data_18705 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18705 _Entry.PDB_ID 2LXZ 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 18705 _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 THR N N 2 118.310 118.310 116.301 2.009 18705 2 1 1 . 1 1 2 2 THR HA H 2 4.398 4.398 4.644 -0.246 18705 3 1 1 . 1 1 2 2 THR CA C 2 62.489 62.489 61.497 0.992 18705 4 1 1 . 1 1 2 2 THR CB C 2 70.031 70.031 70.000 0.031 18705 5 1 1 . 1 1 2 2 THR H H 2 8.979 8.979 8.486 0.493 18705 6 1 1 . 1 1 3 3 CYS N N 3 123.108 123.108 128.400 -5.292 18705 7 1 1 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.278 0.375 18705 8 1 1 . 1 1 3 3 CYS C C 3 172.018 172.018 174.513 -2.495 18705 9 1 1 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.447 -3.378 18705 10 1 1 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.195 22.523 18705 11 1 1 . 1 1 3 3 CYS H H 3 8.541 8.541 9.168 -0.627 18705 12 1 1 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.833 -0.224 18705 13 1 1 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.534 0.084 18705 14 1 1 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.167 3.014 18705 15 1 1 . 1 1 5 5 CYS N N 5 119.803 119.803 121.036 -1.233 18705 16 1 1 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.697 -1.085 18705 17 1 1 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.753 -1.200 18705 18 1 1 . 1 1 5 5 CYS CB C 5 42.208 42.208 28.222 13.986 18705 19 1 1 . 1 1 5 5 CYS H H 5 9.195 9.195 8.751 0.444 18705 20 1 1 . 1 1 6 6 ARG N N 6 123.484 123.484 122.062 1.422 18705 21 1 1 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.062 0.271 18705 22 1 1 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.664 0.381 18705 23 1 1 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.554 8.370 18705 24 1 1 . 1 1 6 6 ARG H H 6 8.999 8.999 9.190 -0.191 18705 25 1 1 . 1 1 7 7 THR N N 7 126.371 126.371 116.672 9.699 18705 26 1 1 . 1 1 7 7 THR HA H 7 4.917 4.917 3.704 1.213 18705 27 1 1 . 1 1 7 7 THR CA C 7 62.395 62.395 61.128 1.267 18705 28 1 1 . 1 1 7 7 THR CB C 7 71.434 71.434 67.814 3.620 18705 29 1 1 . 1 1 7 7 THR H H 7 9.531 9.531 8.666 0.865 18705 30 1 1 . 1 1 8 8 GLY N N 8 112.530 112.530 112.342 0.188 18705 31 1 1 . 1 1 8 8 GLY C C 8 172.685 172.685 172.376 0.309 18705 32 1 1 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.469 0.340 18705 33 1 1 . 1 1 8 8 GLY H H 8 8.004 8.004 7.566 0.438 18705 34 1 1 . 1 1 9 9 ARG N N 9 119.486 119.486 119.189 0.297 18705 35 1 1 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.354 -0.071 18705 36 1 1 . 1 1 9 9 ARG C C 9 176.627 176.627 175.142 1.485 18705 37 1 1 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.576 -0.828 18705 38 1 1 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.161 0.257 18705 39 1 1 . 1 1 9 9 ARG H H 9 8.183 8.183 8.212 -0.029 18705 40 1 1 . 1 1 10 10 CYS N N 10 116.919 116.919 118.127 -1.208 18705 41 1 1 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.557 0.317 18705 42 1 1 . 1 1 10 10 CYS C C 10 174.788 174.788 174.003 0.785 18705 43 1 1 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.962 -5.225 18705 44 1 1 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.002 6.341 18705 45 1 1 . 1 1 10 10 CYS H H 10 8.595 8.595 8.238 0.357 18705 46 1 1 . 1 1 11 11 ALA N N 11 124.805 124.805 121.959 2.846 18705 47 1 1 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.635 -0.202 18705 48 1 1 . 1 1 11 11 ALA C C 11 177.552 177.552 178.408 -0.856 18705 49 1 1 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.627 -0.246 18705 50 1 1 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.675 -0.275 18705 51 1 1 . 1 1 11 11 ALA H H 11 8.590 8.590 8.670 -0.080 18705 52 1 1 . 1 1 12 12 THR N N 12 114.885 114.885 115.193 -0.308 18705 53 1 1 . 1 1 12 12 THR HA H 12 4.002 4.002 4.022 -0.020 18705 54 1 1 . 1 1 12 12 THR C C 12 174.815 174.815 175.466 -0.651 18705 55 1 1 . 1 1 12 12 THR CA C 12 65.118 65.118 65.317 -0.199 18705 56 1 1 . 1 1 12 12 THR CB C 12 68.792 68.792 68.834 -0.042 18705 57 1 1 . 1 1 12 12 THR H H 12 8.238 8.238 8.466 -0.228 18705 58 1 1 . 1 1 13 13 ARG N N 13 116.842 116.842 117.940 -1.098 18705 59 1 1 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.213 -0.065 18705 60 1 1 . 1 1 13 13 ARG C C 13 175.566 175.566 176.899 -1.333 18705 61 1 1 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.293 0.299 18705 62 1 1 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.859 -1.373 18705 63 1 1 . 1 1 13 13 ARG H H 13 8.518 8.518 8.401 0.117 18705 64 1 1 . 1 1 14 14 GLU N N 14 117.264 117.264 117.871 -0.607 18705 65 1 1 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.462 0.224 18705 66 1 1 . 1 1 14 14 GLU C C 14 176.183 176.183 176.279 -0.096 18705 67 1 1 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.199 -1.554 18705 68 1 1 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.641 1.432 18705 69 1 1 . 1 1 14 14 GLU H H 14 7.855 7.855 7.452 0.403 18705 70 1 1 . 1 1 15 15 SER N N 15 114.972 114.972 114.170 0.802 18705 71 1 1 . 1 1 15 15 SER HA H 15 4.807 4.807 4.643 0.164 18705 72 1 1 . 1 1 15 15 SER C C 15 174.427 174.427 173.511 0.916 18705 73 1 1 . 1 1 15 15 SER CA C 15 56.875 56.875 56.751 0.124 18705 74 1 1 . 1 1 15 15 SER CB C 15 65.036 65.036 65.387 -0.351 18705 75 1 1 . 1 1 15 15 SER H H 15 9.273 9.273 8.762 0.511 18705 76 1 1 . 1 1 16 16 LEU N N 16 129.724 129.724 127.298 2.426 18705 77 1 1 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.899 -0.108 18705 78 1 1 . 1 1 16 16 LEU C C 16 177.525 177.525 177.790 -0.265 18705 79 1 1 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.141 1.243 18705 80 1 1 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.235 -0.798 18705 81 1 1 . 1 1 16 16 LEU H H 16 9.076 9.076 8.894 0.182 18705 82 1 1 . 1 1 17 17 SER N N 17 123.451 123.451 120.642 2.809 18705 83 1 1 . 1 1 17 17 SER HA H 17 4.877 4.877 4.656 0.221 18705 84 1 1 . 1 1 17 17 SER CA C 17 58.092 58.092 58.017 0.075 18705 85 1 1 . 1 1 17 17 SER CB C 17 65.350 65.350 64.882 0.467 18705 86 1 1 . 1 1 17 17 SER H H 17 9.387 9.387 9.039 0.348 18705 87 1 1 . 1 1 18 18 GLY N N 18 107.233 107.233 109.441 -2.208 18705 88 1 1 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.210 -0.275 18705 89 1 1 . 1 1 18 18 GLY H H 18 7.608 7.608 7.331 0.277 18705 90 1 1 . 1 1 19 19 VAL N N 19 118.833 118.833 120.049 -1.216 18705 91 1 1 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.942 0.123 18705 92 1 1 . 1 1 19 19 VAL CA C 19 60.314 60.314 59.891 0.423 18705 93 1 1 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.443 2.846 18705 94 1 1 . 1 1 19 19 VAL H H 19 8.692 8.692 8.151 0.541 18705 95 1 1 . 1 1 20 20 CYS N N 20 121.714 121.714 128.550 -6.836 18705 96 1 1 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.533 0.359 18705 97 1 1 . 1 1 20 20 CYS C C 20 176.328 176.328 173.654 2.674 18705 98 1 1 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.403 -4.927 18705 99 1 1 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.947 14.231 18705 100 1 1 . 1 1 20 20 CYS H H 20 8.133 8.133 9.192 -1.059 18705 101 1 1 . 1 1 22 22 ILE N N 22 124.351 124.351 125.856 -1.505 18705 102 1 1 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.371 -0.030 18705 103 1 1 . 1 1 22 22 ILE C C 22 176.380 176.380 175.838 0.542 18705 104 1 1 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.161 1.099 18705 105 1 1 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.977 -0.100 18705 106 1 1 . 1 1 22 22 ILE H H 22 8.865 8.865 9.102 -0.237 18705 107 1 1 . 1 1 23 23 SER N N 23 124.886 124.886 123.374 1.512 18705 108 1 1 . 1 1 23 23 SER HA H 23 4.108 4.108 4.076 0.032 18705 109 1 1 . 1 1 23 23 SER CA C 23 58.444 58.444 59.155 -0.711 18705 110 1 1 . 1 1 23 23 SER CB C 23 62.226 62.226 62.589 -0.363 18705 111 1 1 . 1 1 23 23 SER H H 23 9.633 9.633 9.202 0.431 18705 112 1 1 . 1 1 24 24 GLY N N 24 104.151 104.151 108.085 -3.934 18705 113 1 1 . 1 1 24 24 GLY C C 24 173.429 173.429 173.482 -0.053 18705 114 1 1 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.878 0.355 18705 115 1 1 . 1 1 24 24 GLY H H 24 8.635 8.635 8.405 0.230 18705 116 1 1 . 1 1 25 25 ARG N N 25 121.072 121.072 121.715 -0.643 18705 117 1 1 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.713 -0.133 18705 118 1 1 . 1 1 25 25 ARG C C 25 174.701 174.701 174.934 -0.233 18705 119 1 1 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.990 -0.722 18705 120 1 1 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.462 0.094 18705 121 1 1 . 1 1 25 25 ARG H H 25 7.969 7.969 8.057 -0.088 18705 122 1 1 . 1 1 26 26 LEU N N 26 124.251 124.251 124.499 -0.248 18705 123 1 1 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.871 -0.072 18705 124 1 1 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.212 0.724 18705 125 1 1 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.350 0.497 18705 126 1 1 . 1 1 26 26 LEU H H 26 8.161 8.161 8.542 -0.381 18705 127 1 1 . 1 1 27 27 TYR N N 27 122.809 122.809 124.139 -1.330 18705 128 1 1 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.786 0.000 18705 129 1 1 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.755 -2.656 18705 130 1 1 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.460 -1.506 18705 131 1 1 . 1 1 27 27 TYR H H 27 9.173 9.173 8.940 0.233 18705 132 1 1 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.054 -0.442 18705 133 1 1 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.943 -1.083 18705 134 1 1 . 1 1 30 30 CYS N N 30 127.797 127.797 122.477 5.320 18705 135 1 1 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.393 0.049 18705 136 1 1 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.734 -1.276 18705 137 1 1 . 1 1 30 30 CYS CB C 30 43.152 43.152 29.022 14.130 18705 138 1 1 . 1 1 30 30 CYS H H 30 9.020 9.020 8.255 0.765 18705 139 1 1 . 1 1 31 31 CYS N N 31 120.526 120.526 122.848 -2.322 18705 140 1 1 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.362 0.405 18705 141 1 1 . 1 1 31 31 CYS C C 31 173.200 173.200 174.490 -1.290 18705 142 1 1 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.999 -2.315 18705 143 1 1 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.199 18.867 18705 144 1 1 . 1 1 31 31 CYS H H 31 9.049 9.049 8.958 0.091 18705 145 1 2 . 1 1 2 2 THR N N 2 118.310 118.310 116.368 1.942 18705 146 1 2 . 1 1 2 2 THR HA H 2 4.398 4.398 4.653 -0.255 18705 147 1 2 . 1 1 2 2 THR CA C 2 62.489 62.489 61.569 0.920 18705 148 1 2 . 1 1 2 2 THR CB C 2 70.031 70.031 70.092 -0.061 18705 149 1 2 . 1 1 2 2 THR H H 2 8.979 8.979 8.315 0.664 18705 150 1 2 . 1 1 3 3 CYS N N 3 123.108 123.108 128.224 -5.116 18705 151 1 2 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.061 0.592 18705 152 1 2 . 1 1 3 3 CYS C C 3 172.018 172.018 174.391 -2.373 18705 153 1 2 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.461 -3.392 18705 154 1 2 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.096 22.622 18705 155 1 2 . 1 1 3 3 CYS H H 3 8.541 8.541 9.170 -0.629 18705 156 1 2 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.830 -0.221 18705 157 1 2 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.428 0.190 18705 158 1 2 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.151 3.031 18705 159 1 2 . 1 1 5 5 CYS N N 5 119.803 119.803 121.264 -1.461 18705 160 1 2 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.661 -1.049 18705 161 1 2 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.851 -1.298 18705 162 1 2 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.665 14.543 18705 163 1 2 . 1 1 5 5 CYS H H 5 9.195 9.195 8.755 0.440 18705 164 1 2 . 1 1 6 6 ARG N N 6 123.484 123.484 122.768 0.716 18705 165 1 2 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.061 0.272 18705 166 1 2 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.459 0.586 18705 167 1 2 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.531 8.394 18705 168 1 2 . 1 1 6 6 ARG H H 6 8.999 8.999 9.266 -0.267 18705 169 1 2 . 1 1 7 7 THR N N 7 126.371 126.371 117.099 9.272 18705 170 1 2 . 1 1 7 7 THR HA H 7 4.917 4.917 3.422 1.495 18705 171 1 2 . 1 1 7 7 THR CA C 7 62.395 62.395 61.414 0.981 18705 172 1 2 . 1 1 7 7 THR CB C 7 71.434 71.434 67.570 3.864 18705 173 1 2 . 1 1 7 7 THR H H 7 9.531 9.531 8.694 0.837 18705 174 1 2 . 1 1 8 8 GLY N N 8 112.530 112.530 113.784 -1.254 18705 175 1 2 . 1 1 8 8 GLY C C 8 172.685 172.685 172.457 0.228 18705 176 1 2 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.587 0.222 18705 177 1 2 . 1 1 8 8 GLY H H 8 8.004 8.004 7.493 0.511 18705 178 1 2 . 1 1 9 9 ARG N N 9 119.486 119.486 119.889 -0.403 18705 179 1 2 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.372 -0.089 18705 180 1 2 . 1 1 9 9 ARG C C 9 176.627 176.627 175.434 1.193 18705 181 1 2 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.604 -0.856 18705 182 1 2 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.605 -0.187 18705 183 1 2 . 1 1 9 9 ARG H H 9 8.183 8.183 8.257 -0.074 18705 184 1 2 . 1 1 10 10 CYS N N 10 116.919 116.919 117.455 -0.536 18705 185 1 2 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.540 0.334 18705 186 1 2 . 1 1 10 10 CYS C C 10 174.788 174.788 174.360 0.428 18705 187 1 2 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.145 -5.408 18705 188 1 2 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.705 6.638 18705 189 1 2 . 1 1 10 10 CYS H H 10 8.595 8.595 8.197 0.398 18705 190 1 2 . 1 1 11 11 ALA N N 11 124.805 124.805 122.176 2.629 18705 191 1 2 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.587 -0.154 18705 192 1 2 . 1 1 11 11 ALA C C 11 177.552 177.552 178.751 -1.199 18705 193 1 2 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.678 -0.297 18705 194 1 2 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.613 -0.213 18705 195 1 2 . 1 1 11 11 ALA H H 11 8.590 8.590 8.669 -0.079 18705 196 1 2 . 1 1 12 12 THR N N 12 114.885 114.885 115.586 -0.701 18705 197 1 2 . 1 1 12 12 THR HA H 12 4.002 4.002 4.061 -0.059 18705 198 1 2 . 1 1 12 12 THR C C 12 174.815 174.815 175.628 -0.813 18705 199 1 2 . 1 1 12 12 THR CA C 12 65.118 65.118 65.459 -0.341 18705 200 1 2 . 1 1 12 12 THR CB C 12 68.792 68.792 68.769 0.023 18705 201 1 2 . 1 1 12 12 THR H H 12 8.238 8.238 8.470 -0.232 18705 202 1 2 . 1 1 13 13 ARG N N 13 116.842 116.842 118.159 -1.317 18705 203 1 2 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.206 -0.058 18705 204 1 2 . 1 1 13 13 ARG C C 13 175.566 175.566 177.028 -1.462 18705 205 1 2 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.063 0.529 18705 206 1 2 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.939 -1.453 18705 207 1 2 . 1 1 13 13 ARG H H 13 8.518 8.518 8.343 0.175 18705 208 1 2 . 1 1 14 14 GLU N N 14 117.264 117.264 118.187 -0.923 18705 209 1 2 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.423 0.263 18705 210 1 2 . 1 1 14 14 GLU C C 14 176.183 176.183 176.224 -0.041 18705 211 1 2 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.412 -1.767 18705 212 1 2 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.488 1.585 18705 213 1 2 . 1 1 14 14 GLU H H 14 7.855 7.855 7.430 0.425 18705 214 1 2 . 1 1 15 15 SER N N 15 114.972 114.972 114.326 0.646 18705 215 1 2 . 1 1 15 15 SER HA H 15 4.807 4.807 4.680 0.127 18705 216 1 2 . 1 1 15 15 SER C C 15 174.427 174.427 173.753 0.674 18705 217 1 2 . 1 1 15 15 SER CA C 15 56.875 56.875 56.782 0.093 18705 218 1 2 . 1 1 15 15 SER CB C 15 65.036 65.036 65.495 -0.459 18705 219 1 2 . 1 1 15 15 SER H H 15 9.273 9.273 8.814 0.459 18705 220 1 2 . 1 1 16 16 LEU N N 16 129.724 129.724 127.824 1.900 18705 221 1 2 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.772 0.019 18705 222 1 2 . 1 1 16 16 LEU C C 16 177.525 177.525 177.729 -0.204 18705 223 1 2 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.062 1.323 18705 224 1 2 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.442 -1.005 18705 225 1 2 . 1 1 16 16 LEU H H 16 9.076 9.076 8.912 0.164 18705 226 1 2 . 1 1 17 17 SER N N 17 123.451 123.451 120.819 2.632 18705 227 1 2 . 1 1 17 17 SER HA H 17 4.877 4.877 4.619 0.258 18705 228 1 2 . 1 1 17 17 SER CA C 17 58.092 58.092 58.051 0.041 18705 229 1 2 . 1 1 17 17 SER CB C 17 65.350 65.350 64.822 0.528 18705 230 1 2 . 1 1 17 17 SER H H 17 9.387 9.387 9.226 0.161 18705 231 1 2 . 1 1 18 18 GLY N N 18 107.233 107.233 109.765 -2.532 18705 232 1 2 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.278 -0.343 18705 233 1 2 . 1 1 18 18 GLY H H 18 7.608 7.608 7.385 0.223 18705 234 1 2 . 1 1 19 19 VAL N N 19 118.833 118.833 119.826 -0.993 18705 235 1 2 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.958 0.107 18705 236 1 2 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.333 -0.019 18705 237 1 2 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.980 2.309 18705 238 1 2 . 1 1 19 19 VAL H H 19 8.692 8.692 8.167 0.525 18705 239 1 2 . 1 1 20 20 CYS N N 20 121.714 121.714 128.375 -6.661 18705 240 1 2 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.632 0.260 18705 241 1 2 . 1 1 20 20 CYS C C 20 176.328 176.328 173.580 2.748 18705 242 1 2 . 1 1 20 20 CYS CA C 20 54.476 54.476 58.912 -4.436 18705 243 1 2 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.398 13.780 18705 244 1 2 . 1 1 20 20 CYS H H 20 8.133 8.133 9.295 -1.162 18705 245 1 2 . 1 1 22 22 ILE N N 22 124.351 124.351 125.777 -1.426 18705 246 1 2 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.350 -0.009 18705 247 1 2 . 1 1 22 22 ILE C C 22 176.380 176.380 175.772 0.608 18705 248 1 2 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.139 1.121 18705 249 1 2 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.928 -0.051 18705 250 1 2 . 1 1 22 22 ILE H H 22 8.865 8.865 9.066 -0.201 18705 251 1 2 . 1 1 23 23 SER N N 23 124.886 124.886 123.049 1.837 18705 252 1 2 . 1 1 23 23 SER HA H 23 4.108 4.108 4.071 0.037 18705 253 1 2 . 1 1 23 23 SER CA C 23 58.444 58.444 59.106 -0.662 18705 254 1 2 . 1 1 23 23 SER CB C 23 62.226 62.226 62.637 -0.411 18705 255 1 2 . 1 1 23 23 SER H H 23 9.633 9.633 9.180 0.453 18705 256 1 2 . 1 1 24 24 GLY N N 24 104.151 104.151 108.101 -3.950 18705 257 1 2 . 1 1 24 24 GLY C C 24 173.429 173.429 173.559 -0.130 18705 258 1 2 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.863 0.370 18705 259 1 2 . 1 1 24 24 GLY H H 24 8.635 8.635 8.377 0.258 18705 260 1 2 . 1 1 25 25 ARG N N 25 121.072 121.072 121.132 -0.060 18705 261 1 2 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.612 -0.032 18705 262 1 2 . 1 1 25 25 ARG C C 25 174.701 174.701 175.423 -0.722 18705 263 1 2 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.261 -0.994 18705 264 1 2 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.248 0.308 18705 265 1 2 . 1 1 25 25 ARG H H 25 7.969 7.969 8.030 -0.062 18705 266 1 2 . 1 1 26 26 LEU N N 26 124.251 124.251 125.923 -1.672 18705 267 1 2 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.707 0.092 18705 268 1 2 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.312 0.625 18705 269 1 2 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.473 0.374 18705 270 1 2 . 1 1 26 26 LEU H H 26 8.161 8.161 8.603 -0.442 18705 271 1 2 . 1 1 27 27 TYR N N 27 122.809 122.809 123.406 -0.597 18705 272 1 2 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.755 0.031 18705 273 1 2 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.016 -2.917 18705 274 1 2 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.281 -1.327 18705 275 1 2 . 1 1 27 27 TYR H H 27 9.173 9.173 9.237 -0.064 18705 276 1 2 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.104 -0.492 18705 277 1 2 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.828 -0.968 18705 278 1 2 . 1 1 30 30 CYS N N 30 127.797 127.797 122.291 5.506 18705 279 1 2 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.364 0.078 18705 280 1 2 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.686 -1.228 18705 281 1 2 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.496 14.656 18705 282 1 2 . 1 1 30 30 CYS H H 30 9.020 9.020 8.134 0.886 18705 283 1 2 . 1 1 31 31 CYS N N 31 120.526 120.526 123.648 -3.122 18705 284 1 2 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.317 0.450 18705 285 1 2 . 1 1 31 31 CYS C C 31 173.200 173.200 174.505 -1.305 18705 286 1 2 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.928 -2.244 18705 287 1 2 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.644 19.422 18705 288 1 2 . 1 1 31 31 CYS H H 31 9.049 9.049 9.047 0.002 18705 289 1 3 . 1 1 2 2 THR N N 2 118.310 118.310 116.179 2.131 18705 290 1 3 . 1 1 2 2 THR HA H 2 4.398 4.398 4.713 -0.315 18705 291 1 3 . 1 1 2 2 THR CA C 2 62.489 62.489 61.486 1.003 18705 292 1 3 . 1 1 2 2 THR CB C 2 70.031 70.031 69.498 0.533 18705 293 1 3 . 1 1 2 2 THR H H 2 8.979 8.979 8.145 0.834 18705 294 1 3 . 1 1 3 3 CYS N N 3 123.108 123.108 128.205 -5.097 18705 295 1 3 . 1 1 3 3 CYS HA H 3 5.653 5.653 4.911 0.742 18705 296 1 3 . 1 1 3 3 CYS C C 3 172.018 172.018 174.299 -2.281 18705 297 1 3 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.576 -3.507 18705 298 1 3 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.355 22.363 18705 299 1 3 . 1 1 3 3 CYS H H 3 8.541 8.541 9.145 -0.604 18705 300 1 3 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.838 -0.229 18705 301 1 3 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.506 0.112 18705 302 1 3 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.086 3.096 18705 303 1 3 . 1 1 5 5 CYS N N 5 119.803 119.803 121.611 -1.808 18705 304 1 3 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.697 -1.085 18705 305 1 3 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.802 -1.249 18705 306 1 3 . 1 1 5 5 CYS CB C 5 42.208 42.208 28.119 14.089 18705 307 1 3 . 1 1 5 5 CYS H H 5 9.195 9.195 8.791 0.404 18705 308 1 3 . 1 1 6 6 ARG N N 6 123.484 123.484 122.303 1.181 18705 309 1 3 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.033 0.300 18705 310 1 3 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.564 0.481 18705 311 1 3 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.564 8.361 18705 312 1 3 . 1 1 6 6 ARG H H 6 8.999 8.999 9.351 -0.352 18705 313 1 3 . 1 1 7 7 THR N N 7 126.371 126.371 118.051 8.320 18705 314 1 3 . 1 1 7 7 THR HA H 7 4.917 4.917 3.467 1.450 18705 315 1 3 . 1 1 7 7 THR CA C 7 62.395 62.395 62.078 0.318 18705 316 1 3 . 1 1 7 7 THR CB C 7 71.434 71.434 67.608 3.826 18705 317 1 3 . 1 1 7 7 THR H H 7 9.531 9.531 8.578 0.953 18705 318 1 3 . 1 1 8 8 GLY N N 8 112.530 112.530 111.484 1.046 18705 319 1 3 . 1 1 8 8 GLY C C 8 172.685 172.685 172.145 0.540 18705 320 1 3 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.376 0.433 18705 321 1 3 . 1 1 8 8 GLY H H 8 8.004 8.004 7.533 0.471 18705 322 1 3 . 1 1 9 9 ARG N N 9 119.486 119.486 118.530 0.956 18705 323 1 3 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.195 0.088 18705 324 1 3 . 1 1 9 9 ARG C C 9 176.627 176.627 175.336 1.291 18705 325 1 3 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.879 -1.131 18705 326 1 3 . 1 1 9 9 ARG CB C 9 31.418 31.418 30.903 0.515 18705 327 1 3 . 1 1 9 9 ARG H H 9 8.183 8.183 8.325 -0.142 18705 328 1 3 . 1 1 10 10 CYS N N 10 116.919 116.919 119.109 -2.190 18705 329 1 3 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.588 0.286 18705 330 1 3 . 1 1 10 10 CYS C C 10 174.788 174.788 173.790 0.998 18705 331 1 3 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.983 -5.246 18705 332 1 3 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.320 6.023 18705 333 1 3 . 1 1 10 10 CYS H H 10 8.595 8.595 8.297 0.298 18705 334 1 3 . 1 1 11 11 ALA N N 11 124.805 124.805 122.717 2.088 18705 335 1 3 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.608 -0.175 18705 336 1 3 . 1 1 11 11 ALA C C 11 177.552 177.552 178.902 -1.350 18705 337 1 3 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.339 0.042 18705 338 1 3 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.899 -0.499 18705 339 1 3 . 1 1 11 11 ALA H H 11 8.590 8.590 8.750 -0.160 18705 340 1 3 . 1 1 12 12 THR N N 12 114.885 114.885 115.528 -0.643 18705 341 1 3 . 1 1 12 12 THR HA H 12 4.002 4.002 4.015 -0.013 18705 342 1 3 . 1 1 12 12 THR C C 12 174.815 174.815 175.747 -0.932 18705 343 1 3 . 1 1 12 12 THR CA C 12 65.118 65.118 65.589 -0.471 18705 344 1 3 . 1 1 12 12 THR CB C 12 68.792 68.792 68.823 -0.031 18705 345 1 3 . 1 1 12 12 THR H H 12 8.238 8.238 8.438 -0.200 18705 346 1 3 . 1 1 13 13 ARG N N 13 116.842 116.842 118.134 -1.292 18705 347 1 3 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.197 -0.049 18705 348 1 3 . 1 1 13 13 ARG C C 13 175.566 175.566 177.092 -1.526 18705 349 1 3 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.217 0.375 18705 350 1 3 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.982 -1.496 18705 351 1 3 . 1 1 13 13 ARG H H 13 8.518 8.518 8.354 0.164 18705 352 1 3 . 1 1 14 14 GLU N N 14 117.264 117.264 118.076 -0.812 18705 353 1 3 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.438 0.248 18705 354 1 3 . 1 1 14 14 GLU C C 14 176.183 176.183 176.264 -0.081 18705 355 1 3 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.389 -1.744 18705 356 1 3 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.500 1.573 18705 357 1 3 . 1 1 14 14 GLU H H 14 7.855 7.855 7.469 0.386 18705 358 1 3 . 