18 . 1 1 3 3 MET CA C 3 56.001 56.001 54.703 1.298 18485 10532 1 18 . 1 1 3 3 MET CB C 3 34.282 34.282 34.461 -0.179 18485 10533 1 18 . 1 1 3 3 MET H H 3 8.313 8.313 8.395 -0.082 18485 10534 1 18 . 1 1 4 4 VAL N N 4 116.976 116.976 120.990 -4.014 18485 10535 1 18 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.678 -0.035 18485 10536 1 18 . 1 1 4 4 VAL C C 4 176.976 176.976 176.810 0.166 18485 10537 1 18 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.645 0.107 18485 10538 1 18 . 1 1 4 4 VAL CB C 4 34.878 34.878 33.934 0.945 18485 10539 1 18 . 1 1 4 4 VAL H H 4 8.432 8.432 8.979 -0.547 18485 10540 1 18 . 1 1 5 5 LYS N N 5 123.795 123.795 122.711 1.084 18485 10541 1 18 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.072 -0.486 18485 10542 1 18 . 1 1 5 5 LYS C C 5 178.205 178.205 178.307 -0.102 18485 10543 1 18 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.896 1.166 18485 10544 1 18 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.110 0.113 18485 10545 1 18 . 1 1 5 5 LYS H H 5 8.725 8.725 8.751 -0.026 18485 10546 1 18 . 1 1 6 6 LYS N N 6 117.559 117.559 118.846 -1.287 18485 10547 1 18 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.063 0.011 18485 10548 1 18 . 1 1 6 6 LYS C C 6 176.976 176.976 178.222 -1.246 18485 10549 1 18 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.638 -0.619 18485 10550 1 18 . 1 1 6 6 LYS CB C 6 32.658 32.658 32.052 0.606 18485 10551 1 18 . 1 1 6 6 LYS H H 6 8.395 8.395 8.468 -0.073 18485 10552 1 18 . 1 1 7 7 ASP N N 7 116.710 116.710 119.481 -2.771 18485 10553 1 18 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.426 -0.062 18485 10554 1 18 . 1 1 7 7 ASP C C 7 179.180 179.180 178.705 0.475 18485 10555 1 18 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.407 0.003 18485 10556 1 18 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.412 0.463 18485 10557 1 18 . 1 1 7 7 ASP H H 7 7.415 7.415 7.936 -0.521 18485 10558 1 18 . 1 1 8 8 ILE N N 8 120.990 120.990 119.805 1.185 18485 10559 1 18 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.605 -0.328 18485 10560 1 18 . 1 1 8 8 ILE C C 8 177.537 177.537 177.436 0.101 18485 10561 1 18 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.754 -0.194 18485 10562 1 18 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.345 -0.276 18485 10563 1 18 . 1 1 8 8 ILE H H 8 7.302 7.302 7.256 0.046 18485 10564 1 18 . 1 1 9 9 ASP N N 9 120.214 120.214 121.274 -1.060 18485 10565 1 18 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.397 -0.190 18485 10566 1 18 . 1 1 9 9 ASP C C 9 178.564 178.564 178.496 0.068 18485 10567 1 18 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.549 0.459 18485 10568 1 18 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.127 0.755 18485 10569 1 18 . 1 1 9 9 ASP H H 9 7.884 7.884 7.845 0.039 18485 10570 1 18 . 1 1 10 10 ASP N N 10 117.314 117.314 118.476 -1.162 18485 10571 1 18 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.474 -0.150 18485 10572 1 18 . 1 1 10 10 ASP C C 10 179.340 179.340 178.515 0.825 18485 10573 1 18 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.462 -0.276 18485 10574 1 18 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.997 -1.084 18485 10575 1 18 . 1 1 10 10 ASP H H 10 8.856 8.856 8.540 0.316 18485 10576 1 18 . 1 1 11 11 THR N N 11 119.032 119.032 118.341 0.691 18485 10577 1 18 . 1 1 11 11 THR HA H 11 4.061 4.061 4.024 0.037 18485 10578 1 18 . 1 1 11 11 THR C C 11 175.574 175.574 176.345 -0.771 18485 10579 1 18 . 1 1 11 11 THR CA C 11 67.210 67.210 67.292 -0.082 18485 10580 1 18 . 1 1 11 11 THR CB C 11 68.319 68.319 68.840 -0.520 18485 10581 1 18 . 1 1 11 11 THR H H 11 7.670 7.670 7.502 0.168 18485 10582 1 18 . 1 1 12 12 ILE N N 12 122.228 122.228 120.956 1.272 18485 10583 1 18 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.675 -0.036 18485 10584 1 18 . 1 1 12 12 ILE C C 12 177.455 177.455 177.465 -0.010 18485 10585 1 18 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.880 0.029 18485 10586 1 18 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.613 -0.035 18485 10587 1 18 . 1 1 12 12 ILE H H 12 8.303 8.303 8.076 0.227 18485 10588 1 18 . 1 1 13 13 LYS N N 13 114.462 114.462 117.942 -3.480 18485 10589 1 18 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.184 -0.050 18485 10590 1 18 . 1 1 13 13 LYS C C 13 177.547 177.547 177.730 -0.183 18485 10591 1 18 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.722 -0.322 18485 10592 1 18 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.810 0.196 18485 10593 1 18 . 1 1 13 13 LYS H H 13 7.709 7.709 7.457 0.252 18485 10594 1 18 . 1 1 14 14 SER N N 14 112.642 112.642 112.688 -0.046 18485 10595 1 18 . 1 1 14 14 SER HA H 14 4.551 4.551 4.566 -0.015 18485 10596 1 18 . 1 1 14 14 SER C C 14 174.532 174.532 174.763 -0.231 18485 10597 1 18 . 1 1 14 14 SER CA C 14 59.744 59.744 59.775 -0.031 18485 10598 1 18 . 1 1 14 14 SER CB C 14 65.009 65.009 64.548 0.461 18485 10599 1 18 . 1 1 14 14 SER H H 14 7.749 7.749 7.766 -0.017 18485 10600 1 18 . 1 1 15 15 GLU N N 15 121.266 121.266 121.197 0.069 18485 10601 1 18 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.321 0.243 18485 10602 1 18 . 1 1 15 15 GLU C C 15 176.789 176.789 176.155 0.634 18485 10603 1 18 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.703 -1.258 18485 10604 1 18 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.325 0.001 18485 10605 1 18 . 1 1 15 15 GLU H H 15 8.101 8.101 7.955 0.146 18485 10606 1 18 . 1 1 16 16 ASP N N 16 122.253 122.253 119.172 3.081 18485 10607 1 18 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.784 -0.444 18485 10608 1 18 . 1 1 16 16 ASP C C 16 176.469 176.469 175.346 1.123 18485 10609 1 18 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.040 2.719 18485 10610 1 18 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.383 -1.565 18485 10611 1 18 . 1 1 16 16 ASP H H 16 8.685 8.685 8.732 -0.047 18485 10612 1 18 . 1 1 17 17 VAL N N 17 118.536 118.536 118.501 0.035 18485 10613 1 18 . 1 1 17 17 VAL HA H 17 4.915 4.915 5.009 -0.094 18485 10614 1 18 . 1 1 17 17 VAL C C 17 174.452 174.452 174.158 0.294 18485 10615 1 18 . 1 1 17 17 VAL CA C 17 61.903 61.903 60.653 1.250 18485 10616 1 18 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.149 0.228 18485 10617 1 18 . 1 1 17 17 VAL H H 17 8.547 8.547 7.764 0.783 18485 10618 1 18 . 1 1 18 18 VAL N N 18 125.917 125.917 127.135 -1.218 18485 10619 1 18 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.138 0.117 18485 10620 1 18 . 1 1 18 18 VAL C C 18 174.158 174.158 174.377 -0.219 18485 10621 1 18 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.479 -0.377 18485 10622 1 18 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.225 -0.170 18485 10623 1 18 . 1 1 18 18 VAL H H 18 8.755 8.755 9.047 -0.292 18485 10624 1 18 . 1 1 19 19 THR N N 19 120.107 120.107 117.881 2.226 18485 10625 1 18 . 1 1 19 19 THR HA H 19 5.795 5.795 5.320 0.475 18485 10626 1 18 . 1 1 19 19 THR C C 19 171.126 171.126 172.886 -1.760 18485 10627 1 18 . 1 1 19 19 THR CA C 19 58.118 58.118 60.151 -2.034 18485 10628 1 18 . 1 1 19 19 THR CB C 19 72.547 72.547 71.912 0.635 18485 10629 1 18 . 1 1 19 19 THR H H 19 8.938 8.938 8.760 0.178 18485 10630 1 18 . 1 1 20 20 PHE N N 20 125.287 125.287 125.521 -0.234 18485 10631 1 18 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.540 -0.036 18485 10632 1 18 . 1 1 20 20 PHE C C 20 175.200 175.200 174.914 0.286 18485 10633 1 18 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.914 -0.416 18485 10634 1 18 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.676 -0.015 18485 10635 1 18 . 1 1 20 20 PHE H H 20 8.230 8.230 8.625 -0.395 18485 10636 1 18 . 1 1 21 21 ILE N N 21 114.660 114.660 116.322 -1.662 18485 10637 1 18 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.895 -0.083 18485 10638 1 18 . 1 1 21 21 ILE C C 21 173.918 173.918 174.201 -0.283 18485 10639 1 18 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.232 0.131 18485 10640 1 18 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.703 1.117 18485 10641 1 18 . 1 1 21 21 ILE H H 21 9.042 9.042 9.444 -0.402 18485 10642 1 18 . 1 1 22 22 LYS N N 22 117.197 117.197 123.470 -6.273 18485 10643 1 18 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.600 0.003 18485 10644 1 18 . 1 1 22 22 LYS C C 22 175.935 175.935 176.189 -0.254 18485 10645 1 18 . 1 1 22 22 LYS CA C 22 56.698 56.698 56.096 0.602 18485 10646 1 18 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.600 1.593 18485 10647 1 18 . 1 1 22 22 LYS H H 22 8.581 8.581 8.474 0.107 18485 10648 1 18 . 1 1 23 23 GLY N N 23 117.108 117.108 108.543 8.565 18485 10649 1 18 . 1 1 23 23 GLY C C 23 170.793 170.793 172.555 -1.762 18485 10650 1 18 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.708 -0.070 18485 10651 1 18 . 1 1 23 23 GLY H H 23 9.178 9.178 8.092 1.086 18485 10652 1 18 . 1 1 24 24 LEU N N 24 117.859 117.859 120.855 -2.996 18485 10653 1 18 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.657 0.203 18485 10654 1 18 . 1 1 24 24 LEU C C 24 176.709 176.709 175.885 0.824 18485 10655 1 18 . 1 1 24 24 LEU CA C 24 51.950 51.950 52.799 -0.849 18485 10656 1 18 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.551 1.457 18485 10657 1 18 . 1 1 24 24 LEU H H 24 7.162 7.162 8.372 -1.210 18485 10658 1 18 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.510 -0.557 18485 10659 1 18 . 1 1 25 25 PRO C C 25 177.190 177.190 177.161 0.029 18485 10660 1 18 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.553 1.769 18485 10661 1 18 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.259 -0.535 18485 10662 1 18 . 1 1 26 26 GLU N N 26 111.260 111.260 117.732 -6.472 18485 10663 1 18 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.283 -0.078 18485 10664 1 18 . 1 1 26 26 GLU C C 26 176.429 176.429 176.453 -0.024 18485 10665 1 18 . 1 1 26 26 GLU CA C 26 56.743 56.743 56.922 -0.179 18485 10666 1 18 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.593 -0.895 18485 10667 1 18 . 1 1 26 26 GLU H H 26 8.807 8.807 8.417 0.390 18485 10668 1 18 . 1 1 27 27 ALA N N 27 122.547 122.547 123.154 -0.607 18485 10669 1 18 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.682 -0.095 18485 10670 1 18 . 1 1 27 27 ALA C C 27 172.342 172.342 174.927 -2.585 18485 10671 1 18 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.854 1.030 18485 10672 1 18 . 1 1 27 27 ALA CB C 27 18.695 18.695 19.007 -0.312 18485 10673 1 18 . 1 1 27 27 ALA H H 27 7.856 7.856 7.442 0.414 18485 10674 1 18 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.483 0.159 18485 10675 1 18 . 1 1 28 28 PRO C C 28 178.512 178.512 176.388 2.124 18485 10676 1 18 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.772 0.334 18485 10677 1 18 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.624 -0.559 18485 10678 1 18 . 1 1 29 29 MET N N 29 119.426 119.426 119.023 0.403 18485 10679 1 18 . 1 1 29 29 MET HA H 29 4.758 4.758 4.542 0.216 18485 10680 1 18 . 1 1 29 29 MET C C 29 175.374 175.374 176.576 -1.202 18485 10681 1 18 . 1 1 29 29 MET CA C 29 54.594 54.594 56.332 -1.738 18485 10682 1 18 . 1 1 29 29 MET CB C 29 33.036 33.036 32.893 0.143 18485 10683 1 18 . 1 1 29 29 MET H H 29 8.828 8.828 8.740 0.088 18485 10684 1 18 . 1 1 30 30 CYS N N 30 116.089 116.089 117.895 -1.806 18485 10685 1 18 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.592 0.260 18485 10686 1 18 . 1 1 30 30 CYS C C 30 176.028 176.028 174.546 1.482 18485 10687 1 18 . 1 1 30 30 CYS CA C 30 58.725 58.725 58.291 0.434 18485 10688 1 18 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.180 2.079 18485 10689 1 18 . 1 1 30 30 CYS H H 30 7.455 7.455 7.534 -0.079 18485 10690 1 18 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.992 0.088 18485 10691 1 18 . 1 1 31 31 ALA C C 31 180.222 180.222 178.272 1.950 18485 10692 1 18 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.690 0.004 18485 10693 1 18 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.482 0.199 18485 10694 1 18 . 1 1 32 32 TYR N N 32 121.972 121.972 116.735 5.237 18485 10695 1 18 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.280 0.053 18485 10696 1 18 . 1 1 32 32 TYR C C 32 178.673 178.673 178.151 0.522 18485 10697 1 18 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.751 -0.822 18485 10698 1 18 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.398 -0.361 18485 10699 1 18 . 1 1 32 32 TYR H H 32 8.846 8.846 8.134 0.712 18485 10700 1 18 . 1 1 33 33 SER N N 33 125.375 125.375 115.267 10.108 18485 10701 1 18 . 1 1 33 33 SER HA H 33 4.013 4.013 4.231 -0.218 18485 10702 1 18 . 1 1 33 33 SER C C 33 174.906 174.906 176.275 -1.369 18485 10703 1 18 . 1 1 33 33 SER CA C 33 64.417 64.417 62.426 1.990 18485 10704 1 18 . 1 1 33 33 SER CB C 33 62.687 62.687 62.505 0.182 18485 10705 1 18 . 1 1 33 33 SER H H 33 10.272 10.272 7.820 2.452 18485 10706 1 18 . 1 1 34 34 LYS N N 34 121.216 121.216 122.700 -1.484 18485 10707 1 18 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.038 -0.185 18485 10708 1 18 . 1 1 34 34 LYS C C 34 177.083 177.083 178.591 -1.508 18485 10709 1 18 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.724 0.939 18485 10710 1 18 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.359 -0.209 18485 10711 1 18 . 1 1 34 34 LYS H H 34 8.024 8.024 7.845 0.179 18485 10712 1 18 . 1 1 35 35 ARG N N 35 117.269 117.269 119.721 -2.452 18485 10713 1 18 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.094 0.055 18485 10714 1 18 . 1 1 35 35 ARG C C 35 178.058 178.058 179.285 -1.227 18485 10715 1 18 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.440 0.536 18485 10716 1 18 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.758 -0.046 18485 10717 1 18 . 1 1 35 35 ARG H H 35 7.559 7.559 8.172 -0.613 18485 10718 1 18 . 1 1 36 36 MET N N 36 117.954 117.954 119.067 -1.113 18485 10719 1 18 . 1 1 36 36 MET HA H 36 4.068 4.068 4.156 -0.088 18485 10720 1 18 . 1 1 36 36 MET C C 36 176.963 176.963 178.589 -1.626 18485 10721 1 18 . 1 1 36 36 MET CA C 36 58.195 58.195 58.221 -0.026 18485 10722 1 18 . 1 1 36 36 MET CB C 36 31.742 31.742 31.970 -0.228 18485 10723 1 18 . 1 1 36 36 MET H H 36 8.027 8.027 8.210 -0.183 18485 10724 1 18 . 1 1 37 37 ILE N N 37 118.650 118.650 118.973 -0.323 18485 10725 1 18 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.492 0.028 18485 10726 1 18 . 1 1 37 37 ILE C C 37 177.631 177.631 178.115 -0.484 18485 10727 1 18 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.599 -1.726 18485 10728 1 18 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.425 -1.253 18485 10729 1 18 . 1 1 37 37 ILE H H 37 7.825 7.825 7.429 0.396 18485 10730 1 18 . 1 1 38 38 ASP N N 38 119.229 119.229 119.911 -0.682 18485 10731 1 18 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.363 -0.033 18485 10732 1 18 . 1 1 38 38 ASP C C 38 180.208 180.208 178.757 1.451 18485 10733 1 18 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.684 -0.154 18485 10734 1 18 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.739 -0.769 18485 10735 1 18 . 1 1 38 38 ASP H H 38 8.629 8.629 7.949 0.680 18485 10736 1 18 . 1 1 39 39 VAL N N 39 121.475 121.475 120.160 1.315 18485 10737 1 18 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.704 -0.129 18485 10738 1 18 . 1 1 39 39 VAL C C 39 177.056 177.056 177.790 -0.734 18485 10739 1 18 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.218 0.592 18485 10740 1 18 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.732 -0.237 18485 10741 1 18 . 1 1 39 39 VAL H H 39 7.879 7.879 7.471 0.408 18485 10742 1 18 . 1 1 40 40 LEU N N 40 118.145 118.145 118.816 -0.671 18485 10743 1 18 . 1 1 40 40 LEU HA H 40 3.774 3.774 4.000 -0.226 18485 10744 1 18 . 1 1 40 40 LEU C C 40 179.794 179.794 179.063 0.731 18485 10745 1 18 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.834 0.331 18485 10746 1 18 . 1 1 40 40 LEU CB C 40 40.597 40.597 40.992 -0.395 18485 10747 1 18 . 1 1 40 40 LEU H H 40 7.574 7.574 7.142 0.432 18485 10748 1 18 . 1 1 41 41 GLU N N 41 116.305 116.305 118.469 -2.164 18485 10749 1 18 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.245 0.052 18485 10750 1 18 . 1 1 41 41 GLU C C 41 181.117 181.117 179.049 2.068 18485 10751 1 18 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.542 0.010 18485 10752 1 18 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.498 -0.377 18485 10753 1 18 . 1 1 41 41 GLU H H 41 8.871 8.871 8.693 0.178 18485 10754 1 18 . 1 1 42 42 ALA N N 42 124.797 124.797 121.469 3.328 18485 10755 1 18 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.213 -0.048 18485 10756 1 18 . 1 1 42 42 ALA C C 42 180.275 180.275 178.728 1.547 18485 10757 1 18 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.169 0.811 18485 10758 1 18 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.834 -1.175 18485 10759 1 18 . 1 1 42 42 ALA H H 42 8.285 8.285 7.921 0.364 18485 10760 1 18 . 1 1 43 43 LEU N N 43 115.767 115.767 115.443 0.324 18485 10761 1 18 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.321 -0.072 18485 10762 1 18 . 1 1 43 43 LEU C C 43 177.177 177.177 176.795 0.382 18485 10763 1 18 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.572 0.834 18485 10764 1 18 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.296 1.187 18485 10765 1 18 . 1 1 43 43 LEU H H 43 7.528 7.528 7.553 -0.025 18485 10766 1 18 . 1 1 44 44 GLY N N 44 108.593 108.593 106.738 1.855 18485 10767 1 18 . 1 1 44 44 GLY C C 44 175.011 175.011 174.555 0.456 18485 10768 1 18 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.208 1.133 18485 10769 1 18 . 1 1 44 44 GLY H H 44 7.927 7.927 7.508 0.419 18485 10770 1 18 . 1 1 45 45 LEU N N 45 117.269 117.269 117.631 -0.362 18485 10771 1 18 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.833 -0.381 18485 10772 1 18 . 1 1 45 45 LEU C C 45 176.976 176.976 176.711 0.265 18485 10773 1 18 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.415 0.985 18485 10774 1 18 . 1 1 45 45 LEU CB C 45 42.716 42.716 43.119 -0.403 18485 10775 1 18 . 1 1 45 45 LEU H H 45 7.482 7.482 8.022 -0.540 18485 10776 1 18 . 1 1 46 46 GLU N N 46 121.177 121.177 122.132 -0.955 18485 10777 1 18 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.282 0.181 18485 10778 1 18 . 1 1 46 46 GLU C C 46 176.135 176.135 175.567 0.568 18485 10779 1 18 . 1 1 46 46 GLU CA C 46 55.524 55.524 56.025 -0.501 18485 10780 1 18 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.374 -0.141 18485 10781 1 18 . 1 1 46 46 GLU H H 46 8.250 8.250 8.664 -0.414 18485 10782 1 18 . 1 1 47 47 TYR N N 47 119.617 119.617 119.055 0.562 18485 10783 1 18 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.236 0.062 18485 10784 1 18 . 1 1 47 47 TYR C C 47 173.798 173.798 174.470 -0.672 18485 10785 1 18 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.517 0.307 18485 10786 1 18 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.137 0.934 18485 10787 1 18 . 1 1 47 47 TYR H H 47 7.874 7.874 7.780 0.094 18485 10788 1 18 . 1 1 48 48 THR N N 48 117.577 117.577 117.584 -0.007 18485 10789 1 18 . 1 1 48 48 THR HA H 48 4.266 4.266 4.442 -0.176 18485 10790 1 18 . 1 1 48 48 THR C C 48 171.941 171.941 172.878 -0.937 18485 10791 1 18 . 1 1 48 48 THR CA C 48 62.299 62.299 61.493 0.806 18485 10792 1 18 . 1 1 48 48 THR CB C 48 70.899 70.899 70.791 0.108 18485 10793 1 18 . 1 1 48 48 THR H H 48 8.549 8.549 8.367 0.182 18485 10794 1 18 . 1 1 49 49 SER N N 49 121.488 121.488 120.661 0.827 18485 10795 1 18 . 1 1 49 49 SER HA H 49 5.516 5.516 5.017 0.499 18485 10796 1 18 . 1 1 49 49 SER C C 49 173.691 173.691 173.320 0.371 18485 10797 1 18 . 1 1 49 49 SER CA C 49 55.758 55.758 56.869 -1.111 18485 10798 1 18 . 1 1 49 49 SER CB C 49 66.386 66.386 64.557 1.829 18485 10799 1 18 . 1 1 49 49 SER H H 49 8.536 8.536 8.413 0.123 18485 10800 1 18 . 1 1 50 50 PHE N N 50 124.791 124.791 125.464 -0.673 18485 10801 1 18 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.618 0.097 18485 10802 1 18 . 1 1 50 50 PHE C C 50 173.608 173.608 174.414 -0.806 18485 10803 1 18 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.263 0.076 18485 10804 1 18 . 1 1 50 50 PHE CB C 50 43.529 43.529 41.619 1.910 18485 10805 1 18 . 1 1 50 50 PHE H H 50 8.627 8.627 8.996 -0.369 18485 10806 1 18 . 1 1 51 51 ASP N N 51 120.606 120.606 123.591 -2.985 18485 10807 1 18 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.436 -0.066 18485 10808 1 18 . 1 1 51 51 ASP C C 51 178.779 178.779 177.793 0.986 18485 10809 1 18 . 1 1 51 51 ASP CA C 51 52.234 52.234 51.993 0.241 18485 10810 1 18 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.864 0.311 18485 10811 1 18 . 1 1 51 51 ASP H H 51 8.415 8.415 8.798 -0.383 18485 10812 1 18 . 1 1 52 52 VAL N N 52 119.623 119.623 120.618 -0.995 18485 10813 1 18 . 1 1 52 52 VAL HA H 52 4.106 4.106 3.965 0.141 18485 10814 1 18 . 1 1 52 52 VAL C C 52 176.682 176.682 176.513 0.169 18485 10815 1 18 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.438 -1.111 18485 10816 1 18 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.915 -0.140 18485 10817 1 18 . 1 1 52 52 VAL H H 52 9.307 9.307 8.408 0.899 18485 10818 1 18 . 1 1 53 53 LEU N N 53 118.392 118.392 119.357 -0.965 18485 10819 1 18 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.323 -0.065 18485 10820 1 18 . 1 1 53 53 LEU C C 53 179.153 179.153 178.130 1.023 18485 10821 1 18 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.201 -0.438 18485 10822 1 18 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.789 -0.754 18485 10823 1 18 . 1 1 53 53 LEU H H 53 9.008 9.008 8.630 0.378 18485 10824 1 18 . 1 1 54 54 ALA N N 54 119.577 119.577 121.127 -1.550 18485 10825 1 18 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.241 -0.001 18485 10826 1 18 . 1 1 54 54 ALA C C 54 177.657 177.657 177.308 0.349 18485 10827 1 18 . 1 1 54 54 ALA CA C 54 53.388 53.388 53.088 0.300 18485 10828 1 18 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.049 0.070 18485 10829 1 18 . 1 1 54 54 ALA H H 54 7.304 7.304 7.534 -0.230 18485 10830 1 18 . 1 1 55 55 HIS N N 55 114.383 114.383 116.323 -1.940 18485 10831 1 18 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.819 0.305 18485 10832 1 18 . 1 1 55 55 HIS C C 55 174.238 174.238 173.086 1.152 18485 10833 1 18 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.672 -0.578 18485 10834 1 18 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.171 1.618 18485 10835 1 18 . 1 1 55 55 HIS H H 55 6.894 6.894 7.884 -0.990 18485 10836 1 18 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.175 0.151 18485 10837 1 18 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.458 -0.196 18485 10838 1 18 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.242 -0.201 18485 10839 1 18 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.807 0.180 18485 10840 1 18 . 1 1 57 57 VAL C C 57 177.804 177.804 178.345 -0.541 18485 10841 1 18 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.138 -0.811 18485 10842 1 18 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.309 -0.088 18485 10843 1 18 . 