1 1 15 15 SER N N 15 114.972 114.972 114.053 0.919 18705 359 1 3 . 1 1 15 15 SER HA H 15 4.807 4.807 4.668 0.139 18705 360 1 3 . 1 1 15 15 SER C C 15 174.427 174.427 173.729 0.698 18705 361 1 3 . 1 1 15 15 SER CA C 15 56.875 56.875 56.872 0.003 18705 362 1 3 . 1 1 15 15 SER CB C 15 65.036 65.036 65.510 -0.474 18705 363 1 3 . 1 1 15 15 SER H H 15 9.273 9.273 8.788 0.485 18705 364 1 3 . 1 1 16 16 LEU N N 16 129.724 129.724 127.327 2.397 18705 365 1 3 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.960 -0.169 18705 366 1 3 . 1 1 16 16 LEU C C 16 177.525 177.525 177.656 -0.131 18705 367 1 3 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.094 1.290 18705 368 1 3 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.528 -1.091 18705 369 1 3 . 1 1 16 16 LEU H H 16 9.076 9.076 8.884 0.192 18705 370 1 3 . 1 1 17 17 SER N N 17 123.451 123.451 120.443 3.008 18705 371 1 3 . 1 1 17 17 SER HA H 17 4.877 4.877 4.641 0.236 18705 372 1 3 . 1 1 17 17 SER CA C 17 58.092 58.092 58.128 -0.036 18705 373 1 3 . 1 1 17 17 SER CB C 17 65.350 65.350 64.794 0.556 18705 374 1 3 . 1 1 17 17 SER H H 17 9.387 9.387 9.100 0.287 18705 375 1 3 . 1 1 18 18 GLY N N 18 107.233 107.233 109.551 -2.318 18705 376 1 3 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.094 -0.160 18705 377 1 3 . 1 1 18 18 GLY H H 18 7.608 7.608 7.367 0.241 18705 378 1 3 . 1 1 19 19 VAL N N 19 118.833 118.833 120.402 -1.569 18705 379 1 3 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.854 0.211 18705 380 1 3 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.509 -1.195 18705 381 1 3 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.364 2.925 18705 382 1 3 . 1 1 19 19 VAL H H 19 8.692 8.692 8.278 0.414 18705 383 1 3 . 1 1 20 20 CYS N N 20 121.714 121.714 128.169 -6.455 18705 384 1 3 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.531 0.361 18705 385 1 3 . 1 1 20 20 CYS C C 20 176.328 176.328 173.712 2.616 18705 386 1 3 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.307 -4.831 18705 387 1 3 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.613 14.566 18705 388 1 3 . 1 1 20 20 CYS H H 20 8.133 8.133 9.157 -1.024 18705 389 1 3 . 1 1 22 22 ILE N N 22 124.351 124.351 124.760 -0.409 18705 390 1 3 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.404 -0.063 18705 391 1 3 . 1 1 22 22 ILE C C 22 176.380 176.380 176.020 0.360 18705 392 1 3 . 1 1 22 22 ILE CA C 22 61.260 61.260 59.221 2.038 18705 393 1 3 . 1 1 22 22 ILE CB C 22 40.877 40.877 39.609 1.268 18705 394 1 3 . 1 1 22 22 ILE H H 22 8.865 8.865 9.110 -0.245 18705 395 1 3 . 1 1 23 23 SER N N 23 124.886 124.886 120.933 3.953 18705 396 1 3 . 1 1 23 23 SER HA H 23 4.108 4.108 4.077 0.031 18705 397 1 3 . 1 1 23 23 SER CA C 23 58.444 58.444 58.973 -0.529 18705 398 1 3 . 1 1 23 23 SER CB C 23 62.226 62.226 62.299 -0.073 18705 399 1 3 . 1 1 23 23 SER H H 23 9.633 9.633 9.022 0.611 18705 400 1 3 . 1 1 24 24 GLY N N 24 104.151 104.151 106.473 -2.322 18705 401 1 3 . 1 1 24 24 GLY C C 24 173.429 173.429 174.094 -0.665 18705 402 1 3 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.793 0.440 18705 403 1 3 . 1 1 24 24 GLY H H 24 8.635 8.635 8.138 0.497 18705 404 1 3 . 1 1 25 25 ARG N N 25 121.072 121.072 121.477 -0.405 18705 405 1 3 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.552 0.028 18705 406 1 3 . 1 1 25 25 ARG C C 25 174.701 174.701 175.381 -0.680 18705 407 1 3 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.382 -1.114 18705 408 1 3 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.149 0.407 18705 409 1 3 . 1 1 25 25 ARG H H 25 7.969 7.969 8.024 -0.055 18705 410 1 3 . 1 1 26 26 LEU N N 26 124.251 124.251 124.655 -0.404 18705 411 1 3 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.533 0.266 18705 412 1 3 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.126 0.811 18705 413 1 3 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.407 0.440 18705 414 1 3 . 1 1 26 26 LEU H H 26 8.161 8.161 8.480 -0.319 18705 415 1 3 . 1 1 27 27 TYR N N 27 122.809 122.809 123.909 -1.100 18705 416 1 3 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.708 0.078 18705 417 1 3 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.263 -3.164 18705 418 1 3 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.912 -1.958 18705 419 1 3 . 1 1 27 27 TYR H H 27 9.173 9.173 8.406 0.767 18705 420 1 3 . 1 1 29 29 LEU HA H 29 4.612 4.612 4.961 -0.349 18705 421 1 3 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.066 -1.206 18705 422 1 3 . 1 1 30 30 CYS N N 30 127.797 127.797 122.492 5.305 18705 423 1 3 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.415 0.027 18705 424 1 3 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.772 -1.314 18705 425 1 3 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.897 14.255 18705 426 1 3 . 1 1 30 30 CYS H H 30 9.020 9.020 8.271 0.749 18705 427 1 3 . 1 1 31 31 CYS N N 31 120.526 120.526 123.135 -2.609 18705 428 1 3 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.405 0.362 18705 429 1 3 . 1 1 31 31 CYS C C 31 173.200 173.200 174.422 -1.222 18705 430 1 3 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.858 -2.174 18705 431 1 3 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.326 18.740 18705 432 1 3 . 1 1 31 31 CYS H H 31 9.049 9.049 9.003 0.046 18705 433 1 4 . 1 1 2 2 THR N N 2 118.310 118.310 116.067 2.243 18705 434 1 4 . 1 1 2 2 THR HA H 2 4.398 4.398 4.691 -0.293 18705 435 1 4 . 1 1 2 2 THR CA C 2 62.489 62.489 61.992 0.497 18705 436 1 4 . 1 1 2 2 THR CB C 2 70.031 70.031 69.437 0.594 18705 437 1 4 . 1 1 2 2 THR H H 2 8.979 8.979 8.887 0.092 18705 438 1 4 . 1 1 3 3 CYS N N 3 123.108 123.108 128.469 -5.361 18705 439 1 4 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.054 0.599 18705 440 1 4 . 1 1 3 3 CYS C C 3 172.018 172.018 174.624 -2.606 18705 441 1 4 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.318 -3.249 18705 442 1 4 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.527 22.191 18705 443 1 4 . 1 1 3 3 CYS H H 3 8.541 8.541 9.144 -0.603 18705 444 1 4 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.847 -0.238 18705 445 1 4 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.408 0.210 18705 446 1 4 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.230 2.952 18705 447 1 4 . 1 1 5 5 CYS N N 5 119.803 119.803 121.330 -1.527 18705 448 1 4 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.573 -0.961 18705 449 1 4 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.890 -1.337 18705 450 1 4 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.596 14.612 18705 451 1 4 . 1 1 5 5 CYS H H 5 9.195 9.195 8.754 0.441 18705 452 1 4 . 1 1 6 6 ARG N N 6 123.484 123.484 122.045 1.439 18705 453 1 4 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.977 0.356 18705 454 1 4 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.412 0.633 18705 455 1 4 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.119 8.806 18705 456 1 4 . 1 1 6 6 ARG H H 6 8.999 8.999 9.153 -0.154 18705 457 1 4 . 1 1 7 7 THR N N 7 126.371 126.371 117.448 8.923 18705 458 1 4 . 1 1 7 7 THR HA H 7 4.917 4.917 3.594 1.323 18705 459 1 4 . 1 1 7 7 THR CA C 7 62.395 62.395 61.178 1.217 18705 460 1 4 . 1 1 7 7 THR CB C 7 71.434 71.434 67.379 4.055 18705 461 1 4 . 1 1 7 7 THR H H 7 9.531 9.531 8.595 0.936 18705 462 1 4 . 1 1 8 8 GLY N N 8 112.530 112.530 112.043 0.487 18705 463 1 4 . 1 1 8 8 GLY C C 8 172.685 172.685 171.882 0.803 18705 464 1 4 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.285 0.524 18705 465 1 4 . 1 1 8 8 GLY H H 8 8.004 8.004 7.427 0.577 18705 466 1 4 . 1 1 9 9 ARG N N 9 119.486 119.486 119.252 0.234 18705 467 1 4 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.308 -0.025 18705 468 1 4 . 1 1 9 9 ARG C C 9 176.627 176.627 175.122 1.505 18705 469 1 4 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.724 -0.976 18705 470 1 4 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.565 -0.147 18705 471 1 4 . 1 1 9 9 ARG H H 9 8.183 8.183 8.336 -0.153 18705 472 1 4 . 1 1 10 10 CYS N N 10 116.919 116.919 118.804 -1.885 18705 473 1 4 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.543 0.331 18705 474 1 4 . 1 1 10 10 CYS C C 10 174.788 174.788 174.142 0.646 18705 475 1 4 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.049 -5.312 18705 476 1 4 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.973 6.370 18705 477 1 4 . 1 1 10 10 CYS H H 10 8.595 8.595 8.242 0.353 18705 478 1 4 . 1 1 11 11 ALA N N 11 124.805 124.805 121.955 2.850 18705 479 1 4 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.593 -0.160 18705 480 1 4 . 1 1 11 11 ALA C C 11 177.552 177.552 178.609 -1.057 18705 481 1 4 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.646 -0.265 18705 482 1 4 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.637 -0.237 18705 483 1 4 . 1 1 11 11 ALA H H 11 8.590 8.590 8.626 -0.036 18705 484 1 4 . 1 1 12 12 THR N N 12 114.885 114.885 115.239 -0.354 18705 485 1 4 . 1 1 12 12 THR HA H 12 4.002 4.002 4.055 -0.053 18705 486 1 4 . 1 1 12 12 THR C C 12 174.815 174.815 175.581 -0.766 18705 487 1 4 . 1 1 12 12 THR CA C 12 65.118 65.118 65.576 -0.458 18705 488 1 4 . 1 1 12 12 THR CB C 12 68.792 68.792 68.942 -0.150 18705 489 1 4 . 1 1 12 12 THR H H 12 8.238 8.238 8.551 -0.313 18705 490 1 4 . 1 1 13 13 ARG N N 13 116.842 116.842 117.890 -1.048 18705 491 1 4 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.141 0.007 18705 492 1 4 . 1 1 13 13 ARG C C 13 175.566 175.566 176.608 -1.042 18705 493 1 4 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.657 -0.065 18705 494 1 4 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.858 -1.372 18705 495 1 4 . 1 1 13 13 ARG H H 13 8.518 8.518 8.315 0.203 18705 496 1 4 . 1 1 14 14 GLU N N 14 117.264 117.264 118.195 -0.931 18705 497 1 4 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.476 0.210 18705 498 1 4 . 1 1 14 14 GLU C C 14 176.183 176.183 176.273 -0.090 18705 499 1 4 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.239 -1.594 18705 500 1 4 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.566 1.507 18705 501 1 4 . 1 1 14 14 GLU H H 14 7.855 7.855 7.530 0.325 18705 502 1 4 . 1 1 15 15 SER N N 15 114.972 114.972 115.079 -0.107 18705 503 1 4 . 1 1 15 15 SER HA H 15 4.807 4.807 4.675 0.132 18705 504 1 4 . 1 1 15 15 SER C C 15 174.427 174.427 173.819 0.608 18705 505 1 4 . 1 1 15 15 SER CA C 15 56.875 56.875 56.255 0.620 18705 506 1 4 . 1 1 15 15 SER CB C 15 65.036 65.036 65.359 -0.323 18705 507 1 4 . 1 1 15 15 SER H H 15 9.273 9.273 8.906 0.367 18705 508 1 4 . 1 1 16 16 LEU N N 16 129.724 129.724 127.519 2.205 18705 509 1 4 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.940 -0.149 18705 510 1 4 . 1 1 16 16 LEU C C 16 177.525 177.525 177.763 -0.238 18705 511 1 4 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.943 1.441 18705 512 1 4 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.372 -0.935 18705 513 1 4 . 1 1 16 16 LEU H H 16 9.076 9.076 8.917 0.159 18705 514 1 4 . 1 1 17 17 SER N N 17 123.451 123.451 120.713 2.738 18705 515 1 4 . 1 1 17 17 SER HA H 17 4.877 4.877 4.652 0.225 18705 516 1 4 . 1 1 17 17 SER CA C 17 58.092 58.092 58.247 -0.155 18705 517 1 4 . 1 1 17 17 SER CB C 17 65.350 65.350 65.345 0.005 18705 518 1 4 . 1 1 17 17 SER H H 17 9.387 9.387 9.106 0.281 18705 519 1 4 . 1 1 18 18 GLY N N 18 107.233 107.233 110.077 -2.844 18705 520 1 4 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.302 -0.367 18705 521 1 4 . 1 1 18 18 GLY H H 18 7.608 7.608 7.344 0.264 18705 522 1 4 . 1 1 19 19 VAL N N 19 118.833 118.833 120.392 -1.559 18705 523 1 4 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.825 0.240 18705 524 1 4 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.359 -1.045 18705 525 1 4 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.571 2.718 18705 526 1 4 . 1 1 19 19 VAL H H 19 8.692 8.692 8.296 0.396 18705 527 1 4 . 1 1 20 20 CYS N N 20 121.714 121.714 127.663 -5.949 18705 528 1 4 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.501 0.391 18705 529 1 4 . 1 1 20 20 CYS C C 20 176.328 176.328 173.748 2.580 18705 530 1 4 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.640 -5.164 18705 531 1 4 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.523 13.655 18705 532 1 4 . 1 1 20 20 CYS H H 20 8.133 8.133 9.171 -1.038 18705 533 1 4 . 1 1 22 22 ILE N N 22 124.351 124.351 123.434 0.917 18705 534 1 4 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.352 -0.011 18705 535 1 4 . 1 1 22 22 ILE C C 22 176.380 176.380 175.834 0.546 18705 536 1 4 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.050 1.210 18705 537 1 4 . 1 1 22 22 ILE CB C 22 40.877 40.877 41.010 -0.133 18705 538 1 4 . 1 1 22 22 ILE H H 22 8.865 8.865 9.075 -0.210 18705 539 1 4 . 1 1 23 23 SER N N 23 124.886 124.886 120.051 4.835 18705 540 1 4 . 1 1 23 23 SER HA H 23 4.108 4.108 4.035 0.073 18705 541 1 4 . 1 1 23 23 SER CA C 23 58.444 58.444 58.871 -0.427 18705 542 1 4 . 1 1 23 23 SER CB C 23 62.226 62.226 62.301 -0.075 18705 543 1 4 . 1 1 23 23 SER H H 23 9.633 9.633 9.123 0.510 18705 544 1 4 . 1 1 24 24 GLY N N 24 104.151 104.151 108.156 -4.005 18705 545 1 4 . 1 1 24 24 GLY C C 24 173.429 173.429 173.842 -0.413 18705 546 1 4 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.863 0.370 18705 547 1 4 . 1 1 24 24 GLY H H 24 8.635 8.635 8.202 0.433 18705 548 1 4 . 1 1 25 25 ARG N N 25 121.072 121.072 122.153 -1.081 18705 549 1 4 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.679 -0.099 18705 550 1 4 . 1 1 25 25 ARG C C 25 174.701 174.701 175.135 -0.434 18705 551 1 4 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.197 -0.929 18705 552 1 4 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.330 0.227 18705 553 1 4 . 1 1 25 25 ARG H H 25 7.969 7.969 8.123 -0.154 18705 554 1 4 . 1 1 26 26 LEU N N 26 124.251 124.251 124.056 0.195 18705 555 1 4 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.915 -0.116 18705 556 1 4 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.262 0.675 18705 557 1 4 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.443 0.404 18705 558 1 4 . 1 1 26 26 LEU H H 26 8.161 8.161 8.507 -0.346 18705 559 1 4 . 1 1 27 27 TYR N N 27 122.809 122.809 123.913 -1.104 18705 560 1 4 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.784 0.002 18705 561 1 4 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.664 -2.565 18705 562 1 4 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.410 -1.456 18705 563 1 4 . 1 1 27 27 TYR H H 27 9.173 9.173 9.092 0.081 18705 564 1 4 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.052 -0.440 18705 565 1 4 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.856 -0.996 18705 566 1 4 . 1 1 30 30 CYS N N 30 127.797 127.797 122.406 5.391 18705 567 1 4 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.410 0.032 18705 568 1 4 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.694 -1.236 18705 569 1 4 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.640 14.512 18705 570 1 4 . 1 1 30 30 CYS H H 30 9.020 9.020 8.107 0.913 18705 571 1 4 . 1 1 31 31 CYS N N 31 120.526 120.526 123.429 -2.903 18705 572 1 4 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.459 0.308 18705 573 1 4 . 1 1 31 31 CYS C C 31 173.200 173.200 174.506 -1.306 18705 574 1 4 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.860 -2.176 18705 575 1 4 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.951 19.115 18705 576 1 4 . 1 1 31 31 CYS H H 31 9.049 9.049 9.091 -0.042 18705 577 1 5 . 1 1 2 2 THR N N 2 118.310 118.310 116.296 2.014 18705 578 1 5 . 1 1 2 2 THR HA H 2 4.398 4.398 4.640 -0.242 18705 579 1 5 . 1 1 2 2 THR CA C 2 62.489 62.489 61.483 1.006 18705 580 1 5 . 1 1 2 2 THR CB C 2 70.031 70.031 69.907 0.124 18705 581 1 5 . 1 1 2 2 THR H H 2 8.979 8.979 8.607 0.372 18705 582 1 5 . 1 1 3 3 CYS N N 3 123.108 123.108 128.404 -5.296 18705 583 1 5 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.063 0.590 18705 584 1 5 . 1 1 3 3 CYS C C 3 172.018 172.018 174.410 -2.392 18705 585 1 5 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.462 -3.393 18705 586 1 5 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.140 22.578 18705 587 1 5 . 1 1 3 3 CYS H H 3 8.541 8.541 9.167 -0.626 18705 588 1 5 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.820 -0.211 18705 589 1 5 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.436 0.182 18705 590 1 5 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.114 3.068 18705 591 1 5 . 1 1 5 5 CYS N N 5 119.803 119.803 121.782 -1.979 18705 592 1 5 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.594 -0.982 18705 593 1 5 . 1 1 5 5 CYS CA C 5 56.553 56.553 58.018 -1.465 18705 594 1 5 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.485 14.723 18705 595 1 5 . 1 1 5 5 CYS H H 5 9.195 9.195 8.783 0.412 18705 596 1 5 . 1 1 6 6 ARG N N 6 123.484 123.484 122.366 1.118 18705 597 1 5 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.018 0.315 18705 598 1 5 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.471 0.574 18705 599 1 5 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.293 8.632 18705 600 1 5 . 1 1 6 6 ARG H H 6 8.999 8.999 9.356 -0.357 18705 601 1 5 . 1 1 7 7 THR N N 7 126.371 126.371 117.686 8.685 18705 602 1 5 . 1 1 7 7 THR HA H 7 4.917 4.917 3.836 1.081 18705 603 1 5 . 1 1 7 7 THR CA C 7 62.395 62.395 60.966 1.429 18705 604 1 5 . 1 1 7 7 THR CB C 7 71.434 71.434 67.232 4.202 18705 605 1 5 . 1 1 7 7 THR H H 7 9.531 9.531 8.612 0.919 18705 606 1 5 . 1 1 8 8 GLY N N 8 112.530 112.530 110.905 1.625 18705 607 1 5 . 1 1 8 8 GLY C C 8 172.685 172.685 171.899 0.786 18705 608 1 5 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.349 0.460 18705 609 1 5 . 1 1 8 8 GLY H H 8 8.004 8.004 7.365 0.639 18705 610 1 5 . 1 1 9 9 ARG N N 9 119.486 119.486 118.709 0.777 18705 611 1 5 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.256 0.027 18705 612 1 5 . 1 1 9 9 ARG C C 9 176.627 176.627 175.410 1.217 18705 613 1 5 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.655 -0.907 18705 614 1 5 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.009 0.409 18705 615 1 5 . 1 1 9 9 ARG H H 9 8.183 8.183 8.294 -0.111 18705 616 1 5 . 1 1 10 10 CYS N N 10 116.919 116.919 119.322 -2.403 18705 617 1 5 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.596 0.278 18705 618 1 5 . 1 1 10 10 CYS C C 10 174.788 174.788 173.828 0.960 18705 619 1 5 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.040 -5.303 18705 620 1 5 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.426 5.917 18705 621 1 5 . 1 1 10 10 CYS H H 10 8.595 8.595 8.289 0.306 18705 622 1 5 . 1 1 11 11 ALA N N 11 124.805 124.805 122.543 2.262 18705 623 1 5 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.584 -0.151 18705 624 1 5 . 1 1 11 11 ALA C C 11 177.552 177.552 178.736 -1.184 18705 625 1 5 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.720 -0.339 18705 626 1 5 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.832 -0.432 18705 627 1 5 . 1 1 11 11 ALA H H 11 8.590 8.590 8.952 -0.362 18705 628 1 5 . 1 1 12 12 THR N N 12 114.885 114.885 115.459 -0.574 18705 629 1 5 . 1 1 12 12 THR HA H 12 4.002 4.002 4.033 -0.031 18705 630 1 5 . 1 1 12 12 THR C C 12 174.815 174.815 175.880 -1.065 18705 631 1 5 . 1 1 12 12 THR CA C 12 65.118 65.118 65.071 0.047 18705 632 1 5 . 1 1 12 12 THR CB C 12 68.792 68.792 68.787 0.005 18705 633 1 5 . 1 1 12 12 THR H H 12 8.238 8.238 8.453 -0.215 18705 634 1 5 . 1 1 13 13 ARG N N 13 116.842 116.842 117.796 -0.954 18705 635 1 5 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.191 -0.043 18705 636 1 5 . 1 1 13 13 ARG C C 13 175.566 175.566 176.968 -1.402 18705 637 1 5 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.076 0.516 18705 638 1 5 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.844 -1.358 18705 639 1 5 . 1 1 13 13 ARG H H 13 8.518 8.518 8.407 0.111 18705 640 1 5 . 1 1 14 14 GLU N N 14 117.264 117.264 118.200 -0.936 18705 641 1 5 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.500 0.186 18705 642 1 5 . 1 1 14 14 GLU C C 14 176.183 176.183 176.390 -0.207 18705 643 1 5 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.460 -1.815 18705 644 1 5 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.537 1.536 18705 645 1 5 . 1 1 14 14 GLU H H 14 7.855 7.855 7.480 0.375 18705 646 1 5 . 1 1 15 15 SER N N 15 114.972 114.972 114.877 0.095 18705 647 1 5 . 1 1 15 15 SER HA H 15 4.807 4.807 4.666 0.141 18705 648 1 5 . 1 1 15 15 SER C C 15 174.427 174.427 173.645 0.782 18705 649 1 5 . 1 1 15 15 SER CA C 15 56.875 56.875 56.242 0.633 18705 650 1 5 . 1 1 15 15 SER CB C 15 65.036 65.036 65.208 -0.172 18705 651 1 5 . 1 1 15 15 SER H H 15 9.273 9.273 8.794 0.479 18705 652 1 5 . 1 1 16 16 LEU N N 16 129.724 129.724 127.695 2.029 18705 653 1 5 . 1 1 16 16 LEU HA H 16 4.791 4.791 5.006 -0.215 18705 654 1 5 . 1 1 16 16 LEU C C 16 177.525 177.525 177.787 -0.262 18705 655 1 5 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.722 1.662 18705 656 1 5 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.510 -1.073 18705 657 1 5 . 1 1 16 16 LEU H H 16 9.076 9.076 8.865 0.211 18705 658 1 5 . 1 1 17 17 SER N N 17 123.451 123.451 120.853 2.598 18705 659 1 5 . 1 1 17 17 SER HA H 17 4.877 4.877 4.623 0.254 18705 660 1 5 . 1 1 17 17 SER CA C 17 58.092 58.092 58.139 -0.048 18705 661 1 5 . 1 1 17 17 SER CB C 17 65.350 65.350 64.731 0.619 18705 662 1 5 . 1 1 17 17 SER H H 17 9.387 9.387 8.942 0.445 18705 663 1 5 . 1 1 18 18 GLY N N 18 107.233 107.233 109.476 -2.243 18705 664 1 5 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.005 -0.070 18705 665 1 5 . 1 1 18 18 GLY H H 18 7.608 7.608 7.331 0.277 18705 666 1 5 . 1 1 19 19 VAL N N 19 118.833 118.833 120.562 -1.729 18705 667 1 5 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.735 0.330 18705 668 1 5 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.410 -1.096 18705 669 1 5 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.651 2.638 18705 670 1 5 . 1 1 19 19 VAL H H 19 8.692 8.692 8.321 0.371 18705 671 1 5 . 1 1 20 20 CYS N N 20 121.714 121.714 128.060 -6.346 18705 672 1 5 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.495 0.397 18705 673 1 5 . 1 1 20 20 CYS C C 20 176.328 176.328 173.710 2.618 18705 674 1 5 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.651 -5.175 18705 675 1 5 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.572 14.606 18705 676 1 5 . 1 1 20 20 CYS H H 20 8.133 8.133 9.188 -1.055 18705 677 1 5 . 1 1 22 22 ILE N N 22 124.351 124.351 125.450 -1.099 18705 678 1 5 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.427 -0.086 18705 679 1 5 . 1 1 22 22 ILE C C 22 176.380 176.380 176.086 0.294 18705 680 1 5 . 1 1 22 22 ILE CA C 22 61.260 61.260 58.917 2.343 18705 681 1 5 . 1 1 22 22 ILE CB C 22 40.877 40.877 39.579 1.298 18705 682 1 5 . 1 1 22 22 ILE H H 22 8.865 8.865 9.046 -0.181 18705 683 1 5 . 1 1 23 23 SER N N 23 124.886 124.886 122.584 2.302 18705 684 1 5 . 1 1 23 23 SER HA H 23 4.108 4.108 4.097 0.011 18705 685 1 5 . 1 1 23 23 SER CA C 23 58.444 58.444 59.259 -0.815 18705 686 1 5 . 1 1 23 23 SER CB C 23 62.226 62.226 61.316 0.910 18705 687 1 5 . 1 1 23 23 SER H H 23 9.633 9.633 9.077 0.556 18705 688 1 5 . 1 1 24 24 GLY N N 24 104.151 104.151 107.125 -2.974 18705 689 1 5 . 1 1 24 24 GLY C C 24 173.429 173.429 173.892 -0.463 18705 690 1 5 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.209 0.024 18705 691 1 5 . 1 1 24 24 GLY H H 24 8.635 8.635 8.571 0.064 18705 692 1 5 . 1 1 25 25 ARG N N 25 121.072 121.072 121.422 -0.350 18705 693 1 5 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.522 0.058 18705 694 1 5 . 1 1 25 25 ARG C C 25 174.701 174.701 175.087 -0.386 18705 695 1 5 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.511 -1.243 18705 696 1 5 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.146 0.410 18705 697 1 5 . 1 1 25 25 ARG H H 25 7.969 7.969 8.037 -0.068 18705 698 1 5 . 1 1 26 26 LEU N N 26 124.251 124.251 124.006 0.245 18705 699 1 5 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.683 0.116 18705 700 1 5 . 1 1 26 26 LEU CA C 26 55.937 55.937 54.963 0.974 18705 701 1 5 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.494 0.353 18705 702 1 5 . 1 1 26 26 LEU H H 26 8.161 8.161 8.435 -0.274 18705 703 1 5 . 1 1 27 27 TYR N N 27 122.809 122.809 124.165 -1.356 18705 704 1 5 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.668 0.118 18705 705 1 5 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.384 -3.285 18705 706 1 5 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.773 -1.819 18705 707 1 5 . 1 1 27 27 TYR H H 27 9.173 9.173 8.797 0.376 18705 708 1 5 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.245 -0.633 18705 709 1 5 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.492 -1.632 18705 710 1 5 . 1 1 30 30 CYS N N 30 127.797 127.797 122.424 5.373 18705 711 1 5 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.430 0.012 18705 712 1 5 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.858 -1.400 18705 713 1 5 . 1 1 30 30 CYS CB C 30 43.152 43.152 29.062 14.090 18705 714 1 5 . 1 1 30 30 CYS H H 30 9.020 9.020 8.230 0.790 18705 715 1 5 . 1 1 31 31 CYS N N 31 120.526 120.526 122.984 -2.458 18705 716 1 5 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.338 0.429 18705 717 1 5 . 1 1 31 31 CYS C C 31 173.200 173.200 174.530 -1.330 18705 718 1 5 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.856 -2.172 18705 719 1 5 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.069 18.997 18705 720 1 5 . 1 1 31 31 CYS H H 31 9.049 9.049 9.049 -0.000 18705 721 1 6 . 1 1 2 2 THR N N 2 118.310 118.310 116.149 2.161 18705 722 1 6 . 1 1 2 2 THR HA H 2 4.398 4.398 4.641 -0.243 18705 723 1 6 . 1 1 2 2 THR CA C 2 62.489 62.489 61.982 0.507 18705 724 1 6 . 1 1 2 2 THR CB C 2 70.031 70.031 69.596 0.435 18705 725 1 6 . 1 1 2 2 THR H H 2 8.979 8.979 8.450 0.529 18705 726 1 6 . 1 1 3 3 CYS N N 3 123.108 123.108 128.506 -5.398 18705 727 1 6 . 1 1 3 3 CYS HA H 3 5.653 5.653 4.999 0.654 18705 728 1 6 . 1 1 3 3 CYS C C 3 172.018 172.018 174.606 -2.588 18705 729 1 6 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.377 -3.308 18705 730 1 6 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.333 22.385 18705 731 1 6 . 1 1 3 3 CYS H H 3 8.541 8.541 9.146 -0.605 18705 732 1 6 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.832 -0.223 18705 733 1 6 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.390 0.228 18705 734 1 6 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.150 3.033 18705 735 1 6 . 1 1 5 5 CYS N N 5 119.803 119.803 121.329 -1.526 18705 736 1 6 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.637 -1.025 18705 737 1 6 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.963 -1.410 18705 738 1 6 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.722 14.486 18705 739 1 6 . 1 1 5 5 CYS H H 5 9.195 9.195 8.763 0.432 18705 740 1 6 . 1 1 6 6 ARG N N 6 123.484 123.484 122.431 1.053 18705 741 1 6 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.985 0.348 18705 742 1 6 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.526 0.519 18705 743 1 6 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.307 8.618 18705 744 1 6 . 1 1 6 6 ARG H H 6 8.999 8.999 9.140 -0.141 18705 745 1 6 . 1 1 7 7 THR N N 7 126.371 126.371 117.486 8.885 18705 746 1 6 . 1 1 7 7 THR HA H 7 4.917 4.917 3.627 1.290 18705 747 1 6 . 1 1 7 7 THR CA C 7 62.395 62.395 60.882 1.513 18705 748 1 6 . 1 1 7 7 THR CB C 7 71.434 71.434 67.226 4.208 18705 749 1 6 . 1 1 7 7 THR H H 7 9.531 9.531 8.610 0.921 18705 750 1 6 . 1 1 8 8 GLY N N 8 112.530 112.530 111.215 1.315 18705 751 1 6 . 1 1 8 8 GLY C C 8 172.685 172.685 171.763 0.922 18705 752 1 6 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.437 0.372 18705 753 1 6 . 1 1 8 8 GLY H H 8 8.004 8.004 7.319 0.685 18705 754 1 6 . 1 1 9 9 ARG N N 9 119.486 119.486 119.324 0.162 18705 755 1 6 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.292 -0.009 18705 756 1 6 . 1 1 9 9 ARG C C 9 176.627 176.627 174.984 1.643 18705 757 1 6 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.821 -1.073 18705 758 1 6 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.322 0.096 18705 759 1 6 . 1 1 9 9 ARG H H 9 8.183 8.183 8.355 -0.172 18705 760 1 6 . 1 1 10 10 CYS N N 10 116.919 116.919 120.522 -3.603 18705 761 1 6 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.584 0.290 18705 762 1 6 . 1 1 10 10 CYS C C 10 174.788 174.788 174.156 0.632 18705 763 1 6 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.063 -5.326 18705 764 1 6 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.627 6.716 18705 765 1 6 . 1 1 10 10 CYS H H 10 8.595 8.595 8.222 0.373 18705 766 1 6 . 1 1 11 11 ALA N N 11 124.805 124.805 122.126 2.679 18705 767 1 6 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.617 -0.184 18705 768 1 6 . 1 1 11 11 ALA C C 11 177.552 177.552 178.779 -1.227 18705 769 1 6 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.623 -0.242 18705 770 1 6 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.914 -0.514 18705 771 1 6 . 1 1 11 11 ALA H H 11 8.590 8.590 9.005 -0.415 18705 772 1 6 . 1 1 12 12 THR N N 12 114.885 114.885 115.458 -0.573 18705 773 1 6 . 1 1 12 12 THR HA H 12 4.002 4.002 4.020 -0.018 18705 774 1 6 . 1 1 12 12 THR C C 12 174.815 174.815 175.807 -0.992 18705 775 1 6 . 1 1 12 12 THR CA C 12 65.118 65.118 65.201 -0.083 18705 776 1 6 . 1 1 12 12 THR CB C 12 68.792 68.792 68.792 -0.000 18705 777 1 6 . 1 1 12 12 THR H H 12 8.238 8.238 8.442 -0.204 18705 778 1 6 . 1 1 13 13 ARG N N 13 116.842 116.842 117.797 -0.955 18705 779 1 6 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.190 -0.042 18705 780 1 6 . 1 1 13 13 ARG C C 13 175.566 175.566 176.904 -1.338 18705 781 1 6 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.036 0.556 18705 782 1 6 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.762 -1.276 18705 783 1 6 . 1 1 13 13 ARG H H 13 8.518 8.518 8.427 0.091 18705 784 1 6 . 1 1 14 14 GLU N N 14 117.264 117.264 118.387 -1.123 18705 785 1 6 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.545 0.141 18705 786 1 6 . 1 1 14 14 GLU C C 14 176.183 176.183 176.256 -0.073 18705 787 1 6 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.327 -1.682 18705 788 1 6 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.589 1.484 18705 789 1 6 . 1 1 14 14 GLU H H 14 7.855 7.855 7.441 0.414 18705 790 1 6 . 1 1 15 15 SER N N 15 114.972 114.972 114.347 0.625 18705 791 1 6 . 1 1 15 15 SER HA H 15 4.807 4.807 4.671 0.136 18705 792 1 6 . 1 1 15 15 SER C C 15 174.427 174.427 173.796 0.631 18705 793 1 6 . 1 1 15 15 SER CA C 15 56.875 56.875 57.003 -0.128 18705 794 1 6 . 1 1 15 15 SER CB C 15 65.036 65.036 65.608 -0.572 18705 795 1 6 . 1 1 15 15 SER H H 15 9.273 9.273 8.807 0.466 18705 796 1 6 . 1 1 16 16 LEU N N 16 129.724 129.724 127.432 2.292 18705 797 1 6 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.984 -0.193 18705 798 1 6 . 1 1 16 16 LEU C C 16 177.525 177.525 177.643 -0.118 18705 799 1 6 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.802 1.582 18705 800 1 6 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.299 -0.862 18705 801 1 6 . 1 1 16 16 LEU H H 16 9.076 9.076 8.886 0.190 18705 802 1 6 . 1 1 17 17 SER N N 17 123.451 123.451 120.935 2.516 18705 803 1 6 . 1 1 17 17 SER HA H 17 4.877 4.877 4.645 0.232 18705 804 1 6 . 1 1 17 17 SER CA C 17 58.092 58.092 58.038 0.054 18705 805 1 6 . 1 1 17 17 SER CB C 17 65.350 65.350 64.814 0.536 18705 806 1 6 . 1 1 17 17 SER H H 17 9.387 9.387 9.087 0.300 18705 807 1 6 . 1 1 18 18 GLY N N 18 107.233 107.233 109.467 -2.234 18705 808 1 6 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.102 -0.167 18705 809 1 6 . 1 1 18 18 GLY H H 18 7.608 7.608 7.279 0.329 18705 810 1 6 . 1 1 19 19 VAL N N 19 118.833 118.833 120.197 -1.364 18705 811 1 6 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.808 0.257 18705 812 1 6 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.540 -1.226 18705 813 1 6 . 1 1 19 19 VAL CB C 19 35.289 35.289 33.134 2.155 18705 814 1 6 . 1 1 19 19 VAL H H 19 8.692 8.692 8.256 0.436 18705 815 1 6 . 1 1 20 20 CYS N N 20 121.714 121.714 128.066 -6.352 18705 816 1 6 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.565 0.327 18705 817 1 6 . 1 1 20 20 CYS C C 20 176.328 176.328 173.621 2.707 18705 818 1 6 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.185 -4.709 18705 819 1 6 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.207 13.971 18705 820 1 6 . 1 1 20 20 CYS H H 20 8.133 8.133 9.230 -1.097 18705 821 1 6 . 1 1 22 22 ILE N N 22 124.351 124.351 124.709 -0.358 18705 822 1 6 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.315 0.026 18705 823 1 6 . 1 1 22 22 ILE C C 22 176.380 176.380 175.559 0.821 18705 824 1 6 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.376 0.884 18705 825 1 6 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.914 -0.037 18705 826 1 6 . 1 1 22 22 ILE H H 22 8.865 8.865 9.117 -0.252 18705 827 1 6 . 1 1 23 23 SER N N 23 124.886 124.886 123.475 1.411 18705 828 1 6 . 1 1 23 23 SER HA H 23 4.108 4.108 4.139 -0.031 18705 829 1 6 . 1 1 23 23 SER CA C 23 58.444 58.444 58.719 -0.275 18705 830 1 6 . 1 1 23 23 SER CB C 23 62.226 62.226 61.816 0.410 18705 831 1 6 . 1 1 23 23 SER H H 23 9.633 9.633 8.950 0.683 18705 832 1 6 . 1 1 24 24 GLY N N 24 104.151 104.151 106.218 -2.067 18705 833 1 6 . 1 1 24 24 GLY C C 24 173.429 173.429 174.001 -0.572 18705 834 1 6 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.417 -0.184 18705 835 1 6 . 1 1 24 24 GLY H H 24 8.635 8.635 8.633 0.002 18705 836 1 6 . 1 1 25 25 ARG N N 25 121.072 121.072 121.461 -0.389 18705 837 1 6 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.724 -0.144 18705 838 1 6 . 1 1 25 25 ARG C C 25 174.701 174.701 174.925 -0.224 18705 839 1 6 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.810 -0.542 18705 840 1 6 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.457 0.099 18705 841 1 6 . 1 1 25 25 ARG H H 25 7.969 7.969 7.874 0.095 18705 842 1 6 . 1 1 26 26 LEU N N 26 124.251 124.251 124.683 -0.432 18705 843 1 6 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.892 -0.093 18705 844 1 6 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.370 0.567 18705 845 1 6 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.569 0.278 18705 846 1 6 . 1 1 26 26 LEU H H 26 8.161 8.161 8.585 -0.424 18705 847 1 6 . 1 1 27 27 TYR N N 27 122.809 122.809 123.022 -0.213 18705 848 1 6 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.823 -0.037 18705 849 1 6 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.699 -2.600 18705 850 1 6 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.524 -1.570 18705 851 1 6 . 1 1 27 27 TYR H H 27 9.173 9.173 9.062 0.111 18705 852 1 6 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.038 -0.426 18705 853 1 6 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.665 -0.805 18705 854 1 6 . 1 1 30 30 CYS N N 30 127.797 127.797 122.300 5.497 18705 855 1 6 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.423 0.019 18705 856 1 6 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.671 -1.213 18705 857 1 6 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.548 14.604 18705 858 1 6 . 1 1 30 30 CYS H H 30 9.020 9.020 8.113 0.907 18705 859 1 6 . 1 1 31 31 CYS N N 31 120.526 120.526 123.563 -3.037 18705 860 1 6 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.336 0.431 18705 861 1 6 . 1 1 31 31 CYS C C 31 173.200 173.200 174.461 -1.261 18705 862 1 6 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.897 -2.213 18705 863 1 6 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.818 19.248 18705 864 1 6 . 1 1 31 31 CYS H H 31 9.049 9.049 9.053 -0.004 18705 865 1 7 . 1 1 2 2 THR N N 2 118.310 118.310 116.444 1.866 18705 866 1 7 . 1 1 2 2 THR HA H 2 4.398 4.398 4.665 -0.267 18705 867 1 7 . 1 1 2 2 THR CA C 2 62.489 62.489 61.614 0.875 18705 868 1 7 . 1 1 2 2 THR CB C 2 70.031 70.031 70.003 0.028 18705 869 1 7 . 1 1 2 2 THR H H 2 8.979 8.979 8.768 0.211 18705 870 1 7 . 1 1 3 3 CYS N N 3 123.108 123.108 128.297 -5.189 18705 871 1 7 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.093 0.560 18705 872 1 7 . 1 1 3 3 CYS C C 3 172.018 172.018 174.365 -2.347 18705 873 1 7 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.376 -3.307 18705 874 1 7 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.216 22.502 18705 875 1 7 . 1 1 3 3 CYS H H 3 8.541 8.541 9.160 -0.619 18705 876 1 7 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.835 -0.226 18705 877 1 7 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.394 0.224 18705 878 1 7 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.145 3.037 18705 879 1 7 . 1 1 5 5 CYS N N 5 119.803 119.803 121.297 -1.494 18705 880 1 7 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.664 -1.052 18705 881 1 7 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.846 -1.293 18705 882 1 7 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.696 14.512 18705 883 1 7 . 1 1 5 5 CYS H H 5 9.195 9.195 8.752 0.443 18705 884 1 7 . 1 1 6 6 ARG N N 6 123.484 123.484 122.325 1.159 18705 885 1 7 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.006 0.327 18705 886 1 7 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.517 0.527 18705 887 1 7 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.255 8.671 18705 888 1 7 . 1 1 6 6 ARG H H 6 8.999 8.999 9.225 -0.226 18705 889 1 7 . 1 1 7 7 THR N N 7 126.371 126.371 117.399 8.972 18705 890 1 7 . 1 1 7 7 THR HA H 7 4.917 4.917 3.563 1.354 18705 891 1 7 . 1 1 7 7 THR CA C 7 62.395 62.395 61.208 1.187 18705 892 1 7 . 1 1 7 7 THR CB C 7 71.434 71.434 67.469 3.965 18705 893 1 7 . 1 1 7 7 THR H H 7 9.531 9.531 8.709 0.822 18705 894 1 7 . 1 1 8 8 GLY N N 8 112.530 112.530 110.685 1.845 18705 895 1 7 . 1 1 8 8 GLY C C 8 172.685 172.685 172.079 0.606 18705 896 1 7 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.658 0.151 18705 897 1 7 . 1 1 8 8 GLY H H 8 8.004 8.004 7.494 0.510 18705 898 1 7 . 1 1 9 9 ARG N N 9 119.486 119.486 119.126 0.360 18705 899 1 7 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.402 -0.119 18705 900 1 7 . 1 1 9 9 ARG C C 9 176.627 176.627 175.310 1.317 18705 901 1 7 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.614 -0.865 18705 902 1 7 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.669 -0.251 18705 903 1 7 . 1 1 9 9 ARG H H 9 8.183 8.183 8.362 -0.179 18705 904 1 7 . 1 1 10 10 CYS N N 10 116.919 116.919 117.102 -0.183 18705 905 1 7 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.534 0.340 18705 906 1 7 . 1 1 10 10 CYS C C 10 174.788 174.788 174.233 0.555 18705 907 1 7 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.035 -5.298 18705 908 1 7 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.960 6.383 18705 909 1 7 . 1 1 10 10 CYS H H 10 8.595 8.595 8.163 0.432 18705 910 1 7 . 1 1 11 11 ALA N N 11 124.805 124.805 122.496 2.309 18705 911 1 7 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.563 -0.130 18705 912 1 7 . 1 1 11 11 ALA C C 11 177.552 177.552 178.739 -1.187 18705 913 1 7 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.721 -0.340 18705 914 1 7 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.549 -0.149 18705 915 1 7 . 1 1 11 11 ALA H H 11 8.590 8.590 8.718 -0.128 18705 916 1 7 . 1 1 12 12 THR N N 12 114.885 114.885 115.474 -0.589 18705 917 1 7 . 1 1 12 12 THR HA H 12 4.002 4.002 4.064 -0.062 18705 918 1 7 . 1 1 12 12 THR C C 12 174.815 174.815 175.574 -0.759 18705 919 1 7 . 1 1 12 12 THR CA C 12 65.118 65.118 65.515 -0.397 18705 920 1 7 . 1 1 12 12 THR CB C 12 68.792 68.792 68.796 -0.004 18705 921 1 7 . 1 1 12 12 THR H H 12 8.238 8.238 8.471 -0.233 18705 922 1 7 . 1 1 13 13 ARG N N 13 116.842 116.842 118.183 -1.341 18705 923 1 7 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.213 -0.065 18705 924 1 7 . 1 1 13 13 ARG C C 13 175.566 175.566 177.036 -1.470 18705 925 1 7 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.135 0.457 18705 926 1 7 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.957 -1.471 18705 927 1 7 . 1 1 13 13 ARG H H 13 8.518 8.518 8.345 0.173 18705 928 1 7 . 1 1 14 14 GLU N N 14 117.264 117.264 118.131 -0.867 18705 929 1 7 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.412 0.274 18705 930 1 7 . 1 1 14 14 GLU C C 14 176.183 176.183 176.340 -0.157 18705 931 1 7 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.414 -1.769 18705 932 1 7 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.555 1.518 18705 933 1 7 . 1 1 14 14 GLU H H 14 7.855 7.855 7.451 0.404 18705 934 1 7 . 1 1 15 15 SER N N 15 114.972 114.972 114.689 0.283 18705 935 1 7 . 1 1 15 15 SER HA H 15 4.807 4.807 4.643 0.164 18705 936 1 7 . 1 1 15 15 SER C C 15 174.427 174.427 173.484 0.943 18705 937 1 7 . 1 1 15 15 SER CA C 15 56.875 56.875 56.686 0.189 18705 938 1 7 . 1 1 15 15 SER CB C 15 65.036 65.036 65.424 -0.388 18705 939 1 7 . 1 1 15 15 SER H H 15 9.273 9.273 8.760 0.513 18705 940 1 7 . 1 1 16 16 LEU N N 16 129.724 129.724 127.183 2.541 18705 941 1 7 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.869 -0.078 18705 942 1 7 . 1 1 16 16 LEU C C 16 177.525 177.525 177.860 -0.335 18705 943 1 7 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.918 1.466 18705 944 1 7 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.323 -0.886 18705 945 1 7 . 1 1 16 16 LEU H H 16 9.076 9.076 8.880 0.196 18705 946 1 7 . 1 1 17 17 SER N N 17 123.451 123.451 120.580 2.871 18705 947 1 7 . 1 1 17 17 SER HA H 17 4.877 4.877 4.648 0.229 18705 948 1 7 . 1 1 17 17 SER CA C 17 58.092 58.092 58.051 0.041 18705 949 1 7 . 1 1 17 17 SER CB C 17 65.350 65.350 64.842 0.508 18705 950 1 7 . 1 1 17 17 SER H H 17 9.387 9.387 9.145 0.242 18705 951 1 7 . 1 1 18 18 GLY N N 18 107.233 107.233 109.894 -2.661 18705 952 1 7 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.276 -0.341 18705 953 1 7 . 1 1 18 18 GLY H H 18 7.608 7.608 7.330 0.278 18705 954 1 7 . 1 1 19 19 VAL N N 19 118.833 118.833 120.701 -1.868 18705 955 1 7 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.830 0.235 18705 956 1 7 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.915 -0.601 18705 957 1 7 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.378 2.911 18705 958 1 7 . 1 1 19 19 VAL H H 19 8.692 8.692 8.225 0.467 18705 959 1 7 . 1 1 20 20 CYS N N 20 121.714 121.714 127.931 -6.217 18705 960 1 7 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.488 0.404 18705 961 1 7 . 1 1 20 20 CYS C C 20 176.328 176.328 173.777 2.551 18705 962 1 7 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.834 -5.358 18705 963 1 7 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.571 13.607 18705 964 1 7 . 1 1 20 20 CYS H H 20 8.133 8.133 9.181 -1.048 18705 965 1 7 . 1 1 22 22 ILE N N 22 124.351 124.351 123.611 0.740 18705 966 1 7 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.338 0.003 18705 967 1 7 . 1 1 22 22 ILE C C 22 176.380 176.380 176.027 0.353 18705 968 1 7 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.065 1.196 18705 969 1 7 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.857 0.020 18705 970 1 7 . 1 1 22 22 ILE H H 22 8.865 8.865 9.056 -0.191 18705 971 1 7 . 1 1 23 23 SER N N 23 124.886 124.886 123.018 1.868 18705 972 1 7 . 1 1 23 23 SER HA H 23 4.108 4.108 4.068 0.040 18705 973 1 7 . 1 1 23 23 SER CA C 23 58.444 58.444 59.075 -0.631 18705 974 1 7 . 1 1 23 23 SER CB C 23 62.226 62.226 62.383 -0.157 18705 975 1 7 . 1 1 23 23 SER H H 23 9.633 9.633 9.228 0.405 18705 976 1 7 . 1 1 24 24 GLY N N 24 104.151 104.151 107.154 -3.003 18705 977 1 7 . 1 1 24 24 GLY C C 24 173.429 173.429 173.769 -0.340 18705 978 1 7 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.042 0.191 18705 979 1 7 . 1 1 24 24 GLY H H 24 8.635 8.635 8.423 0.212 18705 980 1 7 . 1 1 25 25 ARG N N 25 121.072 121.072 120.951 0.121 18705 981 1 7 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.734 -0.154 18705 982 1 7 . 1 1 25 25 ARG C C 25 174.701 174.701 175.124 -0.423 18705 983 1 7 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.632 -0.364 18705 984 1 7 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.636 -0.080 18705 985 1 7 . 1 1 25 25 ARG H H 25 7.969 7.969 8.090 -0.121 18705 986 1 7 . 1 1 26 26 LEU N N 26 124.251 124.251 126.120 -1.869 18705 987 1 7 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.669 0.130 18705 988 1 7 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.557 0.380 18705 989 1 7 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.318 0.529 18705 990 1 7 . 1 1 26 26 LEU H H 26 8.161 8.161 8.638 -0.477 18705 991 1 7 . 1 1 27 27 TYR N N 27 122.809 122.809 123.798 -0.989 18705 992 1 7 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.806 -0.020 18705 993 1 7 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.898 -2.799 18705 994 1 7 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.748 -1.794 18705 995 1 7 . 1 1 27 27 TYR H H 27 9.173 9.173 9.271 -0.098 18705 996 1 7 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.082 -0.470 18705 997 1 7 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.745 -0.885 18705 998 1 7 . 1 1 30 30 CYS N N 30 127.797 127.797 122.215 5.582 18705 999 1 7 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.387 0.055 18705 1000 1 7 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.660 -1.202 18705 1001 1 7 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.422 14.730 18705 1002 1 7 . 1 1 30 30 CYS H H 30 9.020 9.020 8.090 0.930 18705 1003 1 7 . 1 1 31 31 CYS N N 31 120.526 120.526 123.688 -3.162 18705 1004 1 7 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.346 0.421 18705 1005 1 7 . 1 1 31 31 CYS C C 31 173.200 173.200 174.327 -1.127 18705 1006 1 7 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.802 -2.118 18705 1007 1 7 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.714 19.352 18705 1008 1 7 . 1 1 31 31 CYS H H 31 9.049 9.049 9.070 -0.021 18705 1009 1 8 . 1 1 2 2 THR N N 2 118.310 118.310 116.195 2.115 18705 1010 1 8 . 1 1 2 2 THR HA H 2 4.398 4.398 4.711 -0.313 18705 1011 1 8 . 1 1 2 2 THR CA C 2 62.489 62.489 61.533 0.956 18705 1012 1 8 . 1 1 2 2 THR CB C 2 70.031 70.031 69.459 0.572 18705 1013 1 8 . 1 1 2 2 THR H H 2 8.979 8.979 8.422 0.557 18705 1014 1 8 . 1 1 3 3 CYS N N 3 123.108 123.108 128.302 -5.194 18705 1015 1 8 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.182 0.471 18705 1016 1 8 . 1 1 3 3 CYS C C 3 172.018 172.018 174.359 -2.341 18705 1017 1 8 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.338 -3.269 18705 1018 1 8 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.535 22.183 18705 1019 1 8 . 1 1 3 3 CYS H H 3 8.541 8.541 9.145 -0.604 18705 1020 1 8 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.847 -0.238 18705 1021 1 8 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.436 0.182 18705 1022 1 8 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.129 3.053 18705 1023 1 8 . 1 1 5 5 CYS N N 5 119.803 119.803 121.298 -1.495 18705 1024 1 8 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.688 -1.076 18705 1025 1 8 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.891 -1.337 18705 1026 1 8 . 1 1 5 5 CYS CB C 5 42.208 42.208 28.037 14.171 18705 1027 1 8 . 1 1 5 5 CYS H H 5 9.195 9.195 8.763 0.432 18705 1028 1 8 . 1 1 6 6 ARG N N 6 123.484 123.484 122.296 1.188 18705 1029 1 8 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.039 0.294 18705 1030 1 8 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.785 0.260 18705 1031 1 8 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.384 8.541 18705 1032 1 8 . 1 1 6 6 ARG H H 6 8.999 8.999 9.194 -0.195 18705 1033 1 8 . 1 1 7 7 THR N N 7 126.371 126.371 118.472 7.899 18705 1034 1 8 . 1 1 7 7 THR HA H 7 4.917 4.917 3.344 1.573 18705 1035 1 8 . 1 1 7 7 THR CA C 7 62.395 62.395 62.483 -0.087 18705 1036 1 8 . 1 1 7 7 THR CB C 7 71.434 71.434 67.377 4.057 18705 1037 1 8 . 1 1 7 7 THR H H 7 9.531 9.531 8.691 0.840 18705 1038 1 8 . 1 1 8 8 GLY N N 8 112.530 112.530 110.110 2.420 18705 1039 1 8 . 1 1 8 8 GLY C C 8 172.685 172.685 172.099 0.586 18705 1040 1 8 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.641 0.168 18705 1041 1 8 . 1 1 8 8 GLY H H 8 8.004 8.004 7.572 0.432 18705 1042 1 8 . 1 1 9 9 ARG N N 9 119.486 119.486 118.995 0.491 18705 1043 1 8 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.429 -0.146 18705 1044 1 8 . 1 1 9 9 ARG C C 9 176.627 176.627 175.570 1.057 18705 1045 1 8 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.532 -0.784 18705 1046 1 8 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.646 -0.228 18705 1047 1 8 . 1 1 9 9 ARG H H 9 8.183 8.183 8.354 -0.171 18705 1048 1 8 . 1 1 10 10 CYS N N 10 116.919 116.919 117.223 -0.304 18705 1049 1 8 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.550 0.324 18705 1050 1 8 . 1 1 10 10 CYS C C 10 174.788 174.788 174.356 0.432 18705 1051 1 8 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.190 -5.453 18705 1052 1 8 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.688 6.655 18705 1053 1 8 . 1 1 10 10 CYS H H 10 8.595 8.595 8.206 0.389 18705 1054 1 8 . 1 1 11 11 ALA N N 11 124.805 124.805 121.724 3.081 18705 1055 1 8 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.638 -0.205 18705 1056 1 8 . 1 1 11 11 ALA C C 11 177.552 177.552 178.529 -0.977 18705 1057 1 8 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.591 -0.210 18705 1058 1 8 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.622 -0.222 18705 1059 1 8 . 1 1 11 11 ALA H H 11 8.590 8.590 8.659 -0.069 18705 1060 1 8 . 1 1 12 12 THR N N 12 114.885 114.885 115.444 -0.559 18705 1061 1 8 . 1 1 12 12 THR HA H 12 4.002 4.002 4.059 -0.057 18705 1062 1 8 . 1 1 12 12 THR C C 12 174.815 174.815 175.586 -0.771 18705 1063 1 8 . 1 1 12 12 THR CA C 12 65.118 65.118 65.281 -0.163 18705 1064 1 8 . 1 1 12 12 THR CB C 12 68.792 68.792 68.747 0.045 18705 1065 1 8 . 1 1 12 12 THR H H 12 8.238 8.238 8.467 -0.229 18705 1066 1 8 . 1 1 13 13 ARG N N 13 116.842 116.842 117.829 -0.987 18705 1067 1 8 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.180 -0.032 18705 1068 1 8 . 1 1 13 13 ARG C C 13 175.566 175.566 176.834 -1.268 18705 1069 1 8 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.030 0.562 18705 1070 1 8 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.780 -1.294 18705 1071 1 8 . 1 1 13 13 ARG H H 13 8.518 8.518 8.398 0.120 18705 1072 1 8 . 