1 1 57 57 VAL H H 57 9.778 9.778 8.078 1.700 18485 10844 1 18 . 1 1 58 58 VAL N N 58 120.641 120.641 119.338 1.303 18485 10845 1 18 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.662 -0.130 18485 10846 1 18 . 1 1 58 58 VAL C C 58 177.270 177.270 177.556 -0.286 18485 10847 1 18 . 1 1 58 58 VAL CA C 58 65.910 65.910 67.053 -1.143 18485 10848 1 18 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.581 -0.159 18485 10849 1 18 . 1 1 58 58 VAL H H 58 7.540 7.540 7.943 -0.403 18485 10850 1 18 . 1 1 59 59 ARG N N 59 118.263 118.263 118.713 -0.450 18485 10851 1 18 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.125 -0.211 18485 10852 1 18 . 1 1 59 59 ARG C C 59 178.579 178.579 178.590 -0.011 18485 10853 1 18 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.156 0.823 18485 10854 1 18 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.617 0.335 18485 10855 1 18 . 1 1 59 59 ARG H H 59 7.536 7.536 7.824 -0.288 18485 10856 1 18 . 1 1 60 60 SER N N 60 113.091 113.091 117.221 -4.130 18485 10857 1 18 . 1 1 60 60 SER HA H 60 4.161 4.161 4.198 -0.037 18485 10858 1 18 . 1 1 60 60 SER C C 60 175.761 175.761 176.451 -0.690 18485 10859 1 18 . 1 1 60 60 SER CA C 60 61.435 61.435 62.387 -0.952 18485 10860 1 18 . 1 1 60 60 SER CB C 60 62.721 62.721 62.988 -0.267 18485 10861 1 18 . 1 1 60 60 SER H H 60 8.204 8.204 8.481 -0.277 18485 10862 1 18 . 1 1 61 61 TYR N N 61 123.436 123.436 124.123 -0.687 18485 10863 1 18 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.101 -0.219 18485 10864 1 18 . 1 1 61 61 TYR C C 61 177.731 177.731 177.319 0.412 18485 10865 1 18 . 1 1 61 61 TYR CA C 61 62.028 62.028 62.002 0.026 18485 10866 1 18 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.308 0.847 18485 10867 1 18 . 1 1 61 61 TYR H H 61 8.024 8.024 8.172 -0.148 18485 10868 1 18 . 1 1 62 62 VAL N N 62 115.253 115.253 118.415 -3.162 18485 10869 1 18 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.339 0.190 18485 10870 1 18 . 1 1 62 62 VAL C C 62 176.990 176.990 177.658 -0.668 18485 10871 1 18 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.233 -1.009 18485 10872 1 18 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.327 0.109 18485 10873 1 18 . 1 1 62 62 VAL H H 62 7.754 7.754 7.611 0.143 18485 10874 1 18 . 1 1 63 63 LYS N N 63 117.543 117.543 118.848 -1.305 18485 10875 1 18 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.930 0.099 18485 10876 1 18 . 1 1 63 63 LYS C C 63 177.549 177.549 178.977 -1.428 18485 10877 1 18 . 1 1 63 63 LYS CA C 63 58.327 58.327 59.111 -0.784 18485 10878 1 18 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.236 0.525 18485 10879 1 18 . 1 1 63 63 LYS H H 63 7.367 7.367 8.026 -0.659 18485 10880 1 18 . 1 1 64 64 GLU N N 64 116.093 116.093 115.266 0.827 18485 10881 1 18 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.254 -0.140 18485 10882 1 18 . 1 1 64 64 GLU C C 64 177.547 177.547 177.977 -0.430 18485 10883 1 18 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.920 -0.415 18485 10884 1 18 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.780 -0.403 18485 10885 1 18 . 1 1 64 64 GLU H H 64 7.701 7.701 7.788 -0.087 18485 10886 1 18 . 1 1 65 65 VAL N N 65 116.739 116.739 116.831 -0.092 18485 10887 1 18 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.054 -0.219 18485 10888 1 18 . 1 1 65 65 VAL C C 65 176.335 176.335 176.111 0.224 18485 10889 1 18 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.007 0.489 18485 10890 1 18 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.802 -0.559 18485 10891 1 18 . 1 1 65 65 VAL H H 65 7.608 7.608 7.868 -0.260 18485 10892 1 18 . 1 1 66 66 SER N N 66 114.353 114.353 116.050 -1.697 18485 10893 1 18 . 1 1 66 66 SER HA H 66 4.230 4.230 4.623 -0.393 18485 10894 1 18 . 1 1 66 66 SER C C 66 174.345 174.345 174.636 -0.291 18485 10895 1 18 . 1 1 66 66 SER CA C 66 58.038 58.038 56.753 1.285 18485 10896 1 18 . 1 1 66 66 SER CB C 66 63.898 63.898 62.846 1.052 18485 10897 1 18 . 1 1 66 66 SER H H 66 7.526 7.526 7.481 0.045 18485 10898 1 18 . 1 1 67 67 GLU N N 67 121.681 121.681 121.820 -0.139 18485 10899 1 18 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.259 -0.394 18485 10900 1 18 . 1 1 67 67 GLU C C 67 175.748 175.748 176.577 -0.829 18485 10901 1 18 . 1 1 67 67 GLU CA C 67 57.845 57.845 56.911 0.934 18485 10902 1 18 . 1 1 67 67 GLU CB C 67 29.380 29.380 29.469 -0.089 18485 10903 1 18 . 1 1 67 67 GLU H H 67 7.966 7.966 8.298 -0.332 18485 10904 1 18 . 1 1 68 68 TRP N N 68 119.264 119.264 121.811 -2.547 18485 10905 1 18 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.423 0.512 18485 10906 1 18 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.329 -1.473 18485 10907 1 18 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.525 1.192 18485 10908 1 18 . 1 1 68 68 TRP H H 68 7.633 7.633 7.549 0.084 18485 10909 1 18 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.192 0.250 18485 10910 1 18 . 1 1 69 69 PRO C C 69 176.375 176.375 176.096 0.279 18485 10911 1 18 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.005 -0.438 18485 10912 1 18 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.651 -0.138 18485 10913 1 18 . 1 1 70 70 THR N N 70 114.312 114.312 115.588 -1.276 18485 10914 1 18 . 1 1 70 70 THR HA H 70 4.344 4.344 4.294 0.050 18485 10915 1 18 . 1 1 70 70 THR C C 70 172.275 172.275 174.203 -1.928 18485 10916 1 18 . 1 1 70 70 THR CA C 70 61.465 61.465 63.042 -1.577 18485 10917 1 18 . 1 1 70 70 THR CB C 70 70.433 70.433 69.438 0.995 18485 10918 1 18 . 1 1 70 70 THR H H 70 7.162 7.162 7.440 -0.278 18485 10919 1 18 . 1 1 71 71 ILE N N 71 123.770 123.770 126.644 -2.874 18485 10920 1 18 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.532 -0.030 18485 10921 1 18 . 1 1 71 71 ILE C C 71 175.106 175.106 175.122 -0.016 18485 10922 1 18 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.143 -1.388 18485 10923 1 18 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.921 1.156 18485 10924 1 18 . 1 1 71 71 ILE H H 71 8.398 8.398 8.414 -0.016 18485 10925 1 18 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.144 0.414 18485 10926 1 18 . 1 1 72 72 PRO C C 72 175.507 175.507 175.821 -0.314 18485 10927 1 18 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.423 0.015 18485 10928 1 18 . 1 1 72 72 PRO CB C 72 37.656 37.656 32.921 4.735 18485 10929 1 18 . 1 1 73 73 GLN N N 73 112.013 112.013 115.752 -3.739 18485 10930 1 18 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.283 -0.191 18485 10931 1 18 . 1 1 73 73 GLN C C 73 174.559 174.559 174.278 0.281 18485 10932 1 18 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.556 0.973 18485 10933 1 18 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.322 1.118 18485 10934 1 18 . 1 1 73 73 GLN H H 73 8.521 8.521 8.737 -0.216 18485 10935 1 18 . 1 1 74 74 LEU N N 74 124.684 124.684 121.184 3.500 18485 10936 1 18 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.341 -0.009 18485 10937 1 18 . 1 1 74 74 LEU C C 74 172.761 172.761 174.625 -1.864 18485 10938 1 18 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.736 0.819 18485 10939 1 18 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.421 0.622 18485 10940 1 18 . 1 1 74 74 LEU H H 74 8.266 8.266 8.854 -0.588 18485 10941 1 18 . 1 1 75 75 PHE N N 75 126.827 126.827 122.867 3.960 18485 10942 1 18 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.541 -0.298 18485 10943 1 18 . 1 1 75 75 PHE C C 75 174.813 174.813 174.786 0.027 18485 10944 1 18 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.668 0.400 18485 10945 1 18 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.622 -0.973 18485 10946 1 18 . 1 1 75 75 PHE H H 75 9.692 9.692 9.239 0.453 18485 10947 1 18 . 1 1 76 76 ILE N N 76 118.421 118.421 122.400 -3.979 18485 10948 1 18 . 1 1 76 76 ILE HA H 76 5.103 5.103 5.010 0.093 18485 10949 1 18 . 1 1 76 76 ILE C C 76 176.242 176.242 176.315 -0.073 18485 10950 1 18 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.084 0.109 18485 10951 1 18 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.373 0.152 18485 10952 1 18 . 1 1 76 76 ILE H H 76 8.612 8.612 9.212 -0.600 18485 10953 1 18 . 1 1 77 77 LYS N N 77 129.856 129.856 126.387 3.469 18485 10954 1 18 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.926 0.266 18485 10955 1 18 . 1 1 77 77 LYS C C 77 175.887 175.887 176.418 -0.531 18485 10956 1 18 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.203 -0.602 18485 10957 1 18 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.461 1.138 18485 10958 1 18 . 1 1 77 77 LYS H H 77 10.357 10.357 9.210 1.147 18485 10959 1 18 . 1 1 78 78 ALA N N 78 114.323 114.323 117.571 -3.248 18485 10960 1 18 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.115 -0.277 18485 10961 1 18 . 1 1 78 78 ALA C C 78 175.949 175.949 176.257 -0.308 18485 10962 1 18 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.595 -0.077 18485 10963 1 18 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.056 0.179 18485 10964 1 18 . 1 1 78 78 ALA H H 78 9.554 9.554 8.753 0.801 18485 10965 1 18 . 1 1 79 79 GLU N N 79 120.498 120.498 118.320 2.178 18485 10966 1 18 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.794 -0.030 18485 10967 1 18 . 1 1 79 79 GLU C C 79 175.200 175.200 174.714 0.486 18485 10968 1 18 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.336 0.435 18485 10969 1 18 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.120 -1.118 18485 10970 1 18 . 1 1 79 79 GLU H H 79 8.219 8.219 7.808 0.411 18485 10971 1 18 . 1 1 80 80 PHE N N 80 125.962 125.962 125.428 0.534 18485 10972 1 18 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.574 -0.182 18485 10973 1 18 . 1 1 80 80 PHE C C 80 175.280 175.280 174.619 0.661 18485 10974 1 18 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.250 0.009 18485 10975 1 18 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.113 -0.565 18485 10976 1 18 . 1 1 80 80 PHE H H 80 8.935 8.935 8.741 0.194 18485 10977 1 18 . 1 1 81 81 VAL N N 81 128.637 128.637 125.266 3.371 18485 10978 1 18 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.745 0.024 18485 10979 1 18 . 1 1 81 81 VAL C C 81 174.733 174.733 175.159 -0.426 18485 10980 1 18 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.123 0.916 18485 10981 1 18 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.081 -0.443 18485 10982 1 18 . 1 1 81 81 VAL H H 81 8.288 8.288 8.089 0.199 18485 10983 1 18 . 1 1 82 82 GLY N N 82 100.310 100.310 104.536 -4.226 18485 10984 1 18 . 1 1 82 82 GLY C C 82 172.515 172.515 172.269 0.246 18485 10985 1 18 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.217 1.003 18485 10986 1 18 . 1 1 82 82 GLY H H 82 5.816 5.816 6.576 -0.760 18485 10987 1 18 . 1 1 83 83 GLY N N 83 104.342 104.342 105.853 -1.511 18485 10988 1 18 . 1 1 83 83 GLY C C 83 173.758 173.758 174.856 -1.098 18485 10989 1 18 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.515 0.308 18485 10990 1 18 . 1 1 83 83 GLY H H 83 7.401 7.401 8.121 -0.720 18485 10991 1 18 . 1 1 84 84 LEU N N 84 118.350 118.350 121.484 -3.134 18485 10992 1 18 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.180 -0.399 18485 10993 1 18 . 1 1 84 84 LEU C C 84 178.245 178.245 178.408 -0.163 18485 10994 1 18 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.727 0.527 18485 10995 1 18 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.704 0.898 18485 10996 1 18 . 1 1 84 84 LEU H H 84 8.807 8.807 8.525 0.282 18485 10997 1 18 . 1 1 85 85 ASP N N 85 118.373 118.373 116.758 1.615 18485 10998 1 18 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.332 -0.066 18485 10999 1 18 . 1 1 85 85 ASP C C 85 178.296 178.296 177.589 0.707 18485 11000 1 18 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.053 0.559 18485 11001 1 18 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.241 -0.742 18485 11002 1 18 . 1 1 85 85 ASP H H 85 8.697 8.697 8.522 0.175 18485 11003 1 18 . 1 1 86 86 ILE N N 86 120.495 120.495 117.974 2.521 18485 11004 1 18 . 1 1 86 86 ILE HA H 86 3.846 3.846 4.040 -0.194 18485 11005 1 18 . 1 1 86 86 ILE C C 86 177.657 177.657 178.121 -0.464 18485 11006 1 18 . 1 1 86 86 ILE CA C 86 62.858 62.858 62.217 0.641 18485 11007 1 18 . 1 1 86 86 ILE CB C 86 37.513 37.513 38.093 -0.580 18485 11008 1 18 . 1 1 86 86 ILE H H 86 7.605 7.605 7.425 0.180 18485 11009 1 18 . 1 1 87 87 VAL N N 87 120.596 120.596 117.876 2.720 18485 11010 1 18 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.709 -0.402 18485 11011 1 18 . 1 1 87 87 VAL C C 87 177.629 177.629 177.898 -0.269 18485 11012 1 18 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.664 1.047 18485 11013 1 18 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.307 1.358 18485 11014 1 18 . 1 1 87 87 VAL H H 87 7.934 7.934 7.631 0.303 18485 11015 1 18 . 1 1 88 88 THR N N 88 112.971 112.971 111.342 1.629 18485 11016 1 18 . 1 1 88 88 THR HA H 88 3.822 3.822 4.038 -0.216 18485 11017 1 18 . 1 1 88 88 THR C C 88 176.896 176.896 176.575 0.321 18485 11018 1 18 . 1 1 88 88 THR CA C 88 66.898 66.898 65.814 1.083 18485 11019 1 18 . 1 1 88 88 THR CB C 88 68.370 68.370 68.649 -0.279 18485 11020 1 18 . 1 1 88 88 THR H H 88 8.719 8.719 7.755 0.964 18485 11021 1 18 . 1 1 89 89 LYS N N 89 123.633 123.633 122.498 1.135 18485 11022 1 18 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.144 0.005 18485 11023 1 18 . 1 1 89 89 LYS C C 89 179.648 179.648 178.879 0.769 18485 11024 1 18 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.324 0.302 18485 11025 1 18 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.181 -0.092 18485 11026 1 18 . 1 1 89 89 LYS H H 89 7.568 7.568 7.614 -0.046 18485 11027 1 18 . 1 1 90 90 MET N N 90 118.147 118.147 119.211 -1.064 18485 11028 1 18 . 1 1 90 90 MET HA H 90 4.333 4.333 4.201 0.132 18485 11029 1 18 . 1 1 90 90 MET C C 90 179.634 179.634 178.897 0.737 18485 11030 1 18 . 1 1 90 90 MET CA C 90 58.590 58.590 58.964 -0.374 18485 11031 1 18 . 1 1 90 90 MET CB C 90 34.033 34.033 32.743 1.290 18485 11032 1 18 . 1 1 90 90 MET H H 90 8.520 8.520 8.365 0.155 18485 11033 1 18 . 1 1 91 91 LEU N N 91 124.789 124.789 121.939 2.850 18485 11034 1 18 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.923 0.277 18485 11035 1 18 . 1 1 91 91 LEU C C 91 179.696 179.696 178.346 1.350 18485 11036 1 18 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.923 0.158 18485 11037 1 18 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.939 -0.078 18485 11038 1 18 . 1 1 91 91 LEU H H 91 8.792 8.792 8.008 0.784 18485 11039 1 18 . 1 1 92 92 GLU N N 92 118.965 118.965 117.259 1.706 18485 11040 1 18 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.080 -0.063 18485 11041 1 18 . 1 1 92 92 GLU C C 92 178.352 178.352 178.462 -0.110 18485 11042 1 18 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.616 0.462 18485 11043 1 18 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.651 0.040 18485 11044 1 18 . 1 1 92 92 GLU H H 92 7.999 7.999 7.737 0.262 18485 11045 1 18 . 1 1 93 93 SER N N 93 111.381 111.381 112.437 -1.056 18485 11046 1 18 . 1 1 93 93 SER HA H 93 4.406 4.406 4.444 -0.038 18485 11047 1 18 . 1 1 93 93 SER C C 93 175.948 175.948 175.621 0.327 18485 11048 1 18 . 1 1 93 93 SER CA C 93 59.192 59.192 58.487 0.705 18485 11049 1 18 . 1 1 93 93 SER CB C 93 64.227 64.227 63.960 0.267 18485 11050 1 18 . 1 1 93 93 SER H H 93 8.270 8.270 7.689 0.581 18485 11051 1 18 . 1 1 94 94 GLY N N 94 109.172 109.172 110.113 -0.941 18485 11052 1 18 . 1 1 94 94 GLY C C 94 174.906 174.906 175.006 -0.100 18485 11053 1 18 . 1 1 94 94 GLY CA C 94 45.383 45.383 45.740 -0.357 18485 11054 1 18 . 1 1 94 94 GLY H H 94 7.406 7.406 7.823 -0.417 18485 11055 1 18 . 1 1 95 95 ASP N N 95 122.640 122.640 122.260 0.380 18485 11056 1 18 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.497 -0.018 18485 11057 1 18 . 1 1 95 95 ASP C C 95 178.486 178.486 177.644 0.842 18485 11058 1 18 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.049 0.202 18485 11059 1 18 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.948 0.422 18485 11060 1 18 . 1 1 95 95 ASP H H 95 8.337 8.337 7.699 0.638 18485 11061 1 18 . 1 1 96 96 LEU N N 96 122.329 122.329 120.736 1.593 18485 11062 1 18 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.101 -0.020 18485 11063 1 18 . 1 1 96 96 LEU C C 96 177.070 177.070 178.093 -1.023 18485 11064 1 18 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.506 -0.546 18485 11065 1 18 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.508 -0.606 18485 11066 1 18 . 1 1 96 96 LEU H H 96 7.992 7.992 7.958 0.034 18485 11067 1 18 . 1 1 97 97 LYS N N 97 118.159 118.159 118.377 -0.218 18485 11068 1 18 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.881 0.040 18485 11069 1 18 . 1 1 97 97 LYS C C 97 178.245 178.245 178.853 -0.608 18485 11070 1 18 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.970 0.130 18485 11071 1 18 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.974 -0.045 18485 11072 1 18 . 1 1 97 97 LYS H H 97 8.254 8.254 7.725 0.529 18485 11073 1 18 . 1 1 98 98 LYS N N 98 117.677 117.677 120.132 -2.455 18485 11074 1 18 . 1 1 98 98 LYS HA H 98 3.937 3.937 3.996 -0.059 18485 11075 1 18 . 1 1 98 98 LYS C C 98 177.471 177.471 178.769 -1.298 18485 11076 1 18 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.473 0.457 18485 11077 1 18 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.397 0.343 18485 11078 1 18 . 1 1 98 98 LYS H H 98 7.388 7.388 8.109 -0.721 18485 11079 1 18 . 1 1 99 99 MET N N 99 119.426 119.426 119.306 0.120 18485 11080 1 18 . 1 1 99 99 MET HA H 99 4.138 4.138 4.120 0.018 18485 11081 1 18 . 1 1 99 99 MET C C 99 178.018 178.018 178.481 -0.463 18485 11082 1 18 . 1 1 99 99 MET CA C 99 59.151 59.151 59.010 0.141 18485 11083 1 18 . 1 1 99 99 MET CB C 99 32.550 32.550 32.623 -0.073 18485 11084 1 18 . 1 1 99 99 MET H H 99 7.934 7.934 7.873 0.061 18485 11085 1 18 . 1 1 100 100 LEU N N 100 118.006 118.006 119.012 -1.006 18485 11086 1 18 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.857 -0.066 18485 11087 1 18 . 1 1 100 100 LEU C C 100 178.592 178.592 178.824 -0.232 18485 11088 1 18 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.180 0.422 18485 11089 1 18 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.331 -0.631 18485 11090 1 18 . 1 1 100 100 LEU H H 100 8.131 8.131 7.823 0.308 18485 11091 1 18 . 1 1 101 101 ARG N N 101 118.551 118.551 118.548 0.003 18485 11092 1 18 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.006 0.120 18485 11093 1 18 . 1 1 101 101 ARG C C 101 181.117 181.117 178.488 2.629 18485 11094 1 18 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.865 0.412 18485 11095 1 18 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.650 0.142 18485 11096 1 18 . 1 1 101 101 ARG H H 101 8.045 8.045 7.870 0.175 18485 11097 1 18 . 1 1 102 102 ASP N N 102 122.544 122.544 120.893 1.651 18485 11098 1 18 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.493 -0.088 18485 11099 1 18 . 1 1 102 102 ASP C C 102 178.405 178.405 178.241 0.164 18485 11100 1 18 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.606 0.696 18485 11101 1 18 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.910 -0.597 18485 11102 1 18 . 1 1 102 102 ASP H H 102 8.828 8.828 8.346 0.482 18485 11103 1 18 . 1 1 103 103 LYS N N 103 116.177 116.177 116.757 -0.580 18485 11104 1 18 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.457 -0.061 18485 11105 1 18 . 1 1 103 103 LYS C C 103 176.282 176.282 176.391 -0.109 18485 11106 1 18 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.960 0.364 18485 11107 1 18 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.884 -0.169 18485 11108 1 18 . 1 1 103 103 LYS H H 103 7.847 7.847 8.080 -0.233 18485 11109 1 18 . 1 1 104 104 GLY N N 104 108.597 108.597 106.687 1.910 18485 11110 1 18 . 1 1 104 104 GLY C C 104 174.450 174.450 174.681 -0.231 18485 11111 1 18 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.189 1.134 18485 11112 1 18 . 1 1 104 104 GLY H H 104 7.930 7.930 7.538 0.392 18485 11113 1 18 . 1 1 105 105 ILE N N 105 123.232 123.232 120.096 3.136 18485 11114 1 18 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.339 -0.230 18485 11115 1 18 . 1 1 105 105 ILE C C 105 175.374 175.374 176.556 -1.182 18485 11116 1 18 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.366 0.277 18485 11117 1 18 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.223 -0.535 18485 11118 1 18 . 1 1 105 105 ILE H H 105 8.323 8.323 8.132 0.191 18485 11119 1 18 . 1 1 106 106 THR N N 106 123.522 123.522 121.490 2.032 18485 11120 1 18 . 1 1 106 106 THR HA H 106 4.155 4.155 4.286 -0.131 18485 11121 1 18 . 1 1 106 106 THR C C 106 173.223 173.223 173.606 -0.383 18485 11122 1 18 . 1 1 106 106 THR CA C 106 63.189 63.189 63.536 -0.347 18485 11123 1 18 . 1 1 106 106 THR CB C 106 69.242 69.242 68.409 0.832 18485 11124 1 18 . 1 1 106 106 THR H H 106 8.521 8.521 8.579 -0.058 18485 11125 1 18 . 1 1 107 107 CYS N N 107 120.688 120.688 122.412 -1.724 18485 11126 1 18 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.271 -0.404 18485 11127 1 18 . 1 1 107 107 CYS C C 107 173.798 173.798 173.574 0.224 18485 11128 1 18 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.480 0.072 18485 11129 1 18 . 1 1 107 107 CYS CB C 107 30.462 30.462 30.785 -0.323 18485 11130 1 18 . 1 1 107 107 CYS H H 107 8.247 8.247 8.194 0.053 18485 11131 1 18 . 1 1 108 108 ARG N N 108 122.349 122.349 121.051 1.298 18485 11132 1 18 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.329 -0.038 18485 11133 1 18 . 1 1 108 108 ARG C C 108 175.547 175.547 176.295 -0.748 18485 11134 1 18 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.391 -0.091 18485 11135 1 18 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.732 0.544 18485 11136 1 18 . 1 1 108 108 ARG H H 108 8.512 8.512 8.275 0.237 18485 11137 1 18 . 1 1 109 109 ASP N N 109 121.453 121.453 119.927 1.526 18485 11138 1 18 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.495 0.130 18485 11139 1 18 . 1 1 109 109 ASP C C 109 174.973 174.973 176.849 -1.876 18485 11140 1 18 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.013 -0.774 18485 11141 1 18 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.356 -0.400 18485 11142 1 18 . 1 1 109 109 ASP H H 109 8.399 8.399 8.402 -0.003 18485 11143 1 19 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.340 0.072 18485 11144 1 19 . 1 1 2 2 ALA C C 2 177.283 177.283 176.663 0.620 18485 11145 1 19 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.895 0.389 18485 11146 1 19 . 1 1 2 2 ALA CB C 2 19.504 19.504 19.606 -0.102 18485 11147 1 19 . 1 1 3 3 MET N N 3 121.052 121.052 125.251 -4.199 18485 11148 1 19 . 1 1 3 3 MET HA H 3 4.458 4.458 5.007 -0.549 18485 11149 1 19 . 1 1 3 3 MET C C 3 175.185 175.185 175.120 0.065 18485 11150 1 19 . 1 1 3 3 MET CA C 3 56.001 56.001 54.610 1.391 18485 11151 1 19 . 1 1 3 3 MET CB C 3 34.282 34.282 34.711 -0.429 18485 11152 1 19 . 1 1 3 3 MET H H 3 8.313 8.313 8.274 0.039 18485 11153 1 19 . 1 1 4 4 VAL N N 4 116.976 116.976 120.160 -3.184 18485 11154 1 19 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.710 -0.068 18485 11155 1 19 . 1 1 4 4 VAL C C 4 176.976 176.976 176.524 0.452 18485 11156 1 19 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.295 0.457 18485 11157 1 19 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.068 0.810 18485 11158 1 19 . 1 1 4 4 VAL H H 4 8.432 8.432 8.955 -0.523 18485 11159 1 19 . 1 1 5 5 LYS N N 5 123.795 123.795 123.105 0.690 18485 11160 1 19 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.072 -0.486 18485 11161 1 19 . 1 1 5 5 LYS C C 5 178.205 178.205 178.203 0.002 18485 11162 1 19 . 1 1 5 5 LYS CA C 5 61.062 61.062 60.006 1.056 18485 11163 1 19 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.111 0.112 18485 11164 1 19 . 1 1 5 5 LYS H H 5 8.725 8.725 8.792 -0.067 18485 11165 1 19 . 1 1 6 6 LYS N N 6 117.559 117.559 118.582 -1.023 18485 11166 1 19 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.088 -0.014 18485 11167 1 19 . 1 1 6 6 LYS C C 6 176.976 176.976 178.592 -1.616 18485 11168 1 19 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.116 -0.097 18485 11169 1 19 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.817 0.841 18485 11170 1 19 . 1 1 6 6 LYS H H 6 8.395 8.395 8.414 -0.019 18485 11171 1 19 . 1 1 7 7 ASP N N 7 116.710 116.710 119.433 -2.723 18485 11172 1 19 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.492 -0.128 18485 11173 1 19 . 1 1 7 7 ASP C C 7 179.180 179.180 178.590 0.590 18485 11174 1 19 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.270 0.140 18485 11175 1 19 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.530 0.345 18485 11176 1 19 . 1 1 7 7 ASP H H 7 7.415 7.415 8.062 -0.647 18485 11177 1 19 . 1 1 8 8 ILE N N 8 120.990 120.990 120.032 0.958 18485 11178 1 19 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.598 -0.321 18485 11179 1 19 . 1 1 8 8 ILE C C 8 177.537 177.537 177.327 0.210 18485 11180 1 19 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.934 -0.374 18485 11181 1 19 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.461 -0.391 18485 11182 1 19 . 1 1 8 8 ILE H H 8 7.302 7.302 7.334 -0.032 18485 11183 1 19 . 1 1 9 9 ASP N N 9 120.214 120.214 120.971 -0.757 18485 11184 1 19 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.432 -0.225 18485 11185 1 19 . 1 1 9 9 ASP C C 9 178.564 178.564 178.413 0.151 18485 11186 1 19 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.815 0.193 18485 11187 1 19 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.213 0.669 18485 11188 1 19 . 1 1 9 9 ASP H H 9 7.884 7.884 8.027 -0.143 18485 11189 1 19 . 1 1 10 10 ASP N N 10 117.314 117.314 118.630 -1.316 18485 11190 1 19 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.433 -0.109 18485 11191 1 19 . 1 1 10 10 ASP C C 10 179.340 179.340 178.529 0.811 18485 11192 1 19 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.108 0.078 18485 11193 1 19 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.067 -1.154 18485 11194 1 19 . 1 1 10 10 ASP H H 10 8.856 8.856 8.288 0.568 18485 11195 1 19 . 1 1 11 11 THR N N 11 119.032 119.032 117.011 2.021 18485 11196 1 19 . 1 1 11 11 THR HA H 11 4.061 4.061 4.051 0.010 18485 11197 1 19 . 1 1 11 11 THR C C 11 175.574 175.574 176.470 -0.896 18485 11198 1 19 . 1 1 11 11 THR CA C 11 67.210 67.210 67.145 0.065 18485 11199 1 19 . 1 1 11 11 THR CB C 11 68.319 68.319 68.824 -0.505 18485 11200 1 19 . 1 1 11 11 THR H H 11 7.670 7.670 7.793 -0.123 18485 11201 1 19 . 1 1 12 12 ILE N N 12 122.228 122.228 120.870 1.358 18485 11202 1 19 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.729 -0.090 18485 11203 1 19 . 1 1 12 12 ILE C C 12 177.455 177.455 177.605 -0.150 18485 11204 1 19 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.992 -0.083 18485 11205 1 19 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.625 -0.047 18485 11206 1 19 . 1 1 12 12 ILE H H 12 8.303 8.303 8.392 -0.089 18485 11207 1 19 . 1 1 13 13 LYS N N 13 114.462 114.462 117.559 -3.097 18485 11208 1 19 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.224 -0.090 18485 11209 1 19 . 1 1 13 13 LYS C C 13 177.547 177.547 177.168 0.379 18485 11210 1 19 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.165 0.235 18485 11211 1 19 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.857 0.149 18485 11212 1 19 . 1 1 13 13 LYS H H 13 7.709 7.709 7.522 0.187 18485 11213 1 19 . 1 1 14 14 SER N N 14 112.642 112.642 112.331 0.311 18485 11214 1 19 . 1 1 14 14 SER HA H 14 4.551 4.551 4.531 0.020 18485 11215 1 19 . 1 1 14 14 SER C C 14 174.532 174.532 174.188 0.344 18485 11216 1 19 . 1 1 14 14 SER CA C 14 59.744 59.744 58.791 0.953 18485 11217 1 19 . 1 1 14 14 SER CB C 14 65.009 65.009 65.090 -0.081 18485 11218 1 19 . 1 1 14 14 SER H H 14 7.749 7.749 7.670 0.079 18485 11219 1 19 . 1 1 15 15 GLU N N 15 121.266 121.266 121.834 -0.568 18485 11220 1 19 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.450 0.114 18485 11221 1 19 . 1 1 15 15 GLU C C 15 176.789 176.789 176.004 0.785 18485 11222 1 19 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.442 -0.997 18485 11223 1 19 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.943 -0.617 18485 11224 1 19 . 1 1 15 15 GLU H H 15 8.101 8.101 7.918 0.183 18485 11225 1 19 . 1 1 16 16 ASP N N 16 122.253 122.253 120.302 1.951 18485 11226 1 19 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.776 -0.436 18485 11227 1 19 . 1 1 16 16 ASP C C 16 176.469 176.469 175.884 0.585 18485 11228 1 19 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.505 2.254 18485 11229 1 19 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.139 -1.321 18485 11230 1 19 . 1 1 16 16 ASP H H 16 8.685 8.685 8.832 -0.147 18485 11231 1 19 . 1 1 17 17 VAL N N 17 118.536 118.536 117.833 0.703 18485 11232 1 19 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.896 0.019 18485 11233 1 19 . 1 1 17 17 VAL C C 17 174.452 174.452 173.917 0.535 18485 11234 1 19 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.330 0.573 18485 11235 1 19 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.916 -0.539 18485 11236 1 19 . 1 1 17 17 VAL H H 17 8.547 8.547 7.778 0.769 18485 11237 1 19 . 1 1 18 18 VAL N N 18 125.917 125.917 127.391 -1.474 18485 11238 1 19 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.275 -0.020 18485 11239 1 19 . 1 1 18 18 VAL C C 18 174.158 174.158 174.487 -0.329 18485 11240 1 19 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.633 -0.531 18485 11241 1 19 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.016 0.040 18485 11242 1 19 . 1 1 18 18 VAL H H 18 8.755 8.755 9.063 -0.308 18485 11243 1 19 . 1 1 19 19 THR N N 19 120.107 120.107 118.030 2.077 18485 11244 1 19 . 1 1 19 19 THR HA H 19 5.795 5.795 5.272 0.523 18485 11245 1 19 . 1 1 19 19 THR C C 19 171.126 171.126 172.695 -1.569 18485 11246 1 19 . 1 1 19 19 THR CA C 19 58.118 58.118 59.633 -1.515 18485 11247 1 19 . 1 1 19 19 THR CB C 19 72.547 72.547 71.221 1.326 18485 11248 1 19 . 1 1 19 19 THR H H 19 8.938 8.938 8.509 0.429 18485 11249 1 19 . 1 1 20 20 PHE N N 20 125.287 125.287 124.077 1.210 18485 11250 1 19 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.556 -0.052 18485 11251 1 19 . 1 1 20 20 PHE C C 20 175.200 175.200 175.000 0.200 18485 11252 1 19 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.781 -0.283 18485 11253 1 19 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.638 0.023 18485 11254 1 19 . 1 1 20 20 PHE H H 20 8.230 8.230 8.393 -0.163 18485 11255 1 19 . 1 1 21 21 ILE N N 21 114.660 114.660 116.043 -1.383 18485 11256 1 19 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.889 -0.077 18485 11257 1 19 . 1 1 21 21 ILE C C 21 173.918 173.918 174.355 -0.437 18485 11258 1 19 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.252 0.111 18485 11259 1 19 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.767 1.054 18485 11260 1 19 . 1 1 21 21 ILE H H 21 9.042 9.042 9.425 -0.383 18485 11261 1 19 . 1 1 22 22 LYS N N 22 117.197 117.197 122.950 -5.753 18485 11262 1 19 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.433 0.170 18485 11263 1 19 . 1 1 22 22 LYS C C 22 175.935 175.935 175.858 0.077 18485 11264 1 19 . 1 1 22 22 LYS CA C 22 56.698 56.698 56.186 0.512 18485 11265 1 19 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.105 2.088 18485 11266 1 19 . 1 1 22 22 LYS H H 22 8.581 8.581 8.673 -0.092 18485 11267 1 19 . 1 1 23 23 GLY N N 23 117.108 117.108 108.018 9.090 18485 11268 1 19 . 1 1 23 23 GLY C C 23 170.793 170.793 172.580 -1.787 18485 11269 1 19 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.707 -0.070 18485 11270 1 19 . 1 1 23 23 GLY H H 23 9.178 9.178 7.712 1.466 18485 11271 1 19 . 1 1 24 24 LEU N N 24 117.859 117.859 121.085 -3.226 18485 11272 1 19 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.571 0.289 18485 11273 1 19 . 1 1 24 24 LEU C C 24 176.709 176.709 175.902 0.807 18485 11274 1 19 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.235 -1.285 18485 11275 1 19 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.404 1.603 18485 11276 1 19 . 1 1 24 24 LEU H H 24 7.162 7.162 8.050 -0.888 18485 11277 1 19 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.457 -0.504 18485 11278 1 19 . 1 1 25 25 PRO C C 25 177.190 177.190 177.622 -0.432 18485 11279 1 19 . 1 1 25 25 PRO CA C 25 66.322 66.322 65.061 1.261 18485 11280 1 19 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.291 -0.567 18485 11281 1 19 . 1 1 26 26 GLU N N 26 111.260 111.260 117.523 -6.263 18485 11282 1 19 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.187 0.018 18485 11283 1 19 . 1 1 26 26 GLU C C 26 176.429 176.429 176.593 -0.164 18485 11284 1 19 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.805 -1.062 18485 11285 1 19 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.315 -0.617 18485 11286 1 19 . 1 1 26 26 GLU H H 26 8.807 8.807 8.329 0.478 18485 11287 1 19 . 1 1 27 27 ALA N N 27 122.547 122.547 123.311 -0.764 18485 11288 1 19 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.623 -0.036 18485 11289 1 19 . 1 1 27 27 ALA C C 27 172.342 172.342 174.961 -2.619 18485 11290 1 19 . 1 1 27 27 ALA CA C 27 50.884 50.884 49.955 0.929 18485 11291 1 19 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.803 -0.108 18485 11292 1 19 . 1 1 27 27 ALA H H 27 7.856 7.856 7.728 0.128 18485 11293 1 19 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.604 0.038 18485 11294 1 19 . 1 1 28 28 PRO C C 28 178.512 178.512 176.440 2.072 18485 11295 1 19 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.626 0.480 18485 11296 1 19 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.778 -0.713 18485 11297 1 19 . 1 1 29 29 MET N N 29 119.426 119.426 119.680 -0.254 18485 11298 1 19 . 1 1 29 29 MET HA H 29 4.758 4.758 4.506 0.252 18485 11299 1 19 . 1 1 29 29 MET C C 29 175.374 175.374 176.421 -1.047 18485 11300 1 19 . 1 1 29 29 MET CA C 29 54.594 54.594 56.601 -2.007 18485 11301 1 19 . 1 1 29 29 MET CB C 29 33.036 33.036 32.712 0.325 18485 11302 1 19 . 1 1 29 29 MET H H 29 8.828 8.828 8.708 0.120 18485 11303 1 19 . 1 1 30 30 CYS N N 30 116.089 116.089 117.986 -1.897 18485 11304 1 19 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.590 0.262 18485 11305 1 19 . 1 1 30 30 CYS C C 30 176.028 176.028 174.473 1.555 18485 11306 1 19 . 1 1 30 30 CYS CA C 30 58.725 58.725 58.162 0.563 18485 11307 1 19 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.426 1.833 18485 11308 1 19 . 1 1 30 30 CYS H H 30 7.455 7.455 7.604 -0.149 18485 11309 1 19 . 1 1 31 31 ALA HA H 31 4.080 4.080 3.942 0.138 18485 11310 1 19 . 1 1 31 31 ALA C C 31 180.222 180.222 178.642 1.580 18485 11311 1 19 . 1 1 31 31 ALA CA C 31 54.694 54.694 55.019 -0.325 18485 11312 1 19 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.276 0.405 18485 11313 1 19 . 1 1 32 32 TYR N N 32 121.972 121.972 116.842 5.130 18485 11314 1 19 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.239 0.094 18485 11315 1 19 . 1 1 32 32 TYR C C 32 178.673 178.673 178.172 0.501 18485 11316 1 19 . 1 1 32 32 TYR CA C 32 59.929 59.929 61.095 -1.166 18485 11317 1 19 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.496 -0.459 18485 11318 1 19 . 1 1 32 32 TYR H H 32 8.846 8.846 8.341 0.505 18485 11319 1 19 . 1 1 33 33 SER N N 33 125.375 125.375 115.409 9.966 18485 11320 1 19 . 1 1 33 33 SER HA H 33 4.013 4.013 4.201 -0.188 18485 11321 1 19 . 1 1 33 33 SER C C 33 174.906 174.906 176.349 -1.443 18485 11322 1 19 . 1 1 33 33 SER CA C 33 64.417 64.417 62.653 1.764 18485 11323 1 19 . 1 1 33 33 SER CB C 33 62.687 62.687 62.497 0.190 18485 11324 1 19 . 1 1 33 33 SER H H 33 10.272 10.272 8.007 2.265 18485 11325 1 19 . 1 1 34 34 LYS N N 34 121.216 121.216 122.752 -1.536 18485 11326 1 19 . 1 1 34 34 LYS HA H 34 3.853 3.853 4.032 -0.179 18485 11327 1 19 . 1 1 34 34 LYS C C 34 177.083 177.083 178.652 -1.569 18485 11328 1 19 . 1 1 34 34 LYS CA C 34 59.663 59.663 58.742 0.921 18485 11329 1 19 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.236 -0.086 18485 11330 1 19 . 1 1 34 34 LYS H H 34 8.024 8.024 8.085 -0.061 18485 11331 1 19 . 1 1 35 35 ARG N N 35 117.269 117.269 119.544 -2.275 18485 11332 1 19 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.061 0.088 18485 11333 1 19 . 1 1 35 35 ARG C C 35 178.058 178.058 178.829 -0.771 18485 11334 1 19 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.456 0.520 18485 11335 1 19 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.631 0.081 18485 11336 1 19 . 1 1 35 35 ARG H H 35 7.559 7.559 8.180 -0.621 18485 11337 1 19 . 1 1 36 36 MET N N 36 117.954 117.954 119.623 -1.669 18485 11338 1 19 . 1 1 36 36 MET HA H 36 4.068 4.068 4.157 -0.089 18485 11339 1 19 . 1 1 36 36 MET C C 36 176.963 176.963 177.783 -0.820 18485 11340 1 19 . 1 1 36 36 MET CA C 36 58.195 58.195 58.139 0.056 18485 11341 1 19 . 1 1 36 36 MET CB C 36 31.742 31.742 32.280 -0.538 18485 11342 1 19 . 1 1 36 36 MET H H 36 8.027 8.027 8.323 -0.296 18485 11343 1 19 . 1 1 37 37 ILE N N 37 118.650 118.650 119.093 -0.443 18485 11344 1 19 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.486 0.034 18485 11345 1 19 . 1 1 37 37 ILE C C 37 177.631 177.631 178.078 -0.447 18485 11346 1 19 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.620 -1.747 18485 11347 1 19 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.375 -1.203 18485 11348 1 19 . 1 1 37 37 ILE H H 37 7.825 7.825 7.538 0.287 18485 11349 1 19 . 1 1 38 38 ASP N N 38 119.229 119.229 120.862 -1.633 18485 11350 1 19 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.333 -0.003 18485 11351 1 19 . 1 1 38 38 ASP C C 38 180.208 180.208 178.594 1.614 18485 11352 1 19 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.597 -0.067 18485 11353 1 19 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.754 -0.784 18485 11354 1 19 . 1 1 38 38 ASP H H 38 8.629 8.629 8.432 0.197 18485 11355 1 19 . 1 1 39 39 VAL N N 39 121.475 121.475 120.449 1.026 18485 11356 1 19 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.621 -0.046 18485 11357 1 19 . 1 1 39 39 VAL C C 39 177.056 177.056 177.970 -0.914 18485 11358 1 19 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.652 0.158 18485 11359 1 19 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.678 -0.183 18485 11360 1 19 . 1 1 39 39 VAL H H 39 7.879 7.879 7.737 0.142 18485 11361 1 19 . 1 1 40 40 LEU N N 40 118.145 118.145 119.102 -0.957 18485 11362 1 19 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.891 -0.117 18485 11363 1 19 . 1 1 40 40 LEU C C 40 179.794 179.794 179.077 0.717 18485 11364 1 19 . 1 1 40 40 LEU CA C 40 58.164 58.164 58.184 -0.020 18485 11365 1 19 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.126 -0.529 18485 11366 1 19 . 1 1 40 40 LEU H H 40 7.574 7.574 7.607 -0.033 18485 11367 1 19 . 1 1 41 41 GLU N N 41 116.305 116.305 119.038 -2.733 18485 11368 1 19 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.214 0.083 18485 11369 1 19 . 1 1 41 41 GLU C C 41 181.117 181.117 179.261 1.856 18485 11370 1 19 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.041 -0.489 18485 11371 1 19 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.768 -0.647 18485 11372 1 19 . 1 1 41 41 GLU H H 41 8.871 8.871 8.704 0.167 18485 11373 1 19 . 1 1 42 42 ALA N N 42 124.797 124.797 122.247 2.550 18485 11374 1 19 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.190 -0.025 18485 11375 1 19 . 1 1 42 42 ALA C C 42 180.275 180.275 178.867 1.408 18485 11376 1 19 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.197 0.783 18485 11377 1 19 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.908 -1.249 18485 11378 1 19 . 1 1 42 42 ALA H H 42 8.285 8.285 8.052 0.233 18485 11379 1 19 . 1 1 43 43 LEU N N 43 115.767 115.767 116.659 -0.892 18485 11380 1 19 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.371 -0.122 18485 11381 1 19 . 1 1 43 43 LEU C C 43 177.177 177.177 177.376 -0.199 18485 11382 1 19 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.841 0.565 18485 11383 1 19 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.479 1.004 18485 11384 1 19 . 1 1 43 43 LEU H H 43 7.528 7.528 8.049 -0.521 18485 11385 1 19 . 1 1 44 44 GLY N N 44 108.593 108.593 107.252 1.341 18485 11386 1 19 . 1 1 44 44 GLY C C 44 175.011 175.011 174.587 0.424 18485 11387 1 19 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.411 0.930 18485 11388 1 19 . 1 1 44 44 GLY H H 44 7.927 7.927 7.564 0.363 18485 11389 1 19 . 1 1 45 45 LEU N N 45 117.269 117.269 118.138 -0.869 18485 11390 1 19 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.834 -0.382 18485 11391 1 19 . 1 1 45 45 LEU C C 45 176.976 176.976 176.904 0.072 18485 11392 1 19 . 1 1 45 45 LEU CA C 45 54.400 54.400 54.027 0.373 18485 11393 1 19 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.776 -0.060 18485 11394 1 19 . 1 1 45 45 LEU H H 45 7.482 7.482 8.245 -0.763 18485 11395 1 19 . 1 1 46 46 GLU N N 46 121.177 121.177 120.895 0.282 18485 11396 1 19 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.372 0.091 18485 11397 1 19 . 1 1 46 46 GLU C C 46 176.135 176.135 175.037 1.098 18485 11398 1 19 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.505 0.019 18485 11399 1 19 . 1 1 46 46 GLU CB C 46 30.233 30.233 31.083 -0.850 18485 11400 1 19 . 1 1 46 46 GLU H H 46 8.250 8.250 8.703 -0.453 18485 11401 1 19 . 1 1 47 47 TYR N N 47 119.617 119.617 119.961 -0.344 18485 11402 1 19 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.209 0.089 18485 11403 1 19 . 1 1 47 47 TYR C C 47 173.798 173.798 174.799 -1.001 18485 11404 1 19 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.386 0.438 18485 11405 1 19 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.098 0.973 18485 11406 1 19 . 1 1 47 47 TYR H H 47 7.874 7.874 7.709 0.165 18485 11407 1 19 . 1 1 48 48 THR N N 48 117.577 117.577 117.790 -0.213 18485 11408 1 19 . 1 1 48 48 THR HA H 48 4.266 4.266 4.608 -0.342 18485 11409 1 19 . 1 1 48 48 THR C C 48 171.941 171.941 173.100 -1.159 18485 11410 1 19 . 1 1 48 48 THR CA C 48 62.299 62.299 61.752 0.547 18485 11411 1 19 . 1 1 48 48 THR CB C 48 70.899 70.899 71.194 -0.295 18485 11412 1 19 . 1 1 48 48 THR H H 48 8.549 8.549 8.606 -0.057 18485 11413 1 19 . 1 1 49 49 SER N N 49 121.488 121.488 121.203 0.285 18485 11414 1 19 . 1 1 49 49 SER HA H 49 5.516 5.516 5.024 0.492 18485 11415 1 19 . 1 1 49 49 SER C C 49 173.691 173.691 173.381 0.310 18485 11416 1 19 . 1 1 49 49 SER CA C 49 55.758 55.758 56.718 -0.960 18485 11417 1 19 . 1 1 49 49 SER CB C 49 66.386 66.386 64.571 1.815 18485 11418 1 19 . 1 1 49 49 SER H H 49 8.536 8.536 8.548 -0.012 18485 11419 1 19 . 1 1 50 50 PHE N N 50 124.791 124.791 123.985 0.806 18485 11420 1 19 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.692 0.023 18485 11421 1 19 . 1 1 50 50 PHE C C 50 173.608 173.608 174.625 -1.017 18485 11422 1 19 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.978 0.361 18485 11423 1 19 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.260 1.269 18485 11424 1 19 . 1 1 50 50 PHE H H 50 8.627 8.627 8.902 -0.275 18485 11425 1 19 . 1 1 51 51 ASP N N 51 120.606 120.606 125.248 -4.642 18485 11426 1 19 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.228 0.142 18485 11427 1 19 . 1 1 51 51 ASP C C 51 178.779 178.779 177.800 0.979 18485 11428 1 19 . 1 1 51 51 ASP CA C 51 52.234 52.234 53.166 -0.932 18485 11429 1 19 . 1 1 51 51 ASP CB C 51 42.175 42.175 40.435 1.740 18485 11430 1 19 . 1 1 51 51 ASP H H 51 8.415 8.415 8.770 -0.355 18485 11431 1 19 . 1 1 52 52 VAL N N 52 119.623 119.623 118.094 1.529 18485 11432 1 19 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.045 0.061 18485 11433 1 19 . 1 1 52 52 VAL C C 52 176.682 176.682 177.552 -0.870 18485 11434 1 19 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.630 -1.303 18485 11435 1 19 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.718 0.056 18485 11436 1 19 . 1 1 52 52 VAL H H 52 9.307 9.307 8.251 1.056 18485 11437 1 19 . 1 1 53 53 LEU N N 53 118.392 118.392 121.184 -2.792 18485 11438 1 19 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.143 0.115 18485 11439 1 19 . 1 1 53 53 LEU C C 53 179.153 179.153 177.650 1.503 18485 11440 1 19 . 1 1 53 53 LEU CA C 53 55.763 55.763 57.016 -1.253 18485 11441 1 19 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.357 -0.322 18485 11442 1 19 . 1 1 53 53 LEU H H 53 9.008 9.008 8.227 0.781 18485 11443 1 19 . 1 1 54 54 ALA N N 54 119.577 119.577 116.464 3.113 18485 11444 1 19 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.348 -0.108 18485 11445 1 19 . 1 1 54 54 ALA C C 54 177.657 177.657 177.224 0.433 18485 11446 1 19 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.343 1.046 18485 11447 1 19 . 1 1 54 54 ALA CB C 54 20.119 20.119 19.792 0.327 18485 11448 1 19 . 1 1 54 54 ALA H H 54 7.304 7.304 7.879 -0.575 18485 11449 1 19 . 1 1 55 55 HIS N N 55 114.383 114.383 117.337 -2.954 18485 11450 1 19 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.831 0.293 18485 11451 1 19 . 1 1 55 55 HIS C C 55 174.238 174.238 173.095 1.143 18485 11452 1 19 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.547 -0.453 18485 11453 1 19 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.632 1.157 18485 11454 1 19 . 1 1 55 55 HIS H H 55 6.894 6.894 7.660 -0.766 18485 11455 1 19 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.268 0.058 18485 11456 1 19 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.393 -0.131 18485 11457 1 19 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.416 -0.375 18485 11458 1 19 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.795 0.192 18485 11459 1 19 . 1 1 57 57 VAL C C 57 177.804 177.804 178.470 -0.666 18485 11460 1 19 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.283 -0.956 18485 11461 1 19 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.201 0.020 18485 11462 1 19 . 