1 1 14 14 GLU N N 14 117.264 117.264 118.361 -1.097 18705 1073 1 8 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.560 0.126 18705 1074 1 8 . 1 1 14 14 GLU C C 14 176.183 176.183 176.305 -0.122 18705 1075 1 8 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.369 -1.724 18705 1076 1 8 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.514 1.559 18705 1077 1 8 . 1 1 14 14 GLU H H 14 7.855 7.855 7.435 0.420 18705 1078 1 8 . 1 1 15 15 SER N N 15 114.972 114.972 114.673 0.299 18705 1079 1 8 . 1 1 15 15 SER HA H 15 4.807 4.807 4.700 0.107 18705 1080 1 8 . 1 1 15 15 SER C C 15 174.427 174.427 173.835 0.592 18705 1081 1 8 . 1 1 15 15 SER CA C 15 56.875 56.875 56.920 -0.045 18705 1082 1 8 . 1 1 15 15 SER CB C 15 65.036 65.036 65.538 -0.502 18705 1083 1 8 . 1 1 15 15 SER H H 15 9.273 9.273 8.982 0.291 18705 1084 1 8 . 1 1 16 16 LEU N N 16 129.724 129.724 127.481 2.243 18705 1085 1 8 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.923 -0.132 18705 1086 1 8 . 1 1 16 16 LEU C C 16 177.525 177.525 177.758 -0.233 18705 1087 1 8 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.985 1.399 18705 1088 1 8 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.191 -0.754 18705 1089 1 8 . 1 1 16 16 LEU H H 16 9.076 9.076 8.906 0.170 18705 1090 1 8 . 1 1 17 17 SER N N 17 123.451 123.451 121.105 2.346 18705 1091 1 8 . 1 1 17 17 SER HA H 17 4.877 4.877 4.644 0.233 18705 1092 1 8 . 1 1 17 17 SER CA C 17 58.092 58.092 58.160 -0.068 18705 1093 1 8 . 1 1 17 17 SER CB C 17 65.350 65.350 65.051 0.299 18705 1094 1 8 . 1 1 17 17 SER H H 17 9.387 9.387 9.075 0.312 18705 1095 1 8 . 1 1 18 18 GLY N N 18 107.233 107.233 109.912 -2.679 18705 1096 1 8 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.160 -0.225 18705 1097 1 8 . 1 1 18 18 GLY H H 18 7.608 7.608 7.306 0.302 18705 1098 1 8 . 1 1 19 19 VAL N N 19 118.833 118.833 119.868 -1.035 18705 1099 1 8 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.727 0.338 18705 1100 1 8 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.083 -0.769 18705 1101 1 8 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.804 2.485 18705 1102 1 8 . 1 1 19 19 VAL H H 19 8.692 8.692 8.285 0.407 18705 1103 1 8 . 1 1 20 20 CYS N N 20 121.714 121.714 128.141 -6.427 18705 1104 1 8 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.544 0.348 18705 1105 1 8 . 1 1 20 20 CYS C C 20 176.328 176.328 173.826 2.502 18705 1106 1 8 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.375 -4.899 18705 1107 1 8 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.267 13.911 18705 1108 1 8 . 1 1 20 20 CYS H H 20 8.133 8.133 9.136 -1.003 18705 1109 1 8 . 1 1 22 22 ILE N N 22 124.351 124.351 123.133 1.218 18705 1110 1 8 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.366 -0.025 18705 1111 1 8 . 1 1 22 22 ILE C C 22 176.380 176.380 175.839 0.541 18705 1112 1 8 . 1 1 22 22 ILE CA C 22 61.260 61.260 59.164 2.096 18705 1113 1 8 . 1 1 22 22 ILE CB C 22 40.877 40.877 39.728 1.149 18705 1114 1 8 . 1 1 22 22 ILE H H 22 8.865 8.865 9.023 -0.158 18705 1115 1 8 . 1 1 23 23 SER N N 23 124.886 124.886 120.948 3.938 18705 1116 1 8 . 1 1 23 23 SER HA H 23 4.108 4.108 4.067 0.041 18705 1117 1 8 . 1 1 23 23 SER CA C 23 58.444 58.444 58.800 -0.356 18705 1118 1 8 . 1 1 23 23 SER CB C 23 62.226 62.226 62.438 -0.212 18705 1119 1 8 . 1 1 23 23 SER H H 23 9.633 9.633 9.033 0.600 18705 1120 1 8 . 1 1 24 24 GLY N N 24 104.151 104.151 107.150 -2.999 18705 1121 1 8 . 1 1 24 24 GLY C C 24 173.429 173.429 174.205 -0.776 18705 1122 1 8 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.836 0.397 18705 1123 1 8 . 1 1 24 24 GLY H H 24 8.635 8.635 8.195 0.440 18705 1124 1 8 . 1 1 25 25 ARG N N 25 121.072 121.072 121.526 -0.454 18705 1125 1 8 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.537 0.043 18705 1126 1 8 . 1 1 25 25 ARG C C 25 174.701 174.701 175.595 -0.894 18705 1127 1 8 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.638 -1.370 18705 1128 1 8 . 1 1 25 25 ARG CB C 25 32.556 32.556 31.828 0.728 18705 1129 1 8 . 1 1 25 25 ARG H H 25 7.969 7.969 8.046 -0.077 18705 1130 1 8 . 1 1 26 26 LEU N N 26 124.251 124.251 124.878 -0.627 18705 1131 1 8 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.584 0.215 18705 1132 1 8 . 1 1 26 26 LEU CA C 26 55.937 55.937 54.664 1.273 18705 1133 1 8 . 1 1 26 26 LEU CB C 26 42.847 42.847 41.510 1.337 18705 1134 1 8 . 1 1 26 26 LEU H H 26 8.161 8.161 8.463 -0.302 18705 1135 1 8 . 1 1 27 27 TYR N N 27 122.809 122.809 122.086 0.723 18705 1136 1 8 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.792 -0.006 18705 1137 1 8 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.806 -2.708 18705 1138 1 8 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.764 -1.810 18705 1139 1 8 . 1 1 27 27 TYR H H 27 9.173 9.173 9.095 0.078 18705 1140 1 8 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.106 -0.494 18705 1141 1 8 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.053 -1.193 18705 1142 1 8 . 1 1 30 30 CYS N N 30 127.797 127.797 122.429 5.368 18705 1143 1 8 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.429 0.013 18705 1144 1 8 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.717 -1.259 18705 1145 1 8 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.858 14.293 18705 1146 1 8 . 1 1 30 30 CYS H H 30 9.020 9.020 8.128 0.892 18705 1147 1 8 . 1 1 31 31 CYS N N 31 120.526 120.526 122.671 -2.145 18705 1148 1 8 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.417 0.350 18705 1149 1 8 . 1 1 31 31 CYS C C 31 173.200 173.200 174.315 -1.115 18705 1150 1 8 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.833 -2.149 18705 1151 1 8 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.527 18.539 18705 1152 1 8 . 1 1 31 31 CYS H H 31 9.049 9.049 9.056 -0.007 18705 1153 1 9 . 1 1 2 2 THR N N 2 118.310 118.310 116.036 2.274 18705 1154 1 9 . 1 1 2 2 THR HA H 2 4.398 4.398 4.720 -0.322 18705 1155 1 9 . 1 1 2 2 THR CA C 2 62.489 62.489 61.511 0.978 18705 1156 1 9 . 1 1 2 2 THR CB C 2 70.031 70.031 69.550 0.481 18705 1157 1 9 . 1 1 2 2 THR H H 2 8.979 8.979 8.462 0.517 18705 1158 1 9 . 1 1 3 3 CYS N N 3 123.108 123.108 128.270 -5.162 18705 1159 1 9 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.203 0.450 18705 1160 1 9 . 1 1 3 3 CYS C C 3 172.018 172.018 174.387 -2.369 18705 1161 1 9 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.319 -3.250 18705 1162 1 9 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.526 22.192 18705 1163 1 9 . 1 1 3 3 CYS H H 3 8.541 8.541 9.142 -0.601 18705 1164 1 9 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.845 -0.236 18705 1165 1 9 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.404 0.214 18705 1166 1 9 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.198 2.984 18705 1167 1 9 . 1 1 5 5 CYS N N 5 119.803 119.803 120.753 -0.950 18705 1168 1 9 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.452 -0.840 18705 1169 1 9 . 1 1 5 5 CYS CA C 5 56.553 56.553 58.017 -1.464 18705 1170 1 9 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.189 15.019 18705 1171 1 9 . 1 1 5 5 CYS H H 5 9.195 9.195 8.551 0.644 18705 1172 1 9 . 1 1 6 6 ARG N N 6 123.484 123.484 121.754 1.730 18705 1173 1 9 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.965 0.368 18705 1174 1 9 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.652 0.393 18705 1175 1 9 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.242 8.683 18705 1176 1 9 . 1 1 6 6 ARG H H 6 8.999 8.999 9.120 -0.121 18705 1177 1 9 . 1 1 7 7 THR N N 7 126.371 126.371 118.390 7.981 18705 1178 1 9 . 1 1 7 7 THR HA H 7 4.917 4.917 3.588 1.329 18705 1179 1 9 . 1 1 7 7 THR CA C 7 62.395 62.395 63.060 -0.665 18705 1180 1 9 . 1 1 7 7 THR CB C 7 71.434 71.434 67.526 3.908 18705 1181 1 9 . 1 1 7 7 THR H H 7 9.531 9.531 8.718 0.813 18705 1182 1 9 . 1 1 8 8 GLY N N 8 112.530 112.530 111.525 1.005 18705 1183 1 9 . 1 1 8 8 GLY C C 8 172.685 172.685 172.291 0.394 18705 1184 1 9 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.322 0.487 18705 1185 1 9 . 1 1 8 8 GLY H H 8 8.004 8.004 7.553 0.451 18705 1186 1 9 . 1 1 9 9 ARG N N 9 119.486 119.486 119.050 0.436 18705 1187 1 9 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.325 -0.042 18705 1188 1 9 . 1 1 9 9 ARG C C 9 176.627 176.627 175.698 0.929 18705 1189 1 9 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.861 -1.113 18705 1190 1 9 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.375 0.043 18705 1191 1 9 . 1 1 9 9 ARG H H 9 8.183 8.183 8.362 -0.179 18705 1192 1 9 . 1 1 10 10 CYS N N 10 116.919 116.919 116.894 0.025 18705 1193 1 9 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.544 0.330 18705 1194 1 9 . 1 1 10 10 CYS C C 10 174.788 174.788 174.376 0.412 18705 1195 1 9 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.084 -5.347 18705 1196 1 9 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.497 6.846 18705 1197 1 9 . 1 1 10 10 CYS H H 10 8.595 8.595 8.153 0.442 18705 1198 1 9 . 1 1 11 11 ALA N N 11 124.805 124.805 122.017 2.788 18705 1199 1 9 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.631 -0.198 18705 1200 1 9 . 1 1 11 11 ALA C C 11 177.552 177.552 179.007 -1.455 18705 1201 1 9 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.397 -0.016 18705 1202 1 9 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.796 -0.396 18705 1203 1 9 . 1 1 11 11 ALA H H 11 8.590 8.590 8.639 -0.049 18705 1204 1 9 . 1 1 12 12 THR N N 12 114.885 114.885 115.257 -0.372 18705 1205 1 9 . 1 1 12 12 THR HA H 12 4.002 4.002 4.066 -0.064 18705 1206 1 9 . 1 1 12 12 THR C C 12 174.815 174.815 175.721 -0.906 18705 1207 1 9 . 1 1 12 12 THR CA C 12 65.118 65.118 65.708 -0.590 18705 1208 1 9 . 1 1 12 12 THR CB C 12 68.792 68.792 68.940 -0.148 18705 1209 1 9 . 1 1 12 12 THR H H 12 8.238 8.238 8.524 -0.286 18705 1210 1 9 . 1 1 13 13 ARG N N 13 116.842 116.842 118.083 -1.241 18705 1211 1 9 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.155 -0.007 18705 1212 1 9 . 1 1 13 13 ARG C C 13 175.566 175.566 176.716 -1.150 18705 1213 1 9 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.588 0.004 18705 1214 1 9 . 1 1 13 13 ARG CB C 13 28.486 28.486 30.011 -1.525 18705 1215 1 9 . 1 1 13 13 ARG H H 13 8.518 8.518 8.297 0.221 18705 1216 1 9 . 1 1 14 14 GLU N N 14 117.264 117.264 117.899 -0.635 18705 1217 1 9 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.573 0.113 18705 1218 1 9 . 1 1 14 14 GLU C C 14 176.183 176.183 176.253 -0.070 18705 1219 1 9 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.113 -1.468 18705 1220 1 9 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.630 1.443 18705 1221 1 9 . 1 1 14 14 GLU H H 14 7.855 7.855 7.529 0.326 18705 1222 1 9 . 1 1 15 15 SER N N 15 114.972 114.972 114.218 0.754 18705 1223 1 9 . 1 1 15 15 SER HA H 15 4.807 4.807 4.662 0.145 18705 1224 1 9 . 1 1 15 15 SER C C 15 174.427 174.427 173.754 0.673 18705 1225 1 9 . 1 1 15 15 SER CA C 15 56.875 56.875 57.043 -0.168 18705 1226 1 9 . 1 1 15 15 SER CB C 15 65.036 65.036 65.619 -0.583 18705 1227 1 9 . 1 1 15 15 SER H H 15 9.273 9.273 8.760 0.513 18705 1228 1 9 . 1 1 16 16 LEU N N 16 129.724 129.724 127.335 2.389 18705 1229 1 9 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.918 -0.127 18705 1230 1 9 . 1 1 16 16 LEU C C 16 177.525 177.525 177.633 -0.108 18705 1231 1 9 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.901 1.483 18705 1232 1 9 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.341 -0.904 18705 1233 1 9 . 1 1 16 16 LEU H H 16 9.076 9.076 8.867 0.209 18705 1234 1 9 . 1 1 17 17 SER N N 17 123.451 123.451 120.848 2.603 18705 1235 1 9 . 1 1 17 17 SER HA H 17 4.877 4.877 4.633 0.244 18705 1236 1 9 . 1 1 17 17 SER CA C 17 58.092 58.092 58.132 -0.040 18705 1237 1 9 . 1 1 17 17 SER CB C 17 65.350 65.350 64.700 0.650 18705 1238 1 9 . 1 1 17 17 SER H H 17 9.387 9.387 9.084 0.303 18705 1239 1 9 . 1 1 18 18 GLY N N 18 107.233 107.233 109.565 -2.332 18705 1240 1 9 . 1 1 18 18 GLY CA C 18 44.935 44.935 44.996 -0.061 18705 1241 1 9 . 1 1 18 18 GLY H H 18 7.608 7.608 7.345 0.263 18705 1242 1 9 . 1 1 19 19 VAL N N 19 118.833 118.833 120.618 -1.785 18705 1243 1 9 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.768 0.297 18705 1244 1 9 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.712 -1.398 18705 1245 1 9 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.726 2.563 18705 1246 1 9 . 1 1 19 19 VAL H H 19 8.692 8.692 8.377 0.315 18705 1247 1 9 . 1 1 20 20 CYS N N 20 121.714 121.714 127.419 -5.705 18705 1248 1 9 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.460 0.432 18705 1249 1 9 . 1 1 20 20 CYS C C 20 176.328 176.328 173.850 2.478 18705 1250 1 9 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.684 -5.208 18705 1251 1 9 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.849 14.329 18705 1252 1 9 . 1 1 20 20 CYS H H 20 8.133 8.133 9.018 -0.885 18705 1253 1 9 . 1 1 22 22 ILE N N 22 124.351 124.351 123.429 0.922 18705 1254 1 9 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.335 0.006 18705 1255 1 9 . 1 1 22 22 ILE C C 22 176.380 176.380 175.596 0.784 18705 1256 1 9 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.099 1.161 18705 1257 1 9 . 1 1 22 22 ILE CB C 22 40.877 40.877 41.083 -0.206 18705 1258 1 9 . 1 1 22 22 ILE H H 22 8.865 8.865 9.162 -0.297 18705 1259 1 9 . 1 1 23 23 SER N N 23 124.886 124.886 121.480 3.406 18705 1260 1 9 . 1 1 23 23 SER HA H 23 4.108 4.108 4.046 0.062 18705 1261 1 9 . 1 1 23 23 SER CA C 23 58.444 58.444 58.711 -0.267 18705 1262 1 9 . 1 1 23 23 SER CB C 23 62.226 62.226 62.057 0.169 18705 1263 1 9 . 1 1 23 23 SER H H 23 9.633 9.633 9.158 0.475 18705 1264 1 9 . 1 1 24 24 GLY N N 24 104.151 104.151 107.950 -3.799 18705 1265 1 9 . 1 1 24 24 GLY C C 24 173.429 173.429 173.786 -0.357 18705 1266 1 9 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.041 0.192 18705 1267 1 9 . 1 1 24 24 GLY H H 24 8.635 8.635 8.397 0.238 18705 1268 1 9 . 1 1 25 25 ARG N N 25 121.072 121.072 121.854 -0.782 18705 1269 1 9 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.604 -0.024 18705 1270 1 9 . 1 1 25 25 ARG C C 25 174.701 174.701 175.284 -0.583 18705 1271 1 9 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.254 -0.986 18705 1272 1 9 . 1 1 25 25 ARG CB C 25 32.556 32.556 31.949 0.607 18705 1273 1 9 . 1 1 25 25 ARG H H 25 7.969 7.969 8.004 -0.035 18705 1274 1 9 . 1 1 26 26 LEU N N 26 124.251 124.251 126.837 -2.586 18705 1275 1 9 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.608 0.191 18705 1276 1 9 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.888 0.049 18705 1277 1 9 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.402 0.445 18705 1278 1 9 . 1 1 26 26 LEU H H 26 8.161 8.161 8.614 -0.453 18705 1279 1 9 . 1 1 27 27 TYR N N 27 122.809 122.809 121.688 1.121 18705 1280 1 9 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.656 0.130 18705 1281 1 9 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.928 -2.829 18705 1282 1 9 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.538 -1.584 18705 1283 1 9 . 1 1 27 27 TYR H H 27 9.173 9.173 9.234 -0.061 18705 1284 1 9 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.116 -0.504 18705 1285 1 9 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.020 -1.160 18705 1286 1 9 . 1 1 30 30 CYS N N 30 127.797 127.797 122.573 5.224 18705 1287 1 9 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.467 -0.025 18705 1288 1 9 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.702 -1.244 18705 1289 1 9 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.987 14.165 18705 1290 1 9 . 1 1 30 30 CYS H H 30 9.020 9.020 8.133 0.887 18705 1291 1 9 . 1 1 31 31 CYS N N 31 120.526 120.526 122.838 -2.312 18705 1292 1 9 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.378 0.389 18705 1293 1 9 . 1 1 31 31 CYS C C 31 173.200 173.200 174.361 -1.161 18705 1294 1 9 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.920 -2.236 18705 1295 1 9 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.331 18.735 18705 1296 1 9 . 1 1 31 31 CYS H H 31 9.049 9.049 8.986 0.063 18705 1297 1 10 . 1 1 2 2 THR N N 2 118.310 118.310 116.159 2.151 18705 1298 1 10 . 1 1 2 2 THR HA H 2 4.398 4.398 4.649 -0.251 18705 1299 1 10 . 1 1 2 2 THR CA C 2 62.489 62.489 61.986 0.503 18705 1300 1 10 . 1 1 2 2 THR CB C 2 70.031 70.031 69.521 0.510 18705 1301 1 10 . 1 1 2 2 THR H H 2 8.979 8.979 8.564 0.415 18705 1302 1 10 . 1 1 3 3 CYS N N 3 123.108 123.108 128.559 -5.451 18705 1303 1 10 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.112 0.541 18705 1304 1 10 . 1 1 3 3 CYS C C 3 172.018 172.018 174.636 -2.618 18705 1305 1 10 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.403 -3.334 18705 1306 1 10 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.428 22.290 18705 1307 1 10 . 1 1 3 3 CYS H H 3 8.541 8.541 9.159 -0.618 18705 1308 1 10 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.835 -0.226 18705 1309 1 10 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.566 0.052 18705 1310 1 10 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.097 3.085 18705 1311 1 10 . 1 1 5 5 CYS N N 5 119.803 119.803 120.741 -0.938 18705 1312 1 10 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.566 -0.954 18705 1313 1 10 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.972 -1.419 18705 1314 1 10 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.576 14.632 18705 1315 1 10 . 1 1 5 5 CYS H H 5 9.195 9.195 8.554 0.641 18705 1316 1 10 . 1 1 6 6 ARG N N 6 123.484 123.484 122.123 1.361 18705 1317 1 10 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.862 0.471 18705 1318 1 10 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.878 0.167 18705 1319 1 10 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.356 8.569 18705 1320 1 10 . 1 1 6 6 ARG H H 6 8.999 8.999 9.004 -0.005 18705 1321 1 10 . 1 1 7 7 THR N N 7 126.371 126.371 118.302 8.069 18705 1322 1 10 . 1 1 7 7 THR HA H 7 4.917 4.917 3.495 1.422 18705 1323 1 10 . 1 1 7 7 THR CA C 7 62.395 62.395 62.962 -0.568 18705 1324 1 10 . 1 1 7 7 THR CB C 7 71.434 71.434 67.115 4.319 18705 1325 1 10 . 1 1 7 7 THR H H 7 9.531 9.531 8.682 0.849 18705 1326 1 10 . 1 1 8 8 GLY N N 8 112.530 112.530 112.579 -0.049 18705 1327 1 10 . 1 1 8 8 GLY C C 8 172.685 172.685 171.966 0.719 18705 1328 1 10 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.312 0.497 18705 1329 1 10 . 1 1 8 8 GLY H H 8 8.004 8.004 7.570 0.434 18705 1330 1 10 . 1 1 9 9 ARG N N 9 119.486 119.486 119.406 0.080 18705 1331 1 10 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.228 0.055 18705 1332 1 10 . 1 1 9 9 ARG C C 9 176.627 176.627 175.542 1.085 18705 1333 1 10 . 1 1 9 9 ARG CA C 9 55.748 55.748 57.108 -1.360 18705 1334 1 10 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.331 0.087 18705 1335 1 10 . 1 1 9 9 ARG H H 9 8.183 8.183 8.341 -0.158 18705 1336 1 10 . 1 1 10 10 CYS N N 10 116.919 116.919 118.622 -1.703 18705 1337 1 10 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.564 0.310 18705 1338 1 10 . 1 1 10 10 CYS C C 10 174.788 174.788 174.157 0.631 18705 1339 1 10 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.195 -5.458 18705 1340 1 10 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.950 6.393 18705 1341 1 10 . 1 1 10 10 CYS H H 10 8.595 8.595 8.250 0.345 18705 1342 1 10 . 1 1 11 11 ALA N N 11 124.805 124.805 121.488 3.317 18705 1343 1 10 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.627 -0.194 18705 1344 1 10 . 1 1 11 11 ALA C C 11 177.552 177.552 178.607 -1.055 18705 1345 1 10 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.579 -0.198 18705 1346 1 10 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.700 -0.300 18705 1347 1 10 . 1 1 11 11 ALA H H 11 8.590 8.590 8.639 -0.049 18705 1348 1 10 . 1 1 12 12 THR N N 12 114.885 114.885 115.332 -0.447 18705 1349 1 10 . 1 1 12 12 THR HA H 12 4.002 4.002 4.000 0.002 18705 1350 1 10 . 1 1 12 12 THR C C 12 174.815 174.815 175.468 -0.653 18705 1351 1 10 . 1 1 12 12 THR CA C 12 65.118 65.118 65.885 -0.767 18705 1352 1 10 . 1 1 12 12 THR CB C 12 68.792 68.792 68.887 -0.095 18705 1353 1 10 . 1 1 12 12 THR H H 12 8.238 8.238 8.489 -0.251 18705 1354 1 10 . 1 1 13 13 ARG N N 13 116.842 116.842 117.733 -0.891 18705 1355 1 10 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.203 -0.055 18705 1356 1 10 . 1 1 13 13 ARG C C 13 175.566 175.566 176.773 -1.207 18705 1357 1 10 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.216 0.376 18705 1358 1 10 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.841 -1.355 18705 1359 1 10 . 1 1 13 13 ARG H H 13 8.518 8.518 8.414 0.104 18705 1360 1 10 . 1 1 14 14 GLU N N 14 117.264 117.264 118.449 -1.185 18705 1361 1 10 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.456 0.230 18705 1362 1 10 . 1 1 14 14 GLU C C 14 176.183 176.183 176.118 0.065 18705 1363 1 10 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.245 -1.601 18705 1364 1 10 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.607 1.466 18705 1365 1 10 . 1 1 14 14 GLU H H 14 7.855 7.855 7.506 0.349 18705 1366 1 10 . 1 1 15 15 SER N N 15 114.972 114.972 114.695 0.277 18705 1367 1 10 . 1 1 15 15 SER HA H 15 4.807 4.807 4.675 0.132 18705 1368 1 10 . 1 1 15 15 SER C C 15 174.427 174.427 173.856 0.571 18705 1369 1 10 . 1 1 15 15 SER CA C 15 56.875 56.875 56.937 -0.062 18705 1370 1 10 . 1 1 15 15 SER CB C 15 65.036 65.036 65.590 -0.554 18705 1371 1 10 . 1 1 15 15 SER H H 15 9.273 9.273 8.962 0.311 18705 1372 1 10 . 1 1 16 16 LEU N N 16 129.724 129.724 127.331 2.393 18705 1373 1 10 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.892 -0.101 18705 1374 1 10 . 1 1 16 16 LEU C C 16 177.525 177.525 177.610 -0.085 18705 1375 1 10 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.920 1.464 18705 1376 1 10 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.102 -0.665 18705 1377 1 10 . 1 1 16 16 LEU H H 16 9.076 9.076 8.875 0.201 18705 1378 1 10 . 1 1 17 17 SER N N 17 123.451 123.451 121.481 1.970 18705 1379 1 10 . 1 1 17 17 SER HA H 17 4.877 4.877 4.636 0.241 18705 1380 1 10 . 1 1 17 17 SER CA C 17 58.092 58.092 58.134 -0.042 18705 1381 1 10 . 1 1 17 17 SER CB C 17 65.350 65.350 64.809 0.541 18705 1382 1 10 . 1 1 17 17 SER H H 17 9.387 9.387 9.115 0.272 18705 1383 1 10 . 1 1 18 18 GLY N N 18 107.233 107.233 109.457 -2.224 18705 1384 1 10 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.157 -0.222 18705 1385 1 10 . 1 1 18 18 GLY H H 18 7.608 7.608 7.299 0.309 18705 1386 1 10 . 1 1 19 19 VAL N N 19 118.833 118.833 120.104 -1.271 18705 1387 1 10 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.745 0.320 18705 1388 1 10 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.422 -1.108 18705 1389 1 10 . 1 1 19 19 VAL CB C 19 35.289 35.289 33.004 2.285 18705 1390 1 10 . 1 1 19 19 VAL H H 19 8.692 8.692 8.284 0.408 18705 1391 1 10 . 1 1 20 20 CYS N N 20 121.714 121.714 127.850 -6.136 18705 1392 1 10 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.599 0.293 18705 1393 1 10 . 1 1 20 20 CYS C C 20 176.328 176.328 173.518 2.810 18705 1394 1 10 . 1 1 20 20 CYS CA C 20 54.476 54.476 58.844 -4.368 18705 1395 1 10 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.328 13.850 18705 1396 1 10 . 1 1 20 20 CYS H H 20 8.133 8.133 9.191 -1.058 18705 1397 1 10 . 1 1 22 22 ILE N N 22 124.351 124.351 123.666 0.685 18705 1398 1 10 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.365 -0.024 18705 1399 1 10 . 1 1 22 22 ILE C C 22 176.380 176.380 175.752 0.628 18705 1400 1 10 . 1 1 22 22 ILE CA C 22 61.260 61.260 59.127 2.133 18705 1401 1 10 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.202 0.675 18705 1402 1 10 . 1 1 22 22 ILE H H 22 8.865 8.865 9.106 -0.241 18705 1403 1 10 . 1 1 23 23 SER N N 23 124.886 124.886 119.742 5.144 18705 1404 1 10 . 1 1 23 23 SER HA H 23 4.108 4.108 4.056 0.052 18705 1405 1 10 . 1 1 23 23 SER CA C 23 58.444 58.444 59.070 -0.626 18705 1406 1 10 . 1 1 23 23 SER CB C 23 62.226 62.226 62.438 -0.212 18705 1407 1 10 . 1 1 23 23 SER H H 23 9.633 9.633 8.944 0.689 18705 1408 1 10 . 1 1 24 24 GLY N N 24 104.151 104.151 106.830 -2.679 18705 1409 1 10 . 1 1 24 24 GLY C C 24 173.429 173.429 174.151 -0.722 18705 1410 1 10 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.788 0.445 18705 1411 1 10 . 1 1 24 24 GLY H H 24 8.635 8.635 8.041 0.594 18705 1412 1 10 . 1 1 25 25 ARG N N 25 121.072 121.072 122.631 -1.559 18705 1413 1 10 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.563 0.017 18705 1414 1 10 . 1 1 25 25 ARG C C 25 174.701 174.701 175.487 -0.786 18705 1415 1 10 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.638 -1.370 18705 1416 1 10 . 1 1 25 25 ARG CB C 25 32.556 32.556 31.932 0.624 18705 1417 1 10 . 1 1 25 25 ARG H H 25 7.969 7.969 8.054 -0.085 18705 1418 1 10 . 1 1 26 26 LEU N N 26 124.251 124.251 124.823 -0.572 18705 1419 1 10 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.691 0.108 18705 1420 1 10 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.315 0.622 18705 1421 1 10 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.430 0.417 18705 1422 1 10 . 1 1 26 26 LEU H H 26 8.161 8.161 8.493 -0.332 18705 1423 1 10 . 