1 1 57 57 VAL H H 57 9.778 9.778 8.003 1.775 18485 11463 1 19 . 1 1 58 58 VAL N N 58 120.641 120.641 119.429 1.212 18485 11464 1 19 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.589 -0.057 18485 11465 1 19 . 1 1 58 58 VAL C C 58 177.270 177.270 177.714 -0.444 18485 11466 1 19 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.608 -0.698 18485 11467 1 19 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.613 -0.191 18485 11468 1 19 . 1 1 58 58 VAL H H 58 7.540 7.540 7.712 -0.172 18485 11469 1 19 . 1 1 59 59 ARG N N 59 118.263 118.263 118.635 -0.372 18485 11470 1 19 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.007 -0.093 18485 11471 1 19 . 1 1 59 59 ARG C C 59 178.579 178.579 178.496 0.083 18485 11472 1 19 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.218 0.762 18485 11473 1 19 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.454 0.498 18485 11474 1 19 . 1 1 59 59 ARG H H 59 7.536 7.536 7.655 -0.119 18485 11475 1 19 . 1 1 60 60 SER N N 60 113.091 113.091 116.384 -3.293 18485 11476 1 19 . 1 1 60 60 SER HA H 60 4.161 4.161 4.127 0.034 18485 11477 1 19 . 1 1 60 60 SER C C 60 175.761 175.761 176.232 -0.471 18485 11478 1 19 . 1 1 60 60 SER CA C 60 61.435 61.435 61.519 -0.084 18485 11479 1 19 . 1 1 60 60 SER CB C 60 62.721 62.721 63.208 -0.487 18485 11480 1 19 . 1 1 60 60 SER H H 60 8.204 8.204 8.532 -0.328 18485 11481 1 19 . 1 1 61 61 TYR N N 61 123.436 123.436 122.933 0.503 18485 11482 1 19 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.060 -0.178 18485 11483 1 19 . 1 1 61 61 TYR C C 61 177.731 177.731 177.441 0.290 18485 11484 1 19 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.918 0.110 18485 11485 1 19 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.393 0.762 18485 11486 1 19 . 1 1 61 61 TYR H H 61 8.024 8.024 8.121 -0.097 18485 11487 1 19 . 1 1 62 62 VAL N N 62 115.253 115.253 118.619 -3.366 18485 11488 1 19 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.421 0.108 18485 11489 1 19 . 1 1 62 62 VAL C C 62 176.990 176.990 177.886 -0.896 18485 11490 1 19 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.568 -1.344 18485 11491 1 19 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.986 0.450 18485 11492 1 19 . 1 1 62 62 VAL H H 62 7.754 7.754 7.985 -0.231 18485 11493 1 19 . 1 1 63 63 LYS N N 63 117.543 117.543 119.802 -2.259 18485 11494 1 19 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.049 -0.020 18485 11495 1 19 . 1 1 63 63 LYS C C 63 177.549 177.549 179.344 -1.795 18485 11496 1 19 . 1 1 63 63 LYS CA C 63 58.327 58.327 59.087 -0.760 18485 11497 1 19 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.198 0.563 18485 11498 1 19 . 1 1 63 63 LYS H H 63 7.367 7.367 7.568 -0.201 18485 11499 1 19 . 1 1 64 64 GLU N N 64 116.093 116.093 116.629 -0.536 18485 11500 1 19 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.147 -0.033 18485 11501 1 19 . 1 1 64 64 GLU C C 64 177.547 177.547 178.040 -0.493 18485 11502 1 19 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.676 -1.171 18485 11503 1 19 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.351 0.026 18485 11504 1 19 . 1 1 64 64 GLU H H 64 7.701 7.701 8.124 -0.423 18485 11505 1 19 . 1 1 65 65 VAL N N 65 116.739 116.739 118.528 -1.789 18485 11506 1 19 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.932 -0.097 18485 11507 1 19 . 1 1 65 65 VAL C C 65 176.335 176.335 177.152 -0.817 18485 11508 1 19 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.657 -0.161 18485 11509 1 19 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.138 0.105 18485 11510 1 19 . 1 1 65 65 VAL H H 65 7.608 7.608 7.778 -0.170 18485 11511 1 19 . 1 1 66 66 SER N N 66 114.353 114.353 115.782 -1.429 18485 11512 1 19 . 1 1 66 66 SER HA H 66 4.230 4.230 4.355 -0.125 18485 11513 1 19 . 1 1 66 66 SER C C 66 174.345 174.345 175.456 -1.111 18485 11514 1 19 . 1 1 66 66 SER CA C 66 58.038 58.038 60.525 -2.487 18485 11515 1 19 . 1 1 66 66 SER CB C 66 63.898 63.898 63.508 0.390 18485 11516 1 19 . 1 1 66 66 SER H H 66 7.526 7.526 7.849 -0.323 18485 11517 1 19 . 1 1 67 67 GLU N N 67 121.681 121.681 114.981 6.700 18485 11518 1 19 . 1 1 67 67 GLU HA H 67 3.865 3.865 3.860 0.005 18485 11519 1 19 . 1 1 67 67 GLU C C 67 175.748 175.748 175.281 0.467 18485 11520 1 19 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.825 0.020 18485 11521 1 19 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.574 1.806 18485 11522 1 19 . 1 1 67 67 GLU H H 67 7.966 7.966 8.047 -0.081 18485 11523 1 19 . 1 1 68 68 TRP N N 68 119.264 119.264 121.741 -2.477 18485 11524 1 19 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.647 0.288 18485 11525 1 19 . 1 1 68 68 TRP CA C 68 53.856 53.856 55.441 -1.585 18485 11526 1 19 . 1 1 68 68 TRP CB C 68 30.717 30.717 29.990 0.727 18485 11527 1 19 . 1 1 68 68 TRP H H 68 7.633 7.633 7.270 0.363 18485 11528 1 19 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.387 0.055 18485 11529 1 19 . 1 1 69 69 PRO C C 69 176.375 176.375 176.457 -0.082 18485 11530 1 19 . 1 1 69 69 PRO CA C 69 63.567 63.567 62.927 0.640 18485 11531 1 19 . 1 1 69 69 PRO CB C 69 31.513 31.513 32.164 -0.651 18485 11532 1 19 . 1 1 70 70 THR N N 70 114.312 114.312 116.833 -2.521 18485 11533 1 19 . 1 1 70 70 THR HA H 70 4.344 4.344 4.235 0.109 18485 11534 1 19 . 1 1 70 70 THR C C 70 172.275 172.275 174.028 -1.753 18485 11535 1 19 . 1 1 70 70 THR CA C 70 61.465 61.465 63.201 -1.736 18485 11536 1 19 . 1 1 70 70 THR CB C 70 70.433 70.433 69.537 0.896 18485 11537 1 19 . 1 1 70 70 THR H H 70 7.162 7.162 7.423 -0.261 18485 11538 1 19 . 1 1 71 71 ILE N N 71 123.770 123.770 125.409 -1.639 18485 11539 1 19 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.551 -0.049 18485 11540 1 19 . 1 1 71 71 ILE C C 71 175.106 175.106 175.231 -0.125 18485 11541 1 19 . 1 1 71 71 ILE CA C 71 55.755 55.755 56.913 -1.158 18485 11542 1 19 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.849 1.228 18485 11543 1 19 . 1 1 71 71 ILE H H 71 8.398 8.398 8.276 0.122 18485 11544 1 19 . 1 1 72 72 PRO HA H 72 5.558 5.558 5.156 0.402 18485 11545 1 19 . 1 1 72 72 PRO C C 72 175.507 175.507 175.709 -0.202 18485 11546 1 19 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.402 0.036 18485 11547 1 19 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.258 4.398 18485 11548 1 19 . 1 1 73 73 GLN N N 73 112.013 112.013 116.714 -4.701 18485 11549 1 19 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.245 -0.152 18485 11550 1 19 . 1 1 73 73 GLN C C 73 174.559 174.559 174.251 0.308 18485 11551 1 19 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.347 1.182 18485 11552 1 19 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.327 1.113 18485 11553 1 19 . 1 1 73 73 GLN H H 73 8.521 8.521 8.475 0.046 18485 11554 1 19 . 1 1 74 74 LEU N N 74 124.684 124.684 121.218 3.466 18485 11555 1 19 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.413 -0.081 18485 11556 1 19 . 1 1 74 74 LEU C C 74 172.761 172.761 174.523 -1.762 18485 11557 1 19 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.752 0.803 18485 11558 1 19 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.611 0.432 18485 11559 1 19 . 1 1 74 74 LEU H H 74 8.266 8.266 8.602 -0.336 18485 11560 1 19 . 1 1 75 75 PHE N N 75 126.827 126.827 122.648 4.179 18485 11561 1 19 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.279 -0.036 18485 11562 1 19 . 1 1 75 75 PHE C C 75 174.813 174.813 174.515 0.298 18485 11563 1 19 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.765 0.303 18485 11564 1 19 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.513 -0.864 18485 11565 1 19 . 1 1 75 75 PHE H H 75 9.692 9.692 9.256 0.436 18485 11566 1 19 . 1 1 76 76 ILE N N 76 118.421 118.421 122.112 -3.691 18485 11567 1 19 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.957 0.146 18485 11568 1 19 . 1 1 76 76 ILE C C 76 176.242 176.242 176.657 -0.415 18485 11569 1 19 . 1 1 76 76 ILE CA C 76 59.193 59.193 58.813 0.380 18485 11570 1 19 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.058 0.467 18485 11571 1 19 . 1 1 76 76 ILE H H 76 8.612 8.612 9.127 -0.515 18485 11572 1 19 . 1 1 77 77 LYS N N 77 129.856 129.856 127.251 2.605 18485 11573 1 19 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.906 0.286 18485 11574 1 19 . 1 1 77 77 LYS C C 77 175.887 175.887 176.047 -0.160 18485 11575 1 19 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.647 -1.046 18485 11576 1 19 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.867 0.732 18485 11577 1 19 . 1 1 77 77 LYS H H 77 10.357 10.357 9.147 1.210 18485 11578 1 19 . 1 1 78 78 ALA N N 78 114.323 114.323 116.283 -1.960 18485 11579 1 19 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.152 -0.314 18485 11580 1 19 . 1 1 78 78 ALA C C 78 175.949 175.949 176.499 -0.550 18485 11581 1 19 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.214 0.304 18485 11582 1 19 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.091 0.144 18485 11583 1 19 . 1 1 78 78 ALA H H 78 9.554 9.554 8.680 0.874 18485 11584 1 19 . 1 1 79 79 GLU N N 79 120.498 120.498 118.486 2.012 18485 11585 1 19 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.903 -0.139 18485 11586 1 19 . 1 1 79 79 GLU C C 79 175.200 175.200 175.017 0.183 18485 11587 1 19 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.438 0.333 18485 11588 1 19 . 1 1 79 79 GLU CB C 79 32.002 32.002 33.161 -1.159 18485 11589 1 19 . 1 1 79 79 GLU H H 79 8.219 8.219 7.882 0.337 18485 11590 1 19 . 1 1 80 80 PHE N N 80 125.962 125.962 125.402 0.560 18485 11591 1 19 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.439 -0.047 18485 11592 1 19 . 1 1 80 80 PHE C C 80 175.280 175.280 174.963 0.317 18485 11593 1 19 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.637 -0.378 18485 11594 1 19 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.950 -0.402 18485 11595 1 19 . 1 1 80 80 PHE H H 80 8.935 8.935 8.848 0.087 18485 11596 1 19 . 1 1 81 81 VAL N N 81 128.637 128.637 126.654 1.983 18485 11597 1 19 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.711 0.058 18485 11598 1 19 . 1 1 81 81 VAL C C 81 174.733 174.733 175.288 -0.555 18485 11599 1 19 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.579 0.460 18485 11600 1 19 . 1 1 81 81 VAL CB C 81 32.638 32.638 32.515 0.123 18485 11601 1 19 . 1 1 81 81 VAL H H 81 8.288 8.288 8.301 -0.013 18485 11602 1 19 . 1 1 82 82 GLY N N 82 100.310 100.310 104.076 -3.766 18485 11603 1 19 . 1 1 82 82 GLY C C 82 172.515 172.515 172.271 0.244 18485 11604 1 19 . 1 1 82 82 GLY CA C 82 45.220 45.220 43.755 1.465 18485 11605 1 19 . 1 1 82 82 GLY H H 82 5.816 5.816 6.309 -0.493 18485 11606 1 19 . 1 1 83 83 GLY N N 83 104.342 104.342 105.930 -1.588 18485 11607 1 19 . 1 1 83 83 GLY C C 83 173.758 173.758 174.845 -1.087 18485 11608 1 19 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.559 0.265 18485 11609 1 19 . 1 1 83 83 GLY H H 83 7.401 7.401 8.028 -0.627 18485 11610 1 19 . 1 1 84 84 LEU N N 84 118.350 118.350 121.168 -2.818 18485 11611 1 19 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.158 -0.377 18485 11612 1 19 . 1 1 84 84 LEU C C 84 178.245 178.245 178.654 -0.409 18485 11613 1 19 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.862 0.392 18485 11614 1 19 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.729 0.873 18485 11615 1 19 . 1 1 84 84 LEU H H 84 8.807 8.807 8.236 0.571 18485 11616 1 19 . 1 1 85 85 ASP N N 85 118.373 118.373 118.100 0.273 18485 11617 1 19 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.466 -0.200 18485 11618 1 19 . 1 1 85 85 ASP C C 85 178.296 178.296 178.638 -0.342 18485 11619 1 19 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.459 0.153 18485 11620 1 19 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.685 -1.186 18485 11621 1 19 . 1 1 85 85 ASP H H 85 8.697 8.697 8.468 0.229 18485 11622 1 19 . 1 1 86 86 ILE N N 86 120.495 120.495 120.217 0.278 18485 11623 1 19 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.880 -0.034 18485 11624 1 19 . 1 1 86 86 ILE C C 86 177.657 177.657 178.105 -0.448 18485 11625 1 19 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.489 -0.631 18485 11626 1 19 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.344 0.169 18485 11627 1 19 . 1 1 86 86 ILE H H 86 7.605 7.605 7.465 0.140 18485 11628 1 19 . 1 1 87 87 VAL N N 87 120.596 120.596 117.181 3.415 18485 11629 1 19 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.708 -0.401 18485 11630 1 19 . 1 1 87 87 VAL C C 87 177.629 177.629 177.958 -0.329 18485 11631 1 19 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.641 1.070 18485 11632 1 19 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.429 1.236 18485 11633 1 19 . 1 1 87 87 VAL H H 87 7.934 7.934 7.914 0.020 18485 11634 1 19 . 1 1 88 88 THR N N 88 112.971 112.971 112.944 0.027 18485 11635 1 19 . 1 1 88 88 THR HA H 88 3.822 3.822 4.050 -0.228 18485 11636 1 19 . 1 1 88 88 THR C C 88 176.896 176.896 176.450 0.446 18485 11637 1 19 . 1 1 88 88 THR CA C 88 66.898 66.898 66.392 0.506 18485 11638 1 19 . 1 1 88 88 THR CB C 88 68.370 68.370 68.166 0.204 18485 11639 1 19 . 1 1 88 88 THR H H 88 8.719 8.719 7.733 0.986 18485 11640 1 19 . 1 1 89 89 LYS N N 89 123.633 123.633 122.851 0.782 18485 11641 1 19 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.104 0.045 18485 11642 1 19 . 1 1 89 89 LYS C C 89 179.648 179.648 179.082 0.566 18485 11643 1 19 . 1 1 89 89 LYS CA C 89 59.626 59.626 58.997 0.629 18485 11644 1 19 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.013 0.075 18485 11645 1 19 . 1 1 89 89 LYS H H 89 7.568 7.568 7.527 0.041 18485 11646 1 19 . 1 1 90 90 MET N N 90 118.147 118.147 119.273 -1.126 18485 11647 1 19 . 1 1 90 90 MET HA H 90 4.333 4.333 4.260 0.073 18485 11648 1 19 . 1 1 90 90 MET C C 90 179.634 179.634 178.872 0.762 18485 11649 1 19 . 1 1 90 90 MET CA C 90 58.590 58.590 59.024 -0.434 18485 11650 1 19 . 1 1 90 90 MET CB C 90 34.033 34.033 32.682 1.351 18485 11651 1 19 . 1 1 90 90 MET H H 90 8.520 8.520 8.291 0.229 18485 11652 1 19 . 1 1 91 91 LEU N N 91 124.789 124.789 121.690 3.099 18485 11653 1 19 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.976 0.224 18485 11654 1 19 . 1 1 91 91 LEU C C 91 179.696 179.696 179.483 0.213 18485 11655 1 19 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.892 0.189 18485 11656 1 19 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.758 0.103 18485 11657 1 19 . 1 1 91 91 LEU H H 91 8.792 8.792 7.753 1.039 18485 11658 1 19 . 1 1 92 92 GLU N N 92 118.965 118.965 119.468 -0.503 18485 11659 1 19 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.055 -0.038 18485 11660 1 19 . 1 1 92 92 GLU C C 92 178.352 178.352 178.520 -0.168 18485 11661 1 19 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.004 0.074 18485 11662 1 19 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.544 0.147 18485 11663 1 19 . 1 1 92 92 GLU H H 92 7.999 7.999 8.283 -0.284 18485 11664 1 19 . 1 1 93 93 SER N N 93 111.381 111.381 111.718 -0.337 18485 11665 1 19 . 1 1 93 93 SER HA H 93 4.406 4.406 4.375 0.031 18485 11666 1 19 . 1 1 93 93 SER C C 93 175.948 175.948 175.540 0.408 18485 11667 1 19 . 1 1 93 93 SER CA C 93 59.192 59.192 58.632 0.560 18485 11668 1 19 . 1 1 93 93 SER CB C 93 64.227 64.227 63.674 0.553 18485 11669 1 19 . 1 1 93 93 SER H H 93 8.270 8.270 7.931 0.339 18485 11670 1 19 . 1 1 94 94 GLY N N 94 109.172 109.172 109.302 -0.130 18485 11671 1 19 . 1 1 94 94 GLY C C 94 174.906 174.906 175.665 -0.759 18485 11672 1 19 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.172 -0.789 18485 11673 1 19 . 1 1 94 94 GLY H H 94 7.406 7.406 7.522 -0.116 18485 11674 1 19 . 1 1 95 95 ASP N N 95 122.640 122.640 122.144 0.496 18485 11675 1 19 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.418 0.061 18485 11676 1 19 . 1 1 95 95 ASP C C 95 178.486 178.486 177.782 0.704 18485 11677 1 19 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.268 -0.017 18485 11678 1 19 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.644 0.726 18485 11679 1 19 . 1 1 95 95 ASP H H 95 8.337 8.337 7.736 0.601 18485 11680 1 19 . 1 1 96 96 LEU N N 96 122.329 122.329 120.186 2.143 18485 11681 1 19 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.042 0.039 18485 11682 1 19 . 1 1 96 96 LEU C C 96 177.070 177.070 178.422 -1.352 18485 11683 1 19 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.878 0.082 18485 11684 1 19 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.899 -0.997 18485 11685 1 19 . 1 1 96 96 LEU H H 96 7.992 7.992 7.904 0.088 18485 11686 1 19 . 1 1 97 97 LYS N N 97 118.159 118.159 118.209 -0.050 18485 11687 1 19 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.936 -0.015 18485 11688 1 19 . 1 1 97 97 LYS C C 97 178.245 178.245 178.831 -0.586 18485 11689 1 19 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.870 0.230 18485 11690 1 19 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.819 0.109 18485 11691 1 19 . 1 1 97 97 LYS H H 97 8.254 8.254 8.375 -0.121 18485 11692 1 19 . 1 1 98 98 LYS N N 98 117.677 117.677 120.381 -2.704 18485 11693 1 19 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.015 -0.078 18485 11694 1 19 . 1 1 98 98 LYS C C 98 177.471 177.471 179.013 -1.542 18485 11695 1 19 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.370 0.560 18485 11696 1 19 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.354 0.386 18485 11697 1 19 . 1 1 98 98 LYS H H 98 7.388 7.388 7.763 -0.375 18485 11698 1 19 . 1 1 99 99 MET N N 99 119.426 119.426 119.333 0.093 18485 11699 1 19 . 1 1 99 99 MET HA H 99 4.138 4.138 4.155 -0.017 18485 11700 1 19 . 1 1 99 99 MET C C 99 178.018 178.018 178.353 -0.335 18485 11701 1 19 . 1 1 99 99 MET CA C 99 59.151 59.151 59.139 0.012 18485 11702 1 19 . 1 1 99 99 MET CB C 99 32.550 32.550 32.745 -0.195 18485 11703 1 19 . 1 1 99 99 MET H H 99 7.934 7.934 8.080 -0.146 18485 11704 1 19 . 1 1 100 100 LEU N N 100 118.006 118.006 118.933 -0.927 18485 11705 1 19 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.859 -0.068 18485 11706 1 19 . 1 1 100 100 LEU C C 100 178.592 178.592 178.849 -0.257 18485 11707 1 19 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.169 0.433 18485 11708 1 19 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.380 -0.680 18485 11709 1 19 . 1 1 100 100 LEU H H 100 8.131 8.131 8.454 -0.323 18485 11710 1 19 . 1 1 101 101 ARG N N 101 118.551 118.551 118.371 0.180 18485 11711 1 19 . 1 1 101 101 ARG HA H 101 4.126 4.126 3.995 0.131 18485 11712 1 19 . 1 1 101 101 ARG C C 101 181.117 181.117 178.376 2.741 18485 11713 1 19 . 1 1 101 101 ARG CA C 101 59.277 59.277 59.154 0.124 18485 11714 1 19 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.579 0.213 18485 11715 1 19 . 1 1 101 101 ARG H H 101 8.045 8.045 8.346 -0.301 18485 11716 1 19 . 1 1 102 102 ASP N N 102 122.544 122.544 120.975 1.569 18485 11717 1 19 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.473 -0.068 18485 11718 1 19 . 1 1 102 102 ASP C C 102 178.405 178.405 177.725 0.680 18485 11719 1 19 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.282 1.020 18485 11720 1 19 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.552 -0.239 18485 11721 1 19 . 1 1 102 102 ASP H H 102 8.828 8.828 7.884 0.944 18485 11722 1 19 . 1 1 103 103 LYS N N 103 116.177 116.177 117.077 -0.900 18485 11723 1 19 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.328 0.068 18485 11724 1 19 . 1 1 103 103 LYS C C 103 176.282 176.282 176.744 -0.462 18485 11725 1 19 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.593 -0.269 18485 11726 1 19 . 1 1 103 103 LYS CB C 103 32.715 32.715 33.273 -0.558 18485 11727 1 19 . 1 1 103 103 LYS H H 103 7.847 7.847 8.235 -0.388 18485 11728 1 19 . 1 1 104 104 GLY N N 104 108.597 108.597 106.649 1.948 18485 11729 1 19 . 1 1 104 104 GLY C C 104 174.450 174.450 174.939 -0.489 18485 11730 1 19 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.398 0.925 18485 11731 1 19 . 1 1 104 104 GLY H H 104 7.930 7.930 7.607 0.323 18485 11732 1 19 . 1 1 105 105 ILE N N 105 123.232 123.232 119.549 3.683 18485 11733 1 19 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.151 -0.042 18485 11734 1 19 . 1 1 105 105 ILE C C 105 175.374 175.374 176.576 -1.202 18485 11735 1 19 . 1 1 105 105 ILE CA C 105 60.643 60.643 61.197 -0.554 18485 11736 1 19 . 1 1 105 105 ILE CB C 105 38.688 38.688 39.020 -0.332 18485 11737 1 19 . 1 1 105 105 ILE H H 105 8.323 8.323 7.895 0.428 18485 11738 1 19 . 1 1 106 106 THR N N 106 123.522 123.522 122.649 0.873 18485 11739 1 19 . 1 1 106 106 THR HA H 106 4.155 4.155 4.267 -0.112 18485 11740 1 19 . 1 1 106 106 THR C C 106 173.223 173.223 173.440 -0.217 18485 11741 1 19 . 1 1 106 106 THR CA C 106 63.189 63.189 63.385 -0.196 18485 11742 1 19 . 1 1 106 106 THR CB C 106 69.242 69.242 67.108 2.135 18485 11743 1 19 . 1 1 106 106 THR H H 106 8.521 8.521 8.737 -0.216 18485 11744 1 19 . 1 1 107 107 CYS N N 107 120.688 120.688 124.078 -3.390 18485 11745 1 19 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.568 -0.701 18485 11746 1 19 . 1 1 107 107 CYS C C 107 173.798 173.798 173.735 0.063 18485 11747 1 19 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.283 0.269 18485 11748 1 19 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.269 -0.807 18485 11749 1 19 . 1 1 107 107 CYS H H 107 8.247 8.247 8.109 0.138 18485 11750 1 19 . 1 1 108 108 ARG N N 108 122.349 122.349 120.854 1.495 18485 11751 1 19 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.426 -0.135 18485 11752 1 19 . 1 1 108 108 ARG C C 108 175.547 175.547 175.570 -0.023 18485 11753 1 19 . 1 1 108 108 ARG CA C 108 56.300 56.300 53.983 2.317 18485 11754 1 19 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.579 0.697 18485 11755 1 19 . 1 1 108 108 ARG H H 108 8.512 8.512 8.423 0.089 18485 11756 1 19 . 1 1 109 109 ASP N N 109 121.453 121.453 120.434 1.019 18485 11757 1 19 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.445 0.180 18485 11758 1 19 . 1 1 109 109 ASP C C 109 174.973 174.973 176.989 -2.016 18485 11759 1 19 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.184 -0.945 18485 11760 1 19 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.896 0.060 18485 11761 1 19 . 1 1 109 109 ASP H H 109 8.399 8.399 8.423 -0.024 18485 11762 1 20 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.779 -0.367 18485 11763 1 20 . 1 1 2 2 ALA C C 2 177.283 177.283 175.865 1.418 18485 11764 1 20 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.908 0.376 18485 11765 1 20 . 1 1 2 2 ALA CB C 2 19.504 19.504 21.367 -1.863 18485 11766 1 20 . 1 1 3 3 MET N N 3 121.052 121.052 123.617 -2.565 18485 11767 1 20 . 1 1 3 3 MET HA H 3 4.458 4.458 4.619 -0.161 18485 11768 1 20 . 1 1 3 3 MET C C 3 175.185 175.185 175.657 -0.472 18485 11769 1 20 . 1 1 3 3 MET CA C 3 56.001 56.001 55.769 0.232 18485 11770 1 20 . 1 1 3 3 MET CB C 3 34.282 34.282 33.589 0.693 18485 11771 1 20 . 1 1 3 3 MET H H 3 8.313 8.313 8.543 -0.230 18485 11772 1 20 . 1 1 4 4 VAL N N 4 116.976 116.976 117.808 -0.832 18485 11773 1 20 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.672 -0.030 18485 11774 1 20 . 1 1 4 4 VAL C C 4 176.976 176.976 176.379 0.597 18485 11775 1 20 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.719 0.033 18485 11776 1 20 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.333 0.545 18485 11777 1 20 . 1 1 4 4 VAL H H 4 8.432 8.432 8.968 -0.536 18485 11778 1 20 . 1 1 5 5 LYS N N 5 123.795 123.795 123.358 0.437 18485 11779 1 20 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.057 -0.471 18485 11780 1 20 . 1 1 5 5 LYS C C 5 178.205 178.205 178.270 -0.065 18485 11781 1 20 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.589 1.473 18485 11782 1 20 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.349 -0.126 18485 11783 1 20 . 1 1 5 5 LYS H H 5 8.725 8.725 8.767 -0.042 18485 11784 1 20 . 1 1 6 6 LYS N N 6 117.559 117.559 119.262 -1.703 18485 11785 1 20 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.086 -0.012 18485 11786 1 20 . 1 1 6 6 LYS C C 6 176.976 176.976 178.442 -1.466 18485 11787 1 20 . 1 1 6 6 LYS CA C 6 59.019 59.019 58.901 0.118 18485 11788 1 20 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.818 0.840 18485 11789 1 20 . 1 1 6 6 LYS H H 6 8.395 8.395 8.388 0.007 18485 11790 1 20 . 1 1 7 7 ASP N N 7 116.710 116.710 118.989 -2.279 18485 11791 1 20 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.400 -0.036 18485 11792 1 20 . 1 1 7 7 ASP C C 7 179.180 179.180 178.456 0.724 18485 11793 1 20 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.728 -0.318 18485 11794 1 20 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.508 0.367 18485 11795 1 20 . 1 1 7 7 ASP H H 7 7.415 7.415 8.039 -0.624 18485 11796 1 20 . 1 1 8 8 ILE N N 8 120.990 120.990 119.928 1.062 18485 11797 1 20 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.379 -0.102 18485 11798 1 20 . 1 1 8 8 ILE C C 8 177.537 177.537 177.264 0.273 18485 11799 1 20 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.806 -0.247 18485 11800 1 20 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.093 -0.024 18485 11801 1 20 . 1 1 8 8 ILE H H 8 7.302 7.302 7.166 0.136 18485 11802 1 20 . 1 1 9 9 ASP N N 9 120.214 120.214 121.011 -0.797 18485 11803 1 20 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.353 -0.146 18485 11804 1 20 . 1 1 9 9 ASP C C 9 178.564 178.564 178.598 -0.034 18485 11805 1 20 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.950 0.058 18485 11806 1 20 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.020 0.862 18485 11807 1 20 . 1 1 9 9 ASP H H 9 7.884 7.884 7.682 0.202 18485 11808 1 20 . 1 1 10 10 ASP N N 10 117.314 117.314 119.347 -2.033 18485 11809 1 20 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.450 -0.127 18485 11810 1 20 . 1 1 10 10 ASP C C 10 179.340 179.340 178.622 0.718 18485 11811 1 20 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.234 -0.048 18485 11812 1 20 . 1 1 10 10 ASP CB C 10 39.913 39.913 41.025 -1.112 18485 11813 1 20 . 1 1 10 10 ASP H H 10 8.856 8.856 8.284 0.572 18485 11814 1 20 . 1 1 11 11 THR N N 11 119.032 119.032 116.405 2.627 18485 11815 1 20 . 1 1 11 11 THR HA H 11 4.061 4.061 4.089 -0.028 18485 11816 1 20 . 1 1 11 11 THR C C 11 175.574 175.574 176.518 -0.944 18485 11817 1 20 . 1 1 11 11 THR CA C 11 67.210 67.210 66.584 0.626 18485 11818 1 20 . 1 1 11 11 THR CB C 11 68.319 68.319 68.757 -0.438 18485 11819 1 20 . 1 1 11 11 THR H H 11 7.670 7.670 7.652 0.018 18485 11820 1 20 . 1 1 12 12 ILE N N 12 122.228 122.228 121.391 0.837 18485 11821 1 20 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.706 -0.067 18485 11822 1 20 . 1 1 12 12 ILE C C 12 177.455 177.455 177.799 -0.344 18485 11823 1 20 . 1 1 12 12 ILE CA C 12 64.909 64.909 65.061 -0.153 18485 11824 1 20 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.056 0.522 18485 11825 1 20 . 1 1 12 12 ILE H H 12 8.303 8.303 8.655 -0.352 18485 11826 1 20 . 1 1 13 13 LYS N N 13 114.462 114.462 117.753 -3.291 18485 11827 1 20 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.234 -0.100 18485 11828 1 20 . 1 1 13 13 LYS C C 13 177.547 177.547 178.345 -0.798 18485 11829 1 20 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.197 0.203 18485 11830 1 20 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.632 0.374 18485 11831 1 20 . 1 1 13 13 LYS H H 13 7.709 7.709 7.779 -0.070 18485 11832 1 20 . 1 1 14 14 SER N N 14 112.642 112.642 115.049 -2.407 18485 11833 1 20 . 1 1 14 14 SER HA H 14 4.551 4.551 4.376 0.175 18485 11834 1 20 . 1 1 14 14 SER C C 14 174.532 174.532 174.926 -0.394 18485 11835 1 20 . 1 1 14 14 SER CA C 14 59.744 59.744 60.120 -0.376 18485 11836 1 20 . 1 1 14 14 SER CB C 14 65.009 65.009 64.144 0.865 18485 11837 1 20 . 1 1 14 14 SER H H 14 7.749 7.749 7.906 -0.157 18485 11838 1 20 . 1 1 15 15 GLU N N 15 121.266 121.266 120.448 0.818 18485 11839 1 20 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.385 0.179 18485 11840 1 20 . 1 1 15 15 GLU C C 15 176.789 176.789 176.645 0.144 18485 11841 1 20 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.671 -1.226 18485 11842 1 20 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.538 -0.211 18485 11843 1 20 . 1 1 15 15 GLU H H 15 8.101 8.101 8.059 0.042 18485 11844 1 20 . 1 1 16 16 ASP N N 16 122.253 122.253 120.738 1.515 18485 11845 1 20 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.749 -0.409 18485 11846 1 20 . 1 1 16 16 ASP C C 16 176.469 176.469 175.576 0.893 18485 11847 1 20 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.371 2.388 18485 11848 1 20 . 1 1 16 16 ASP CB C 16 40.818 40.818 41.939 -1.121 18485 11849 1 20 . 1 1 16 16 ASP H H 16 8.685 8.685 8.836 -0.151 18485 11850 1 20 . 1 1 17 17 VAL N N 17 118.536 118.536 118.046 0.490 18485 11851 1 20 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.847 0.068 18485 11852 1 20 . 1 1 17 17 VAL C C 17 174.452 174.452 174.106 0.346 18485 11853 1 20 . 1 1 17 17 VAL CA C 17 61.903 61.903 60.683 1.220 18485 11854 1 20 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.091 0.286 18485 11855 1 20 . 1 1 17 17 VAL H H 17 8.547 8.547 7.849 0.698 18485 11856 1 20 . 1 1 18 18 VAL N N 18 125.917 125.917 128.225 -2.308 18485 11857 1 20 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.247 0.008 18485 11858 1 20 . 1 1 18 18 VAL C C 18 174.158 174.158 174.680 -0.522 18485 11859 1 20 . 1 1 18 18 VAL CA C 18 60.102 60.102 61.013 -0.911 18485 11860 1 20 . 1 1 18 18 VAL CB C 18 36.055 36.055 35.913 0.142 18485 11861 1 20 . 1 1 18 18 VAL H H 18 8.755 8.755 9.021 -0.266 18485 11862 1 20 . 1 1 19 19 THR N N 19 120.107 120.107 119.659 0.448 18485 11863 1 20 . 1 1 19 19 THR HA H 19 5.795 5.795 5.338 0.457 18485 11864 1 20 . 1 1 19 19 THR C C 19 171.126 171.126 172.666 -1.540 18485 11865 1 20 . 1 1 19 19 THR CA C 19 58.118 58.118 60.115 -1.997 18485 11866 1 20 . 1 1 19 19 THR CB C 19 72.547 72.547 71.491 1.056 18485 11867 1 20 . 1 1 19 19 THR H H 19 8.938 8.938 8.682 0.256 18485 11868 1 20 . 1 1 20 20 PHE N N 20 125.287 125.287 125.007 0.280 18485 11869 1 20 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.579 -0.075 18485 11870 1 20 . 1 1 20 20 PHE C C 20 175.200 175.200 175.173 0.027 18485 11871 1 20 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.905 -0.407 18485 11872 1 20 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.065 0.596 18485 11873 1 20 . 1 1 20 20 PHE H H 20 8.230 8.230 8.817 -0.587 18485 11874 1 20 . 1 1 21 21 ILE N N 21 114.660 114.660 116.690 -2.030 18485 11875 1 20 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.905 -0.093 18485 11876 1 20 . 1 1 21 21 ILE C C 21 173.918 173.918 174.208 -0.290 18485 11877 1 20 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.068 0.295 18485 11878 1 20 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.634 1.186 18485 11879 1 20 . 1 1 21 21 ILE H H 21 9.042 9.042 9.457 -0.415 18485 11880 1 20 . 1 1 22 22 LYS N N 22 117.197 117.197 122.573 -5.376 18485 11881 1 20 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.585 0.018 18485 11882 1 20 . 1 1 22 22 LYS C C 22 175.935 175.935 175.664 0.271 18485 11883 1 20 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.592 1.106 18485 11884 1 20 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.587 1.606 18485 11885 1 20 . 1 1 22 22 LYS H H 22 8.581 8.581 8.592 -0.011 18485 11886 1 20 . 1 1 23 23 GLY N N 23 117.108 117.108 107.955 9.153 18485 11887 1 20 . 1 1 23 23 GLY C C 23 170.793 170.793 172.772 -1.979 18485 11888 1 20 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.740 -0.103 18485 11889 1 20 . 1 1 23 23 GLY H H 23 9.178 9.178 7.574 1.604 18485 11890 1 20 . 1 1 24 24 LEU N N 24 117.859 117.859 121.760 -3.901 18485 11891 1 20 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.569 0.291 18485 11892 1 20 . 1 1 24 24 LEU C C 24 176.709 176.709 176.362 0.347 18485 11893 1 20 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.446 -1.496 18485 11894 1 20 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.272 1.736 18485 11895 1 20 . 1 1 24 24 LEU H H 24 7.162 7.162 8.267 -1.105 18485 11896 1 20 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.500 -0.547 18485 11897 1 20 . 1 1 25 25 PRO C C 25 177.190 177.190 177.034 0.156 18485 11898 1 20 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.612 1.710 18485 11899 1 20 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.336 -0.612 18485 11900 1 20 . 1 1 26 26 GLU N N 26 111.260 111.260 116.410 -5.150 18485 11901 1 20 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.300 -0.095 18485 11902 1 20 . 1 1 26 26 GLU C C 26 176.429 176.429 176.326 0.103 18485 11903 1 20 . 1 1 26 26 GLU CA C 26 56.743 56.743 56.893 -0.150 18485 11904 1 20 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.607 -0.909 18485 11905 1 20 . 1 1 26 26 GLU H H 26 8.807 8.807 8.205 0.602 18485 11906 1 20 . 1 1 27 27 ALA N N 27 122.547 122.547 123.403 -0.856 18485 11907 1 20 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.611 -0.024 18485 11908 1 20 . 1 1 27 27 ALA C C 27 172.342 172.342 174.918 -2.576 18485 11909 1 20 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.233 0.651 18485 11910 1 20 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.801 -0.106 18485 11911 1 20 . 1 1 27 27 ALA H H 27 7.856 7.856 7.755 0.101 18485 11912 1 20 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.572 0.070 18485 11913 1 20 . 1 1 28 28 PRO C C 28 178.512 178.512 176.489 2.023 18485 11914 1 20 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.644 0.462 18485 11915 1 20 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.651 -0.586 18485 11916 1 20 . 1 1 29 29 MET N N 29 119.426 119.426 120.549 -1.123 18485 11917 1 20 . 1 1 29 29 MET HA H 29 4.758 4.758 4.485 0.273 18485 11918 1 20 . 1 1 29 29 MET C C 29 175.374 175.374 175.917 -0.543 18485 11919 1 20 . 1 1 29 29 MET CA C 29 54.594 54.594 56.826 -2.232 18485 11920 1 20 . 1 1 29 29 MET CB C 29 33.036 33.036 32.615 0.420 18485 11921 1 20 . 1 1 29 29 MET H H 29 8.828 8.828 8.541 0.287 18485 11922 1 20 . 1 1 30 30 CYS N N 30 116.089 116.089 117.321 -1.232 18485 11923 1 20 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.664 0.188 18485 11924 1 20 . 1 1 30 30 CYS C C 30 176.028 176.028 174.187 1.841 18485 11925 1 20 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.672 1.053 18485 11926 1 20 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.183 2.076 18485 11927 1 20 . 1 1 30 30 CYS H H 30 7.455 7.455 7.435 0.020 18485 11928 1 20 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.027 0.053 18485 11929 1 20 . 1 1 31 31 ALA C C 31 180.222 180.222 178.411 1.811 18485 11930 1 20 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.808 -0.114 18485 11931 1 20 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.569 0.112 18485 11932 1 20 . 1 1 32 32 TYR N N 32 121.972 121.972 116.271 5.701 18485 11933 1 20 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.288 0.045 18485 11934 1 20 . 1 1 32 32 TYR C C 32 178.673 178.673 178.288 0.385 18485 11935 1 20 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.955 -1.026 18485 11936 1 20 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.700 -0.663 18485 11937 1 20 . 1 1 32 32 TYR H H 32 8.846 8.846 8.131 0.715 18485 11938 1 20 . 1 1 33 33 SER N N 33 125.375 125.375 115.258 10.117 18485 11939 1 20 . 1 1 33 33 SER HA H 33 4.013 4.013 4.238 -0.225 18485 11940 1 20 . 1 1 33 33 SER C C 33 174.906 174.906 176.110 -1.204 18485 11941 1 20 . 1 1 33 33 SER CA C 33 64.417 64.417 61.996 2.421 18485 11942 1 20 . 1 1 33 33 SER CB C 33 62.687 62.687 62.622 0.065 18485 11943 1 20 . 1 1 33 33 SER H H 33 10.272 10.272 7.884 2.388 18485 11944 1 20 . 1 1 34 34 LYS N N 34 121.216 121.216 122.894 -1.678 18485 11945 1 20 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.957 -0.104 18485 11946 1 20 . 1 1 34 34 LYS C C 34 177.083 177.083 178.555 -1.472 18485 11947 1 20 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.194 0.468 18485 11948 1 20 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.295 -0.145 18485 11949 1 20 . 1 1 34 34 LYS H H 34 8.024 8.024 8.239 -0.215 18485 11950 1 20 . 1 1 35 35 ARG N N 35 117.269 117.269 118.772 -1.503 18485 11951 1 20 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.091 0.058 18485 11952 1 20 . 1 1 35 35 ARG C C 35 178.058 178.058 179.002 -0.944 18485 11953 1 20 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.309 0.667 18485 11954 1 20 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.740 -0.028 18485 11955 1 20 . 1 1 35 35 ARG H H 35 7.559 7.559 8.224 -0.665 18485 11956 1 20 . 1 1 36 36 MET N N 36 117.954 117.954 119.952 -1.998 18485 11957 1 20 . 1 1 36 36 MET HA H 36 4.068 4.068 4.187 -0.119 18485 11958 1 20 . 1 1 36 36 MET C C 36 176.963 176.963 177.841 -0.878 18485 11959 1 20 . 1 1 36 36 MET CA C 36 58.195 58.195 57.796 0.399 18485 11960 1 20 . 1 1 36 36 MET CB C 36 31.742 31.742 32.494 -0.752 18485 11961 1 20 . 1 1 36 36 MET H H 36 8.027 8.027 8.036 -0.009 18485 11962 1 20 . 1 1 37 37 ILE N N 37 118.650 118.650 119.206 -0.556 18485 11963 1 20 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.457 0.063 18485 11964 1 20 . 1 1 37 37 ILE C C 37 177.631 177.631 178.067 -0.436 18485 11965 1 20 . 1 1 37 37 ILE CA C 37 61.873 61.873 64.043 -2.170 18485 11966 1 20 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.409 -1.237 18485 11967 1 20 . 1 1 37 37 ILE H H 37 7.825 7.825 7.970 -0.145 18485 11968 1 20 . 1 1 38 38 ASP N N 38 119.229 119.229 120.406 -1.177 18485 11969 1 20 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.340 -0.010 18485 11970 1 20 . 1 1 38 38 ASP C C 38 180.208 180.208 178.704 1.504 18485 11971 1 20 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.803 -0.273 18485 11972 1 20 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.767 -0.797 18485 11973 1 20 . 1 1 38 38 ASP H H 38 8.629 8.629 8.596 0.033 18485 11974 1 20 . 1 1 39 39 VAL N N 39 121.475 121.475 118.959 2.516 18485 11975 1 20 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.683 -0.108 18485 11976 1 20 . 1 1 39 39 VAL C C 39 177.056 177.056 177.891 -0.835 18485 11977 1 20 . 1 1 39 39 VAL CA C 39 66.810 66.810 65.765 1.045 18485 11978 1 20 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.868 -0.373 18485 11979 1 20 . 1 1 39 39 VAL H H 39 7.879 7.879 7.437 0.442 18485 11980 1 20 . 1 1 40 40 LEU N N 40 118.145 118.145 118.764 -0.619 18485 11981 1 20 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.984 -0.210 18485 11982 1 20 . 1 1 40 40 LEU C C 40 179.794 179.794 178.654 1.140 18485 11983 1 20 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.370 0.794 18485 11984 1 20 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.158 -0.561 18485 11985 1 20 . 1 1 40 40 LEU H H 40 7.574 7.574 7.007 0.567 18485 11986 1 20 . 1 1 41 41 GLU N N 41 116.305 116.305 119.835 -3.530 18485 11987 1 20 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.213 0.084 18485 11988 1 20 . 1 1 41 41 GLU C C 41 181.117 181.117 179.621 1.496 18485 11989 1 20 . 1 1 41 41 GLU CA C 41 58.552 58.552 59.385 -0.833 18485 11990 1 20 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.743 -0.622 18485 11991 1 20 . 1 1 41 41 GLU H H 41 8.871 8.871 8.699 0.172 18485 11992 1 20 . 1 1 42 42 ALA N N 42 124.797 124.797 121.702 3.095 18485 11993 1 20 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.265 -0.100 18485 11994 1 20 . 1 1 42 42 ALA C C 42 180.275 180.275 178.525 1.750 18485 11995 1 20 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.139 0.841 18485 11996 1 20 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.750 -1.091 18485 11997 1 20 . 1 1 42 42 ALA H H 42 8.285 8.285 8.171 0.114 18485 11998 1 20 . 1 1 43 43 LEU N N 43 115.767 115.767 115.987 -0.220 18485 11999 1 20 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.447 -0.198 18485 12000 1 20 . 1 1 43 43 LEU C C 43 177.177 177.177 176.926 0.251 18485 12001 1 20 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.111 1.296 18485 12002 1 20 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.726 0.757 18485 12003 1 20 . 1 1 43 43 LEU H H 43 7.528 7.528 7.523 0.005 18485 12004 1 20 . 1 1 44 44 GLY N N 44 108.593 108.593 107.304 1.289 18485 12005 1 20 . 1 1 44 44 GLY C C 44 175.011 175.011 174.420 0.591 18485 12006 1 20 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.640 0.701 18485 12007 1 20 . 1 1 44 44 GLY H H 44 7.927 7.927 7.732 0.195 18485 12008 1 20 . 1 1 45 45 LEU N N 45 117.269 117.269 117.663 -0.394 18485 12009 1 20 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.742 -0.290 18485 12010 1 20 . 1 1 45 45 LEU C C 45 176.976 176.976 176.886 0.090 18485 12011 1 20 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.994 0.406 18485 12012 1 20 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.850 -0.134 18485 12013 1 20 . 1 1 45 45 LEU H H 45 7.482 7.482 7.675 -0.193 18485 12014 1 20 . 1 1 46 46 GLU N N 46 121.177 121.177 123.502 -2.325 18485 12015 1 20 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.286 0.177 18485 12016 1 20 . 1 1 46 46 GLU C C 46 176.135 176.135 175.024 1.111 18485 12017 1 20 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.635 -0.111 18485 12018 1 20 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.059 0.174 18485 12019 1 20 . 1 1 46 46 GLU H H 46 8.250 8.250 8.742 -0.492 18485 12020 1 20 . 1 1 47 47 TYR N N 47 119.617 119.617 120.746 -1.129 18485 12021 1 20 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.170 0.128 18485 12022 1 20 . 1 1 47 47 TYR C C 47 173.798 173.798 174.571 -0.773 18485 12023 1 20 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.420 0.404 18485 12024 1 20 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.166 0.905 18485 12025 1 20 . 1 1 47 47 TYR H H 47 7.874 7.874 7.713 0.161 18485 12026 1 20 . 1 1 48 48 THR N N 48 117.577 117.577 117.923 -0.346 18485 12027 1 20 . 1 1 48 48 THR HA H 48 4.266 4.266 4.496 -0.230 18485 12028 1 20 . 1 1 48 48 THR C C 48 171.941 171.941 172.937 -0.996 18485 12029 1 20 . 1 1 48 48 THR CA C 48 62.299 62.299 61.694 0.605 18485 12030 1 20 . 1 1 48 48 THR CB C 48 70.899 70.899 70.920 -0.021 18485 12031 1 20 . 1 1 48 48 THR H H 48 8.549 8.549 8.542 0.007 18485 12032 1 20 . 1 1 49 49 SER N N 49 121.488 121.488 120.345 1.143 18485 12033 1 20 . 1 1 49 49 SER HA H 49 5.516 5.516 5.041 0.475 18485 12034 1 20 . 1 1 49 49 SER C C 49 173.691 173.691 173.057 0.634 18485 12035 1 20 . 1 1 49 49 SER CA C 49 55.758 55.758 56.626 -0.868 18485 12036 1 20 . 1 1 49 49 SER CB C 49 66.386 66.386 64.644 1.742 18485 12037 1 20 . 1 1 49 49 SER H H 49 8.536 8.536 8.369 0.167 18485 12038 1 20 . 1 1 50 50 PHE N N 50 124.791 124.791 123.770 1.021 18485 12039 1 20 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.635 0.080 18485 12040 1 20 . 1 1 50 50 PHE C C 50 173.608 173.608 174.195 -0.587 18485 12041 1 20 . 1 1 50 50 PHE CA C 50 57.339 57.339 56.729 0.610 18485 12042 1 20 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.540 0.989 18485 12043 1 20 . 1 1 50 50 PHE H H 50 8.627 8.627 8.868 -0.241 18485 12044 1 20 . 1 1 51 51 ASP N N 51 120.606 120.606 122.718 -2.112 18485 12045 1 20 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.501 -0.131 18485 12046 1 20 . 1 1 51 51 ASP C C 51 178.779 178.779 177.913 0.866 18485 12047 1 20 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.110 0.124 18485 12048 1 20 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.326 0.849 18485 12049 1 20 . 1 1 51 51 ASP H H 51 8.415 8.415 8.602 -0.187 18485 12050 1 20 . 1 1 52 52 VAL N N 52 119.623 119.623 116.393 3.230 18485 12051 1 20 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.054 0.052 18485 12052 1 20 . 1 1 52 52 VAL C C 52 176.682 176.682 176.092 0.590 18485 12053 1 20 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.463 -1.137 18485 12054 1 20 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.772 0.002 18485 12055 1 20 . 1 1 52 52 VAL H H 52 9.307 9.307 8.437 0.870 18485 12056 1 20 . 1 1 53 53 LEU N N 53 118.392 118.392 117.343 1.049 18485 12057 1 20 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.345 -0.087 18485 12058 1 20 . 1 1 53 53 LEU C C 53 179.153 179.153 177.782 1.371 18485 12059 1 20 . 1 1 53 53 LEU CA C 53 55.763 55.763 55.795 -0.032 18485 12060 1 20 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.924 -0.889 18485 12061 1 20 . 1 1 53 53 LEU H H 53 9.008 9.008 8.095 0.913 18485 12062 1 20 . 1 1 54 54 ALA N N 54 119.577 119.577 120.304 -0.727 18485 12063 1 20 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.424 -0.184 18485 12064 1 20 . 1 1 54 54 ALA C C 54 177.657 177.657 177.690 -0.033 18485 12065 1 20 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.727 0.661 18485 12066 1 20 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.933 -0.814 18485 12067 1 20 . 1 1 54 54 ALA H H 54 7.304 7.304 7.480 -0.176 18485 12068 1 20 . 1 1 55 55 HIS N N 55 114.383 114.383 117.905 -3.522 18485 12069 1 20 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.964 0.160 18485 12070 1 20 . 1 1 55 55 HIS C C 55 174.238 174.238 173.299 0.939 18485 12071 1 20 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.788 -0.695 18485 12072 1 20 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.528 1.261 18485 12073 1 20 . 1 1 55 55 HIS H H 55 6.894 6.894 7.844 -0.950 18485 12074 1 20 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.198 0.128 18485 12075 1 20 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.634 -0.372 18485 12076 1 20 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.265 -0.224 18485 12077 1 20 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.734 0.253 18485 12078 1 20 . 1 1 57 57 VAL C C 57 177.804 177.804 178.227 -0.423 18485 12079 1 20 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.611 -1.284 18485 12080 1 20 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.590 -0.369 18485 12081 1 20 . 1 1 57 57 VAL H H 57 9.778 9.778 8.053 1.725 18485 12082 1 20 . 