1 1 27 27 TYR N N 27 122.809 122.809 123.974 -1.165 18705 1424 1 10 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.762 0.024 18705 1425 1 10 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.657 -2.558 18705 1426 1 10 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.538 -1.583 18705 1427 1 10 . 1 1 27 27 TYR H H 27 9.173 9.173 8.971 0.202 18705 1428 1 10 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.045 -0.433 18705 1429 1 10 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.969 -1.109 18705 1430 1 10 . 1 1 30 30 CYS N N 30 127.797 127.797 122.545 5.252 18705 1431 1 10 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.427 0.015 18705 1432 1 10 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.707 -1.249 18705 1433 1 10 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.870 14.282 18705 1434 1 10 . 1 1 30 30 CYS H H 30 9.020 9.020 8.255 0.765 18705 1435 1 10 . 1 1 31 31 CYS N N 31 120.526 120.526 122.925 -2.399 18705 1436 1 10 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.386 0.381 18705 1437 1 10 . 1 1 31 31 CYS C C 31 173.200 173.200 174.573 -1.373 18705 1438 1 10 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.894 -2.210 18705 1439 1 10 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.084 18.983 18705 1440 1 10 . 1 1 31 31 CYS H H 31 9.049 9.049 9.075 -0.026 18705 1441 1 11 . 1 1 2 2 THR N N 2 118.310 118.310 116.208 2.102 18705 1442 1 11 . 1 1 2 2 THR HA H 2 4.398 4.398 4.652 -0.254 18705 1443 1 11 . 1 1 2 2 THR CA C 2 62.489 62.489 62.057 0.432 18705 1444 1 11 . 1 1 2 2 THR CB C 2 70.031 70.031 69.379 0.652 18705 1445 1 11 . 1 1 2 2 THR H H 2 8.979 8.979 8.609 0.370 18705 1446 1 11 . 1 1 3 3 CYS N N 3 123.108 123.108 128.612 -5.504 18705 1447 1 11 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.154 0.499 18705 1448 1 11 . 1 1 3 3 CYS C C 3 172.018 172.018 174.652 -2.634 18705 1449 1 11 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.366 -3.297 18705 1450 1 11 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.574 22.144 18705 1451 1 11 . 1 1 3 3 CYS H H 3 8.541 8.541 9.159 -0.618 18705 1452 1 11 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.825 -0.216 18705 1453 1 11 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.541 0.077 18705 1454 1 11 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.099 3.083 18705 1455 1 11 . 1 1 5 5 CYS N N 5 119.803 119.803 120.997 -1.194 18705 1456 1 11 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.537 -0.925 18705 1457 1 11 . 1 1 5 5 CYS CA C 5 56.553 56.553 58.079 -1.526 18705 1458 1 11 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.384 14.824 18705 1459 1 11 . 1 1 5 5 CYS H H 5 9.195 9.195 8.513 0.682 18705 1460 1 11 . 1 1 6 6 ARG N N 6 123.484 123.484 122.466 1.018 18705 1461 1 11 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.933 0.400 18705 1462 1 11 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.750 0.295 18705 1463 1 11 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.366 8.559 18705 1464 1 11 . 1 1 6 6 ARG H H 6 8.999 8.999 9.172 -0.173 18705 1465 1 11 . 1 1 7 7 THR N N 7 126.371 126.371 118.280 8.091 18705 1466 1 11 . 1 1 7 7 THR HA H 7 4.917 4.917 3.517 1.400 18705 1467 1 11 . 1 1 7 7 THR CA C 7 62.395 62.395 62.083 0.312 18705 1468 1 11 . 1 1 7 7 THR CB C 7 71.434 71.434 66.731 4.703 18705 1469 1 11 . 1 1 7 7 THR H H 7 9.531 9.531 8.653 0.878 18705 1470 1 11 . 1 1 8 8 GLY N N 8 112.530 112.530 112.108 0.422 18705 1471 1 11 . 1 1 8 8 GLY C C 8 172.685 172.685 171.758 0.927 18705 1472 1 11 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.431 0.378 18705 1473 1 11 . 1 1 8 8 GLY H H 8 8.004 8.004 7.381 0.623 18705 1474 1 11 . 1 1 9 9 ARG N N 9 119.486 119.486 119.153 0.333 18705 1475 1 11 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.267 0.016 18705 1476 1 11 . 1 1 9 9 ARG C C 9 176.627 176.627 175.422 1.205 18705 1477 1 11 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.824 -1.076 18705 1478 1 11 . 1 1 9 9 ARG CB C 9 31.418 31.418 30.957 0.461 18705 1479 1 11 . 1 1 9 9 ARG H H 9 8.183 8.183 8.321 -0.138 18705 1480 1 11 . 1 1 10 10 CYS N N 10 116.919 116.919 121.243 -4.324 18705 1481 1 11 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.558 0.316 18705 1482 1 11 . 1 1 10 10 CYS C C 10 174.788 174.788 174.172 0.616 18705 1483 1 11 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.892 -5.155 18705 1484 1 11 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.706 6.637 18705 1485 1 11 . 1 1 10 10 CYS H H 10 8.595 8.595 8.217 0.378 18705 1486 1 11 . 1 1 11 11 ALA N N 11 124.805 124.805 122.054 2.751 18705 1487 1 11 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.559 -0.126 18705 1488 1 11 . 1 1 11 11 ALA C C 11 177.552 177.552 178.866 -1.314 18705 1489 1 11 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.652 -0.271 18705 1490 1 11 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.618 -0.218 18705 1491 1 11 . 1 1 11 11 ALA H H 11 8.590 8.590 8.821 -0.231 18705 1492 1 11 . 1 1 12 12 THR N N 12 114.885 114.885 115.439 -0.554 18705 1493 1 11 . 1 1 12 12 THR HA H 12 4.002 4.002 4.078 -0.076 18705 1494 1 11 . 1 1 12 12 THR C C 12 174.815 174.815 175.779 -0.964 18705 1495 1 11 . 1 1 12 12 THR CA C 12 65.118 65.118 65.702 -0.584 18705 1496 1 11 . 1 1 12 12 THR CB C 12 68.792 68.792 68.955 -0.163 18705 1497 1 11 . 1 1 12 12 THR H H 12 8.238 8.238 8.503 -0.265 18705 1498 1 11 . 1 1 13 13 ARG N N 13 116.842 116.842 118.211 -1.369 18705 1499 1 11 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.163 -0.015 18705 1500 1 11 . 1 1 13 13 ARG C C 13 175.566 175.566 176.717 -1.151 18705 1501 1 11 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.544 0.048 18705 1502 1 11 . 1 1 13 13 ARG CB C 13 28.486 28.486 30.059 -1.573 18705 1503 1 11 . 1 1 13 13 ARG H H 13 8.518 8.518 8.252 0.266 18705 1504 1 11 . 1 1 14 14 GLU N N 14 117.264 117.264 117.882 -0.618 18705 1505 1 11 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.521 0.165 18705 1506 1 11 . 1 1 14 14 GLU C C 14 176.183 176.183 176.274 -0.091 18705 1507 1 11 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.283 -1.638 18705 1508 1 11 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.528 1.545 18705 1509 1 11 . 1 1 14 14 GLU H H 14 7.855 7.855 7.457 0.398 18705 1510 1 11 . 1 1 15 15 SER N N 15 114.972 114.972 115.115 -0.143 18705 1511 1 11 . 1 1 15 15 SER HA H 15 4.807 4.807 4.665 0.142 18705 1512 1 11 . 1 1 15 15 SER C C 15 174.427 174.427 173.733 0.694 18705 1513 1 11 . 1 1 15 15 SER CA C 15 56.875 56.875 56.091 0.784 18705 1514 1 11 . 1 1 15 15 SER CB C 15 65.036 65.036 65.275 -0.239 18705 1515 1 11 . 1 1 15 15 SER H H 15 9.273 9.273 8.932 0.341 18705 1516 1 11 . 1 1 16 16 LEU N N 16 129.724 129.724 127.910 1.814 18705 1517 1 11 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.829 -0.038 18705 1518 1 11 . 1 1 16 16 LEU C C 16 177.525 177.525 177.808 -0.283 18705 1519 1 11 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.582 1.802 18705 1520 1 11 . 1 1 16 16 LEU CB C 16 41.437 41.437 41.639 -0.202 18705 1521 1 11 . 1 1 16 16 LEU H H 16 9.076 9.076 8.877 0.199 18705 1522 1 11 . 1 1 17 17 SER N N 17 123.451 123.451 121.437 2.014 18705 1523 1 11 . 1 1 17 17 SER HA H 17 4.877 4.877 4.550 0.327 18705 1524 1 11 . 1 1 17 17 SER CA C 17 58.092 58.092 58.318 -0.226 18705 1525 1 11 . 1 1 17 17 SER CB C 17 65.350 65.350 64.280 1.070 18705 1526 1 11 . 1 1 17 17 SER H H 17 9.387 9.387 8.958 0.429 18705 1527 1 11 . 1 1 18 18 GLY N N 18 107.233 107.233 109.136 -1.903 18705 1528 1 11 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.017 -0.082 18705 1529 1 11 . 1 1 18 18 GLY H H 18 7.608 7.608 7.382 0.226 18705 1530 1 11 . 1 1 19 19 VAL N N 19 118.833 118.833 120.257 -1.424 18705 1531 1 11 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.625 0.440 18705 1532 1 11 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.808 -0.494 18705 1533 1 11 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.565 2.724 18705 1534 1 11 . 1 1 19 19 VAL H H 19 8.692 8.692 8.242 0.450 18705 1535 1 11 . 1 1 20 20 CYS N N 20 121.714 121.714 127.737 -6.023 18705 1536 1 11 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.616 0.276 18705 1537 1 11 . 1 1 20 20 CYS C C 20 176.328 176.328 173.376 2.952 18705 1538 1 11 . 1 1 20 20 CYS CA C 20 54.476 54.476 58.748 -4.272 18705 1539 1 11 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.851 13.327 18705 1540 1 11 . 1 1 20 20 CYS H H 20 8.133 8.133 9.195 -1.062 18705 1541 1 11 . 1 1 22 22 ILE N N 22 124.351 124.351 126.001 -1.650 18705 1542 1 11 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.359 -0.018 18705 1543 1 11 . 1 1 22 22 ILE C C 22 176.380 176.380 175.663 0.717 18705 1544 1 11 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.266 0.994 18705 1545 1 11 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.885 -0.008 18705 1546 1 11 . 1 1 22 22 ILE H H 22 8.865 8.865 8.913 -0.048 18705 1547 1 11 . 1 1 23 23 SER N N 23 124.886 124.886 122.386 2.500 18705 1548 1 11 . 1 1 23 23 SER HA H 23 4.108 4.108 4.099 0.009 18705 1549 1 11 . 1 1 23 23 SER CA C 23 58.444 58.444 59.087 -0.643 18705 1550 1 11 . 1 1 23 23 SER CB C 23 62.226 62.226 60.964 1.262 18705 1551 1 11 . 1 1 23 23 SER H H 23 9.633 9.633 9.036 0.597 18705 1552 1 11 . 1 1 24 24 GLY N N 24 104.151 104.151 106.889 -2.738 18705 1553 1 11 . 1 1 24 24 GLY C C 24 173.429 173.429 173.924 -0.495 18705 1554 1 11 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.373 -0.140 18705 1555 1 11 . 1 1 24 24 GLY H H 24 8.635 8.635 8.602 0.033 18705 1556 1 11 . 1 1 25 25 ARG N N 25 121.072 121.072 121.196 -0.124 18705 1557 1 11 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.506 0.074 18705 1558 1 11 . 1 1 25 25 ARG C C 25 174.701 174.701 175.066 -0.365 18705 1559 1 11 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.489 -1.221 18705 1560 1 11 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.286 0.270 18705 1561 1 11 . 1 1 25 25 ARG H H 25 7.969 7.969 7.944 0.025 18705 1562 1 11 . 1 1 26 26 LEU N N 26 124.251 124.251 123.809 0.442 18705 1563 1 11 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.662 0.137 18705 1564 1 11 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.010 0.927 18705 1565 1 11 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.937 -0.090 18705 1566 1 11 . 1 1 26 26 LEU H H 26 8.161 8.161 8.477 -0.316 18705 1567 1 11 . 1 1 27 27 TYR N N 27 122.809 122.809 126.367 -3.558 18705 1568 1 11 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.922 -0.136 18705 1569 1 11 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.742 -2.643 18705 1570 1 11 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.581 -1.627 18705 1571 1 11 . 1 1 27 27 TYR H H 27 9.173 9.173 9.425 -0.252 18705 1572 1 11 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.052 -0.440 18705 1573 1 11 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.864 -1.004 18705 1574 1 11 . 1 1 30 30 CYS N N 30 127.797 127.797 122.421 5.376 18705 1575 1 11 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.412 0.030 18705 1576 1 11 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.784 -1.326 18705 1577 1 11 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.851 14.301 18705 1578 1 11 . 1 1 30 30 CYS H H 30 9.020 9.020 8.171 0.849 18705 1579 1 11 . 1 1 31 31 CYS N N 31 120.526 120.526 122.537 -2.011 18705 1580 1 11 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.430 0.337 18705 1581 1 11 . 1 1 31 31 CYS C C 31 173.200 173.200 174.557 -1.357 18705 1582 1 11 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.885 -2.201 18705 1583 1 11 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.465 18.601 18705 1584 1 11 . 1 1 31 31 CYS H H 31 9.049 9.049 9.025 0.024 18705 1585 1 12 . 1 1 2 2 THR N N 2 118.310 118.310 116.158 2.152 18705 1586 1 12 . 1 1 2 2 THR HA H 2 4.398 4.398 4.718 -0.320 18705 1587 1 12 . 1 1 2 2 THR CA C 2 62.489 62.489 61.512 0.977 18705 1588 1 12 . 1 1 2 2 THR CB C 2 70.031 70.031 69.645 0.386 18705 1589 1 12 . 1 1 2 2 THR H H 2 8.979 8.979 8.448 0.531 18705 1590 1 12 . 1 1 3 3 CYS N N 3 123.108 123.108 128.229 -5.121 18705 1591 1 12 . 1 1 3 3 CYS HA H 3 5.653 5.653 4.987 0.666 18705 1592 1 12 . 1 1 3 3 CYS C C 3 172.018 172.018 174.323 -2.305 18705 1593 1 12 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.462 -3.393 18705 1594 1 12 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.296 22.422 18705 1595 1 12 . 1 1 3 3 CYS H H 3 8.541 8.541 9.148 -0.607 18705 1596 1 12 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.834 -0.225 18705 1597 1 12 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.389 0.229 18705 1598 1 12 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.180 3.002 18705 1599 1 12 . 1 1 5 5 CYS N N 5 119.803 119.803 121.179 -1.376 18705 1600 1 12 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.622 -1.010 18705 1601 1 12 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.933 -1.380 18705 1602 1 12 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.684 14.524 18705 1603 1 12 . 1 1 5 5 CYS H H 5 9.195 9.195 8.747 0.448 18705 1604 1 12 . 1 1 6 6 ARG N N 6 123.484 123.484 123.072 0.412 18705 1605 1 12 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.040 0.293 18705 1606 1 12 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.431 0.614 18705 1607 1 12 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.549 8.376 18705 1608 1 12 . 1 1 6 6 ARG H H 6 8.999 8.999 9.250 -0.251 18705 1609 1 12 . 1 1 7 7 THR N N 7 126.371 126.371 118.152 8.219 18705 1610 1 12 . 1 1 7 7 THR HA H 7 4.917 4.917 3.556 1.361 18705 1611 1 12 . 1 1 7 7 THR CA C 7 62.395 62.395 62.216 0.179 18705 1612 1 12 . 1 1 7 7 THR CB C 7 71.434 71.434 67.267 4.167 18705 1613 1 12 . 1 1 7 7 THR H H 7 9.531 9.531 8.646 0.885 18705 1614 1 12 . 1 1 8 8 GLY N N 8 112.530 112.530 114.008 -1.478 18705 1615 1 12 . 1 1 8 8 GLY C C 8 172.685 172.685 171.997 0.688 18705 1616 1 12 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.571 0.238 18705 1617 1 12 . 1 1 8 8 GLY H H 8 8.004 8.004 7.547 0.457 18705 1618 1 12 . 1 1 9 9 ARG N N 9 119.486 119.486 119.576 -0.090 18705 1619 1 12 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.371 -0.088 18705 1620 1 12 . 1 1 9 9 ARG C C 9 176.627 176.627 174.860 1.767 18705 1621 1 12 . 1 1 9 9 ARG CA C 9 55.748 55.748 55.987 -0.239 18705 1622 1 12 . 1 1 9 9 ARG CB C 9 31.418 31.418 30.819 0.599 18705 1623 1 12 . 1 1 9 9 ARG H H 9 8.183 8.183 8.219 -0.036 18705 1624 1 12 . 1 1 10 10 CYS N N 10 116.919 116.919 119.362 -2.443 18705 1625 1 12 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.561 0.313 18705 1626 1 12 . 1 1 10 10 CYS C C 10 174.788 174.788 173.909 0.879 18705 1627 1 12 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.813 -5.076 18705 1628 1 12 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.345 5.998 18705 1629 1 12 . 1 1 10 10 CYS H H 10 8.595 8.595 8.284 0.311 18705 1630 1 12 . 1 1 11 11 ALA N N 11 124.805 124.805 122.130 2.675 18705 1631 1 12 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.658 -0.225 18705 1632 1 12 . 1 1 11 11 ALA C C 11 177.552 177.552 178.576 -1.024 18705 1633 1 12 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.323 0.058 18705 1634 1 12 . 1 1 11 11 ALA CB C 11 19.400 19.400 20.017 -0.617 18705 1635 1 12 . 1 1 11 11 ALA H H 11 8.590 8.590 8.861 -0.271 18705 1636 1 12 . 1 1 12 12 THR N N 12 114.885 114.885 115.744 -0.859 18705 1637 1 12 . 1 1 12 12 THR HA H 12 4.002 4.002 3.981 0.021 18705 1638 1 12 . 1 1 12 12 THR C C 12 174.815 174.815 175.688 -0.873 18705 1639 1 12 . 1 1 12 12 THR CA C 12 65.118 65.118 65.741 -0.623 18705 1640 1 12 . 1 1 12 12 THR CB C 12 68.792 68.792 68.867 -0.075 18705 1641 1 12 . 1 1 12 12 THR H H 12 8.238 8.238 8.490 -0.252 18705 1642 1 12 . 1 1 13 13 ARG N N 13 116.842 116.842 117.723 -0.881 18705 1643 1 12 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.201 -0.053 18705 1644 1 12 . 1 1 13 13 ARG C C 13 175.566 175.566 176.950 -1.384 18705 1645 1 12 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.226 0.366 18705 1646 1 12 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.785 -1.298 18705 1647 1 12 . 1 1 13 13 ARG H H 13 8.518 8.518 8.412 0.106 18705 1648 1 12 . 1 1 14 14 GLU N N 14 117.264 117.264 117.897 -0.633 18705 1649 1 12 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.534 0.152 18705 1650 1 12 . 1 1 14 14 GLU C C 14 176.183 176.183 176.454 -0.271 18705 1651 1 12 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.312 -1.667 18705 1652 1 12 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.600 1.473 18705 1653 1 12 . 1 1 14 14 GLU H H 14 7.855 7.855 7.494 0.361 18705 1654 1 12 . 1 1 15 15 SER N N 15 114.972 114.972 114.814 0.158 18705 1655 1 12 . 1 1 15 15 SER HA H 15 4.807 4.807 4.659 0.148 18705 1656 1 12 . 1 1 15 15 SER C C 15 174.427 174.427 173.459 0.968 18705 1657 1 12 . 1 1 15 15 SER CA C 15 56.875 56.875 56.785 0.090 18705 1658 1 12 . 1 1 15 15 SER CB C 15 65.036 65.036 65.282 -0.246 18705 1659 1 12 . 1 1 15 15 SER H H 15 9.273 9.273 8.740 0.533 18705 1660 1 12 . 1 1 16 16 LEU N N 16 129.724 129.724 127.896 1.828 18705 1661 1 12 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.919 -0.128 18705 1662 1 12 . 1 1 16 16 LEU C C 16 177.525 177.525 177.805 -0.280 18705 1663 1 12 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.764 1.620 18705 1664 1 12 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.402 -0.965 18705 1665 1 12 . 1 1 16 16 LEU H H 16 9.076 9.076 8.892 0.184 18705 1666 1 12 . 1 1 17 17 SER N N 17 123.451 123.451 120.954 2.497 18705 1667 1 12 . 1 1 17 17 SER HA H 17 4.877 4.877 4.654 0.223 18705 1668 1 12 . 1 1 17 17 SER CA C 17 58.092 58.092 58.028 0.064 18705 1669 1 12 . 1 1 17 17 SER CB C 17 65.350 65.350 64.916 0.434 18705 1670 1 12 . 1 1 17 17 SER H H 17 9.387 9.387 9.092 0.295 18705 1671 1 12 . 1 1 18 18 GLY N N 18 107.233 107.233 109.478 -2.245 18705 1672 1 12 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.211 -0.276 18705 1673 1 12 . 1 1 18 18 GLY H H 18 7.608 7.608 7.327 0.281 18705 1674 1 12 . 1 1 19 19 VAL N N 19 118.833 118.833 120.510 -1.677 18705 1675 1 12 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.873 0.192 18705 1676 1 12 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.232 0.082 18705 1677 1 12 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.081 3.208 18705 1678 1 12 . 1 1 19 19 VAL H H 19 8.692 8.692 8.215 0.477 18705 1679 1 12 . 1 1 20 20 CYS N N 20 121.714 121.714 128.165 -6.451 18705 1680 1 12 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.478 0.414 18705 1681 1 12 . 1 1 20 20 CYS C C 20 176.328 176.328 173.586 2.742 18705 1682 1 12 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.584 -5.108 18705 1683 1 12 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.024 14.154 18705 1684 1 12 . 1 1 20 20 CYS H H 20 8.133 8.133 9.186 -1.053 18705 1685 1 12 . 1 1 22 22 ILE N N 22 124.351 124.351 125.140 -0.789 18705 1686 1 12 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.391 -0.050 18705 1687 1 12 . 1 1 22 22 ILE C C 22 176.380 176.380 175.619 0.761 18705 1688 1 12 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.272 0.988 18705 1689 1 12 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.799 0.078 18705 1690 1 12 . 1 1 22 22 ILE H H 22 8.865 8.865 9.150 -0.285 18705 1691 1 12 . 1 1 23 23 SER N N 23 124.886 124.886 121.158 3.728 18705 1692 1 12 . 1 1 23 23 SER HA H 23 4.108 4.108 4.142 -0.034 18705 1693 1 12 . 1 1 23 23 SER CA C 23 58.444 58.444 58.622 -0.178 18705 1694 1 12 . 1 1 23 23 SER CB C 23 62.226 62.226 61.669 0.557 18705 1695 1 12 . 1 1 23 23 SER H H 23 9.633 9.633 9.142 0.491 18705 1696 1 12 . 1 1 24 24 GLY N N 24 104.151 104.151 106.221 -2.070 18705 1697 1 12 . 1 1 24 24 GLY C C 24 173.429 173.429 174.366 -0.937 18705 1698 1 12 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.218 0.015 18705 1699 1 12 . 1 1 24 24 GLY H H 24 8.635 8.635 8.681 -0.046 18705 1700 1 12 . 1 1 25 25 ARG N N 25 121.072 121.072 120.876 0.196 18705 1701 1 12 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.725 -0.145 18705 1702 1 12 . 1 1 25 25 ARG C C 25 174.701 174.701 175.183 -0.482 18705 1703 1 12 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.852 -0.584 18705 1704 1 12 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.387 0.169 18705 1705 1 12 . 1 1 25 25 ARG H H 25 7.969 7.969 8.133 -0.164 18705 1706 1 12 . 1 1 26 26 LEU N N 26 124.251 124.251 125.437 -1.186 18705 1707 1 12 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.783 0.016 18705 1708 1 12 . 1 1 26 26 LEU CA C 26 55.937 55.937 54.884 1.053 18705 1709 1 12 . 1 1 26 26 LEU CB C 26 42.847 42.847 41.683 1.164 18705 1710 1 12 . 1 1 26 26 LEU H H 26 8.161 8.161 8.613 -0.452 18705 1711 1 12 . 1 1 27 27 TYR N N 27 122.809 122.809 123.099 -0.290 18705 1712 1 12 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.745 0.041 18705 1713 1 12 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.120 -3.021 18705 1714 1 12 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.674 -1.720 18705 1715 1 12 . 1 1 27 27 TYR H H 27 9.173 9.173 9.331 -0.158 18705 1716 1 12 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.052 -0.440 18705 1717 1 12 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.707 -0.847 18705 1718 1 12 . 1 1 30 30 CYS N N 30 127.797 127.797 122.160 5.637 18705 1719 1 12 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.431 0.011 18705 1720 1 12 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.682 -1.224 18705 1721 1 12 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.613 14.539 18705 1722 1 12 . 1 1 30 30 CYS H H 30 9.020 9.020 8.078 0.942 18705 1723 1 12 . 1 1 31 31 CYS N N 31 120.526 120.526 123.411 -2.885 18705 1724 1 12 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.390 0.377 18705 1725 1 12 . 1 1 31 31 CYS C C 31 173.200 173.200 174.243 -1.043 18705 1726 1 12 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.853 -2.169 18705 1727 1 12 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.975 19.091 18705 1728 1 12 . 1 1 31 31 CYS H H 31 9.049 9.049 9.018 0.031 18705 1729 1 13 . 1 1 2 2 THR N N 2 118.310 118.310 116.019 2.291 18705 1730 1 13 . 1 1 2 2 THR HA H 2 4.398 4.398 4.728 -0.330 18705 1731 1 13 . 1 1 2 2 THR CA C 2 62.489 62.489 61.429 1.060 18705 1732 1 13 . 1 1 2 2 THR CB C 2 70.031 70.031 69.349 0.682 18705 1733 1 13 . 1 1 2 2 THR H H 2 8.979 8.979 8.552 0.427 18705 1734 1 13 . 1 1 3 3 CYS N N 3 123.108 123.108 128.320 -5.212 18705 1735 1 13 . 1 1 3 3 CYS HA H 3 5.653 5.653 4.936 0.717 18705 1736 1 13 . 1 1 3 3 CYS C C 3 172.018 172.018 174.342 -2.324 18705 1737 1 13 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.529 -3.460 18705 1738 1 13 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.355 22.363 18705 1739 1 13 . 1 1 3 3 CYS H H 3 8.541 8.541 9.146 -0.605 18705 1740 1 13 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.823 -0.214 18705 1741 1 13 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.444 0.174 18705 1742 1 13 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.083 3.099 18705 1743 1 13 . 1 1 5 5 CYS N N 5 119.803 119.803 121.471 -1.668 18705 1744 1 13 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.555 -0.943 18705 1745 1 13 . 1 1 5 5 CYS CA C 5 56.553 56.553 58.217 -1.664 18705 1746 1 13 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.427 14.780 18705 1747 1 13 . 1 1 5 5 CYS H H 5 9.195 9.195 8.461 0.734 18705 1748 1 13 . 1 1 6 6 ARG N N 6 123.484 123.484 122.973 0.511 18705 1749 1 13 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.904 0.429 18705 1750 1 13 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.565 0.480 18705 1751 1 13 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.288 8.637 18705 1752 1 13 . 1 1 6 6 ARG H H 6 8.999 8.999 9.151 -0.152 18705 1753 1 13 . 1 1 7 7 THR N N 7 126.371 126.371 118.449 7.922 18705 1754 1 13 . 1 1 7 7 THR HA H 7 4.917 4.917 3.488 1.429 18705 1755 1 13 . 1 1 7 7 THR CA C 7 62.395 62.395 62.941 -0.546 18705 1756 1 13 . 1 1 7 7 THR CB C 7 71.434 71.434 67.405 4.029 18705 1757 1 13 . 1 1 7 7 THR H H 7 9.531 9.531 8.570 0.961 18705 1758 1 13 . 1 1 8 8 GLY N N 8 112.530 112.530 110.644 1.886 18705 1759 1 13 . 1 1 8 8 GLY C C 8 172.685 172.685 171.926 0.759 18705 1760 1 13 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.286 0.523 18705 1761 1 13 . 1 1 8 8 GLY H H 8 8.004 8.004 7.709 0.295 18705 1762 1 13 . 1 1 9 9 ARG N N 9 119.486 119.486 119.324 0.162 18705 1763 1 13 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.265 0.018 18705 1764 1 13 . 1 1 9 9 ARG C C 9 176.627 176.627 175.180 1.447 18705 1765 1 13 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.888 -1.140 18705 1766 1 13 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.408 0.010 18705 1767 1 13 . 1 1 9 9 ARG H H 9 8.183 8.183 8.356 -0.173 18705 1768 1 13 . 1 1 10 10 CYS N N 10 116.919 116.919 118.536 -1.617 18705 1769 1 13 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.586 0.288 18705 1770 1 13 . 1 1 10 10 CYS C C 10 174.788 174.788 174.332 0.456 18705 1771 1 13 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.879 -5.141 18705 1772 1 13 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.091 6.252 18705 1773 1 13 . 1 1 10 10 CYS H H 10 8.595 8.595 8.311 0.284 18705 1774 1 13 . 