1 1 58 58 VAL N N 58 120.641 120.641 118.552 2.089 18485 12083 1 20 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.765 -0.233 18485 12084 1 20 . 1 1 58 58 VAL C C 58 177.270 177.270 177.905 -0.635 18485 12085 1 20 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.793 -0.883 18485 12086 1 20 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.206 0.216 18485 12087 1 20 . 1 1 58 58 VAL H H 58 7.540 7.540 8.106 -0.566 18485 12088 1 20 . 1 1 59 59 ARG N N 59 118.263 118.263 118.931 -0.668 18485 12089 1 20 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.231 -0.317 18485 12090 1 20 . 1 1 59 59 ARG C C 59 178.579 178.579 178.639 -0.060 18485 12091 1 20 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.286 0.693 18485 12092 1 20 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.548 0.404 18485 12093 1 20 . 1 1 59 59 ARG H H 59 7.536 7.536 7.661 -0.125 18485 12094 1 20 . 1 1 60 60 SER N N 60 113.091 113.091 116.523 -3.432 18485 12095 1 20 . 1 1 60 60 SER HA H 60 4.161 4.161 4.247 -0.086 18485 12096 1 20 . 1 1 60 60 SER C C 60 175.761 175.761 176.340 -0.579 18485 12097 1 20 . 1 1 60 60 SER CA C 60 61.435 61.435 62.140 -0.705 18485 12098 1 20 . 1 1 60 60 SER CB C 60 62.721 62.721 63.333 -0.612 18485 12099 1 20 . 1 1 60 60 SER H H 60 8.204 8.204 8.448 -0.244 18485 12100 1 20 . 1 1 61 61 TYR N N 61 123.436 123.436 123.470 -0.034 18485 12101 1 20 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.062 -0.180 18485 12102 1 20 . 1 1 61 61 TYR C C 61 177.731 177.731 177.389 0.342 18485 12103 1 20 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.974 0.055 18485 12104 1 20 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.406 0.749 18485 12105 1 20 . 1 1 61 61 TYR H H 61 8.024 8.024 8.411 -0.387 18485 12106 1 20 . 1 1 62 62 VAL N N 62 115.253 115.253 118.786 -3.533 18485 12107 1 20 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.348 0.181 18485 12108 1 20 . 1 1 62 62 VAL C C 62 176.990 176.990 178.048 -1.058 18485 12109 1 20 . 1 1 62 62 VAL CA C 62 65.224 65.224 66.594 -1.369 18485 12110 1 20 . 1 1 62 62 VAL CB C 62 31.436 31.436 30.785 0.651 18485 12111 1 20 . 1 1 62 62 VAL H H 62 7.754 7.754 7.576 0.178 18485 12112 1 20 . 1 1 63 63 LYS N N 63 117.543 117.543 118.634 -1.091 18485 12113 1 20 . 1 1 63 63 LYS HA H 63 4.029 4.029 3.999 0.030 18485 12114 1 20 . 1 1 63 63 LYS C C 63 177.549 177.549 179.489 -1.940 18485 12115 1 20 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.822 -0.495 18485 12116 1 20 . 1 1 63 63 LYS CB C 63 32.761 32.761 31.998 0.763 18485 12117 1 20 . 1 1 63 63 LYS H H 63 7.367 7.367 7.795 -0.428 18485 12118 1 20 . 1 1 64 64 GLU N N 64 116.093 116.093 115.857 0.236 18485 12119 1 20 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.277 -0.163 18485 12120 1 20 . 1 1 64 64 GLU C C 64 177.547 177.547 177.231 0.316 18485 12121 1 20 . 1 1 64 64 GLU CA C 64 57.505 57.505 57.926 -0.421 18485 12122 1 20 . 1 1 64 64 GLU CB C 64 30.377 30.377 31.019 -0.642 18485 12123 1 20 . 1 1 64 64 GLU H H 64 7.701 7.701 8.050 -0.349 18485 12124 1 20 . 1 1 65 65 VAL N N 65 116.739 116.739 116.375 0.364 18485 12125 1 20 . 1 1 65 65 VAL HA H 65 3.835 3.835 4.149 -0.314 18485 12126 1 20 . 1 1 65 65 VAL C C 65 176.335 176.335 176.651 -0.316 18485 12127 1 20 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.094 0.402 18485 12128 1 20 . 1 1 65 65 VAL CB C 65 32.243 32.243 33.434 -1.190 18485 12129 1 20 . 1 1 65 65 VAL H H 65 7.608 7.608 7.763 -0.155 18485 12130 1 20 . 1 1 66 66 SER N N 66 114.353 114.353 114.467 -0.114 18485 12131 1 20 . 1 1 66 66 SER HA H 66 4.230 4.230 4.235 -0.005 18485 12132 1 20 . 1 1 66 66 SER C C 66 174.345 174.345 175.178 -0.833 18485 12133 1 20 . 1 1 66 66 SER CA C 66 58.038 58.038 58.797 -0.759 18485 12134 1 20 . 1 1 66 66 SER CB C 66 63.898 63.898 65.077 -1.179 18485 12135 1 20 . 1 1 66 66 SER H H 66 7.526 7.526 7.895 -0.369 18485 12136 1 20 . 1 1 67 67 GLU N N 67 121.681 121.681 117.001 4.680 18485 12137 1 20 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.045 -0.180 18485 12138 1 20 . 1 1 67 67 GLU C C 67 175.748 175.748 174.963 0.785 18485 12139 1 20 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.311 0.534 18485 12140 1 20 . 1 1 67 67 GLU CB C 67 29.380 29.380 27.462 1.917 18485 12141 1 20 . 1 1 67 67 GLU H H 67 7.966 7.966 8.251 -0.285 18485 12142 1 20 . 1 1 68 68 TRP N N 68 119.264 119.264 120.513 -1.249 18485 12143 1 20 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.911 0.024 18485 12144 1 20 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.298 -0.442 18485 12145 1 20 . 1 1 68 68 TRP CB C 68 30.717 30.717 31.426 -0.709 18485 12146 1 20 . 1 1 68 68 TRP H H 68 7.633 7.633 7.124 0.509 18485 12147 1 20 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.355 0.087 18485 12148 1 20 . 1 1 69 69 PRO C C 69 176.375 176.375 176.175 0.200 18485 12149 1 20 . 1 1 69 69 PRO CA C 69 63.567 63.567 64.021 -0.454 18485 12150 1 20 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.747 -0.234 18485 12151 1 20 . 1 1 70 70 THR N N 70 114.312 114.312 116.216 -1.904 18485 12152 1 20 . 1 1 70 70 THR HA H 70 4.344 4.344 4.282 0.062 18485 12153 1 20 . 1 1 70 70 THR C C 70 172.275 172.275 174.007 -1.732 18485 12154 1 20 . 1 1 70 70 THR CA C 70 61.465 61.465 63.143 -1.678 18485 12155 1 20 . 1 1 70 70 THR CB C 70 70.433 70.433 69.898 0.534 18485 12156 1 20 . 1 1 70 70 THR H H 70 7.162 7.162 7.521 -0.359 18485 12157 1 20 . 1 1 71 71 ILE N N 71 123.770 123.770 124.108 -0.338 18485 12158 1 20 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.530 -0.028 18485 12159 1 20 . 1 1 71 71 ILE C C 71 175.106 175.106 174.733 0.373 18485 12160 1 20 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.119 -1.364 18485 12161 1 20 . 1 1 71 71 ILE CB C 71 40.077 40.077 38.890 1.187 18485 12162 1 20 . 1 1 71 71 ILE H H 71 8.398 8.398 8.252 0.146 18485 12163 1 20 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.962 0.596 18485 12164 1 20 . 1 1 72 72 PRO C C 72 175.507 175.507 175.771 -0.264 18485 12165 1 20 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.336 0.102 18485 12166 1 20 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.207 4.449 18485 12167 1 20 . 1 1 73 73 GLN N N 73 112.013 112.013 116.042 -4.029 18485 12168 1 20 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.418 -0.326 18485 12169 1 20 . 1 1 73 73 GLN C C 73 174.559 174.559 174.846 -0.287 18485 12170 1 20 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.844 0.685 18485 12171 1 20 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.816 0.623 18485 12172 1 20 . 1 1 73 73 GLN H H 73 8.521 8.521 8.630 -0.109 18485 12173 1 20 . 1 1 74 74 LEU N N 74 124.684 124.684 121.697 2.987 18485 12174 1 20 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.321 0.011 18485 12175 1 20 . 1 1 74 74 LEU C C 74 172.761 172.761 174.538 -1.777 18485 12176 1 20 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.937 0.619 18485 12177 1 20 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.274 0.769 18485 12178 1 20 . 1 1 74 74 LEU H H 74 8.266 8.266 8.668 -0.402 18485 12179 1 20 . 1 1 75 75 PHE N N 75 126.827 126.827 123.709 3.118 18485 12180 1 20 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.458 -0.215 18485 12181 1 20 . 1 1 75 75 PHE C C 75 174.813 174.813 174.760 0.053 18485 12182 1 20 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.374 0.694 18485 12183 1 20 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.477 -0.828 18485 12184 1 20 . 1 1 75 75 PHE H H 75 9.692 9.692 9.461 0.231 18485 12185 1 20 . 1 1 76 76 ILE N N 76 118.421 118.421 121.957 -3.536 18485 12186 1 20 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.968 0.135 18485 12187 1 20 . 1 1 76 76 ILE C C 76 176.242 176.242 176.288 -0.046 18485 12188 1 20 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.236 -0.043 18485 12189 1 20 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.464 0.061 18485 12190 1 20 . 1 1 76 76 ILE H H 76 8.612 8.612 9.255 -0.643 18485 12191 1 20 . 1 1 77 77 LYS N N 77 129.856 129.856 126.567 3.289 18485 12192 1 20 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.942 0.250 18485 12193 1 20 . 1 1 77 77 LYS C C 77 175.887 175.887 176.368 -0.481 18485 12194 1 20 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.244 -0.643 18485 12195 1 20 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.408 1.191 18485 12196 1 20 . 1 1 77 77 LYS H H 77 10.357 10.357 9.184 1.173 18485 12197 1 20 . 1 1 78 78 ALA N N 78 114.323 114.323 115.960 -1.637 18485 12198 1 20 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.104 -0.266 18485 12199 1 20 . 1 1 78 78 ALA C C 78 175.949 175.949 176.528 -0.579 18485 12200 1 20 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.763 -0.245 18485 12201 1 20 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.350 -0.115 18485 12202 1 20 . 1 1 78 78 ALA H H 78 9.554 9.554 8.842 0.712 18485 12203 1 20 . 1 1 79 79 GLU N N 79 120.498 120.498 119.096 1.402 18485 12204 1 20 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.804 -0.040 18485 12205 1 20 . 1 1 79 79 GLU C C 79 175.200 175.200 175.265 -0.065 18485 12206 1 20 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.332 0.439 18485 12207 1 20 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.734 -0.732 18485 12208 1 20 . 1 1 79 79 GLU H H 79 8.219 8.219 7.814 0.405 18485 12209 1 20 . 1 1 80 80 PHE N N 80 125.962 125.962 125.173 0.789 18485 12210 1 20 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.555 -0.163 18485 12211 1 20 . 1 1 80 80 PHE C C 80 175.280 175.280 174.810 0.470 18485 12212 1 20 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.825 -0.566 18485 12213 1 20 . 1 1 80 80 PHE CB C 80 38.548 38.548 38.994 -0.446 18485 12214 1 20 . 1 1 80 80 PHE H H 80 8.935 8.935 8.684 0.251 18485 12215 1 20 . 1 1 81 81 VAL N N 81 128.637 128.637 124.394 4.243 18485 12216 1 20 . 1 1 81 81 VAL HA H 81 3.769 3.769 4.055 -0.286 18485 12217 1 20 . 1 1 81 81 VAL C C 81 174.733 174.733 174.826 -0.093 18485 12218 1 20 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.285 0.754 18485 12219 1 20 . 1 1 81 81 VAL CB C 81 32.638 32.638 34.004 -1.366 18485 12220 1 20 . 1 1 81 81 VAL H H 81 8.288 8.288 8.087 0.201 18485 12221 1 20 . 1 1 82 82 GLY N N 82 100.310 100.310 105.787 -5.477 18485 12222 1 20 . 1 1 82 82 GLY C C 82 172.515 172.515 172.507 0.008 18485 12223 1 20 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.422 0.798 18485 12224 1 20 . 1 1 82 82 GLY H H 82 5.816 5.816 6.366 -0.550 18485 12225 1 20 . 1 1 83 83 GLY N N 83 104.342 104.342 106.747 -2.405 18485 12226 1 20 . 1 1 83 83 GLY C C 83 173.758 173.758 175.103 -1.345 18485 12227 1 20 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.906 -0.083 18485 12228 1 20 . 1 1 83 83 GLY H H 83 7.401 7.401 8.345 -0.944 18485 12229 1 20 . 1 1 84 84 LEU N N 84 118.350 118.350 121.565 -3.215 18485 12230 1 20 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.168 -0.388 18485 12231 1 20 . 1 1 84 84 LEU C C 84 178.245 178.245 178.587 -0.342 18485 12232 1 20 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.975 0.279 18485 12233 1 20 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.731 0.871 18485 12234 1 20 . 1 1 84 84 LEU H H 84 8.807 8.807 8.391 0.416 18485 12235 1 20 . 1 1 85 85 ASP N N 85 118.373 118.373 117.055 1.318 18485 12236 1 20 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.461 -0.195 18485 12237 1 20 . 1 1 85 85 ASP C C 85 178.296 178.296 178.491 -0.195 18485 12238 1 20 . 1 1 85 85 ASP CA C 85 57.612 57.612 56.995 0.617 18485 12239 1 20 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.734 -1.235 18485 12240 1 20 . 1 1 85 85 ASP H H 85 8.697 8.697 8.560 0.137 18485 12241 1 20 . 1 1 86 86 ILE N N 86 120.495 120.495 119.504 0.991 18485 12242 1 20 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.925 -0.079 18485 12243 1 20 . 1 1 86 86 ILE C C 86 177.657 177.657 178.041 -0.384 18485 12244 1 20 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.649 -0.791 18485 12245 1 20 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.357 0.156 18485 12246 1 20 . 1 1 86 86 ILE H H 86 7.605 7.605 7.319 0.286 18485 12247 1 20 . 1 1 87 87 VAL N N 87 120.596 120.596 118.388 2.208 18485 12248 1 20 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.690 -0.383 18485 12249 1 20 . 1 1 87 87 VAL C C 87 177.629 177.629 178.051 -0.422 18485 12250 1 20 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.724 0.987 18485 12251 1 20 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.568 1.097 18485 12252 1 20 . 1 1 87 87 VAL H H 87 7.934 7.934 7.764 0.170 18485 12253 1 20 . 1 1 88 88 THR N N 88 112.971 112.971 112.586 0.385 18485 12254 1 20 . 1 1 88 88 THR HA H 88 3.822 3.822 4.031 -0.209 18485 12255 1 20 . 1 1 88 88 THR C C 88 176.896 176.896 176.519 0.377 18485 12256 1 20 . 1 1 88 88 THR CA C 88 66.898 66.898 66.272 0.626 18485 12257 1 20 . 1 1 88 88 THR CB C 88 68.370 68.370 68.301 0.069 18485 12258 1 20 . 1 1 88 88 THR H H 88 8.719 8.719 7.940 0.779 18485 12259 1 20 . 1 1 89 89 LYS N N 89 123.633 123.633 122.529 1.104 18485 12260 1 20 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.152 -0.003 18485 12261 1 20 . 1 1 89 89 LYS C C 89 179.648 179.648 178.739 0.909 18485 12262 1 20 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.458 0.168 18485 12263 1 20 . 1 1 89 89 LYS CB C 89 32.088 32.088 32.186 -0.098 18485 12264 1 20 . 1 1 89 89 LYS H H 89 7.568 7.568 7.418 0.150 18485 12265 1 20 . 1 1 90 90 MET N N 90 118.147 118.147 119.063 -0.916 18485 12266 1 20 . 1 1 90 90 MET HA H 90 4.333 4.333 4.207 0.126 18485 12267 1 20 . 1 1 90 90 MET C C 90 179.634 179.634 178.899 0.735 18485 12268 1 20 . 1 1 90 90 MET CA C 90 58.590 58.590 59.057 -0.467 18485 12269 1 20 . 1 1 90 90 MET CB C 90 34.033 34.033 32.616 1.417 18485 12270 1 20 . 1 1 90 90 MET H H 90 8.520 8.520 8.083 0.437 18485 12271 1 20 . 1 1 91 91 LEU N N 91 124.789 124.789 121.452 3.337 18485 12272 1 20 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.996 0.204 18485 12273 1 20 . 1 1 91 91 LEU C C 91 179.696 179.696 178.618 1.078 18485 12274 1 20 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.728 0.353 18485 12275 1 20 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.873 -0.012 18485 12276 1 20 . 1 1 91 91 LEU H H 91 8.792 8.792 7.821 0.971 18485 12277 1 20 . 1 1 92 92 GLU N N 92 118.965 118.965 118.273 0.692 18485 12278 1 20 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.051 -0.034 18485 12279 1 20 . 1 1 92 92 GLU C C 92 178.352 178.352 178.623 -0.271 18485 12280 1 20 . 1 1 92 92 GLU CA C 92 59.078 59.078 58.812 0.266 18485 12281 1 20 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.743 -0.052 18485 12282 1 20 . 1 1 92 92 GLU H H 92 7.999 7.999 7.745 0.254 18485 12283 1 20 . 1 1 93 93 SER N N 93 111.381 111.381 111.941 -0.560 18485 12284 1 20 . 1 1 93 93 SER HA H 93 4.406 4.406 4.376 0.030 18485 12285 1 20 . 1 1 93 93 SER C C 93 175.948 175.948 175.723 0.225 18485 12286 1 20 . 1 1 93 93 SER CA C 93 59.192 59.192 58.476 0.716 18485 12287 1 20 . 1 1 93 93 SER CB C 93 64.227 64.227 63.653 0.574 18485 12288 1 20 . 1 1 93 93 SER H H 93 8.270 8.270 7.748 0.522 18485 12289 1 20 . 1 1 94 94 GLY N N 94 109.172 109.172 110.804 -1.632 18485 12290 1 20 . 1 1 94 94 GLY C C 94 174.906 174.906 175.361 -0.455 18485 12291 1 20 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.179 -0.796 18485 12292 1 20 . 1 1 94 94 GLY H H 94 7.406 7.406 7.589 -0.183 18485 12293 1 20 . 1 1 95 95 ASP N N 95 122.640 122.640 121.349 1.291 18485 12294 1 20 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.366 0.113 18485 12295 1 20 . 1 1 95 95 ASP C C 95 178.486 178.486 177.351 1.135 18485 12296 1 20 . 1 1 95 95 ASP CA C 95 57.251 57.251 56.791 0.460 18485 12297 1 20 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.883 0.487 18485 12298 1 20 . 1 1 95 95 ASP H H 95 8.337 8.337 7.847 0.490 18485 12299 1 20 . 1 1 96 96 LEU N N 96 122.329 122.329 119.632 2.697 18485 12300 1 20 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.009 0.072 18485 12301 1 20 . 1 1 96 96 LEU C C 96 177.070 177.070 178.606 -1.536 18485 12302 1 20 . 1 1 96 96 LEU CA C 96 57.960 57.960 57.936 0.024 18485 12303 1 20 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.785 -0.883 18485 12304 1 20 . 1 1 96 96 LEU H H 96 7.992 7.992 8.105 -0.113 18485 12305 1 20 . 1 1 97 97 LYS N N 97 118.159 118.159 118.126 0.033 18485 12306 1 20 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.922 -0.001 18485 12307 1 20 . 1 1 97 97 LYS C C 97 178.245 178.245 178.877 -0.632 18485 12308 1 20 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.701 0.399 18485 12309 1 20 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.848 0.080 18485 12310 1 20 . 1 1 97 97 LYS H H 97 8.254 8.254 8.208 0.046 18485 12311 1 20 . 1 1 98 98 LYS N N 98 117.677 117.677 119.716 -2.039 18485 12312 1 20 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.073 -0.136 18485 12313 1 20 . 1 1 98 98 LYS C C 98 177.471 177.471 178.628 -1.157 18485 12314 1 20 . 1 1 98 98 LYS CA C 98 59.930 59.930 58.795 1.135 18485 12315 1 20 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.166 0.574 18485 12316 1 20 . 1 1 98 98 LYS H H 98 7.388 7.388 8.183 -0.795 18485 12317 1 20 . 1 1 99 99 MET N N 99 119.426 119.426 119.153 0.273 18485 12318 1 20 . 1 1 99 99 MET HA H 99 4.138 4.138 4.179 -0.041 18485 12319 1 20 . 1 1 99 99 MET C C 99 178.018 178.018 178.433 -0.415 18485 12320 1 20 . 1 1 99 99 MET CA C 99 59.151 59.151 59.283 -0.132 18485 12321 1 20 . 1 1 99 99 MET CB C 99 32.550 32.550 32.575 -0.025 18485 12322 1 20 . 1 1 99 99 MET H H 99 7.934 7.934 7.957 -0.023 18485 12323 1 20 . 1 1 100 100 LEU N N 100 118.006 118.006 119.069 -1.063 18485 12324 1 20 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.865 -0.074 18485 12325 1 20 . 1 1 100 100 LEU C C 100 178.592 178.592 178.900 -0.308 18485 12326 1 20 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.150 0.452 18485 12327 1 20 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.324 -0.624 18485 12328 1 20 . 1 1 100 100 LEU H H 100 8.131 8.131 7.969 0.162 18485 12329 1 20 . 1 1 101 101 ARG N N 101 118.551 118.551 117.925 0.626 18485 12330 1 20 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.025 0.101 18485 12331 1 20 . 1 1 101 101 ARG C C 101 181.117 181.117 178.554 2.563 18485 12332 1 20 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.938 0.340 18485 12333 1 20 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.642 0.150 18485 12334 1 20 . 1 1 101 101 ARG H H 101 8.045 8.045 7.768 0.277 18485 12335 1 20 . 1 1 102 102 ASP N N 102 122.544 122.544 121.103 1.441 18485 12336 1 20 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.545 -0.140 18485 12337 1 20 . 1 1 102 102 ASP C C 102 178.405 178.405 178.115 0.290 18485 12338 1 20 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.425 0.877 18485 12339 1 20 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.616 -0.303 18485 12340 1 20 . 1 1 102 102 ASP H H 102 8.828 8.828 8.001 0.827 18485 12341 1 20 . 1 1 103 103 LYS N N 103 116.177 116.177 116.910 -0.733 18485 12342 1 20 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.491 -0.095 18485 12343 1 20 . 1 1 103 103 LYS C C 103 176.282 176.282 176.837 -0.555 18485 12344 1 20 . 1 1 103 103 LYS CA C 103 55.324 55.324 54.847 0.477 18485 12345 1 20 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.730 -0.015 18485 12346 1 20 . 1 1 103 103 LYS H H 103 7.847 7.847 8.112 -0.265 18485 12347 1 20 . 1 1 104 104 GLY N N 104 108.597 108.597 106.830 1.767 18485 12348 1 20 . 1 1 104 104 GLY C C 104 174.450 174.450 174.768 -0.318 18485 12349 1 20 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.407 0.916 18485 12350 1 20 . 1 1 104 104 GLY H H 104 7.930 7.930 7.587 0.343 18485 12351 1 20 . 1 1 105 105 ILE N N 105 123.232 123.232 120.410 2.822 18485 12352 1 20 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.242 -0.133 18485 12353 1 20 . 1 1 105 105 ILE C C 105 175.374 175.374 176.606 -1.232 18485 12354 1 20 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.813 -0.170 18485 12355 1 20 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.975 -0.287 18485 12356 1 20 . 1 1 105 105 ILE H H 105 8.323 8.323 7.933 0.390 18485 12357 1 20 . 1 1 106 106 THR N N 106 123.522 123.522 122.573 0.949 18485 12358 1 20 . 1 1 106 106 THR HA H 106 4.155 4.155 4.232 -0.077 18485 12359 1 20 . 1 1 106 106 THR C C 106 173.223 173.223 173.628 -0.405 18485 12360 1 20 . 1 1 106 106 THR CA C 106 63.189 63.189 63.950 -0.762 18485 12361 1 20 . 1 1 106 106 THR CB C 106 69.242 69.242 67.938 1.304 18485 12362 1 20 . 1 1 106 106 THR H H 106 8.521 8.521 8.600 -0.079 18485 12363 1 20 . 1 1 107 107 CYS N N 107 120.688 120.688 122.871 -2.183 18485 12364 1 20 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.348 -0.480 18485 12365 1 20 . 1 1 107 107 CYS C C 107 173.798 173.798 173.640 0.158 18485 12366 1 20 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.411 0.141 18485 12367 1 20 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.575 -1.113 18485 12368 1 20 . 1 1 107 107 CYS H H 107 8.247 8.247 8.128 0.119 18485 12369 1 20 . 1 1 108 108 ARG N N 108 122.349 122.349 120.847 1.502 18485 12370 1 20 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.356 -0.065 18485 12371 1 20 . 1 1 108 108 ARG C C 108 175.547 175.547 176.687 -1.140 18485 12372 1 20 . 1 1 108 108 ARG CA C 108 56.300 56.300 55.203 1.097 18485 12373 1 20 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.455 0.821 18485 12374 1 20 . 1 1 108 108 ARG H H 108 8.512 8.512 8.650 -0.138 18485 12375 1 20 . 1 1 109 109 ASP N N 109 121.453 121.453 120.457 0.996 18485 12376 1 20 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.469 0.156 18485 12377 1 20 . 1 1 109 109 ASP C C 109 174.973 174.973 176.976 -2.003 18485 12378 1 20 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.202 -0.963 18485 12379 1 20 . 1 1 109 109 ASP CB C 109 40.956 40.956 41.248 -0.292 18485 12380 1 20 . 1 1 109 109 ASP H H 109 8.399 8.399 8.390 0.009 18485 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 100 2.568 0.132 2.578 18485 2 1 1 "Average Difference" HA 114 0.257 0.005 0.258 18485 3 1 1 "Average Difference" C 106 0.938 0.105 0.937 18485 4 1 1 "Average Difference" CA 108 0.846 -0.080 0.846 18485 5 1 1 "Average Difference" CB 102 0.986 -0.189 0.973 18485 6 1 1 "Average Difference" HN 101 0.560 -0.099 0.554 18485 7 1 2 "Average Difference" N 100 2.489 0.295 2.484 18485 8 1 2 "Average Difference" HA 114 0.250 0.011 0.251 18485 9 1 2 "Average Difference" C 106 0.912 0.075 0.913 18485 10 1 2 "Average Difference" CA 108 0.818 -0.079 0.818 18485 11 1 2 "Average Difference" CB 102 0.933 -0.160 0.924 18485 12 1 2 "Average Difference" HN 101 0.541 -0.081 0.538 18485 13 1 3 "Average Difference" N 100 2.546 0.090 2.557 18485 14 1 3 "Average Difference" HA 114 0.253 0.021 0.253 18485 15 1 3 "Average Difference" C 106 0.924 0.054 0.927 18485 16 1 3 "Average Difference" CA 108 0.831 -0.042 0.834 18485 17 1 3 "Average Difference" CB 102 0.843 -0.113 0.839 18485 18 1 3 "Average Difference" HN 101 0.536 -0.063 0.535 18485 19 1 4 "Average Difference" N 100 2.687 0.191 2.693 18485 20 1 4 "Average Difference" HA 114 0.248 0.011 0.248 18485 21 1 4 "Average Difference" C 106 0.935 0.080 0.936 18485 22 1 4 "Average Difference" CA 108 0.860 -0.053 0.862 18485 23 1 4 "Average Difference" CB 102 0.933 -0.136 0.927 18485 24 1 4 "Average Difference" HN 101 0.526 -0.063 0.525 18485 25 1 5 "Average Difference" N 100 2.603 0.154 2.612 18485 26 1 5 "Average Difference" HA 114 0.253 0.011 0.254 18485 27 1 5 "Average Difference" C 106 0.951 0.068 0.953 18485 28 1 5 "Average Difference" CA 108 0.869 -0.078 0.870 18485 29 1 5 "Average Difference" CB 102 0.854 -0.166 0.842 18485 30 1 5 "Average Difference" HN 101 0.538 -0.099 0.531 18485 31 1 6 "Average Difference" N 100 2.628 0.127 2.639 18485 32 1 6 "Average Difference" HA 114 0.262 0.014 0.263 18485 33 1 6 "Average Difference" C 106 0.946 0.029 0.950 18485 34 1 6 "Average Difference" CA 108 0.797 -0.113 0.792 18485 35 1 6 "Average Difference" CB 102 0.919 -0.134 0.914 18485 36 1 6 "Average Difference" HN 101 0.514 -0.087 0.509 18485 37 1 7 "Average Difference" N 100 2.650 0.150 2.659 18485 38 1 7 "Average Difference" HA 114 0.253 0.009 0.254 18485 39 1 7 "Average Difference" C 106 0.955 0.122 0.952 18485 40 1 7 "Average Difference" CA 108 0.860 -0.058 0.862 18485 41 1 7 "Average Difference" CB 102 0.919 -0.144 0.912 18485 42 1 7 "Average Difference" HN 101 0.524 -0.057 0.524 18485 43 1 8 "Average Difference" N 100 2.564 0.106 2.575 18485 44 1 8 "Average Difference" HA 114 0.260 0.020 0.260 18485 45 1 8 "Average Difference" C 106 0.901 0.042 0.904 18485 46 1 8 "Average Difference" CA 108 0.824 -0.070 0.825 18485 47 1 8 "Average Difference" CB 102 0.904 -0.156 0.894 18485 48 1 8 "Average Difference" HN 101 0.559 -0.063 0.558 18485 49 1 9 "Average Difference" N 100 2.463 0.035 2.476 18485 50 1 9 "Average Difference" HA 114 0.245 0.005 0.246 18485 51 1 9 "Average Difference" C 106 0.885 0.055 0.888 18485 52 1 9 "Average Difference" CA 108 0.809 -0.109 0.805 18485 53 1 9 "Average Difference" CB 102 0.887 -0.194 0.870 18485 54 1 9 "Average Difference" HN 101 0.561 -0.090 0.556 18485 55 1 10 "Average Difference" N 100 2.580 0.264 2.579 18485 56 1 10 "Average Difference" HA 114 0.267 -0.004 0.268 18485 57 1 10 "Average Difference" C 106 0.927 0.082 0.927 18485 58 1 10 "Average Difference" CA 108 0.855 -0.066 0.857 18485 59 1 10 "Average Difference" CB 102 0.962 -0.204 0.945 18485 60 1 10 "Average Difference" HN 101 0.537 -0.075 0.534 18485 61 1 11 "Average Difference" N 100 2.628 0.121 2.639 18485 62 1 11 "Average Difference" HA 114 0.251 0.014 0.252 18485 63 1 11 "Average Difference" C 106 0.951 0.078 0.953 18485 64 1 11 "Average Difference" CA 108 0.839 -0.037 0.843 18485 65 1 11 "Average Difference" CB 102 0.918 -0.168 0.907 18485 66 1 11 "Average Difference" HN 101 0.572 -0.087 0.568 18485 67 1 12 "Average Difference" N 100 2.568 0.073 2.580 18485 68 1 12 "Average Difference" HA 114 0.242 0.013 0.243 18485 69 1 12 "Average Difference" C 106 0.908 0.087 0.908 18485 70 1 12 "Average Difference" CA 108 0.796 -0.098 0.793 18485 71 1 12 "Average Difference" CB 102 0.941 -0.191 0.926 18485 72 1 12 "Average Difference" HN 101 0.518 -0.082 0.514 18485 73 1 13 "Average Difference" N 100 2.676 0.082 2.688 18485 74 1 13 "Average Difference" HA 114 0.257 0.022 0.257 18485 75 1 13 "Average Difference" C 106 0.942 0.053 0.945 18485 76 1 13 "Average Difference" CA 108 0.828 -0.085 0.828 18485 77 1 13 "Average Difference" CB 102 0.929 -0.165 0.919 18485 78 1 13 "Average Difference" HN 101 0.572 -0.098 0.566 18485 79 1 14 "Average Difference" N 100 2.546 0.097 2.557 18485 80 1 14 "Average Difference" HA 114 0.254 0.001 0.255 18485 81 1 14 "Average Difference" C 106 0.931 0.032 0.935 18485 82 1 14 "Average Difference" CA 108 0.849 -0.025 0.852 18485 83 1 14 "Average Difference" CB 102 0.827 -0.107 0.825 18485 84 1 14 "Average Difference" HN 101 0.529 -0.078 0.526 18485 85 1 15 "Average Difference" N 100 2.534 0.078 2.545 18485 86 1 15 "Average Difference" HA 114 0.254 0.003 0.255 18485 87 1 15 "Average Difference" C 106 0.916 0.022 0.920 18485 88 1 15 "Average Difference" CA 108 0.800 -0.031 0.804 18485 89 1 15 "Average Difference" CB 102 0.831 -0.145 0.822 18485 90 1 15 "Average Difference" HN 101 0.550 -0.047 0.550 18485 91 1 16 "Average Difference" N 100 2.558 0.170 2.565 18485 92 1 16 "Average Difference" HA 114 0.254 0.003 0.255 18485 93 1 16 "Average Difference" C 106 0.908 0.067 0.910 18485 94 1 16 "Average Difference" CA 108 0.863 -0.090 0.862 18485 95 1 16 "Average Difference" CB 102 0.895 -0.197 0.878 18485 96 1 16 "Average Difference" HN 101 0.574 -0.050 0.575 18485 97 1 17 "Average Difference" N 100 2.662 0.179 2.669 18485 98 1 17 "Average Difference" HA 114 0.250 0.008 0.251 18485 99 1 17 "Average Difference" C 106 0.933 0.089 0.933 18485 100 1 17 "Average Difference" CA 108 0.897 -0.043 0.900 18485 101 1 17 "Average Difference" CB 102 0.915 -0.187 0.900 18485 102 1 17 "Average Difference" HN 101 0.516 -0.072 0.514 18485 103 1 18 "Average Difference" N 100 2.578 0.144 2.587 18485 104 1 18 "Average Difference" HA 114 0.250 0.018 0.250 18485 105 1 18 "Average Difference" C 106 0.929 0.068 0.931 18485 106 1 18 "Average Difference" CA 108 0.817 -0.109 0.813 18485 107 1 18 "Average Difference" CB 102 0.878 -0.161 0.868 18485 108 1 18 "Average Difference" HN 101 0.531 -0.095 0.525 18485 109 1 19 "Average Difference" N 100 2.693 0.191 2.700 18485 110 1 19 "Average Difference" HA 114 0.251 -0.000 0.252 18485 111 1 19 "Average Difference" C 106 0.943 0.122 0.940 18485 112 1 19 "Average Difference" CA 108 0.860 -0.020 0.864 18485 113 1 19 "Average Difference" CB 102 0.911 -0.202 0.893 18485 114 1 19 "Average Difference" HN 101 0.526 -0.067 0.524 18485 115 1 20 "Average Difference" N 100 2.603 0.071 2.616 18485 116 1 20 "Average Difference" HA 114 0.249 0.021 0.250 18485 117 1 20 "Average Difference" C 106 0.951 0.094 0.951 18485 118 1 20 "Average Difference" CA 108 0.850 -0.062 0.852 18485 119 1 20 "Average Difference" CB 102 0.925 -0.131 0.920 18485 120 1 20 "Average Difference" HN 101 0.544 -0.082 0.541 18485 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 18485 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.412 4.412 4.450 -0.038 18485 2 1 . 1 1 2 2 ALA C C 2 177.283 177.283 176.314 0.969 18485 3 1 . 1 1 2 2 ALA CA C 2 52.284 52.284 51.965 0.319 18485 4 1 . 1 1 2 2 ALA CB C 2 19.504 19.504 20.188 -0.684 18485 5 1 . 1 1 3 3 MET N N 3 121.052 121.052 123.006 -1.954 18485 6 1 . 1 1 3 3 MET HA H 3 4.458 4.458 4.686 -0.228 18485 7 1 . 1 1 3 3 MET C C 3 175.185 175.185 175.715 -0.530 18485 8 1 . 1 1 3 3 MET CA C 3 56.001 56.001 55.239 0.762 18485 9 1 . 1 1 3 3 MET CB C 3 34.282 34.282 33.577 0.705 18485 10 1 . 1 1 3 3 MET H H 3 8.313 8.313 8.360 -0.047 18485 11 1 . 1 1 4 4 VAL N N 4 116.976 116.976 120.165 -3.189 18485 12 1 . 1 1 4 4 VAL HA H 4 4.642 4.642 4.683 -0.041 18485 13 1 . 1 1 4 4 VAL C C 4 176.976 176.976 176.550 0.426 18485 14 1 . 1 1 4 4 VAL CA C 4 59.752 59.752 59.576 0.176 18485 15 1 . 1 1 4 4 VAL CB C 4 34.878 34.878 34.143 0.735 18485 16 1 . 1 1 4 4 VAL H H 4 8.432 8.432 8.732 -0.300 18485 17 1 . 1 1 5 5 LYS N N 5 123.795 123.795 123.115 0.680 18485 18 1 . 1 1 5 5 LYS HA H 5 3.586 3.586 4.061 -0.475 18485 19 1 . 1 1 5 5 LYS C C 5 178.205 178.205 178.283 -0.078 18485 20 1 . 1 1 5 5 LYS CA C 5 61.062 61.062 59.897 1.165 18485 21 1 . 1 1 5 5 LYS CB C 5 32.223 32.223 32.188 0.035 18485 22 1 . 1 1 5 5 LYS H H 5 8.725 8.725 8.778 -0.053 18485 23 1 . 1 1 6 6 LYS N N 6 117.559 117.559 118.560 -1.001 18485 24 1 . 1 1 6 6 LYS HA H 6 4.074 4.074 4.088 -0.014 18485 25 1 . 1 1 6 6 LYS C C 6 176.976 176.976 178.362 -1.386 18485 26 1 . 1 1 6 6 LYS CA C 6 59.019 59.019 59.215 -0.196 18485 27 1 . 1 1 6 6 LYS CB C 6 32.658 32.658 31.968 0.690 18485 28 1 . 1 1 6 6 LYS H H 6 8.395 8.395 8.411 -0.016 18485 29 1 . 1 1 7 7 ASP N N 7 116.710 116.710 119.484 -2.774 18485 30 1 . 1 1 7 7 ASP HA H 7 4.364 4.364 4.461 -0.097 18485 31 1 . 1 1 7 7 ASP C C 7 179.180 179.180 178.523 0.657 18485 32 1 . 1 1 7 7 ASP CA C 7 57.410 57.410 57.404 0.006 18485 33 1 . 1 1 7 7 ASP CB C 7 40.875 40.875 40.545 0.330 18485 34 1 . 1 1 7 7 ASP H H 7 7.415 7.415 8.016 -0.601 18485 35 1 . 1 1 8 8 ILE N N 8 120.990 120.990 120.176 0.814 18485 36 1 . 1 1 8 8 ILE HA H 8 3.277 3.277 3.530 -0.253 18485 37 1 . 1 1 8 8 ILE C C 8 177.537 177.537 177.480 0.057 18485 38 1 . 1 1 8 8 ILE CA C 8 64.560 64.560 64.857 -0.297 18485 39 1 . 1 1 8 8 ILE CB C 8 37.069 37.069 37.385 -0.316 18485 40 1 . 1 1 8 8 ILE H H 8 7.302 7.302 7.310 -0.008 18485 41 1 . 1 1 9 9 ASP N N 9 120.214 120.214 120.750 -0.536 18485 42 1 . 1 1 9 9 ASP HA H 9 4.207 4.207 4.417 -0.210 18485 43 1 . 1 1 9 9 ASP C C 9 178.564 178.564 178.449 0.115 18485 44 1 . 1 1 9 9 ASP CA C 9 58.008 58.008 57.553 0.455 18485 45 1 . 1 1 9 9 ASP CB C 9 41.882 41.882 41.066 0.816 18485 46 1 . 1 1 9 9 ASP H H 9 7.884 7.884 8.052 -0.168 18485 47 1 . 1 1 10 10 ASP N N 10 117.314 117.314 118.543 -1.229 18485 48 1 . 1 1 10 10 ASP HA H 10 4.324 4.324 4.517 -0.193 18485 49 1 . 1 1 10 10 ASP C C 10 179.340 179.340 178.446 0.894 18485 50 1 . 1 1 10 10 ASP CA C 10 57.186 57.186 57.045 0.141 18485 51 1 . 1 1 10 10 ASP CB C 10 39.913 39.913 40.886 -0.973 18485 52 1 . 1 1 10 10 ASP H H 10 8.856 8.856 8.313 0.543 18485 53 1 . 1 1 11 11 THR N N 11 119.032 119.032 117.186 1.846 18485 54 1 . 1 1 11 11 THR HA H 11 4.061 4.061 4.053 0.008 18485 55 1 . 1 1 11 11 THR C C 11 175.574 175.574 176.366 -0.792 18485 56 1 . 1 1 11 11 THR CA C 11 67.210 67.210 66.968 0.242 18485 57 1 . 1 1 11 11 THR CB C 11 68.319 68.319 68.841 -0.522 18485 58 1 . 1 1 11 11 THR H H 11 7.670 7.670 7.654 0.016 18485 59 1 . 1 1 12 12 ILE N N 12 122.228 122.228 121.092 1.136 18485 60 1 . 1 1 12 12 ILE HA H 12 3.639 3.639 3.700 -0.061 18485 61 1 . 1 1 12 12 ILE C C 12 177.455 177.455 177.526 -0.071 18485 62 1 . 1 1 12 12 ILE CA C 12 64.909 64.909 64.955 -0.046 18485 63 1 . 1 1 12 12 ILE CB C 12 37.578 37.578 37.459 0.119 18485 64 1 . 1 1 12 12 ILE H H 12 8.303 8.303 8.397 -0.094 18485 65 1 . 1 1 13 13 LYS N N 13 114.462 114.462 117.137 -2.675 18485 66 1 . 1 1 13 13 LYS HA H 13 4.134 4.134 4.213 -0.079 18485 67 1 . 1 1 13 13 LYS C C 13 177.547 177.547 177.711 -0.164 18485 68 1 . 1 1 13 13 LYS CA C 13 58.400 58.400 58.165 0.235 18485 69 1 . 1 1 13 13 LYS CB C 13 33.006 33.006 32.620 0.385 18485 70 1 . 1 1 13 13 LYS H H 13 7.709 7.709 7.657 0.052 18485 71 1 . 1 1 14 14 SER N N 14 112.642 112.642 113.404 -0.762 18485 72 1 . 1 1 14 14 SER HA H 14 4.551 4.551 4.489 0.062 18485 73 1 . 1 1 14 14 SER C C 14 174.532 174.532 174.809 -0.277 18485 74 1 . 1 1 14 14 SER CA C 14 59.744 59.744 59.549 0.195 18485 75 1 . 1 1 14 14 SER CB C 14 65.009 65.009 64.426 0.583 18485 76 1 . 1 1 14 14 SER H H 14 7.749 7.749 7.729 0.020 18485 77 1 . 1 1 15 15 GLU N N 15 121.266 121.266 121.126 0.140 18485 78 1 . 1 1 15 15 GLU HA H 15 4.564 4.564 4.390 0.174 18485 79 1 . 1 1 15 15 GLU C C 15 176.789 176.789 176.304 0.485 18485 80 1 . 1 1 15 15 GLU CA C 15 54.445 54.445 55.756 -1.311 18485 81 1 . 1 1 15 15 GLU CB C 15 30.326 30.326 30.837 -0.511 18485 82 1 . 1 1 15 15 GLU H H 15 8.101 8.101 7.968 0.133 18485 83 1 . 1 1 16 16 ASP N N 16 122.253 122.253 120.232 2.021 18485 84 1 . 1 1 16 16 ASP HA H 16 4.340 4.340 4.760 -0.420 18485 85 1 . 1 1 16 16 ASP C C 16 176.469 176.469 175.683 0.786 18485 86 1 . 1 1 16 16 ASP CA C 16 58.759 58.759 56.331 2.428 18485 87 1 . 1 1 16 16 ASP CB C 16 40.818 40.818 42.201 -1.383 18485 88 1 . 1 1 16 16 ASP H H 16 8.685 8.685 8.830 -0.145 18485 89 1 . 1 1 17 17 VAL N N 17 118.536 118.536 118.341 0.195 18485 90 1 . 1 1 17 17 VAL HA H 17 4.915 4.915 4.907 0.008 18485 91 1 . 1 1 17 17 VAL C C 17 174.452 174.452 174.090 0.362 18485 92 1 . 1 1 17 17 VAL CA C 17 61.903 61.903 61.168 0.735 18485 93 1 . 1 1 17 17 VAL CB C 17 34.377 34.377 34.764 -0.387 18485 94 1 . 1 1 17 17 VAL H H 17 8.547 8.547 7.778 0.769 18485 95 1 . 1 1 18 18 VAL N N 18 125.917 125.917 127.190 -1.273 18485 96 1 . 1 1 18 18 VAL HA H 18 5.255 5.255 5.217 0.038 18485 97 1 . 1 1 18 18 VAL C C 18 174.158 174.158 174.513 -0.355 18485 98 1 . 1 1 18 18 VAL CA C 18 60.102 60.102 60.533 -0.431 18485 99 1 . 1 1 18 18 VAL CB C 18 36.055 36.055 36.020 0.035 18485 100 1 . 1 1 18 18 VAL H H 18 8.755 8.755 9.079 -0.324 18485 101 1 . 1 1 19 19 THR N N 19 120.107 120.107 118.924 1.183 18485 102 1 . 1 1 19 19 THR HA H 19 5.795 5.795 5.286 0.509 18485 103 1 . 1 1 19 19 THR C C 19 171.126 171.126 172.761 -1.635 18485 104 1 . 1 1 19 19 THR CA C 19 58.118 58.118 60.027 -1.909 18485 105 1 . 1 1 19 19 THR CB C 19 72.547 72.547 71.607 0.940 18485 106 1 . 1 1 19 19 THR H H 19 8.938 8.938 8.669 0.269 18485 107 1 . 1 1 20 20 PHE N N 20 125.287 125.287 125.561 -0.274 18485 108 1 . 1 1 20 20 PHE HA H 20 5.504 5.504 5.509 -0.005 18485 109 1 . 1 1 20 20 PHE C C 20 175.200 175.200 175.122 0.078 18485 110 1 . 1 1 20 20 PHE CA C 20 56.498 56.498 56.929 -0.431 18485 111 1 . 1 1 20 20 PHE CB C 20 41.661 41.661 41.093 0.568 18485 112 1 . 1 1 20 20 PHE H H 20 8.230 8.230 8.716 -0.486 18485 113 1 . 1 1 21 21 ILE N N 21 114.660 114.660 117.008 -2.348 18485 114 1 . 1 1 21 21 ILE HA H 21 4.812 4.812 4.882 -0.070 18485 115 1 . 1 1 21 21 ILE C C 21 173.918 173.918 174.256 -0.338 18485 116 1 . 1 1 21 21 ILE CA C 21 59.363 59.363 59.103 0.260 18485 117 1 . 1 1 21 21 ILE CB C 21 43.820 43.820 42.542 1.278 18485 118 1 . 1 1 21 21 ILE H H 21 9.042 9.042 9.367 -0.325 18485 119 1 . 1 1 22 22 LYS N N 22 117.197 117.197 123.217 -6.020 18485 120 1 . 1 1 22 22 LYS HA H 22 4.603 4.603 4.603 -0.000 18485 121 1 . 1 1 22 22 LYS C C 22 175.935 175.935 175.885 0.050 18485 122 1 . 1 1 22 22 LYS CA C 22 56.698 56.698 55.682 1.016 18485 123 1 . 1 1 22 22 LYS CB C 22 33.193 33.193 31.676 1.518 18485 124 1 . 1 1 22 22 LYS H H 22 8.581 8.581 8.580 0.001 18485 125 1 . 1 1 23 23 GLY N N 23 117.108 117.108 108.515 8.593 18485 126 1 . 1 1 23 23 GLY C C 23 170.793 170.793 172.499 -1.706 18485 127 1 . 1 1 23 23 GLY CA C 23 44.637 44.637 44.760 -0.123 18485 128 1 . 1 1 23 23 GLY H H 23 9.178 9.178 7.816 1.362 18485 129 1 . 1 1 24 24 LEU N N 24 117.859 117.859 121.129 -3.270 18485 130 1 . 1 1 24 24 LEU HA H 24 4.860 4.860 4.611 0.249 18485 131 1 . 1 1 24 24 LEU C C 24 176.709 176.709 176.163 0.546 18485 132 1 . 1 1 24 24 LEU CA C 24 51.950 51.950 53.209 -1.259 18485 133 1 . 1 1 24 24 LEU CB C 24 43.008 43.008 41.489 1.519 18485 134 1 . 1 1 24 24 LEU H H 24 7.162 7.162 8.095 -0.933 18485 135 1 . 1 1 25 25 PRO HA H 25 3.953 3.953 4.479 -0.526 18485 136 1 . 1 1 25 25 PRO C C 25 177.190 177.190 177.414 -0.224 18485 137 1 . 1 1 25 25 PRO CA C 25 66.322 66.322 64.871 1.451 18485 138 1 . 1 1 25 25 PRO CB C 25 31.724 31.724 32.269 -0.545 18485 139 1 . 1 1 26 26 GLU N N 26 111.260 111.260 117.165 -5.905 18485 140 1 . 1 1 26 26 GLU HA H 26 4.205 4.205 4.229 -0.024 18485 141 1 . 1 1 26 26 GLU C C 26 176.429 176.429 176.513 -0.084 18485 142 1 . 1 1 26 26 GLU CA C 26 56.743 56.743 57.381 -0.638 18485 143 1 . 1 1 26 26 GLU CB C 26 28.698 28.698 29.419 -0.721 18485 144 1 . 1 1 26 26 GLU H H 26 8.807 8.807 8.338 0.469 18485 145 1 . 1 1 27 27 ALA N N 27 122.547 122.547 123.236 -0.689 18485 146 1 . 1 1 27 27 ALA HA H 27 4.587 4.587 4.626 -0.039 18485 147 1 . 1 1 27 27 ALA C C 27 172.342 172.342 174.957 -2.615 18485 148 1 . 1 1 27 27 ALA CA C 27 50.884 50.884 50.029 0.855 18485 149 1 . 1 1 27 27 ALA CB C 27 18.695 18.695 18.819 -0.125 18485 150 1 . 1 1 27 27 ALA H H 27 7.856 7.856 7.701 0.155 18485 151 1 . 1 1 28 28 PRO HA H 28 4.642 4.642 4.561 0.081 18485 152 1 . 1 1 28 28 PRO C C 28 178.512 178.512 176.383 2.129 18485 153 1 . 1 1 28 28 PRO CA C 28 63.106 63.106 62.784 0.322 18485 154 1 . 1 1 28 28 PRO CB C 28 32.065 32.065 32.678 -0.613 18485 155 1 . 1 1 29 29 MET N N 29 119.426 119.426 119.360 0.066 18485 156 1 . 1 1 29 29 MET HA H 29 4.758 4.758 4.543 0.215 18485 157 1 . 1 1 29 29 MET C C 29 175.374 175.374 176.115 -0.741 18485 158 1 . 1 1 29 29 MET CA C 29 54.594 54.594 56.432 -1.838 18485 159 1 . 1 1 29 29 MET CB C 29 33.036 33.036 33.003 0.033 18485 160 1 . 1 1 29 29 MET H H 29 8.828 8.828 8.701 0.127 18485 161 1 . 1 1 30 30 CYS N N 30 116.089 116.089 117.904 -1.815 18485 162 1 . 1 1 30 30 CYS HA H 30 4.852 4.852 4.640 0.212 18485 163 1 . 1 1 30 30 CYS C C 30 176.028 176.028 174.551 1.477 18485 164 1 . 1 1 30 30 CYS CA C 30 58.725 58.725 57.825 0.900 18485 165 1 . 1 1 30 30 CYS CB C 30 33.259 33.259 31.316 1.943 18485 166 1 . 1 1 30 30 CYS H H 30 7.455 7.455 7.575 -0.120 18485 167 1 . 1 1 31 31 ALA HA H 31 4.080 4.080 4.010 0.070 18485 168 1 . 1 1 31 31 ALA C C 31 180.222 180.222 178.524 1.698 18485 169 1 . 1 1 31 31 ALA CA C 31 54.694 54.694 54.881 -0.187 18485 170 1 . 1 1 31 31 ALA CB C 31 18.681 18.681 18.390 0.291 18485 171 1 . 1 1 32 32 TYR N N 32 121.972 121.972 117.021 4.951 18485 172 1 . 1 1 32 32 TYR HA H 32 4.333 4.333 4.248 0.085 18485 173 1 . 1 1 32 32 TYR C C 32 178.673 178.673 178.210 0.463 18485 174 1 . 1 1 32 32 TYR CA C 32 59.929 59.929 60.984 -1.055 18485 175 1 . 1 1 32 32 TYR CB C 32 37.037 37.037 37.541 -0.504 18485 176 1 . 1 1 32 32 TYR H H 32 8.846 8.846 8.186 0.660 18485 177 1 . 1 1 33 33 SER N N 33 125.375 125.375 115.480 9.895 18485 178 1 . 1 1 33 33 SER HA H 33 4.013 4.013 4.189 -0.176 18485 179 1 . 1 1 33 33 SER C C 33 174.906 174.906 176.252 -1.346 18485 180 1 . 1 1 33 33 SER CA C 33 64.417 64.417 62.294 2.123 18485 181 1 . 1 1 33 33 SER CB C 33 62.687 62.687 62.576 0.111 18485 182 1 . 1 1 33 33 SER H H 33 10.272 10.272 7.950 2.322 18485 183 1 . 1 1 34 34 LYS N N 34 121.216 121.216 122.633 -1.417 18485 184 1 . 1 1 34 34 LYS HA H 34 3.853 3.853 3.995 -0.142 18485 185 1 . 1 1 34 34 LYS C C 34 177.083 177.083 178.756 -1.673 18485 186 1 . 1 1 34 34 LYS CA C 34 59.663 59.663 59.019 0.644 18485 187 1 . 1 1 34 34 LYS CB C 34 32.150 32.150 32.282 -0.132 18485 188 1 . 1 1 34 34 LYS H H 34 8.024 8.024 7.963 0.061 18485 189 1 . 1 1 35 35 ARG N N 35 117.269 117.269 119.145 -1.876 18485 190 1 . 1 1 35 35 ARG HA H 35 4.149 4.149 4.097 0.052 18485 191 1 . 1 1 35 35 ARG C C 35 178.058 178.058 178.931 -0.873 18485 192 1 . 1 1 35 35 ARG CA C 35 58.976 58.976 58.324 0.652 18485 193 1 . 1 1 35 35 ARG CB C 35 29.712 29.712 29.739 -0.027 18485 194 1 . 1 1 35 35 ARG H H 35 7.559 7.559 8.162 -0.603 18485 195 1 . 1 1 36 36 MET N N 36 117.954 117.954 119.759 -1.805 18485 196 1 . 1 1 36 36 MET HA H 36 4.068 4.068 4.158 -0.090 18485 197 1 . 1 1 36 36 MET C C 36 176.963 176.963 177.904 -0.941 18485 198 1 . 1 1 36 36 MET CA C 36 58.195 58.195 58.253 -0.058 18485 199 1 . 1 1 36 36 MET CB C 36 31.742 31.742 32.376 -0.634 18485 200 1 . 1 1 36 36 MET H H 36 8.027 8.027 8.150 -0.123 18485 201 1 . 1 1 37 37 ILE N N 37 118.650 118.650 118.967 -0.317 18485 202 1 . 1 1 37 37 ILE HA H 37 3.520 3.520 3.492 0.028 18485 203 1 . 1 1 37 37 ILE C C 37 177.631 177.631 178.016 -0.385 18485 204 1 . 1 1 37 37 ILE CA C 37 61.873 61.873 63.785 -1.912 18485 205 1 . 1 1 37 37 ILE CB C 37 35.172 35.172 36.356 -1.184 18485 206 1 . 1 1 37 37 ILE H H 37 7.825 7.825 7.766 0.059 18485 207 1 . 1 1 38 38 ASP N N 38 119.229 119.229 120.143 -0.914 18485 208 1 . 1 1 38 38 ASP HA H 38 4.330 4.330 4.359 -0.029 18485 209 1 . 1 1 38 38 ASP C C 38 180.208 180.208 178.649 1.559 18485 210 1 . 1 1 38 38 ASP CA C 38 57.530 57.530 57.662 -0.132 18485 211 1 . 1 1 38 38 ASP CB C 38 39.970 39.970 40.788 -0.818 18485 212 1 . 1 1 38 38 ASP H H 38 8.629 8.629 8.265 0.364 18485 213 1 . 1 1 39 39 VAL N N 39 121.475 121.475 119.873 1.602 18485 214 1 . 1 1 39 39 VAL HA H 39 3.575 3.575 3.686 -0.111 18485 215 1 . 1 1 39 39 VAL C C 39 177.056 177.056 177.919 -0.863 18485 216 1 . 1 1 39 39 VAL CA C 39 66.810 66.810 66.112 0.698 18485 217 1 . 1 1 39 39 VAL CB C 39 31.495 31.495 31.684 -0.189 18485 218 1 . 1 1 39 39 VAL H H 39 7.879 7.879 7.488 0.391 18485 219 1 . 1 1 40 40 LEU N N 40 118.145 118.145 119.123 -0.978 18485 220 1 . 1 1 40 40 LEU HA H 40 3.774 3.774 3.924 -0.150 18485 221 1 . 1 1 40 40 LEU C C 40 179.794 179.794 178.957 0.837 18485 222 1 . 1 1 40 40 LEU CA C 40 58.164 58.164 57.954 0.210 18485 223 1 . 1 1 40 40 LEU CB C 40 40.597 40.597 41.115 -0.518 18485 224 1 . 1 1 40 40 LEU H H 40 7.574 7.574 7.387 0.187 18485 225 1 . 1 1 41 41 GLU N N 41 116.305 116.305 119.007 -2.702 18485 226 1 . 1 1 41 41 GLU HA H 41 4.297 4.297 4.204 0.093 18485 227 1 . 1 1 41 41 GLU C C 41 181.117 181.117 179.294 1.823 18485 228 1 . 1 1 41 41 GLU CA C 41 58.552 58.552 58.979 -0.427 18485 229 1 . 1 1 41 41 GLU CB C 41 29.121 29.121 29.666 -0.545 18485 230 1 . 1 1 41 41 GLU H H 41 8.871 8.871 8.644 0.227 18485 231 1 . 1 1 42 42 ALA N N 42 124.797 124.797 121.756 3.041 18485 232 1 . 1 1 42 42 ALA HA H 42 4.165 4.165 4.190 -0.025 18485 233 1 . 1 1 42 42 ALA C C 42 180.275 180.275 178.860 1.415 18485 234 1 . 1 1 42 42 ALA CA C 42 54.980 54.980 54.373 0.607 18485 235 1 . 1 1 42 42 ALA CB C 42 17.659 17.659 18.735 -1.076 18485 236 1 . 1 1 42 42 ALA H H 42 8.285 8.285 8.200 0.085 18485 237 1 . 1 1 43 43 LEU N N 43 115.767 115.767 115.507 0.260 18485 238 1 . 1 1 43 43 LEU HA H 43 4.249 4.249 4.394 -0.145 18485 239 1 . 1 1 43 43 LEU C C 43 177.177 177.177 176.888 0.289 18485 240 1 . 1 1 43 43 LEU CA C 43 55.406 55.406 54.379 1.027 18485 241 1 . 1 1 43 43 LEU CB C 43 43.483 43.483 42.277 1.206 18485 242 1 . 1 1 43 43 LEU H H 43 7.528 7.528 7.624 -0.096 18485 243 1 . 1 1 44 44 GLY N N 44 108.593 108.593 107.123 1.470 18485 244 1 . 1 1 44 44 GLY C C 44 175.011 175.011 174.619 0.392 18485 245 1 . 1 1 44 44 GLY CA C 44 46.341 46.341 45.388 0.953 18485 246 1 . 1 1 44 44 GLY H H 44 7.927 7.927 7.528 0.399 18485 247 1 . 1 1 45 45 LEU N N 45 117.269 117.269 118.051 -0.782 18485 248 1 . 1 1 45 45 LEU HA H 45 4.452 4.452 4.795 -0.343 18485 249 1 . 1 1 45 45 LEU C C 45 176.976 176.976 176.907 0.069 18485 250 1 . 1 1 45 45 LEU CA C 45 54.400 54.400 53.771 0.629 18485 251 1 . 1 1 45 45 LEU CB C 45 42.716 42.716 42.982 -0.266 18485 252 1 . 1 1 45 45 LEU H H 45 7.482 7.482 7.919 -0.437 18485 253 1 . 1 1 46 46 GLU N N 46 121.177 121.177 121.579 -0.402 18485 254 1 . 1 1 46 46 GLU HA H 46 4.463 4.463 4.389 0.074 18485 255 1 . 1 1 46 46 GLU C C 46 176.135 176.135 175.107 1.028 18485 256 1 . 1 1 46 46 GLU CA C 46 55.524 55.524 55.586 -0.062 18485 257 1 . 1 1 46 46 GLU CB C 46 30.233 30.233 30.696 -0.463 18485 258 1 . 1 1 46 46 GLU H H 46 8.250 8.250 8.716 -0.466 18485 259 1 . 1 1 47 47 TYR N N 47 119.617 119.617 119.830 -0.213 18485 260 1 . 1 1 47 47 TYR HA H 47 5.298 5.298 5.260 0.038 18485 261 1 . 1 1 47 47 TYR C C 47 173.798 173.798 174.706 -0.909 18485 262 1 . 