1 1 11 11 ALA N N 11 124.805 124.805 122.218 2.587 18705 1775 1 13 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.556 -0.123 18705 1776 1 13 . 1 1 11 11 ALA C C 11 177.552 177.552 178.589 -1.037 18705 1777 1 13 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.782 -0.401 18705 1778 1 13 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.642 -0.242 18705 1779 1 13 . 1 1 11 11 ALA H H 11 8.590 8.590 8.469 0.121 18705 1780 1 13 . 1 1 12 12 THR N N 12 114.885 114.885 115.547 -0.662 18705 1781 1 13 . 1 1 12 12 THR HA H 12 4.002 4.002 3.985 0.017 18705 1782 1 13 . 1 1 12 12 THR C C 12 174.815 174.815 175.462 -0.647 18705 1783 1 13 . 1 1 12 12 THR CA C 12 65.118 65.118 65.544 -0.427 18705 1784 1 13 . 1 1 12 12 THR CB C 12 68.792 68.792 68.818 -0.026 18705 1785 1 13 . 1 1 12 12 THR H H 12 8.238 8.238 8.510 -0.272 18705 1786 1 13 . 1 1 13 13 ARG N N 13 116.842 116.842 117.577 -0.735 18705 1787 1 13 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.204 -0.056 18705 1788 1 13 . 1 1 13 13 ARG C C 13 175.566 175.566 176.925 -1.359 18705 1789 1 13 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.116 0.476 18705 1790 1 13 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.844 -1.358 18705 1791 1 13 . 1 1 13 13 ARG H H 13 8.518 8.518 8.382 0.136 18705 1792 1 13 . 1 1 14 14 GLU N N 14 117.264 117.264 118.517 -1.253 18705 1793 1 13 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.539 0.147 18705 1794 1 13 . 1 1 14 14 GLU C C 14 176.183 176.183 176.318 -0.135 18705 1795 1 13 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.338 -1.693 18705 1796 1 13 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.521 1.552 18705 1797 1 13 . 1 1 14 14 GLU H H 14 7.855 7.855 7.555 0.300 18705 1798 1 13 . 1 1 15 15 SER N N 15 114.972 114.972 114.807 0.165 18705 1799 1 13 . 1 1 15 15 SER HA H 15 4.807 4.807 4.710 0.097 18705 1800 1 13 . 1 1 15 15 SER C C 15 174.427 174.427 173.779 0.648 18705 1801 1 13 . 1 1 15 15 SER CA C 15 56.875 56.875 56.756 0.119 18705 1802 1 13 . 1 1 15 15 SER CB C 15 65.036 65.036 65.458 -0.422 18705 1803 1 13 . 1 1 15 15 SER H H 15 9.273 9.273 8.991 0.282 18705 1804 1 13 . 1 1 16 16 LEU N N 16 129.724 129.724 127.285 2.439 18705 1805 1 13 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.931 -0.140 18705 1806 1 13 . 1 1 16 16 LEU C C 16 177.525 177.525 177.696 -0.171 18705 1807 1 13 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.998 1.386 18705 1808 1 13 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.447 -1.010 18705 1809 1 13 . 1 1 16 16 LEU H H 16 9.076 9.076 8.892 0.184 18705 1810 1 13 . 1 1 17 17 SER N N 17 123.451 123.451 120.532 2.919 18705 1811 1 13 . 1 1 17 17 SER HA H 17 4.877 4.877 4.639 0.238 18705 1812 1 13 . 1 1 17 17 SER CA C 17 58.092 58.092 58.105 -0.013 18705 1813 1 13 . 1 1 17 17 SER CB C 17 65.350 65.350 64.748 0.602 18705 1814 1 13 . 1 1 17 17 SER H H 17 9.387 9.387 9.071 0.316 18705 1815 1 13 . 1 1 18 18 GLY N N 18 107.233 107.233 109.556 -2.323 18705 1816 1 13 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.062 -0.127 18705 1817 1 13 . 1 1 18 18 GLY H H 18 7.608 7.608 7.336 0.272 18705 1818 1 13 . 1 1 19 19 VAL N N 19 118.833 118.833 120.183 -1.350 18705 1819 1 13 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.584 0.481 18705 1820 1 13 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.475 -1.161 18705 1821 1 13 . 1 1 19 19 VAL CB C 19 35.289 35.289 33.034 2.255 18705 1822 1 13 . 1 1 19 19 VAL H H 19 8.692 8.692 8.335 0.357 18705 1823 1 13 . 1 1 20 20 CYS N N 20 121.714 121.714 127.498 -5.784 18705 1824 1 13 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.668 0.224 18705 1825 1 13 . 1 1 20 20 CYS C C 20 176.328 176.328 173.399 2.929 18705 1826 1 13 . 1 1 20 20 CYS CA C 20 54.476 54.476 58.684 -4.208 18705 1827 1 13 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.848 13.331 18705 1828 1 13 . 1 1 20 20 CYS H H 20 8.133 8.133 9.284 -1.151 18705 1829 1 13 . 1 1 22 22 ILE N N 22 124.351 124.351 125.943 -1.592 18705 1830 1 13 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.372 -0.031 18705 1831 1 13 . 1 1 22 22 ILE C C 22 176.380 176.380 175.703 0.677 18705 1832 1 13 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.205 1.055 18705 1833 1 13 . 1 1 22 22 ILE CB C 22 40.877 40.877 41.039 -0.162 18705 1834 1 13 . 1 1 22 22 ILE H H 22 8.865 8.865 8.984 -0.119 18705 1835 1 13 . 1 1 23 23 SER N N 23 124.886 124.886 123.004 1.882 18705 1836 1 13 . 1 1 23 23 SER HA H 23 4.108 4.108 4.094 0.014 18705 1837 1 13 . 1 1 23 23 SER CA C 23 58.444 58.444 59.218 -0.774 18705 1838 1 13 . 1 1 23 23 SER CB C 23 62.226 62.226 62.179 0.047 18705 1839 1 13 . 1 1 23 23 SER H H 23 9.633 9.633 9.081 0.552 18705 1840 1 13 . 1 1 24 24 GLY N N 24 104.151 104.151 106.932 -2.781 18705 1841 1 13 . 1 1 24 24 GLY C C 24 173.429 173.429 173.534 -0.105 18705 1842 1 13 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.887 0.346 18705 1843 1 13 . 1 1 24 24 GLY H H 24 8.635 8.635 8.357 0.278 18705 1844 1 13 . 1 1 25 25 ARG N N 25 121.072 121.072 120.473 0.599 18705 1845 1 13 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.699 -0.119 18705 1846 1 13 . 1 1 25 25 ARG C C 25 174.701 174.701 174.923 -0.222 18705 1847 1 13 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.643 -0.375 18705 1848 1 13 . 1 1 25 25 ARG CB C 25 32.556 32.556 33.005 -0.449 18705 1849 1 13 . 1 1 25 25 ARG H H 25 7.969 7.969 8.066 -0.097 18705 1850 1 13 . 1 1 26 26 LEU N N 26 124.251 124.251 124.279 -0.028 18705 1851 1 13 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.644 0.155 18705 1852 1 13 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.441 0.496 18705 1853 1 13 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.974 -0.127 18705 1854 1 13 . 1 1 26 26 LEU H H 26 8.161 8.161 8.561 -0.400 18705 1855 1 13 . 1 1 27 27 TYR N N 27 122.809 122.809 126.038 -3.229 18705 1856 1 13 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.853 -0.067 18705 1857 1 13 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.999 -2.900 18705 1858 1 13 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.579 -1.625 18705 1859 1 13 . 1 1 27 27 TYR H H 27 9.173 9.173 9.397 -0.224 18705 1860 1 13 . 1 1 29 29 LEU HA H 29 4.612 4.612 4.984 -0.372 18705 1861 1 13 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.599 -0.738 18705 1862 1 13 . 1 1 30 30 CYS N N 30 127.797 127.797 122.353 5.444 18705 1863 1 13 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.408 0.034 18705 1864 1 13 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.706 -1.248 18705 1865 1 13 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.695 14.457 18705 1866 1 13 . 1 1 30 30 CYS H H 30 9.020 9.020 8.152 0.868 18705 1867 1 13 . 1 1 31 31 CYS N N 31 120.526 120.526 123.012 -2.486 18705 1868 1 13 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.374 0.393 18705 1869 1 13 . 1 1 31 31 CYS C C 31 173.200 173.200 174.367 -1.167 18705 1870 1 13 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.802 -2.118 18705 1871 1 13 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.201 18.866 18705 1872 1 13 . 1 1 31 31 CYS H H 31 9.049 9.049 9.086 -0.037 18705 1873 1 14 . 1 1 2 2 THR N N 2 118.310 118.310 116.352 1.958 18705 1874 1 14 . 1 1 2 2 THR HA H 2 4.398 4.398 4.643 -0.245 18705 1875 1 14 . 1 1 2 2 THR CA C 2 62.489 62.489 62.050 0.439 18705 1876 1 14 . 1 1 2 2 THR CB C 2 70.031 70.031 69.377 0.654 18705 1877 1 14 . 1 1 2 2 THR H H 2 8.979 8.979 8.130 0.849 18705 1878 1 14 . 1 1 3 3 CYS N N 3 123.108 123.108 128.524 -5.416 18705 1879 1 14 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.081 0.572 18705 1880 1 14 . 1 1 3 3 CYS C C 3 172.018 172.018 174.669 -2.651 18705 1881 1 14 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.353 -3.284 18705 1882 1 14 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.408 22.310 18705 1883 1 14 . 1 1 3 3 CYS H H 3 8.541 8.541 9.157 -0.616 18705 1884 1 14 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.831 -0.222 18705 1885 1 14 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.457 0.161 18705 1886 1 14 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.191 2.991 18705 1887 1 14 . 1 1 5 5 CYS N N 5 119.803 119.803 120.985 -1.182 18705 1888 1 14 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.634 -1.022 18705 1889 1 14 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.856 -1.304 18705 1890 1 14 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.801 14.407 18705 1891 1 14 . 1 1 5 5 CYS H H 5 9.195 9.195 8.731 0.464 18705 1892 1 14 . 1 1 6 6 ARG N N 6 123.484 123.484 122.246 1.238 18705 1893 1 14 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.989 0.344 18705 1894 1 14 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.575 0.470 18705 1895 1 14 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.169 8.756 18705 1896 1 14 . 1 1 6 6 ARG H H 6 8.999 8.999 9.117 -0.118 18705 1897 1 14 . 1 1 7 7 THR N N 7 126.371 126.371 118.175 8.196 18705 1898 1 14 . 1 1 7 7 THR HA H 7 4.917 4.917 3.579 1.338 18705 1899 1 14 . 1 1 7 7 THR CA C 7 62.395 62.395 62.014 0.381 18705 1900 1 14 . 1 1 7 7 THR CB C 7 71.434 71.434 66.974 4.460 18705 1901 1 14 . 1 1 7 7 THR H H 7 9.531 9.531 8.691 0.840 18705 1902 1 14 . 1 1 8 8 GLY N N 8 112.530 112.530 110.348 2.182 18705 1903 1 14 . 1 1 8 8 GLY C C 8 172.685 172.685 172.004 0.681 18705 1904 1 14 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.521 0.288 18705 1905 1 14 . 1 1 8 8 GLY H H 8 8.004 8.004 7.455 0.549 18705 1906 1 14 . 1 1 9 9 ARG N N 9 119.486 119.486 119.187 0.299 18705 1907 1 14 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.350 -0.067 18705 1908 1 14 . 1 1 9 9 ARG C C 9 176.627 176.627 175.478 1.149 18705 1909 1 14 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.599 -0.851 18705 1910 1 14 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.302 0.116 18705 1911 1 14 . 1 1 9 9 ARG H H 9 8.183 8.183 8.364 -0.181 18705 1912 1 14 . 1 1 10 10 CYS N N 10 116.919 116.919 119.581 -2.662 18705 1913 1 14 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.556 0.318 18705 1914 1 14 . 1 1 10 10 CYS C C 10 174.788 174.788 174.317 0.471 18705 1915 1 14 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.042 -5.305 18705 1916 1 14 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.403 6.940 18705 1917 1 14 . 1 1 10 10 CYS H H 10 8.595 8.595 8.204 0.391 18705 1918 1 14 . 1 1 11 11 ALA N N 11 124.805 124.805 121.805 3.000 18705 1919 1 14 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.648 -0.215 18705 1920 1 14 . 1 1 11 11 ALA C C 11 177.552 177.552 178.634 -1.082 18705 1921 1 14 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.453 -0.071 18705 1922 1 14 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.820 -0.420 18705 1923 1 14 . 1 1 11 11 ALA H H 11 8.590 8.590 8.588 0.002 18705 1924 1 14 . 1 1 12 12 THR N N 12 114.885 114.885 115.324 -0.439 18705 1925 1 14 . 1 1 12 12 THR HA H 12 4.002 4.002 3.994 0.008 18705 1926 1 14 . 1 1 12 12 THR C C 12 174.815 174.815 175.469 -0.654 18705 1927 1 14 . 1 1 12 12 THR CA C 12 65.118 65.118 65.864 -0.746 18705 1928 1 14 . 1 1 12 12 THR CB C 12 68.792 68.792 68.904 -0.112 18705 1929 1 14 . 1 1 12 12 THR H H 12 8.238 8.238 8.527 -0.289 18705 1930 1 14 . 1 1 13 13 ARG N N 13 116.842 116.842 117.508 -0.666 18705 1931 1 14 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.195 -0.047 18705 1932 1 14 . 1 1 13 13 ARG C C 13 175.566 175.566 176.894 -1.328 18705 1933 1 14 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.259 0.333 18705 1934 1 14 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.860 -1.374 18705 1935 1 14 . 1 1 13 13 ARG H H 13 8.518 8.518 8.407 0.111 18705 1936 1 14 . 1 1 14 14 GLU N N 14 117.264 117.264 118.439 -1.175 18705 1937 1 14 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.458 0.228 18705 1938 1 14 . 1 1 14 14 GLU C C 14 176.183 176.183 176.324 -0.141 18705 1939 1 14 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.234 -1.589 18705 1940 1 14 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.611 1.462 18705 1941 1 14 . 1 1 14 14 GLU H H 14 7.855 7.855 7.637 0.218 18705 1942 1 14 . 1 1 15 15 SER N N 15 114.972 114.972 115.103 -0.131 18705 1943 1 14 . 1 1 15 15 SER HA H 15 4.807 4.807 4.663 0.144 18705 1944 1 14 . 1 1 15 15 SER C C 15 174.427 174.427 173.691 0.736 18705 1945 1 14 . 1 1 15 15 SER CA C 15 56.875 56.875 56.141 0.734 18705 1946 1 14 . 1 1 15 15 SER CB C 15 65.036 65.036 65.234 -0.198 18705 1947 1 14 . 1 1 15 15 SER H H 15 9.273 9.273 8.864 0.409 18705 1948 1 14 . 1 1 16 16 LEU N N 16 129.724 129.724 127.601 2.123 18705 1949 1 14 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.882 -0.091 18705 1950 1 14 . 1 1 16 16 LEU C C 16 177.525 177.525 177.766 -0.241 18705 1951 1 14 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.822 1.562 18705 1952 1 14 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.318 -0.881 18705 1953 1 14 . 1 1 16 16 LEU H H 16 9.076 9.076 8.884 0.192 18705 1954 1 14 . 1 1 17 17 SER N N 17 123.451 123.451 120.916 2.535 18705 1955 1 14 . 1 1 17 17 SER HA H 17 4.877 4.877 4.658 0.219 18705 1956 1 14 . 1 1 17 17 SER CA C 17 58.092 58.092 58.083 0.009 18705 1957 1 14 . 1 1 17 17 SER CB C 17 65.350 65.350 65.037 0.313 18705 1958 1 14 . 1 1 17 17 SER H H 17 9.387 9.387 9.155 0.232 18705 1959 1 14 . 1 1 18 18 GLY N N 18 107.233 107.233 109.801 -2.568 18705 1960 1 14 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.181 -0.246 18705 1961 1 14 . 1 1 18 18 GLY H H 18 7.608 7.608 7.302 0.306 18705 1962 1 14 . 1 1 19 19 VAL N N 19 118.833 118.833 120.403 -1.570 18705 1963 1 14 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.703 0.362 18705 1964 1 14 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.094 -0.780 18705 1965 1 14 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.769 2.520 18705 1966 1 14 . 1 1 19 19 VAL H H 19 8.692 8.692 8.328 0.364 18705 1967 1 14 . 1 1 20 20 CYS N N 20 121.714 121.714 127.930 -6.216 18705 1968 1 14 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.514 0.378 18705 1969 1 14 . 1 1 20 20 CYS C C 20 176.328 176.328 173.791 2.537 18705 1970 1 14 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.477 -5.001 18705 1971 1 14 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.363 13.815 18705 1972 1 14 . 1 1 20 20 CYS H H 20 8.133 8.133 9.191 -1.058 18705 1973 1 14 . 1 1 22 22 ILE N N 22 124.351 124.351 123.678 0.673 18705 1974 1 14 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.324 0.017 18705 1975 1 14 . 1 1 22 22 ILE C C 22 176.380 176.380 175.802 0.578 18705 1976 1 14 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.125 1.135 18705 1977 1 14 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.845 0.032 18705 1978 1 14 . 1 1 22 22 ILE H H 22 8.865 8.865 9.113 -0.248 18705 1979 1 14 . 1 1 23 23 SER N N 23 124.886 124.886 121.540 3.346 18705 1980 1 14 . 1 1 23 23 SER HA H 23 4.108 4.108 4.043 0.065 18705 1981 1 14 . 1 1 23 23 SER CA C 23 58.444 58.444 58.935 -0.491 18705 1982 1 14 . 1 1 23 23 SER CB C 23 62.226 62.226 62.170 0.056 18705 1983 1 14 . 1 1 23 23 SER H H 23 9.633 9.633 9.204 0.429 18705 1984 1 14 . 1 1 24 24 GLY N N 24 104.151 104.151 108.180 -4.029 18705 1985 1 14 . 1 1 24 24 GLY C C 24 173.429 173.429 173.729 -0.300 18705 1986 1 14 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.895 0.339 18705 1987 1 14 . 1 1 24 24 GLY H H 24 8.635 8.635 8.302 0.333 18705 1988 1 14 . 1 1 25 25 ARG N N 25 121.072 121.072 121.590 -0.518 18705 1989 1 14 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.604 -0.024 18705 1990 1 14 . 1 1 25 25 ARG C C 25 174.701 174.701 175.385 -0.684 18705 1991 1 14 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.289 -1.021 18705 1992 1 14 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.147 0.409 18705 1993 1 14 . 1 1 25 25 ARG H H 25 7.969 7.969 8.095 -0.126 18705 1994 1 14 . 1 1 26 26 LEU N N 26 124.251 124.251 125.544 -1.293 18705 1995 1 14 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.648 0.151 18705 1996 1 14 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.506 0.431 18705 1997 1 14 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.552 0.295 18705 1998 1 14 . 1 1 26 26 LEU H H 26 8.161 8.161 8.586 -0.425 18705 1999 1 14 . 1 1 27 27 TYR N N 27 122.809 122.809 123.466 -0.657 18705 2000 1 14 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.792 -0.006 18705 2001 1 14 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.055 -2.956 18705 2002 1 14 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.610 -1.656 18705 2003 1 14 . 1 1 27 27 TYR H H 27 9.173 9.173 9.285 -0.112 18705 2004 1 14 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.042 -0.430 18705 2005 1 14 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.564 -0.704 18705 2006 1 14 . 1 1 30 30 CYS N N 30 127.797 127.797 122.180 5.617 18705 2007 1 14 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.398 0.044 18705 2008 1 14 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.656 -1.198 18705 2009 1 14 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.700 14.452 18705 2010 1 14 . 1 1 30 30 CYS H H 30 9.020 9.020 8.066 0.954 18705 2011 1 14 . 1 1 31 31 CYS N N 31 120.526 120.526 123.271 -2.745 18705 2012 1 14 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.393 0.374 18705 2013 1 14 . 1 1 31 31 CYS C C 31 173.200 173.200 174.594 -1.394 18705 2014 1 14 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.810 -2.126 18705 2015 1 14 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.776 19.290 18705 2016 1 14 . 1 1 31 31 CYS H H 31 9.049 9.049 9.081 -0.032 18705 2017 1 15 . 1 1 2 2 THR N N 2 118.310 118.310 116.534 1.776 18705 2018 1 15 . 1 1 2 2 THR HA H 2 4.398 4.398 4.637 -0.239 18705 2019 1 15 . 1 1 2 2 THR CA C 2 62.489 62.489 61.513 0.976 18705 2020 1 15 . 1 1 2 2 THR CB C 2 70.031 70.031 69.999 0.032 18705 2021 1 15 . 1 1 2 2 THR H H 2 8.979 8.979 8.112 0.867 18705 2022 1 15 . 1 1 3 3 CYS N N 3 123.108 123.108 128.282 -5.174 18705 2023 1 15 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.159 0.494 18705 2024 1 15 . 1 1 3 3 CYS C C 3 172.018 172.018 174.435 -2.417 18705 2025 1 15 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.184 -3.115 18705 2026 1 15 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.276 22.442 18705 2027 1 15 . 1 1 3 3 CYS H H 3 8.541 8.541 9.151 -0.610 18705 2028 1 15 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.858 -0.249 18705 2029 1 15 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.392 0.226 18705 2030 1 15 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.211 2.971 18705 2031 1 15 . 1 1 5 5 CYS N N 5 119.803 119.803 121.563 -1.760 18705 2032 1 15 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.649 -1.037 18705 2033 1 15 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.801 -1.248 18705 2034 1 15 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.742 14.466 18705 2035 1 15 . 1 1 5 5 CYS H H 5 9.195 9.195 8.777 0.418 18705 2036 1 15 . 1 1 6 6 ARG N N 6 123.484 123.484 122.766 0.718 18705 2037 1 15 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.966 0.367 18705 2038 1 15 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.426 0.619 18705 2039 1 15 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.424 8.501 18705 2040 1 15 . 1 1 6 6 ARG H H 6 8.999 8.999 9.171 -0.172 18705 2041 1 15 . 1 1 7 7 THR N N 7 126.371 126.371 117.637 8.734 18705 2042 1 15 . 1 1 7 7 THR HA H 7 4.917 4.917 3.462 1.455 18705 2043 1 15 . 1 1 7 7 THR CA C 7 62.395 62.395 61.536 0.859 18705 2044 1 15 . 1 1 7 7 THR CB C 7 71.434 71.434 67.490 3.944 18705 2045 1 15 . 1 1 7 7 THR H H 7 9.531 9.531 8.788 0.743 18705 2046 1 15 . 1 1 8 8 GLY N N 8 112.530 112.530 111.254 1.276 18705 2047 1 15 . 1 1 8 8 GLY C C 8 172.685 172.685 172.114 0.571 18705 2048 1 15 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.547 0.262 18705 2049 1 15 . 1 1 8 8 GLY H H 8 8.004 8.004 7.658 0.346 18705 2050 1 15 . 1 1 9 9 ARG N N 9 119.486 119.486 119.061 0.425 18705 2051 1 15 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.378 -0.095 18705 2052 1 15 . 1 1 9 9 ARG C C 9 176.627 176.627 175.610 1.017 18705 2053 1 15 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.760 -1.012 18705 2054 1 15 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.514 -0.096 18705 2055 1 15 . 1 1 9 9 ARG H H 9 8.183 8.183 8.353 -0.170 18705 2056 1 15 . 1 1 10 10 CYS N N 10 116.919 116.919 117.557 -0.638 18705 2057 1 15 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.536 0.338 18705 2058 1 15 . 1 1 10 10 CYS C C 10 174.788 174.788 174.350 0.438 18705 2059 1 15 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.099 -5.362 18705 2060 1 15 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.692 6.651 18705 2061 1 15 . 1 1 10 10 CYS H H 10 8.595 8.595 8.186 0.409 18705 2062 1 15 . 1 1 11 11 ALA N N 11 124.805 124.805 122.404 2.401 18705 2063 1 15 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.586 -0.153 18705 2064 1 15 . 1 1 11 11 ALA C C 11 177.552 177.552 178.949 -1.397 18705 2065 1 15 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.647 -0.266 18705 2066 1 15 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.601 -0.201 18705 2067 1 15 . 1 1 11 11 ALA H H 11 8.590 8.590 8.681 -0.091 18705 2068 1 15 . 1 1 12 12 THR N N 12 114.885 114.885 115.743 -0.858 18705 2069 1 15 . 1 1 12 12 THR HA H 12 4.002 4.002 4.047 -0.045 18705 2070 1 15 . 1 1 12 12 THR C C 12 174.815 174.815 175.599 -0.784 18705 2071 1 15 . 1 1 12 12 THR CA C 12 65.118 65.118 65.386 -0.268 18705 2072 1 15 . 1 1 12 12 THR CB C 12 68.792 68.792 68.660 0.132 18705 2073 1 15 . 1 1 12 12 THR H H 12 8.238 8.238 8.491 -0.253 18705 2074 1 15 . 1 1 13 13 ARG N N 13 116.842 116.842 118.124 -1.282 18705 2075 1 15 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.194 -0.046 18705 2076 1 15 . 1 1 13 13 ARG C C 13 175.566 175.566 176.955 -1.389 18705 2077 1 15 . 1 1 13 13 ARG CA C 13 57.592 57.592 56.979 0.613 18705 2078 1 15 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.886 -1.400 18705 2079 1 15 . 1 1 13 13 ARG H H 13 8.518 8.518 8.384 0.134 18705 2080 1 15 . 1 1 14 14 GLU N N 14 117.264 117.264 118.487 -1.223 18705 2081 1 15 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.557 0.129 18705 2082 1 15 . 1 1 14 14 GLU C C 14 176.183 176.183 176.371 -0.188 18705 2083 1 15 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.351 -1.706 18705 2084 1 15 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.555 1.518 18705 2085 1 15 . 1 1 14 14 GLU H H 14 7.855 7.855 7.492 0.363 18705 2086 1 15 . 1 1 15 15 SER N N 15 114.972 114.972 114.854 0.118 18705 2087 1 15 . 1 1 15 15 SER HA H 15 4.807 4.807 4.665 0.142 18705 2088 1 15 . 1 1 15 15 SER C C 15 174.427 174.427 173.770 0.657 18705 2089 1 15 . 1 1 15 15 SER CA C 15 56.875 56.875 56.371 0.504 18705 2090 1 15 . 1 1 15 15 SER CB C 15 65.036 65.036 65.482 -0.446 18705 2091 1 15 . 1 1 15 15 SER H H 15 9.273 9.273 8.885 0.388 18705 2092 1 15 . 1 1 16 16 LEU N N 16 129.724 129.724 127.312 2.412 18705 2093 1 15 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.949 -0.158 18705 2094 1 15 . 1 1 16 16 LEU C C 16 177.525 177.525 177.648 -0.123 18705 2095 1 15 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.664 1.720 18705 2096 1 15 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.358 -0.921 18705 2097 1 15 . 1 1 16 16 LEU H H 16 9.076 9.076 8.864 0.212 18705 2098 1 15 . 1 1 17 17 SER N N 17 123.451 123.451 121.164 2.287 18705 2099 1 15 . 1 1 17 17 SER HA H 17 4.877 4.877 4.643 0.234 18705 2100 1 15 . 1 1 17 17 SER CA C 17 58.092 58.092 58.075 0.017 18705 2101 1 15 . 1 1 17 17 SER CB C 17 65.350 65.350 64.810 0.540 18705 2102 1 15 . 1 1 17 17 SER H H 17 9.387 9.387 9.136 0.251 18705 2103 1 15 . 1 1 18 18 GLY N N 18 107.233 107.233 109.391 -2.158 18705 2104 1 15 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.398 -0.463 18705 2105 1 15 . 1 1 18 18 GLY H H 18 7.608 7.608 7.303 0.305 18705 2106 1 15 . 1 1 19 19 VAL N N 19 118.833 118.833 120.520 -1.687 18705 2107 1 15 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.861 0.204 18705 2108 1 15 . 1 1 19 19 VAL CA C 19 60.314 60.314 61.542 -1.228 18705 2109 1 15 . 1 1 19 19 VAL CB C 19 35.289 35.289 33.238 2.051 18705 2110 1 15 . 1 1 19 19 VAL H H 19 8.692 8.692 8.117 0.575 18705 2111 1 15 . 1 1 20 20 CYS N N 20 121.714 121.714 128.252 -6.538 18705 2112 1 15 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.552 0.340 18705 2113 1 15 . 1 1 20 20 CYS C C 20 176.328 176.328 173.791 2.537 18705 2114 1 15 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.422 -4.946 18705 2115 1 15 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.430 13.748 18705 2116 1 15 . 1 1 20 20 CYS H H 20 8.133 8.133 9.261 -1.128 18705 2117 1 15 . 1 1 22 22 ILE N N 22 124.351 124.351 123.783 0.568 18705 2118 1 15 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.346 -0.005 18705 2119 1 15 . 1 1 22 22 ILE C C 22 176.380 176.380 175.938 0.442 18705 2120 1 15 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.146 1.114 18705 2121 1 15 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.660 0.217 18705 2122 1 15 . 1 1 22 22 ILE H H 22 8.865 8.865 9.074 -0.209 18705 2123 1 15 . 1 1 23 23 SER N N 23 124.886 124.886 122.795 2.091 18705 2124 1 15 . 1 1 23 23 SER HA H 23 4.108 4.108 4.077 0.031 18705 2125 1 15 . 1 1 23 23 SER CA C 23 58.444 58.444 58.973 -0.529 18705 2126 1 15 . 1 1 23 23 SER CB C 23 62.226 62.226 62.587 -0.361 18705 2127 1 15 . 1 1 23 23 SER H H 23 9.633 9.633 9.103 0.530 18705 2128 1 15 . 1 1 24 24 GLY N N 24 104.151 104.151 106.757 -2.606 18705 2129 1 15 . 1 1 24 24 GLY C C 24 173.429 173.429 173.729 -0.300 18705 2130 1 15 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.818 0.415 18705 2131 1 15 . 1 1 24 24 GLY H H 24 8.635 8.635 8.289 0.346 18705 2132 1 15 . 1 1 25 25 ARG N N 25 121.072 121.072 120.435 0.637 18705 2133 1 15 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.750 -0.170 18705 2134 1 15 . 1 1 25 25 ARG C C 25 174.701 174.701 174.888 -0.187 18705 2135 1 15 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.450 -0.182 18705 2136 1 15 . 1 1 25 25 ARG CB C 25 32.556 32.556 33.042 -0.486 18705 2137 1 15 . 1 1 25 25 ARG H H 25 7.969 7.969 8.064 -0.095 18705 2138 1 15 . 1 1 26 26 LEU N N 26 124.251 124.251 125.003 -0.752 18705 2139 1 15 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.764 0.035 18705 2140 1 15 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.290 0.647 18705 2141 1 15 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.580 0.267 18705 2142 1 15 . 1 1 26 26 LEU H H 26 8.161 8.161 8.599 -0.438 18705 2143 1 15 . 1 1 27 27 TYR N N 27 122.809 122.809 123.836 -1.027 18705 2144 1 15 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.782 0.004 18705 2145 1 15 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.904 -2.805 18705 2146 1 15 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.629 -1.675 18705 2147 1 15 . 1 1 27 27 TYR H H 27 9.173 9.173 9.243 -0.070 18705 2148 1 15 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.016 -0.404 18705 2149 1 15 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.854 -0.994 18705 2150 1 15 . 1 1 30 30 CYS N N 30 127.797 127.797 122.550 5.247 18705 2151 1 15 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.463 -0.021 18705 2152 1 15 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.666 -1.208 18705 2153 1 15 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.706 14.446 18705 2154 1 15 . 1 1 30 30 CYS H H 30 9.020 9.020 8.150 0.870 18705 2155 1 15 . 1 1 31 31 CYS N N 31 120.526 120.526 123.024 -2.498 18705 2156 1 15 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.433 0.334 18705 2157 1 15 . 1 1 31 31 CYS C C 31 173.200 173.200 174.355 -1.155 18705 2158 1 15 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.825 -2.141 18705 2159 1 15 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.294 18.773 18705 2160 1 15 . 1 1 31 31 CYS H H 31 9.049 9.049 9.074 -0.025 18705 2161 1 16 . 1 1 2 2 THR N N 2 118.310 118.310 116.362 1.948 18705 2162 1 16 . 1 1 2 2 THR HA H 2 4.398 4.398 4.631 -0.233 18705 2163 1 16 . 1 1 2 2 THR CA C 2 62.489 62.489 61.969 0.520 18705 2164 1 16 . 1 1 2 2 THR CB C 2 70.031 70.031 69.522 0.509 18705 2165 1 16 . 1 1 2 2 THR H H 2 8.979 8.979 8.294 0.685 18705 2166 1 16 . 1 1 3 3 CYS N N 3 123.108 123.108 128.524 -5.416 18705 2167 1 16 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.155 0.498 18705 2168 1 16 . 1 1 3 3 CYS C C 3 172.018 172.018 174.652 -2.634 18705 2169 1 16 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.300 -3.231 18705 2170 1 16 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.468 22.250 18705 2171 1 16 . 1 1 3 3 CYS H H 3 8.541 8.541 9.149 -0.608 18705 2172 1 16 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.837 -0.228 18705 2173 1 16 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.470 0.148 18705 2174 1 16 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.146 3.036 18705 2175 1 16 . 1 1 5 5 CYS N N 5 119.803 119.803 121.460 -1.657 18705 2176 1 16 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.679 -1.067 18705 2177 1 16 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.890 -1.337 18705 2178 1 16 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.648 14.559 18705 2179 1 16 . 1 1 5 5 CYS H H 5 9.195 9.195 8.765 0.430 18705 2180 1 16 . 1 1 6 6 ARG N N 6 123.484 123.484 122.309 1.175 18705 2181 1 16 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.004 0.329 18705 2182 1 16 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.598 0.447 18705 2183 1 16 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.250 8.675 18705 2184 1 16 . 1 1 6 6 ARG H H 6 8.999 8.999 9.122 -0.123 18705 2185 1 16 . 1 1 7 7 THR N N 7 126.371 126.371 117.290 9.081 18705 2186 1 16 . 1 1 7 7 THR HA H 7 4.917 4.917 3.650 1.267 18705 2187 1 16 . 1 1 7 7 THR CA C 7 62.395 62.395 62.050 0.345 18705 2188 1 16 . 1 1 7 7 THR CB C 7 71.434 71.434 67.348 4.086 18705 2189 1 16 . 1 1 7 7 THR H H 7 9.531 9.531 8.487 1.044 18705 2190 1 16 . 1 1 8 8 GLY N N 8 112.530 112.530 111.026 1.504 18705 2191 1 16 . 1 1 8 8 GLY C C 8 172.685 172.685 172.298 0.387 18705 2192 1 16 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.131 0.678 18705 2193 1 16 . 1 1 8 8 GLY H H 8 8.004 8.004 7.441 0.563 18705 2194 1 16 . 1 1 9 9 ARG N N 9 119.486 119.486 119.151 0.335 18705 2195 1 16 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.281 0.002 18705 2196 1 16 . 1 1 9 9 ARG C C 9 176.627 176.627 175.072 1.555 18705 2197 1 16 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.729 -0.981 18705 2198 1 16 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.375 0.043 18705 2199 1 16 . 1 1 9 9 ARG H H 9 8.183 8.183 8.378 -0.195 18705 2200 1 16 . 1 1 10 10 CYS N N 10 116.919 116.919 118.597 -1.678 18705 2201 1 16 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.522 0.352 18705 2202 1 16 . 1 1 10 10 CYS C C 10 174.788 174.788 174.127 0.661 18705 2203 1 16 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.123 -5.386 18705 2204 1 16 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.065 6.278 18705 2205 1 16 . 1 1 10 10 CYS H H 10 8.595 8.595 8.226 0.369 18705 2206 1 16 . 1 1 11 11 ALA N N 11 124.805 124.805 122.375 2.430 18705 2207 1 16 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.543 -0.110 18705 2208 1 16 . 1 1 11 11 ALA C C 11 177.552 177.552 178.799 -1.247 18705 2209 1 16 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.737 -0.356 18705 2210 1 16 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.538 -0.138 18705 2211 1 16 . 1 1 11 11 ALA H H 11 8.590 8.590 8.829 -0.238 18705 2212 1 16 . 1 1 12 12 THR N N 12 114.885 114.885 115.577 -0.692 18705 2213 1 16 . 1 1 12 12 THR HA H 12 4.002 4.002 4.055 -0.053 18705 2214 1 16 . 1 1 12 12 THR C C 12 174.815 174.815 175.619 -0.804 18705 2215 1 16 . 1 1 12 12 THR CA C 12 65.118 65.118 65.600 -0.482 18705 2216 1 16 . 1 1 12 12 THR CB C 12 68.792 68.792 68.764 0.028 18705 2217 1 16 . 1 1 12 12 THR H H 12 8.238 8.238 8.471 -0.233 18705 2218 1 16 . 1 1 13 13 ARG N N 13 116.842 116.842 118.080 -1.238 18705 2219 1 16 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.202 -0.054 18705 2220 1 16 . 1 1 13 13 ARG C C 13 175.566 175.566 177.007 -1.441 18705 2221 1 16 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.149 0.443 18705 2222 1 16 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.960 -1.474 18705 2223 1 16 . 1 1 13 13 ARG H H 13 8.518 8.518 8.357 0.162 18705 2224 1 16 . 1 1 14 14 GLU N N 14 117.264 117.264 118.432 -1.168 18705 2225 1 16 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.411 0.275 18705 2226 1 16 . 1 1 14 14 GLU C C 14 176.183 176.183 176.111 0.072 18705 2227 1 16 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.398 -1.753 18705 2228 1 16 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.522 1.551 18705 2229 1 16 . 1 1 14 14 GLU H H 14 7.855 7.855 7.441 0.414 18705 2230 1 16 . 1 1 15 15 SER N N 15 114.972 114.972 114.386 0.586 18705 2231 1 16 . 1 1 15 15 SER HA H 15 4.807 4.807 4.654 0.153 18705 2232 1 16 . 1 1 15 15 SER C C 15 174.427 174.427 173.838 0.589 18705 2233 1 16 . 1 1 15 15 SER CA C 15 56.875 56.875 56.958 -0.083 18705 2234 1 16 . 1 1 15 15 SER CB C 15 65.036 65.036 65.607 -0.571 18705 2235 1 16 . 1 1 15 15 SER H H 15 9.273 9.273 8.805 0.468 18705 2236 1 16 . 1 1 16 16 LEU N N 16 129.724 129.724 127.321 2.403 18705 2237 1 16 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.892 -0.101 18705 2238 1 16 . 1 1 16 16 LEU C C 16 177.525 177.525 177.615 -0.090 18705 2239 1 16 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.018 1.366 18705 2240 1 16 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.110 -0.673 18705 2241 1 16 . 1 1 16 16 LEU H H 16 9.076 9.076 8.878 0.198 18705 2242 1 16 . 1 1 17 17 SER N N 17 123.451 123.451 121.234 2.217 18705 2243 1 16 . 1 1 17 17 SER HA H 17 4.877 4.877 4.648 0.229 18705 2244 1 16 . 1 1 17 17 SER CA C 17 58.092 58.092 58.078 0.014 18705 2245 1 16 . 1 1 17 17 SER CB C 17 65.350 65.350 64.899 0.451 18705 2246 1 16 . 1 1 17 17 SER H H 17 9.387 9.387 9.163 0.224 18705 2247 1 16 . 1 1 18 18 GLY N N 18 107.233 107.233 109.314 -2.081 18705 2248 1 16 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.289 -0.354 18705 2249 1 16 . 1 1 18 18 GLY H H 18 7.608 7.608 7.321 0.287 18705 2250 1 16 . 1 1 19 19 VAL N N 19 118.833 118.833 119.939 -1.106 18705 2251 1 16 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.914 0.151 18705 2252 1 16 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.067 0.247 18705 2253 1 16 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.645 2.644 18705 2254 1 16 . 1 1 19 19 VAL H H 19 8.692 8.692 8.164 0.528 18705 2255 1 16 . 1 1 20 20 CYS N N 20 121.714 121.714 128.398 -6.684 18705 2256 1 16 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.577 0.315 18705 2257 1 16 . 1 1 20 20 CYS C C 20 176.328 176.328 173.912 2.416 18705 2258 1 16 . 1 1 20 20 CYS CA C 20 54.476 54.476 58.970 -4.494 18705 2259 1 16 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.461 13.717 18705 2260 1 16 . 1 1 20 20 CYS H H 20 8.133 8.133 9.177 -1.044 18705 2261 1 16 . 1 1 22 22 ILE N N 22 124.351 124.351 124.140 0.211 18705 2262 1 16 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.286 0.055 18705 2263 1 16 . 1 1 22 22 ILE C C 22 176.380 176.380 175.904 0.476 18705 2264 1 16 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.125 1.135 18705 2265 1 16 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.934 -0.057 18705 2266 1 16 . 1 1 22 22 ILE H H 22 8.865 8.865 9.058 -0.193 18705 2267 1 16 . 1 1 23 23 SER N N 23 124.886 124.886 123.542 1.344 18705 2268 1 16 . 1 1 23 23 SER HA H 23 4.108 4.108 4.093 0.015 18705 2269 1 16 . 1 1 23 23 SER CA C 23 58.444 58.444 59.325 -0.881 18705 2270 1 16 . 1 1 23 23 SER CB C 23 62.226 62.226 62.192 0.034 18705 2271 1 16 . 1 1 23 23 SER H H 23 9.633 9.633 9.202 0.431 18705 2272 1 16 . 1 1 24 24 GLY N N 24 104.151 104.151 106.914 -2.763 18705 2273 1 16 . 1 1 24 24 GLY C C 24 173.429 173.429 173.689 -0.260 18705 2274 1 16 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.054 0.179 18705 2275 1 16 . 1 1 24 24 GLY H H 24 8.635 8.635 8.445 0.190 18705 2276 1 16 . 1 1 25 25 ARG N N 25 121.072 121.072 121.367 -0.295 18705 2277 1 16 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.763 -0.183 18705 2278 1 16 . 1 1 25 25 ARG C C 25 174.701 174.701 174.767 -0.066 18705 2279 1 16 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.768 -0.500 18705 2280 1 16 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.674 -0.118 18705 2281 1 16 . 1 1 25 25 ARG H H 25 7.969 7.969 7.952 0.017 18705 2282 1 16 . 1 1 26 26 LEU N N 26 124.251 124.251 125.167 -0.916 18705 2283 1 16 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.837 -0.038 18705 2284 1 16 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.214 0.723 18705 2285 1 16 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.242 0.605 18705 2286 1 16 . 1 1 26 26 LEU H H 26 8.161 8.161 8.577 -0.416 18705 2287 1 16 . 1 1 27 27 TYR N N 27 122.809 122.809 124.505 -1.696 18705 2288 1 16 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.763 0.023 18705 2289 1 16 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.632 -2.533 18705 2290 1 16 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.224 -1.270 18705 2291 1 16 . 1 1 27 27 TYR H H 27 9.173 9.173 8.932 0.241 18705 2292 1 16 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.020 -0.408 18705 2293 1 16 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.810 -0.950 18705 2294 1 16 . 1 1 30 30 CYS N N 30 127.797 127.797 122.337 5.460 18705 2295 1 16 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.383 0.059 18705 2296 1 16 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.695 -1.237 18705 2297 1 16 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.727 14.425 18705 2298 1 16 . 1 1 30 30 CYS H H 30 9.020 9.020 8.161 0.859 18705 2299 1 16 . 1 1 31 31 CYS N N 31 120.526 120.526 123.165 -2.639 18705 2300 1 16 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.354 0.413 18705 2301 1 16 . 1 1 31 31 CYS C C 31 173.200 173.200 174.575 -1.375 18705 2302 1 16 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.944 -2.260 18705 2303 1 16 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.878 19.189 18705 2304 1 16 . 1 1 31 31 CYS H H 31 9.049 9.049 9.022 0.027 18705 2305 1 17 . 1 1 2 2 THR N N 2 118.310 118.310 116.404 1.906 18705 2306 1 17 . 1 1 2 2 THR HA H 2 4.398 4.398 4.659 -0.261 18705 2307 1 17 . 1 1 2 2 THR CA C 2 62.489 62.489 61.559 0.930 18705 2308 1 17 . 1 1 2 2 THR CB C 2 70.031 70.031 70.140 -0.109 18705 2309 1 17 . 1 1 2 2 THR H H 2 8.979 8.979 8.744 0.235 18705 2310 1 17 . 1 1 3 3 CYS N N 3 123.108 123.108 128.328 -5.220 18705 2311 1 17 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.051 0.602 18705 2312 1 17 . 1 1 3 3 CYS C C 3 172.018 172.018 174.356 -2.338 18705 2313 1 17 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.461 -3.392 18705 2314 1 17 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.116 22.602 18705 2315 1 17 . 1 1 3 3 CYS H H 3 8.541 8.541 9.165 -0.624 18705 2316 1 17 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.818 -0.209 18705 2317 1 17 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.518 0.100 18705 2318 1 17 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.041 3.141 18705 2319 1 17 . 1 1 5 5 CYS N N 5 119.803 119.803 122.065 -2.262 18705 2320 1 17 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.727 -1.115 18705 2321 1 17 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.785 -1.232 18705 2322 1 17 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.630 14.579 18705 2323 1 17 . 1 1 5 5 CYS H H 5 9.195 9.195 8.803 0.392 18705 2324 1 17 . 1 1 6 6 ARG N N 6 123.484 123.484 124.182 -0.698 18705 2325 1 17 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.000 0.333 18705 2326 1 17 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.504 0.541 18705 2327 1 17 . 1 1 6 6 ARG CB C 6 40.925 40.925 33.023 7.902 18705 2328 1 17 . 1 1 6 6 ARG H H 6 8.999 8.999 9.353 -0.354 18705 2329 1 17 . 1 1 7 7 THR N N 7 126.371 126.371 118.474 7.897 18705 2330 1 17 . 1 1 7 7 THR HA H 7 4.917 4.917 3.674 1.243 18705 2331 1 17 . 1 1 7 7 THR CA C 7 62.395 62.395 62.779 -0.383 18705 2332 1 17 . 1 1 7 7 THR CB C 7 71.434 71.434 67.304 4.130 18705 2333 1 17 . 1 1 7 7 THR H H 7 9.531 9.531 8.704 0.827 18705 2334 1 17 . 1 1 8 8 GLY N N 8 112.530 112.530 115.213 -2.683 18705 2335 1 17 . 1 1 8 8 GLY C C 8 172.685 172.685 172.847 -0.162 18705 2336 1 17 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.745 0.063 18705 2337 1 17 . 1 1 8 8 GLY H H 8 8.004 8.004 7.714 0.290 18705 2338 1 17 . 1 1 9 9 ARG N N 9 119.486 119.486 119.409 0.077 18705 2339 1 17 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.477 -0.194 18705 2340 1 17 . 1 1 9 9 ARG C C 9 176.627 176.627 175.077 1.550 18705 2341 1 17 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.281 -0.532 18705 2342 1 17 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.075 0.343 18705 2343 1 17 . 1 1 9 9 ARG H H 9 8.183 8.183 8.296 -0.113 18705 2344 1 17 . 1 1 10 10 CYS N N 10 116.919 116.919 118.904 -1.985 18705 2345 1 17 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.597 0.277 18705 2346 1 17 . 1 1 10 10 CYS C C 10 174.788 174.788 174.016 0.772 18705 2347 1 17 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.356 -5.619 18705 2348 1 17 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.166 6.178 18705 2349 1 17 . 1 1 10 10 CYS H H 10 8.595 8.595 8.480 0.115 18705 2350 1 17 . 1 1 11 11 ALA N N 11 124.805 124.805 121.795 3.010 18705 2351 1 17 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.628 -0.195 18705 2352 1 17 . 1 1 11 11 ALA C C 11 177.552 177.552 178.474 -0.922 18705 2353 1 17 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.577 -0.196 18705 2354 1 17 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.769 -0.369 18705 2355 1 17 . 1 1 11 11 ALA H H 11 8.590 8.590 8.645 -0.055 18705 2356 1 17 . 1 1 12 12 THR N N 12 114.885 114.885 115.459 -0.574 18705 2357 1 17 . 1 1 12 12 THR HA H 12 4.002 4.002 4.001 0.001 18705 2358 1 17 . 1 1 12 12 THR C C 12 174.815 174.815 175.496 -0.681 18705 2359 1 17 . 1 1 12 12 THR CA C 12 65.118 65.118 65.933 -0.815 18705 2360 1 17 . 1 1 12 12 THR CB C 12 68.792 68.792 68.895 -0.103 18705 2361 1 17 . 1 1 12 12 THR H H 12 8.238 8.238 8.521 -0.283 18705 2362 1 17 . 1 1 13 13 ARG N N 13 116.842 116.842 117.571 -0.729 18705 2363 1 17 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.201 -0.053 18705 2364 1 17 . 1 1 13 13 ARG C C 13 175.566 175.566 176.997 -1.431 18705 2365 1 17 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.231 0.361 18705 2366 1 17 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.815 -1.329 18705 2367 1 17 . 1 1 13 13 ARG H H 13 8.518 8.518 8.410 0.108 18705 2368 1 17 . 1 1 14 14 GLU N N 14 117.264 117.264 118.379 -1.115 18705 2369 1 17 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.405 0.281 18705 2370 1 17 . 1 1 14 14 GLU C C 14 176.183 176.183 176.204 -0.021 18705 2371 1 17 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.377 -1.732 18705 2372 1 17 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.500 1.573 18705 2373 1 17 . 1 1 14 14 GLU H H 14 7.855 7.855 7.567 0.288 18705 2374 1 17 . 1 1 15 15 SER N N 15 114.972 114.972 114.073 0.899 18705 2375 1 17 . 1 1 15 15 SER HA H 15 4.807 4.807 4.664 0.143 18705 2376 1 17 . 1 1 15 15 SER C C 15 174.427 174.427 173.774 0.653 18705 2377 1 17 . 1 1 15 15 SER CA C 15 56.875 56.875 56.932 -0.057 18705 2378 1 17 . 1 1 15 15 SER CB C 15 65.036 65.036 65.622 -0.586 18705 2379 1 17 . 1 1 15 15 SER H H 15 9.273 9.273 8.736 0.537 18705 2380 1 17 . 1 1 16 16 LEU N N 16 129.724 129.724 127.295 2.429 18705 2381 1 17 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.910 -0.119 18705 2382 1 17 . 1 1 16 16 LEU C C 16 177.525 177.525 177.738 -0.213 18705 2383 1 17 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.034 1.350 18705 2384 1 17 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.245 -0.808 18705 2385 1 17 . 1 1 16 16 LEU H H 16 9.076 9.076 8.880 0.196 18705 2386 1 17 . 1 1 17 17 SER N N 17 123.451 123.451 120.760 2.691 18705 2387 1 17 . 1 1 17 17 SER HA H 17 4.877 4.877 4.599 0.278 18705 2388 1 17 . 1 1 17 17 SER CA C 17 58.092 58.092 58.185 -0.093 18705 2389 1 17 . 1 1 17 17 SER CB C 17 65.350 65.350 64.489 0.861 18705 2390 1 17 . 1 1 17 17 SER H H 17 9.387 9.387 9.074 0.313 18705 2391 1 17 . 1 1 18 18 GLY N N 18 107.233 107.233 109.315 -2.082 18705 2392 1 17 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.075 -0.140 18705 2393 1 17 . 1 1 18 18 GLY H H 18 7.608 7.608 7.356 0.252 18705 2394 1 17 . 1 1 19 19 VAL N N 19 118.833 118.833 120.132 -1.299 18705 2395 1 17 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.859 0.206 18705 2396 1 17 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.473 -0.159 18705 2397 1 17 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.595 2.694 18705 2398 1 17 . 1 1 19 19 VAL H H 19 8.692 8.692 8.164 0.528 18705 2399 1 17 . 1 1 20 20 CYS N N 20 121.714 121.714 128.258 -6.544 18705 2400 1 17 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.578 0.314 18705 2401 1 17 . 1 1 20 20 CYS C C 20 176.328 176.328 173.491 2.837 18705 2402 1 17 . 1 1 20 20 CYS CA C 20 54.476 54.476 58.836 -4.359 18705 2403 1 17 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.201 13.977 18705 2404 1 17 . 1 1 20 20 CYS H H 20 8.133 8.133 9.167 -1.034 18705 2405 1 17 . 1 1 22 22 ILE N N 22 124.351 124.351 123.731 0.620 18705 2406 1 17 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.438 -0.097 18705 2407 1 17 . 1 1 22 22 ILE C C 22 176.380 176.380 176.065 0.315 18705 2408 1 17 . 1 1 22 22 ILE CA C 22 61.260 61.260 59.472 1.788 18705 2409 1 17 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.067 0.810 18705 2410 1 17 . 1 1 22 22 ILE H H 22 8.865 8.865 9.103 -0.238 18705 2411 1 17 . 1 1 23 23 SER N N 23 124.886 124.886 120.603 4.283 18705 2412 1 17 . 1 1 23 23 SER HA H 23 4.108 4.108 4.081 0.027 18705 2413 1 17 . 1 1 23 23 SER CA C 23 58.444 58.444 58.970 -0.526 18705 2414 1 17 . 1 1 23 23 SER CB C 23 62.226 62.226 62.520 -0.294 18705 2415 1 17 . 1 1 23 23 SER H H 23 9.633 9.633 9.058 0.575 18705 2416 1 17 . 1 1 24 24 GLY N N 24 104.151 104.151 107.098 -2.947 18705 2417 1 17 . 1 1 24 24 GLY C C 24 173.429 173.429 174.226 -0.797 18705 2418 1 17 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.770 0.463 18705 2419 1 17 . 1 1 24 24 GLY H H 24 8.635 8.635 8.111 0.524 18705 2420 1 17 . 1 1 25 25 ARG N N 25 121.072 121.072 121.876 -0.804 18705 2421 1 17 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.495 0.085 18705 2422 1 17 . 1 1 25 25 ARG C C 25 174.701 174.701 175.762 -1.061 18705 2423 1 17 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.791 -1.523 18705 2424 1 17 . 1 1 25 25 ARG CB C 25 32.556 32.556 31.645 0.910 18705 2425 1 17 . 1 1 25 25 ARG H H 25 7.969 7.969 8.046 -0.077 18705 2426 1 17 . 1 1 26 26 LEU N N 26 124.251 124.251 124.134 0.117 18705 2427 1 17 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.501 0.298 18705 2428 1 17 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.128 0.809 18705 2429 1 17 . 1 1 26 26 LEU CB C 26 42.847 42.847 41.832 1.015 18705 2430 1 17 . 1 1 26 26 LEU H H 26 8.161 8.161 8.447 -0.286 18705 2431 1 17 . 1 1 27 27 TYR N N 27 122.809 122.809 122.208 0.601 18705 2432 1 17 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.717 0.069 18705 2433 1 17 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.298 -3.199 18705 2434 1 17 . 1 1 27 27 TYR CB C 27 40.954 40.954 43.087 -2.133 18705 2435 1 17 . 1 1 27 27 TYR H H 27 9.173 9.173 8.573 0.600 18705 2436 1 17 . 1 1 29 29 LEU HA H 29 4.612 4.612 4.977 -0.365 18705 2437 1 17 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.096 -1.236 18705 2438 1 17 . 1 1 30 30 CYS N N 30 127.797 127.797 122.823 4.974 18705 2439 1 17 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.446 -0.004 18705 2440 1 17 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.783 -1.325 18705 2441 1 17 . 1 1 30 30 CYS CB C 30 43.152 43.152 29.037 14.115 18705 2442 1 17 . 1 1 30 30 CYS H H 30 9.020 9.020 8.284 0.736 18705 2443 1 17 . 1 1 31 31 CYS N N 31 120.526 120.526 123.697 -3.171 18705 2444 1 17 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.328 0.439 18705 2445 1 17 . 1 1 31 31 CYS C C 31 173.200 173.200 174.520 -1.320 18705 2446 1 17 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.905 -2.221 18705 2447 1 17 . 1 1 31 31 CYS CB C 31 49.066 49.066 29.803 19.263 18705 2448 1 17 . 1 1 31 31 CYS H H 31 9.049 9.049 9.003 0.046 18705 2449 1 18 . 1 1 2 2 THR N N 2 118.310 118.310 116.389 1.921 18705 2450 1 18 . 1 1 2 2 THR HA H 2 4.398 4.398 4.711 -0.313 18705 2451 1 18 . 1 1 2 2 THR CA C 2 62.489 62.489 61.544 0.945 18705 2452 1 18 . 1 1 2 2 THR CB C 2 70.031 70.031 69.414 0.617 18705 2453 1 18 . 1 1 2 2 THR H H 2 8.979 8.979 8.173 0.806 18705 2454 1 18 . 1 1 3 3 CYS N N 3 123.108 123.108 128.233 -5.125 18705 2455 1 18 . 1 1 3 3 CYS HA H 3 5.653 5.653 4.906 0.747 18705 2456 1 18 . 1 1 3 3 CYS C C 3 172.018 172.018 174.271 -2.253 18705 2457 1 18 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.523 -3.454 18705 2458 1 18 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.384 22.334 18705 2459 1 18 . 1 1 3 3 CYS H H 3 8.541 8.541 9.149 -0.608 18705 2460 1 18 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.839 -0.230 18705 2461 1 18 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.493 0.125 18705 2462 1 18 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.162 3.020 18705 2463 1 18 . 1 1 5 5 CYS N N 5 119.803 119.803 121.622 -1.819 18705 2464 1 18 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.659 -1.047 18705 2465 1 18 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.835 -1.282 18705 2466 1 18 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.996 14.212 18705 2467 1 18 . 1 1 5 5 CYS H H 5 9.195 9.195 8.788 0.407 18705 2468 1 18 . 