1 1 47 47 TYR CA C 47 55.824 55.824 55.429 0.396 18485 263 1 . 1 1 47 47 TYR CB C 47 41.071 41.071 40.199 0.872 18485 264 1 . 1 1 47 47 TYR H H 47 7.874 7.874 7.786 0.088 18485 265 1 . 1 1 48 48 THR N N 48 117.577 117.577 117.930 -0.353 18485 266 1 . 1 1 48 48 THR HA H 48 4.266 4.266 4.483 -0.217 18485 267 1 . 1 1 48 48 THR C C 48 171.941 171.941 173.079 -1.138 18485 268 1 . 1 1 48 48 THR CA C 48 62.299 62.299 61.670 0.629 18485 269 1 . 1 1 48 48 THR CB C 48 70.899 70.899 70.731 0.168 18485 270 1 . 1 1 48 48 THR H H 48 8.549 8.549 8.481 0.068 18485 271 1 . 1 1 49 49 SER N N 49 121.488 121.488 120.956 0.532 18485 272 1 . 1 1 49 49 SER HA H 49 5.516 5.516 5.020 0.496 18485 273 1 . 1 1 49 49 SER C C 49 173.691 173.691 173.297 0.394 18485 274 1 . 1 1 49 49 SER CA C 49 55.758 55.758 56.910 -1.152 18485 275 1 . 1 1 49 49 SER CB C 49 66.386 66.386 64.467 1.919 18485 276 1 . 1 1 49 49 SER H H 49 8.536 8.536 8.455 0.081 18485 277 1 . 1 1 50 50 PHE N N 50 124.791 124.791 124.530 0.261 18485 278 1 . 1 1 50 50 PHE HA H 50 4.715 4.715 4.633 0.082 18485 279 1 . 1 1 50 50 PHE C C 50 173.608 173.608 174.170 -0.562 18485 280 1 . 1 1 50 50 PHE CA C 50 57.339 57.339 57.043 0.296 18485 281 1 . 1 1 50 50 PHE CB C 50 43.529 43.529 42.143 1.386 18485 282 1 . 1 1 50 50 PHE H H 50 8.627 8.627 8.932 -0.305 18485 283 1 . 1 1 51 51 ASP N N 51 120.606 120.606 123.617 -3.011 18485 284 1 . 1 1 51 51 ASP HA H 51 5.370 5.370 5.422 -0.052 18485 285 1 . 1 1 51 51 ASP C C 51 178.779 178.779 177.817 0.962 18485 286 1 . 1 1 51 51 ASP CA C 51 52.234 52.234 52.335 -0.101 18485 287 1 . 1 1 51 51 ASP CB C 51 42.175 42.175 41.626 0.549 18485 288 1 . 1 1 51 51 ASP H H 51 8.415 8.415 8.735 -0.320 18485 289 1 . 1 1 52 52 VAL N N 52 119.623 119.623 119.870 -0.247 18485 290 1 . 1 1 52 52 VAL HA H 52 4.106 4.106 4.076 0.030 18485 291 1 . 1 1 52 52 VAL C C 52 176.682 176.682 176.441 0.241 18485 292 1 . 1 1 52 52 VAL CA C 52 63.327 63.327 64.458 -1.131 18485 293 1 . 1 1 52 52 VAL CB C 52 31.774 31.774 31.865 -0.091 18485 294 1 . 1 1 52 52 VAL H H 52 9.307 9.307 8.392 0.915 18485 295 1 . 1 1 53 53 LEU N N 53 118.392 118.392 119.226 -0.834 18485 296 1 . 1 1 53 53 LEU HA H 53 4.258 4.258 4.340 -0.082 18485 297 1 . 1 1 53 53 LEU C C 53 179.153 179.153 177.790 1.363 18485 298 1 . 1 1 53 53 LEU CA C 53 55.763 55.763 56.021 -0.258 18485 299 1 . 1 1 53 53 LEU CB C 53 41.035 41.035 41.536 -0.501 18485 300 1 . 1 1 53 53 LEU H H 53 9.008 9.008 8.301 0.707 18485 301 1 . 1 1 54 54 ALA N N 54 119.577 119.577 120.289 -0.712 18485 302 1 . 1 1 54 54 ALA HA H 54 4.240 4.240 4.361 -0.121 18485 303 1 . 1 1 54 54 ALA C C 54 177.657 177.657 177.126 0.531 18485 304 1 . 1 1 54 54 ALA CA C 54 53.388 53.388 52.789 0.599 18485 305 1 . 1 1 54 54 ALA CB C 54 20.119 20.119 20.399 -0.280 18485 306 1 . 1 1 54 54 ALA H H 54 7.304 7.304 7.623 -0.319 18485 307 1 . 1 1 55 55 HIS N N 55 114.383 114.383 117.012 -2.629 18485 308 1 . 1 1 55 55 HIS HA H 55 5.124 5.124 4.852 0.272 18485 309 1 . 1 1 55 55 HIS C C 55 174.238 174.238 173.139 1.099 18485 310 1 . 1 1 55 55 HIS CA C 55 54.094 54.094 54.695 -0.601 18485 311 1 . 1 1 55 55 HIS CB C 55 33.789 33.789 32.414 1.375 18485 312 1 . 1 1 55 55 HIS H H 55 6.894 6.894 7.801 -0.907 18485 313 1 . 1 1 56 56 PRO HA H 56 4.326 4.326 4.280 0.046 18485 314 1 . 1 1 56 56 PRO CA C 56 65.262 65.262 65.313 -0.051 18485 315 1 . 1 1 56 56 PRO CB C 56 32.041 32.041 32.391 -0.350 18485 316 1 . 1 1 57 57 VAL HA H 57 3.987 3.987 3.716 0.271 18485 317 1 . 1 1 57 57 VAL C C 57 177.804 177.804 178.137 -0.333 18485 318 1 . 1 1 57 57 VAL CA C 57 65.327 65.327 66.319 -0.992 18485 319 1 . 1 1 57 57 VAL CB C 57 31.221 31.221 31.589 -0.368 18485 320 1 . 1 1 57 57 VAL H H 57 9.778 9.778 7.854 1.924 18485 321 1 . 1 1 58 58 VAL N N 58 120.641 120.641 119.059 1.582 18485 322 1 . 1 1 58 58 VAL HA H 58 3.532 3.532 3.715 -0.183 18485 323 1 . 1 1 58 58 VAL C C 58 177.270 177.270 177.637 -0.367 18485 324 1 . 1 1 58 58 VAL CA C 58 65.910 65.910 66.714 -0.804 18485 325 1 . 1 1 58 58 VAL CB C 58 31.422 31.422 31.468 -0.046 18485 326 1 . 1 1 58 58 VAL H H 58 7.540 7.540 7.887 -0.347 18485 327 1 . 1 1 59 59 ARG N N 59 118.263 118.263 118.988 -0.725 18485 328 1 . 1 1 59 59 ARG HA H 59 3.914 3.914 4.105 -0.191 18485 329 1 . 1 1 59 59 ARG C C 59 178.579 178.579 178.534 0.045 18485 330 1 . 1 1 59 59 ARG CA C 59 59.979 59.979 59.291 0.688 18485 331 1 . 1 1 59 59 ARG CB C 59 29.952 29.952 29.542 0.411 18485 332 1 . 1 1 59 59 ARG H H 59 7.536 7.536 7.667 -0.131 18485 333 1 . 1 1 60 60 SER N N 60 113.091 113.091 116.574 -3.483 18485 334 1 . 1 1 60 60 SER HA H 60 4.161 4.161 4.181 -0.020 18485 335 1 . 1 1 60 60 SER C C 60 175.761 175.761 176.178 -0.417 18485 336 1 . 1 1 60 60 SER CA C 60 61.435 61.435 61.676 -0.240 18485 337 1 . 1 1 60 60 SER CB C 60 62.721 62.721 63.155 -0.434 18485 338 1 . 1 1 60 60 SER H H 60 8.204 8.204 8.452 -0.248 18485 339 1 . 1 1 61 61 TYR N N 61 123.436 123.436 123.092 0.344 18485 340 1 . 1 1 61 61 TYR HA H 61 3.882 3.882 4.078 -0.196 18485 341 1 . 1 1 61 61 TYR C C 61 177.731 177.731 177.214 0.517 18485 342 1 . 1 1 61 61 TYR CA C 61 62.028 62.028 61.930 0.098 18485 343 1 . 1 1 61 61 TYR CB C 61 39.155 39.155 38.385 0.770 18485 344 1 . 1 1 61 61 TYR H H 61 8.024 8.024 8.041 -0.017 18485 345 1 . 1 1 62 62 VAL N N 62 115.253 115.253 116.912 -1.659 18485 346 1 . 1 1 62 62 VAL HA H 62 3.529 3.529 3.483 0.046 18485 347 1 . 1 1 62 62 VAL C C 62 176.990 176.990 177.741 -0.751 18485 348 1 . 1 1 62 62 VAL CA C 62 65.224 65.224 65.800 -0.576 18485 349 1 . 1 1 62 62 VAL CB C 62 31.436 31.436 31.021 0.415 18485 350 1 . 1 1 62 62 VAL H H 62 7.754 7.754 7.614 0.140 18485 351 1 . 1 1 63 63 LYS N N 63 117.543 117.543 119.369 -1.826 18485 352 1 . 1 1 63 63 LYS HA H 63 4.029 4.029 4.029 0.000 18485 353 1 . 1 1 63 63 LYS C C 63 177.549 177.549 179.043 -1.494 18485 354 1 . 1 1 63 63 LYS CA C 63 58.327 58.327 58.855 -0.528 18485 355 1 . 1 1 63 63 LYS CB C 63 32.761 32.761 32.263 0.498 18485 356 1 . 1 1 63 63 LYS H H 63 7.367 7.367 7.672 -0.305 18485 357 1 . 1 1 64 64 GLU N N 64 116.093 116.093 116.259 -0.166 18485 358 1 . 1 1 64 64 GLU HA H 64 4.114 4.114 4.241 -0.127 18485 359 1 . 1 1 64 64 GLU C C 64 177.547 177.547 177.808 -0.262 18485 360 1 . 1 1 64 64 GLU CA C 64 57.505 57.505 58.125 -0.620 18485 361 1 . 1 1 64 64 GLU CB C 64 30.377 30.377 30.810 -0.433 18485 362 1 . 1 1 64 64 GLU H H 64 7.701 7.701 7.998 -0.297 18485 363 1 . 1 1 65 65 VAL N N 65 116.739 116.739 117.586 -0.847 18485 364 1 . 1 1 65 65 VAL HA H 65 3.835 3.835 3.985 -0.150 18485 365 1 . 1 1 65 65 VAL C C 65 176.335 176.335 176.758 -0.423 18485 366 1 . 1 1 65 65 VAL CA C 65 63.496 63.496 63.497 -0.001 18485 367 1 . 1 1 65 65 VAL CB C 65 32.243 32.243 32.652 -0.409 18485 368 1 . 1 1 65 65 VAL H H 65 7.608 7.608 7.890 -0.282 18485 369 1 . 1 1 66 66 SER N N 66 114.353 114.353 115.335 -0.982 18485 370 1 . 1 1 66 66 SER HA H 66 4.230 4.230 4.353 -0.123 18485 371 1 . 1 1 66 66 SER C C 66 174.345 174.345 174.850 -0.505 18485 372 1 . 1 1 66 66 SER CA C 66 58.038 58.038 59.016 -0.978 18485 373 1 . 1 1 66 66 SER CB C 66 63.898 63.898 63.404 0.494 18485 374 1 . 1 1 66 66 SER H H 66 7.526 7.526 7.715 -0.189 18485 375 1 . 1 1 67 67 GLU N N 67 121.681 121.681 117.201 4.480 18485 376 1 . 1 1 67 67 GLU HA H 67 3.865 3.865 4.016 -0.151 18485 377 1 . 1 1 67 67 GLU C C 67 175.748 175.748 175.551 0.197 18485 378 1 . 1 1 67 67 GLU CA C 67 57.845 57.845 57.315 0.530 18485 379 1 . 1 1 67 67 GLU CB C 67 29.380 29.380 28.173 1.207 18485 380 1 . 1 1 67 67 GLU H H 67 7.966 7.966 7.961 0.005 18485 381 1 . 1 1 68 68 TRP N N 68 119.264 119.264 121.129 -1.865 18485 382 1 . 1 1 68 68 TRP HA H 68 4.935 4.935 4.705 0.230 18485 383 1 . 1 1 68 68 TRP CA C 68 53.856 53.856 54.858 -1.002 18485 384 1 . 1 1 68 68 TRP CB C 68 30.717 30.717 30.257 0.460 18485 385 1 . 1 1 68 68 TRP H H 68 7.633 7.633 7.484 0.149 18485 386 1 . 1 1 69 69 PRO HA H 69 4.442 4.442 4.318 0.124 18485 387 1 . 1 1 69 69 PRO C C 69 176.375 176.375 176.188 0.187 18485 388 1 . 1 1 69 69 PRO CA C 69 63.567 63.567 63.804 -0.237 18485 389 1 . 1 1 69 69 PRO CB C 69 31.513 31.513 31.786 -0.273 18485 390 1 . 1 1 70 70 THR N N 70 114.312 114.312 115.738 -1.426 18485 391 1 . 1 1 70 70 THR HA H 70 4.344 4.344 4.293 0.051 18485 392 1 . 1 1 70 70 THR C C 70 172.275 172.275 173.948 -1.673 18485 393 1 . 1 1 70 70 THR CA C 70 61.465 61.465 62.876 -1.411 18485 394 1 . 1 1 70 70 THR CB C 70 70.433 70.433 69.722 0.711 18485 395 1 . 1 1 70 70 THR H H 70 7.162 7.162 7.502 -0.340 18485 396 1 . 1 1 71 71 ILE N N 71 123.770 123.770 124.228 -0.458 18485 397 1 . 1 1 71 71 ILE HA H 71 4.502 4.502 4.548 -0.046 18485 398 1 . 1 1 71 71 ILE C C 71 175.106 175.106 174.858 0.247 18485 399 1 . 1 1 71 71 ILE CA C 71 55.755 55.755 57.262 -1.507 18485 400 1 . 1 1 71 71 ILE CB C 71 40.077 40.077 39.218 0.859 18485 401 1 . 1 1 71 71 ILE H H 71 8.398 8.398 8.303 0.095 18485 402 1 . 1 1 72 72 PRO HA H 72 5.558 5.558 4.984 0.574 18485 403 1 . 1 1 72 72 PRO C C 72 175.507 175.507 175.704 -0.198 18485 404 1 . 1 1 72 72 PRO CA C 72 62.438 62.438 62.519 -0.081 18485 405 1 . 1 1 72 72 PRO CB C 72 37.656 37.656 33.187 4.469 18485 406 1 . 1 1 73 73 GLN N N 73 112.013 112.013 116.288 -4.275 18485 407 1 . 1 1 73 73 GLN HA H 73 5.092 5.092 5.326 -0.234 18485 408 1 . 1 1 73 73 GLN C C 73 174.559 174.559 174.587 -0.028 18485 409 1 . 1 1 73 73 GLN CA C 73 55.529 55.529 54.765 0.764 18485 410 1 . 1 1 73 73 GLN CB C 73 34.440 34.440 33.573 0.867 18485 411 1 . 1 1 73 73 GLN H H 73 8.521 8.521 8.587 -0.066 18485 412 1 . 1 1 74 74 LEU N N 74 124.684 124.684 121.887 2.797 18485 413 1 . 1 1 74 74 LEU HA H 74 5.332 5.332 5.312 0.020 18485 414 1 . 1 1 74 74 LEU C C 74 172.761 172.761 174.581 -1.820 18485 415 1 . 1 1 74 74 LEU CA C 74 54.555 54.555 53.802 0.753 18485 416 1 . 1 1 74 74 LEU CB C 74 47.043 47.043 46.226 0.817 18485 417 1 . 1 1 74 74 LEU H H 74 8.266 8.266 8.784 -0.518 18485 418 1 . 1 1 75 75 PHE N N 75 126.827 126.827 123.482 3.345 18485 419 1 . 1 1 75 75 PHE HA H 75 5.243 5.243 5.481 -0.237 18485 420 1 . 1 1 75 75 PHE C C 75 174.813 174.813 174.748 0.065 18485 421 1 . 1 1 75 75 PHE CA C 75 57.068 57.068 56.556 0.512 18485 422 1 . 1 1 75 75 PHE CB C 75 42.649 42.649 43.515 -0.866 18485 423 1 . 1 1 75 75 PHE H H 75 9.692 9.692 9.340 0.352 18485 424 1 . 1 1 76 76 ILE N N 76 118.421 118.421 122.176 -3.755 18485 425 1 . 1 1 76 76 ILE HA H 76 5.103 5.103 4.979 0.125 18485 426 1 . 1 1 76 76 ILE C C 76 176.242 176.242 176.331 -0.089 18485 427 1 . 1 1 76 76 ILE CA C 76 59.193 59.193 59.194 -0.001 18485 428 1 . 1 1 76 76 ILE CB C 76 40.525 40.525 40.382 0.143 18485 429 1 . 1 1 76 76 ILE H H 76 8.612 8.612 9.178 -0.566 18485 430 1 . 1 1 77 77 LYS N N 77 129.856 129.856 126.333 3.523 18485 431 1 . 1 1 77 77 LYS HA H 77 4.192 4.192 3.932 0.260 18485 432 1 . 1 1 77 77 LYS C C 77 175.887 175.887 176.279 -0.392 18485 433 1 . 1 1 77 77 LYS CA C 77 56.601 56.601 57.286 -0.685 18485 434 1 . 1 1 77 77 LYS CB C 77 30.599 30.599 29.464 1.135 18485 435 1 . 1 1 77 77 LYS H H 77 10.357 10.357 9.198 1.159 18485 436 1 . 1 1 78 78 ALA N N 78 114.323 114.323 116.689 -2.366 18485 437 1 . 1 1 78 78 ALA HA H 78 3.838 3.838 4.136 -0.298 18485 438 1 . 1 1 78 78 ALA C C 78 175.949 175.949 176.522 -0.573 18485 439 1 . 1 1 78 78 ALA CA C 78 53.518 53.518 53.572 -0.054 18485 440 1 . 1 1 78 78 ALA CB C 78 18.235 18.235 18.190 0.045 18485 441 1 . 1 1 78 78 ALA H H 78 9.554 9.554 8.682 0.872 18485 442 1 . 1 1 79 79 GLU N N 79 120.498 120.498 118.538 1.960 18485 443 1 . 1 1 79 79 GLU HA H 79 4.764 4.764 4.794 -0.030 18485 444 1 . 1 1 79 79 GLU C C 79 175.200 175.200 174.979 0.221 18485 445 1 . 1 1 79 79 GLU CA C 79 54.771 54.771 54.278 0.493 18485 446 1 . 1 1 79 79 GLU CB C 79 32.002 32.002 32.753 -0.751 18485 447 1 . 1 1 79 79 GLU H H 79 8.219 8.219 7.833 0.386 18485 448 1 . 1 1 80 80 PHE N N 80 125.962 125.962 125.103 0.859 18485 449 1 . 1 1 80 80 PHE HA H 80 3.392 3.392 3.469 -0.077 18485 450 1 . 1 1 80 80 PHE C C 80 175.280 175.280 174.672 0.608 18485 451 1 . 1 1 80 80 PHE CA C 80 58.259 58.259 58.456 -0.197 18485 452 1 . 1 1 80 80 PHE CB C 80 38.548 38.548 39.034 -0.486 18485 453 1 . 1 1 80 80 PHE H H 80 8.935 8.935 8.729 0.206 18485 454 1 . 1 1 81 81 VAL N N 81 128.637 128.637 125.151 3.486 18485 455 1 . 1 1 81 81 VAL HA H 81 3.769 3.769 3.845 -0.076 18485 456 1 . 1 1 81 81 VAL C C 81 174.733 174.733 174.947 -0.214 18485 457 1 . 1 1 81 81 VAL CA C 81 63.039 63.039 62.113 0.926 18485 458 1 . 1 1 81 81 VAL CB C 81 32.638 32.638 33.412 -0.774 18485 459 1 . 1 1 81 81 VAL H H 81 8.288 8.288 8.069 0.219 18485 460 1 . 1 1 82 82 GLY N N 82 100.310 100.310 104.746 -4.436 18485 461 1 . 1 1 82 82 GLY C C 82 172.515 172.515 172.308 0.207 18485 462 1 . 1 1 82 82 GLY CA C 82 45.220 45.220 44.213 1.007 18485 463 1 . 1 1 82 82 GLY H H 82 5.816 5.816 6.437 -0.621 18485 464 1 . 1 1 83 83 GLY N N 83 104.342 104.342 106.075 -1.733 18485 465 1 . 1 1 83 83 GLY C C 83 173.758 173.758 174.863 -1.105 18485 466 1 . 1 1 83 83 GLY CA C 83 43.823 43.823 43.642 0.181 18485 467 1 . 1 1 83 83 GLY H H 83 7.401 7.401 8.205 -0.804 18485 468 1 . 1 1 84 84 LEU N N 84 118.350 118.350 121.549 -3.199 18485 469 1 . 1 1 84 84 LEU HA H 84 3.781 3.781 4.155 -0.374 18485 470 1 . 1 1 84 84 LEU C C 84 178.245 178.245 178.583 -0.338 18485 471 1 . 1 1 84 84 LEU CA C 84 58.254 58.254 57.798 0.456 18485 472 1 . 1 1 84 84 LEU CB C 84 42.602 42.602 41.673 0.929 18485 473 1 . 1 1 84 84 LEU H H 84 8.807 8.807 8.541 0.266 18485 474 1 . 1 1 85 85 ASP N N 85 118.373 118.373 118.040 0.333 18485 475 1 . 1 1 85 85 ASP HA H 85 4.266 4.266 4.400 -0.134 18485 476 1 . 1 1 85 85 ASP C C 85 178.296 178.296 178.298 -0.002 18485 477 1 . 1 1 85 85 ASP CA C 85 57.612 57.612 57.229 0.383 18485 478 1 . 1 1 85 85 ASP CB C 85 39.499 39.499 40.525 -1.026 18485 479 1 . 1 1 85 85 ASP H H 85 8.697 8.697 8.567 0.130 18485 480 1 . 1 1 86 86 ILE N N 86 120.495 120.495 119.132 1.363 18485 481 1 . 1 1 86 86 ILE HA H 86 3.846 3.846 3.927 -0.081 18485 482 1 . 1 1 86 86 ILE C C 86 177.657 177.657 178.049 -0.392 18485 483 1 . 1 1 86 86 ILE CA C 86 62.858 62.858 63.270 -0.412 18485 484 1 . 1 1 86 86 ILE CB C 86 37.513 37.513 37.263 0.250 18485 485 1 . 1 1 86 86 ILE H H 86 7.605 7.605 7.446 0.159 18485 486 1 . 1 1 87 87 VAL N N 87 120.596 120.596 117.578 3.018 18485 487 1 . 1 1 87 87 VAL HA H 87 3.307 3.307 3.682 -0.375 18485 488 1 . 1 1 87 87 VAL C C 87 177.629 177.629 177.733 -0.104 18485 489 1 . 1 1 87 87 VAL CA C 87 67.711 67.711 66.563 1.148 18485 490 1 . 1 1 87 87 VAL CB C 87 31.665 31.665 30.936 0.729 18485 491 1 . 1 1 87 87 VAL H H 87 7.934 7.934 7.967 -0.033 18485 492 1 . 1 1 88 88 THR N N 88 112.971 112.971 113.036 -0.065 18485 493 1 . 1 1 88 88 THR HA H 88 3.822 3.822 4.034 -0.212 18485 494 1 . 1 1 88 88 THR C C 88 176.896 176.896 176.582 0.314 18485 495 1 . 1 1 88 88 THR CA C 88 66.898 66.898 66.091 0.807 18485 496 1 . 1 1 88 88 THR CB C 88 68.370 68.370 68.490 -0.120 18485 497 1 . 1 1 88 88 THR H H 88 8.719 8.719 7.778 0.941 18485 498 1 . 1 1 89 89 LYS N N 89 123.633 123.633 122.744 0.888 18485 499 1 . 1 1 89 89 LYS HA H 89 4.149 4.149 4.101 0.048 18485 500 1 . 1 1 89 89 LYS C C 89 179.648 179.648 179.070 0.578 18485 501 1 . 1 1 89 89 LYS CA C 89 59.626 59.626 59.237 0.389 18485 502 1 . 1 1 89 89 LYS CB C 89 32.088 32.088 31.976 0.112 18485 503 1 . 1 1 89 89 LYS H H 89 7.568 7.568 7.921 -0.353 18485 504 1 . 1 1 90 90 MET N N 90 118.147 118.147 118.861 -0.714 18485 505 1 . 1 1 90 90 MET HA H 90 4.333 4.333 4.159 0.174 18485 506 1 . 1 1 90 90 MET C C 90 179.634 179.634 178.871 0.763 18485 507 1 . 1 1 90 90 MET CA C 90 58.590 58.590 59.113 -0.523 18485 508 1 . 1 1 90 90 MET CB C 90 34.033 34.033 32.551 1.482 18485 509 1 . 1 1 90 90 MET H H 90 8.520 8.520 8.329 0.191 18485 510 1 . 1 1 91 91 LEU N N 91 124.789 124.789 121.706 3.083 18485 511 1 . 1 1 91 91 LEU HA H 91 4.200 4.200 3.952 0.248 18485 512 1 . 1 1 91 91 LEU C C 91 179.696 179.696 178.959 0.737 18485 513 1 . 1 1 91 91 LEU CA C 91 58.081 58.081 57.879 0.202 18485 514 1 . 1 1 91 91 LEU CB C 91 41.861 41.861 41.828 0.033 18485 515 1 . 1 1 91 91 LEU H H 91 8.792 8.792 8.007 0.785 18485 516 1 . 1 1 92 92 GLU N N 92 118.965 118.965 119.082 -0.117 18485 517 1 . 1 1 92 92 GLU HA H 92 4.017 4.017 4.021 -0.004 18485 518 1 . 1 1 92 92 GLU C C 92 178.352 178.352 178.495 -0.143 18485 519 1 . 1 1 92 92 GLU CA C 92 59.078 59.078 59.029 0.049 18485 520 1 . 1 1 92 92 GLU CB C 92 29.691 29.691 29.649 0.042 18485 521 1 . 1 1 92 92 GLU H H 92 7.999 7.999 8.267 -0.268 18485 522 1 . 1 1 93 93 SER N N 93 111.381 111.381 112.262 -0.881 18485 523 1 . 1 1 93 93 SER HA H 93 4.406 4.406 4.405 0.001 18485 524 1 . 1 1 93 93 SER C C 93 175.948 175.948 175.346 0.602 18485 525 1 . 1 1 93 93 SER CA C 93 59.192 59.192 58.842 0.350 18485 526 1 . 1 1 93 93 SER CB C 93 64.227 64.227 63.715 0.512 18485 527 1 . 1 1 93 93 SER H H 93 8.270 8.270 8.005 0.265 18485 528 1 . 1 1 94 94 GLY N N 94 109.172 109.172 109.656 -0.484 18485 529 1 . 1 1 94 94 GLY C C 94 174.906 174.906 175.413 -0.507 18485 530 1 . 1 1 94 94 GLY CA C 94 45.383 45.383 46.188 -0.805 18485 531 1 . 1 1 94 94 GLY H H 94 7.406 7.406 7.856 -0.450 18485 532 1 . 1 1 95 95 ASP N N 95 122.640 122.640 122.182 0.458 18485 533 1 . 1 1 95 95 ASP HA H 95 4.479 4.479 4.427 0.052 18485 534 1 . 1 1 95 95 ASP C C 95 178.486 178.486 177.714 0.772 18485 535 1 . 1 1 95 95 ASP CA C 95 57.251 57.251 57.009 0.242 18485 536 1 . 1 1 95 95 ASP CB C 95 41.370 41.370 40.758 0.612 18485 537 1 . 1 1 95 95 ASP H H 95 8.337 8.337 7.826 0.511 18485 538 1 . 1 1 96 96 LEU N N 96 122.329 122.329 120.123 2.206 18485 539 1 . 1 1 96 96 LEU HA H 96 4.081 4.081 4.083 -0.002 18485 540 1 . 1 1 96 96 LEU C C 96 177.070 177.070 178.338 -1.268 18485 541 1 . 1 1 96 96 LEU CA C 96 57.960 57.960 58.133 -0.173 18485 542 1 . 1 1 96 96 LEU CB C 96 40.902 40.902 41.672 -0.770 18485 543 1 . 1 1 96 96 LEU H H 96 7.992 7.992 7.916 0.076 18485 544 1 . 1 1 97 97 LYS N N 97 118.159 118.159 118.215 -0.056 18485 545 1 . 1 1 97 97 LYS HA H 97 3.921 3.921 3.916 0.005 18485 546 1 . 1 1 97 97 LYS C C 97 178.245 178.245 178.893 -0.648 18485 547 1 . 1 1 97 97 LYS CA C 97 60.100 60.100 59.767 0.333 18485 548 1 . 1 1 97 97 LYS CB C 97 31.928 31.928 31.924 0.004 18485 549 1 . 1 1 97 97 LYS H H 97 8.254 8.254 7.987 0.267 18485 550 1 . 1 1 98 98 LYS N N 98 117.677 117.677 120.027 -2.350 18485 551 1 . 1 1 98 98 LYS HA H 98 3.937 3.937 4.016 -0.079 18485 552 1 . 1 1 98 98 LYS C C 98 177.471 177.471 178.746 -1.275 18485 553 1 . 1 1 98 98 LYS CA C 98 59.930 59.930 59.219 0.711 18485 554 1 . 1 1 98 98 LYS CB C 98 32.740 32.740 32.303 0.438 18485 555 1 . 1 1 98 98 LYS H H 98 7.388 7.388 7.947 -0.559 18485 556 1 . 1 1 99 99 MET N N 99 119.426 119.426 119.218 0.208 18485 557 1 . 1 1 99 99 MET HA H 99 4.138 4.138 4.138 0.000 18485 558 1 . 1 1 99 99 MET C C 99 178.018 178.018 178.391 -0.373 18485 559 1 . 1 1 99 99 MET CA C 99 59.151 59.151 59.000 0.151 18485 560 1 . 1 1 99 99 MET CB C 99 32.550 32.550 32.586 -0.036 18485 561 1 . 1 1 99 99 MET H H 99 7.934 7.934 7.955 -0.021 18485 562 1 . 1 1 100 100 LEU N N 100 118.006 118.006 118.963 -0.956 18485 563 1 . 1 1 100 100 LEU HA H 100 3.791 3.791 3.863 -0.072 18485 564 1 . 1 1 100 100 LEU C C 100 178.592 178.592 178.841 -0.249 18485 565 1 . 1 1 100 100 LEU CA C 100 58.602 58.602 58.139 0.463 18485 566 1 . 1 1 100 100 LEU CB C 100 40.700 40.700 41.317 -0.617 18485 567 1 . 1 1 100 100 LEU H H 100 8.131 8.131 7.873 0.258 18485 568 1 . 1 1 101 101 ARG N N 101 118.551 118.551 118.288 0.263 18485 569 1 . 1 1 101 101 ARG HA H 101 4.126 4.126 4.009 0.117 18485 570 1 . 1 1 101 101 ARG C C 101 181.117 181.117 178.446 2.671 18485 571 1 . 1 1 101 101 ARG CA C 101 59.277 59.277 58.954 0.323 18485 572 1 . 1 1 101 101 ARG CB C 101 29.792 29.792 29.612 0.180 18485 573 1 . 1 1 101 101 ARG H H 101 8.045 8.045 7.823 0.222 18485 574 1 . 1 1 102 102 ASP N N 102 122.544 122.544 120.576 1.968 18485 575 1 . 1 1 102 102 ASP HA H 102 4.405 4.405 4.518 -0.113 18485 576 1 . 1 1 102 102 ASP C C 102 178.405 178.405 178.056 0.349 18485 577 1 . 1 1 102 102 ASP CA C 102 57.302 57.302 56.556 0.746 18485 578 1 . 1 1 102 102 ASP CB C 102 40.313 40.313 40.937 -0.624 18485 579 1 . 1 1 102 102 ASP H H 102 8.828 8.828 8.086 0.742 18485 580 1 . 1 1 103 103 LYS N N 103 116.177 116.177 117.118 -0.941 18485 581 1 . 1 1 103 103 LYS HA H 103 4.396 4.396 4.435 -0.039 18485 582 1 . 1 1 103 103 LYS C C 103 176.282 176.282 176.615 -0.333 18485 583 1 . 1 1 103 103 LYS CA C 103 55.324 55.324 55.070 0.254 18485 584 1 . 1 1 103 103 LYS CB C 103 32.715 32.715 32.898 -0.183 18485 585 1 . 1 1 103 103 LYS H H 103 7.847 7.847 8.074 -0.227 18485 586 1 . 1 1 104 104 GLY N N 104 108.597 108.597 107.163 1.434 18485 587 1 . 1 1 104 104 GLY C C 104 174.450 174.450 174.738 -0.288 18485 588 1 . 1 1 104 104 GLY CA C 104 46.323 46.323 45.326 0.997 18485 589 1 . 1 1 104 104 GLY H H 104 7.930 7.930 7.602 0.328 18485 590 1 . 1 1 105 105 ILE N N 105 123.232 123.232 120.005 3.227 18485 591 1 . 1 1 105 105 ILE HA H 105 4.109 4.109 4.256 -0.147 18485 592 1 . 1 1 105 105 ILE C C 105 175.374 175.374 176.472 -1.098 18485 593 1 . 1 1 105 105 ILE CA C 105 60.643 60.643 60.120 0.523 18485 594 1 . 1 1 105 105 ILE CB C 105 38.688 38.688 38.829 -0.141 18485 595 1 . 1 1 105 105 ILE H H 105 8.323 8.323 8.030 0.293 18485 596 1 . 1 1 106 106 THR N N 106 123.522 123.522 122.048 1.474 18485 597 1 . 1 1 106 106 THR HA H 106 4.155 4.155 4.263 -0.108 18485 598 1 . 1 1 106 106 THR C C 106 173.223 173.223 173.575 -0.352 18485 599 1 . 1 1 106 106 THR CA C 106 63.189 63.189 63.532 -0.343 18485 600 1 . 1 1 106 106 THR CB C 106 69.242 69.242 68.551 0.691 18485 601 1 . 1 1 106 106 THR H H 106 8.521 8.521 8.578 -0.057 18485 602 1 . 1 1 107 107 CYS N N 107 120.688 120.688 122.973 -2.285 18485 603 1 . 1 1 107 107 CYS HA H 107 4.867 4.867 5.335 -0.468 18485 604 1 . 1 1 107 107 CYS C C 107 173.798 173.798 173.611 0.187 18485 605 1 . 1 1 107 107 CYS CA C 107 56.552 56.552 56.332 0.220 18485 606 1 . 1 1 107 107 CYS CB C 107 30.462 30.462 31.207 -0.745 18485 607 1 . 1 1 107 107 CYS H H 107 8.247 8.247 8.138 0.108 18485 608 1 . 1 1 108 108 ARG N N 108 122.349 122.349 120.886 1.463 18485 609 1 . 1 1 108 108 ARG HA H 108 4.291 4.291 4.284 0.007 18485 610 1 . 1 1 108 108 ARG C C 108 175.547 175.547 176.159 -0.612 18485 611 1 . 1 1 108 108 ARG CA C 108 56.300 56.300 56.211 0.089 18485 612 1 . 1 1 108 108 ARG CB C 108 31.276 31.276 30.623 0.653 18485 613 1 . 1 1 108 108 ARG H H 108 8.512 8.512 8.454 0.058 18485 614 1 . 1 1 109 109 ASP N N 109 121.453 121.453 120.699 0.754 18485 615 1 . 1 1 109 109 ASP HA H 109 4.625 4.625 4.455 0.170 18485 616 1 . 1 1 109 109 ASP C C 109 174.973 174.973 176.674 -1.701 18485 617 1 . 1 1 109 109 ASP CA C 109 54.239 54.239 55.092 -0.853 18485 618 1 . 1 1 109 109 ASP CB C 109 40.956 40.956 40.999 -0.042 18485 619 1 . 1 1 109 109 ASP H H 109 8.399 8.399 8.392 0.007 18485 stop_ save_