1 1 6 6 ARG N N 6 123.484 123.484 122.167 1.317 18705 2469 1 18 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.999 0.334 18705 2470 1 18 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.462 0.583 18705 2471 1 18 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.290 8.635 18705 2472 1 18 . 1 1 6 6 ARG H H 6 8.999 8.999 9.260 -0.261 18705 2473 1 18 . 1 1 7 7 THR N N 7 126.371 126.371 117.572 8.799 18705 2474 1 18 . 1 1 7 7 THR HA H 7 4.917 4.917 3.447 1.470 18705 2475 1 18 . 1 1 7 7 THR CA C 7 62.395 62.395 61.026 1.369 18705 2476 1 18 . 1 1 7 7 THR CB C 7 71.434 71.434 66.937 4.497 18705 2477 1 18 . 1 1 7 7 THR H H 7 9.531 9.531 8.540 0.991 18705 2478 1 18 . 1 1 8 8 GLY N N 8 112.530 112.530 110.745 1.785 18705 2479 1 18 . 1 1 8 8 GLY C C 8 172.685 172.685 171.731 0.954 18705 2480 1 18 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.445 0.364 18705 2481 1 18 . 1 1 8 8 GLY H H 8 8.004 8.004 7.376 0.628 18705 2482 1 18 . 1 1 9 9 ARG N N 9 119.486 119.486 118.750 0.736 18705 2483 1 18 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.247 0.036 18705 2484 1 18 . 1 1 9 9 ARG C C 9 176.627 176.627 175.351 1.276 18705 2485 1 18 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.706 -0.958 18705 2486 1 18 . 1 1 9 9 ARG CB C 9 31.418 31.418 30.972 0.446 18705 2487 1 18 . 1 1 9 9 ARG H H 9 8.183 8.183 8.266 -0.083 18705 2488 1 18 . 1 1 10 10 CYS N N 10 116.919 116.919 119.935 -3.016 18705 2489 1 18 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.596 0.278 18705 2490 1 18 . 1 1 10 10 CYS C C 10 174.788 174.788 173.866 0.922 18705 2491 1 18 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.165 -5.428 18705 2492 1 18 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.237 6.106 18705 2493 1 18 . 1 1 10 10 CYS H H 10 8.595 8.595 8.299 0.296 18705 2494 1 18 . 1 1 11 11 ALA N N 11 124.805 124.805 122.134 2.671 18705 2495 1 18 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.644 -0.211 18705 2496 1 18 . 1 1 11 11 ALA C C 11 177.552 177.552 178.696 -1.144 18705 2497 1 18 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.550 -0.169 18705 2498 1 18 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.952 -0.552 18705 2499 1 18 . 1 1 11 11 ALA H H 11 8.590 8.590 8.885 -0.295 18705 2500 1 18 . 1 1 12 12 THR N N 12 114.885 114.885 115.929 -1.044 18705 2501 1 18 . 1 1 12 12 THR HA H 12 4.002 4.002 3.983 0.019 18705 2502 1 18 . 1 1 12 12 THR C C 12 174.815 174.815 175.777 -0.962 18705 2503 1 18 . 1 1 12 12 THR CA C 12 65.118 65.118 65.585 -0.467 18705 2504 1 18 . 1 1 12 12 THR CB C 12 68.792 68.792 68.801 -0.009 18705 2505 1 18 . 1 1 12 12 THR H H 12 8.238 8.238 8.467 -0.229 18705 2506 1 18 . 1 1 13 13 ARG N N 13 116.842 116.842 117.762 -0.920 18705 2507 1 18 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.183 -0.035 18705 2508 1 18 . 1 1 13 13 ARG C C 13 175.566 175.566 176.970 -1.404 18705 2509 1 18 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.172 0.420 18705 2510 1 18 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.736 -1.250 18705 2511 1 18 . 1 1 13 13 ARG H H 13 8.518 8.518 8.432 0.086 18705 2512 1 18 . 1 1 14 14 GLU N N 14 117.264 117.264 118.083 -0.819 18705 2513 1 18 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.442 0.244 18705 2514 1 18 . 1 1 14 14 GLU C C 14 176.183 176.183 176.447 -0.264 18705 2515 1 18 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.561 -1.916 18705 2516 1 18 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.496 1.577 18705 2517 1 18 . 1 1 14 14 GLU H H 14 7.855 7.855 7.501 0.354 18705 2518 1 18 . 1 1 15 15 SER N N 15 114.972 114.972 115.062 -0.090 18705 2519 1 18 . 1 1 15 15 SER HA H 15 4.807 4.807 4.674 0.133 18705 2520 1 18 . 1 1 15 15 SER C C 15 174.427 174.427 173.610 0.817 18705 2521 1 18 . 1 1 15 15 SER CA C 15 56.875 56.875 56.357 0.518 18705 2522 1 18 . 1 1 15 15 SER CB C 15 65.036 65.036 65.229 -0.193 18705 2523 1 18 . 1 1 15 15 SER H H 15 9.273 9.273 8.853 0.420 18705 2524 1 18 . 1 1 16 16 LEU N N 16 129.724 129.724 128.188 1.536 18705 2525 1 18 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.957 -0.166 18705 2526 1 18 . 1 1 16 16 LEU C C 16 177.525 177.525 177.663 -0.138 18705 2527 1 18 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.585 1.799 18705 2528 1 18 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.625 -1.188 18705 2529 1 18 . 1 1 16 16 LEU H H 16 9.076 9.076 8.891 0.185 18705 2530 1 18 . 1 1 17 17 SER N N 17 123.451 123.451 121.768 1.683 18705 2531 1 18 . 1 1 17 17 SER HA H 17 4.877 4.877 4.617 0.260 18705 2532 1 18 . 1 1 17 17 SER CA C 17 58.092 58.092 58.264 -0.173 18705 2533 1 18 . 1 1 17 17 SER CB C 17 65.350 65.350 64.495 0.855 18705 2534 1 18 . 1 1 17 17 SER H H 17 9.387 9.387 9.159 0.228 18705 2535 1 18 . 1 1 18 18 GLY N N 18 107.233 107.233 108.889 -1.656 18705 2536 1 18 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.175 -0.240 18705 2537 1 18 . 1 1 18 18 GLY H H 18 7.608 7.608 7.371 0.237 18705 2538 1 18 . 1 1 19 19 VAL N N 19 118.833 118.833 119.896 -1.063 18705 2539 1 18 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.932 0.133 18705 2540 1 18 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.128 0.186 18705 2541 1 18 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.412 2.877 18705 2542 1 18 . 1 1 19 19 VAL H H 19 8.692 8.692 8.155 0.537 18705 2543 1 18 . 1 1 20 20 CYS N N 20 121.714 121.714 128.547 -6.833 18705 2544 1 18 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.533 0.359 18705 2545 1 18 . 1 1 20 20 CYS C C 20 176.328 176.328 173.741 2.587 18705 2546 1 18 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.283 -4.807 18705 2547 1 18 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.599 14.579 18705 2548 1 18 . 1 1 20 20 CYS H H 20 8.133 8.133 9.202 -1.069 18705 2549 1 18 . 1 1 22 22 ILE N N 22 124.351 124.351 125.078 -0.727 18705 2550 1 18 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.406 -0.065 18705 2551 1 18 . 1 1 22 22 ILE C C 22 176.380 176.380 175.925 0.455 18705 2552 1 18 . 1 1 22 22 ILE CA C 22 61.260 61.260 59.174 2.086 18705 2553 1 18 . 1 1 22 22 ILE CB C 22 40.877 40.877 39.411 1.466 18705 2554 1 18 . 1 1 22 22 ILE H H 22 8.865 8.865 9.212 -0.347 18705 2555 1 18 . 1 1 23 23 SER N N 23 124.886 124.886 121.081 3.805 18705 2556 1 18 . 1 1 23 23 SER HA H 23 4.108 4.108 4.045 0.063 18705 2557 1 18 . 1 1 23 23 SER CA C 23 58.444 58.444 58.944 -0.500 18705 2558 1 18 . 1 1 23 23 SER CB C 23 62.226 62.226 62.215 0.011 18705 2559 1 18 . 1 1 23 23 SER H H 23 9.633 9.633 9.204 0.429 18705 2560 1 18 . 1 1 24 24 GLY N N 24 104.151 104.151 105.489 -1.338 18705 2561 1 18 . 1 1 24 24 GLY C C 24 173.429 173.429 174.199 -0.770 18705 2562 1 18 . 1 1 24 24 GLY CA C 24 45.233 45.233 45.055 0.178 18705 2563 1 18 . 1 1 24 24 GLY H H 24 8.635 8.635 8.363 0.272 18705 2564 1 18 . 1 1 25 25 ARG N N 25 121.072 121.072 121.802 -0.730 18705 2565 1 18 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.589 -0.009 18705 2566 1 18 . 1 1 25 25 ARG C C 25 174.701 174.701 175.521 -0.820 18705 2567 1 18 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.825 -0.557 18705 2568 1 18 . 1 1 25 25 ARG CB C 25 32.556 32.556 31.837 0.719 18705 2569 1 18 . 1 1 25 25 ARG H H 25 7.969 7.969 7.974 -0.005 18705 2570 1 18 . 1 1 26 26 LEU N N 26 124.251 124.251 126.804 -2.553 18705 2571 1 18 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.494 0.305 18705 2572 1 18 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.560 0.377 18705 2573 1 18 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.375 0.472 18705 2574 1 18 . 1 1 26 26 LEU H H 26 8.161 8.161 8.605 -0.444 18705 2575 1 18 . 1 1 27 27 TYR N N 27 122.809 122.809 123.778 -0.969 18705 2576 1 18 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.878 -0.092 18705 2577 1 18 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.184 -3.086 18705 2578 1 18 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.420 -1.466 18705 2579 1 18 . 1 1 27 27 TYR H H 27 9.173 9.173 8.299 0.874 18705 2580 1 18 . 1 1 29 29 LEU HA H 29 4.612 4.612 4.997 -0.385 18705 2581 1 18 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.055 -1.195 18705 2582 1 18 . 1 1 30 30 CYS N N 30 127.797 127.797 122.526 5.271 18705 2583 1 18 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.473 -0.031 18705 2584 1 18 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.761 -1.303 18705 2585 1 18 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.815 14.337 18705 2586 1 18 . 1 1 30 30 CYS H H 30 9.020 9.020 8.222 0.798 18705 2587 1 18 . 1 1 31 31 CYS N N 31 120.526 120.526 123.207 -2.681 18705 2588 1 18 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.455 0.312 18705 2589 1 18 . 1 1 31 31 CYS C C 31 173.200 173.200 174.611 -1.411 18705 2590 1 18 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.737 -2.053 18705 2591 1 18 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.289 18.777 18705 2592 1 18 . 1 1 31 31 CYS H H 31 9.049 9.049 9.101 -0.052 18705 2593 1 19 . 1 1 2 2 THR N N 2 118.310 118.310 116.371 1.939 18705 2594 1 19 . 1 1 2 2 THR HA H 2 4.398 4.398 4.699 -0.301 18705 2595 1 19 . 1 1 2 2 THR CA C 2 62.489 62.489 61.857 0.632 18705 2596 1 19 . 1 1 2 2 THR CB C 2 70.031 70.031 69.838 0.193 18705 2597 1 19 . 1 1 2 2 THR H H 2 8.979 8.979 8.642 0.337 18705 2598 1 19 . 1 1 3 3 CYS N N 3 123.108 123.108 128.053 -4.945 18705 2599 1 19 . 1 1 3 3 CYS HA H 3 5.653 5.653 4.915 0.738 18705 2600 1 19 . 1 1 3 3 CYS C C 3 172.018 172.018 174.259 -2.241 18705 2601 1 19 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.589 -3.520 18705 2602 1 19 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.183 22.535 18705 2603 1 19 . 1 1 3 3 CYS H H 3 8.541 8.541 9.160 -0.619 18705 2604 1 19 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.826 -0.217 18705 2605 1 19 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.461 0.157 18705 2606 1 19 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.038 3.144 18705 2607 1 19 . 1 1 5 5 CYS N N 5 119.803 119.803 120.938 -1.135 18705 2608 1 19 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.670 -1.058 18705 2609 1 19 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.841 -1.288 18705 2610 1 19 . 1 1 5 5 CYS CB C 5 42.208 42.208 28.087 14.121 18705 2611 1 19 . 1 1 5 5 CYS H H 5 9.195 9.195 8.742 0.453 18705 2612 1 19 . 1 1 6 6 ARG N N 6 123.484 123.484 121.443 2.041 18705 2613 1 19 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.965 0.368 18705 2614 1 19 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.480 0.565 18705 2615 1 19 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.207 8.718 18705 2616 1 19 . 1 1 6 6 ARG H H 6 8.999 8.999 9.147 -0.148 18705 2617 1 19 . 1 1 7 7 THR N N 7 126.371 126.371 117.379 8.992 18705 2618 1 19 . 1 1 7 7 THR HA H 7 4.917 4.917 3.547 1.370 18705 2619 1 19 . 1 1 7 7 THR CA C 7 62.395 62.395 61.895 0.500 18705 2620 1 19 . 1 1 7 7 THR CB C 7 71.434 71.434 67.680 3.754 18705 2621 1 19 . 1 1 7 7 THR H H 7 9.531 9.531 8.690 0.841 18705 2622 1 19 . 1 1 8 8 GLY N N 8 112.530 112.530 112.366 0.164 18705 2623 1 19 . 1 1 8 8 GLY C C 8 172.685 172.685 171.944 0.741 18705 2624 1 19 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.252 0.557 18705 2625 1 19 . 1 1 8 8 GLY H H 8 8.004 8.004 7.459 0.545 18705 2626 1 19 . 1 1 9 9 ARG N N 9 119.486 119.486 119.321 0.165 18705 2627 1 19 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.235 0.048 18705 2628 1 19 . 1 1 9 9 ARG C C 9 176.627 176.627 175.181 1.446 18705 2629 1 19 . 1 1 9 9 ARG CA C 9 55.748 55.748 57.033 -1.285 18705 2630 1 19 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.361 0.057 18705 2631 1 19 . 1 1 9 9 ARG H H 9 8.183 8.183 8.352 -0.169 18705 2632 1 19 . 1 1 10 10 CYS N N 10 116.919 116.919 118.615 -1.696 18705 2633 1 19 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.584 0.290 18705 2634 1 19 . 1 1 10 10 CYS C C 10 174.788 174.788 174.367 0.421 18705 2635 1 19 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.885 -5.148 18705 2636 1 19 . 1 1 10 10 CYS CB C 10 35.343 35.343 29.084 6.259 18705 2637 1 19 . 1 1 10 10 CYS H H 10 8.595 8.595 8.311 0.284 18705 2638 1 19 . 1 1 11 11 ALA N N 11 124.805 124.805 122.631 2.174 18705 2639 1 19 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.575 -0.142 18705 2640 1 19 . 1 1 11 11 ALA C C 11 177.552 177.552 178.704 -1.152 18705 2641 1 19 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.664 -0.283 18705 2642 1 19 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.631 -0.231 18705 2643 1 19 . 1 1 11 11 ALA H H 11 8.590 8.590 8.505 0.085 18705 2644 1 19 . 1 1 12 12 THR N N 12 114.885 114.885 115.327 -0.442 18705 2645 1 19 . 1 1 12 12 THR HA H 12 4.002 4.002 4.059 -0.057 18705 2646 1 19 . 1 1 12 12 THR C C 12 174.815 174.815 175.624 -0.809 18705 2647 1 19 . 1 1 12 12 THR CA C 12 65.118 65.118 65.553 -0.436 18705 2648 1 19 . 1 1 12 12 THR CB C 12 68.792 68.792 68.744 0.048 18705 2649 1 19 . 1 1 12 12 THR H H 12 8.238 8.238 8.474 -0.236 18705 2650 1 19 . 1 1 13 13 ARG N N 13 116.842 116.842 117.981 -1.139 18705 2651 1 19 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.196 -0.048 18705 2652 1 19 . 1 1 13 13 ARG C C 13 175.566 175.566 176.882 -1.316 18705 2653 1 19 . 1 1 13 13 ARG CA C 13 57.592 57.592 56.974 0.618 18705 2654 1 19 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.877 -1.391 18705 2655 1 19 . 1 1 13 13 ARG H H 13 8.518 8.518 8.356 0.162 18705 2656 1 19 . 1 1 14 14 GLU N N 14 117.264 117.264 118.184 -0.920 18705 2657 1 19 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.567 0.119 18705 2658 1 19 . 1 1 14 14 GLU C C 14 176.183 176.183 176.381 -0.198 18705 2659 1 19 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.253 -1.608 18705 2660 1 19 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.553 1.520 18705 2661 1 19 . 1 1 14 14 GLU H H 14 7.855 7.855 7.434 0.421 18705 2662 1 19 . 1 1 15 15 SER N N 15 114.972 114.972 114.814 0.158 18705 2663 1 19 . 1 1 15 15 SER HA H 15 4.807 4.807 4.698 0.109 18705 2664 1 19 . 1 1 15 15 SER C C 15 174.427 174.427 173.768 0.659 18705 2665 1 19 . 1 1 15 15 SER CA C 15 56.875 56.875 56.726 0.149 18705 2666 1 19 . 1 1 15 15 SER CB C 15 65.036 65.036 65.207 -0.170 18705 2667 1 19 . 1 1 15 15 SER H H 15 9.273 9.273 8.912 0.361 18705 2668 1 19 . 1 1 16 16 LEU N N 16 129.724 129.724 128.485 1.239 18705 2669 1 19 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.733 0.058 18705 2670 1 19 . 1 1 16 16 LEU C C 16 177.525 177.525 177.587 -0.062 18705 2671 1 19 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.038 1.345 18705 2672 1 19 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.575 -1.138 18705 2673 1 19 . 1 1 16 16 LEU H H 16 9.076 9.076 8.933 0.143 18705 2674 1 19 . 1 1 17 17 SER N N 17 123.451 123.451 120.755 2.696 18705 2675 1 19 . 1 1 17 17 SER HA H 17 4.877 4.877 4.638 0.239 18705 2676 1 19 . 1 1 17 17 SER CA C 17 58.092 58.092 57.978 0.114 18705 2677 1 19 . 1 1 17 17 SER CB C 17 65.350 65.350 64.871 0.479 18705 2678 1 19 . 1 1 17 17 SER H H 17 9.387 9.387 9.229 0.158 18705 2679 1 19 . 1 1 18 18 GLY N N 18 107.233 107.233 109.845 -2.612 18705 2680 1 19 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.252 -0.317 18705 2681 1 19 . 1 1 18 18 GLY H H 18 7.608 7.608 7.409 0.199 18705 2682 1 19 . 1 1 19 19 VAL N N 19 118.833 118.833 120.750 -1.917 18705 2683 1 19 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.880 0.185 18705 2684 1 19 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.556 -0.242 18705 2685 1 19 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.021 3.268 18705 2686 1 19 . 1 1 19 19 VAL H H 19 8.692 8.692 8.292 0.400 18705 2687 1 19 . 1 1 20 20 CYS N N 20 121.714 121.714 127.210 -5.496 18705 2688 1 19 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.464 0.428 18705 2689 1 19 . 1 1 20 20 CYS C C 20 176.328 176.328 173.747 2.581 18705 2690 1 19 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.442 -4.966 18705 2691 1 19 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.676 14.502 18705 2692 1 19 . 1 1 20 20 CYS H H 20 8.133 8.133 8.983 -0.850 18705 2693 1 19 . 1 1 22 22 ILE N N 22 124.351 124.351 124.769 -0.418 18705 2694 1 19 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.352 -0.011 18705 2695 1 19 . 1 1 22 22 ILE C C 22 176.380 176.380 175.633 0.747 18705 2696 1 19 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.337 0.923 18705 2697 1 19 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.657 0.219 18705 2698 1 19 . 1 1 22 22 ILE H H 22 8.865 8.865 9.135 -0.270 18705 2699 1 19 . 1 1 23 23 SER N N 23 124.886 124.886 121.738 3.148 18705 2700 1 19 . 1 1 23 23 SER HA H 23 4.108 4.108 4.063 0.045 18705 2701 1 19 . 1 1 23 23 SER CA C 23 58.444 58.444 58.964 -0.520 18705 2702 1 19 . 1 1 23 23 SER CB C 23 62.226 62.226 62.054 0.172 18705 2703 1 19 . 1 1 23 23 SER H H 23 9.633 9.633 9.120 0.513 18705 2704 1 19 . 1 1 24 24 GLY N N 24 104.151 104.151 106.605 -2.454 18705 2705 1 19 . 1 1 24 24 GLY C C 24 173.429 173.429 174.009 -0.580 18705 2706 1 19 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.782 0.451 18705 2707 1 19 . 1 1 24 24 GLY H H 24 8.635 8.635 8.112 0.523 18705 2708 1 19 . 1 1 25 25 ARG N N 25 121.072 121.072 122.212 -1.140 18705 2709 1 19 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.562 0.018 18705 2710 1 19 . 1 1 25 25 ARG C C 25 174.701 174.701 175.268 -0.567 18705 2711 1 19 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.584 -1.316 18705 2712 1 19 . 1 1 25 25 ARG CB C 25 32.556 32.556 31.851 0.705 18705 2713 1 19 . 1 1 25 25 ARG H H 25 7.969 7.969 7.992 -0.023 18705 2714 1 19 . 1 1 26 26 LEU N N 26 124.251 124.251 126.646 -2.395 18705 2715 1 19 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.783 0.016 18705 2716 1 19 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.427 0.510 18705 2717 1 19 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.207 0.640 18705 2718 1 19 . 1 1 26 26 LEU H H 26 8.161 8.161 8.584 -0.423 18705 2719 1 19 . 1 1 27 27 TYR N N 27 122.809 122.809 123.315 -0.506 18705 2720 1 19 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.643 0.143 18705 2721 1 19 . 1 1 27 27 TYR CA C 27 54.099 54.099 57.078 -2.979 18705 2722 1 19 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.357 -1.403 18705 2723 1 19 . 1 1 27 27 TYR H H 27 9.173 9.173 9.347 -0.174 18705 2724 1 19 . 1 1 29 29 LEU HA H 29 4.612 4.612 4.989 -0.377 18705 2725 1 19 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.772 -0.912 18705 2726 1 19 . 1 1 30 30 CYS N N 30 127.797 127.797 122.152 5.645 18705 2727 1 19 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.437 0.005 18705 2728 1 19 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.718 -1.260 18705 2729 1 19 . 1 1 30 30 CYS CB C 30 43.152 43.152 29.038 14.114 18705 2730 1 19 . 1 1 30 30 CYS H H 30 9.020 9.020 8.159 0.861 18705 2731 1 19 . 1 1 31 31 CYS N N 31 120.526 120.526 122.556 -2.030 18705 2732 1 19 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.367 0.400 18705 2733 1 19 . 1 1 31 31 CYS C C 31 173.200 173.200 174.258 -1.058 18705 2734 1 19 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.781 -2.097 18705 2735 1 19 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.625 18.441 18705 2736 1 19 . 1 1 31 31 CYS H H 31 9.049 9.049 8.922 0.127 18705 2737 1 20 . 1 1 2 2 THR N N 2 118.310 118.310 116.445 1.865 18705 2738 1 20 . 1 1 2 2 THR HA H 2 4.398 4.398 4.636 -0.238 18705 2739 1 20 . 1 1 2 2 THR CA C 2 62.489 62.489 62.104 0.385 18705 2740 1 20 . 1 1 2 2 THR CB C 2 70.031 70.031 69.331 0.700 18705 2741 1 20 . 1 1 2 2 THR H H 2 8.979 8.979 8.158 0.821 18705 2742 1 20 . 1 1 3 3 CYS N N 3 123.108 123.108 128.561 -5.453 18705 2743 1 20 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.137 0.516 18705 2744 1 20 . 1 1 3 3 CYS C C 3 172.018 172.018 174.637 -2.619 18705 2745 1 20 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.306 -3.237 18705 2746 1 20 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.644 22.074 18705 2747 1 20 . 1 1 3 3 CYS H H 3 8.541 8.541 9.151 -0.610 18705 2748 1 20 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.823 -0.214 18705 2749 1 20 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.534 0.084 18705 2750 1 20 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.102 3.080 18705 2751 1 20 . 1 1 5 5 CYS N N 5 119.803 119.803 121.420 -1.617 18705 2752 1 20 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.575 -0.963 18705 2753 1 20 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.907 -1.354 18705 2754 1 20 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.654 14.554 18705 2755 1 20 . 1 1 5 5 CYS H H 5 9.195 9.195 8.750 0.445 18705 2756 1 20 . 1 1 6 6 ARG N N 6 123.484 123.484 122.721 0.763 18705 2757 1 20 . 1 1 6 6 ARG HA H 6 5.333 5.333 5.009 0.324 18705 2758 1 20 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.570 0.475 18705 2759 1 20 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.416 8.509 18705 2760 1 20 . 1 1 6 6 ARG H H 6 8.999 8.999 9.240 -0.241 18705 2761 1 20 . 1 1 7 7 THR N N 7 126.371 126.371 117.725 8.646 18705 2762 1 20 . 1 1 7 7 THR HA H 7 4.917 4.917 3.751 1.166 18705 2763 1 20 . 1 1 7 7 THR CA C 7 62.395 62.395 62.068 0.327 18705 2764 1 20 . 1 1 7 7 THR CB C 7 71.434 71.434 66.985 4.449 18705 2765 1 20 . 1 1 7 7 THR H H 7 9.531 9.531 8.676 0.855 18705 2766 1 20 . 1 1 8 8 GLY N N 8 112.530 112.530 112.527 0.003 18705 2767 1 20 . 1 1 8 8 GLY C C 8 172.685 172.685 172.302 0.383 18705 2768 1 20 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.780 0.029 18705 2769 1 20 . 1 1 8 8 GLY H H 8 8.004 8.004 7.652 0.352 18705 2770 1 20 . 1 1 9 9 ARG N N 9 119.486 119.486 119.236 0.250 18705 2771 1 20 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.362 -0.079 18705 2772 1 20 . 1 1 9 9 ARG C C 9 176.627 176.627 175.167 1.460 18705 2773 1 20 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.538 -0.790 18705 2774 1 20 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.187 0.231 18705 2775 1 20 . 1 1 9 9 ARG H H 9 8.183 8.183 8.212 -0.029 18705 2776 1 20 . 1 1 10 10 CYS N N 10 116.919 116.919 118.206 -1.287 18705 2777 1 20 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.565 0.309 18705 2778 1 20 . 1 1 10 10 CYS C C 10 174.788 174.788 174.015 0.773 18705 2779 1 20 . 1 1 10 10 CYS CA C 10 52.737 52.737 57.955 -5.218 18705 2780 1 20 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.965 6.378 18705 2781 1 20 . 1 1 10 10 CYS H H 10 8.595 8.595 8.246 0.349 18705 2782 1 20 . 1 1 11 11 ALA N N 11 124.805 124.805 122.359 2.446 18705 2783 1 20 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.616 -0.183 18705 2784 1 20 . 1 1 11 11 ALA C C 11 177.552 177.552 178.870 -1.318 18705 2785 1 20 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.581 -0.200 18705 2786 1 20 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.636 -0.236 18705 2787 1 20 . 1 1 11 11 ALA H H 11 8.590 8.590 8.659 -0.069 18705 2788 1 20 . 1 1 12 12 THR N N 12 114.885 114.885 115.576 -0.691 18705 2789 1 20 . 1 1 12 12 THR HA H 12 4.002 4.002 4.058 -0.056 18705 2790 1 20 . 1 1 12 12 THR C C 12 174.815 174.815 175.622 -0.807 18705 2791 1 20 . 1 1 12 12 THR CA C 12 65.118 65.118 65.395 -0.277 18705 2792 1 20 . 1 1 12 12 THR CB C 12 68.792 68.792 68.700 0.092 18705 2793 1 20 . 1 1 12 12 THR H H 12 8.238 8.238 8.483 -0.245 18705 2794 1 20 . 1 1 13 13 ARG N N 13 116.842 116.842 118.228 -1.386 18705 2795 1 20 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.201 -0.053 18705 2796 1 20 . 1 1 13 13 ARG C C 13 175.566 175.566 177.013 -1.447 18705 2797 1 20 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.081 0.511 18705 2798 1 20 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.939 -1.453 18705 2799 1 20 . 1 1 13 13 ARG H H 13 8.518 8.518 8.390 0.128 18705 2800 1 20 . 1 1 14 14 GLU N N 14 117.264 117.264 118.165 -0.901 18705 2801 1 20 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.458 0.228 18705 2802 1 20 . 1 1 14 14 GLU C C 14 176.183 176.183 176.236 -0.053 18705 2803 1 20 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.314 -1.669 18705 2804 1 20 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.564 1.509 18705 2805 1 20 . 1 1 14 14 GLU H H 14 7.855 7.855 7.474 0.381 18705 2806 1 20 . 1 1 15 15 SER N N 15 114.972 114.972 114.247 0.725 18705 2807 1 20 . 1 1 15 15 SER HA H 15 4.807 4.807 4.678 0.129 18705 2808 1 20 . 1 1 15 15 SER C C 15 174.427 174.427 173.751 0.676 18705 2809 1 20 . 1 1 15 15 SER CA C 15 56.875 56.875 56.919 -0.044 18705 2810 1 20 . 1 1 15 15 SER CB C 15 65.036 65.036 65.524 -0.488 18705 2811 1 20 . 1 1 15 15 SER H H 15 9.273 9.273 8.859 0.414 18705 2812 1 20 . 1 1 16 16 LEU N N 16 129.724 129.724 127.417 2.307 18705 2813 1 20 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.890 -0.099 18705 2814 1 20 . 1 1 16 16 LEU C C 16 177.525 177.525 177.694 -0.169 18705 2815 1 20 . 1 1 16 16 LEU CA C 16 56.384 56.384 55.025 1.359 18705 2816 1 20 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.384 -0.947 18705 2817 1 20 . 1 1 16 16 LEU H H 16 9.076 9.076 8.881 0.195 18705 2818 1 20 . 1 1 17 17 SER N N 17 123.451 123.451 120.569 2.882 18705 2819 1 20 . 1 1 17 17 SER HA H 17 4.877 4.877 4.623 0.254 18705 2820 1 20 . 1 1 17 17 SER CA C 17 58.092 58.092 58.180 -0.088 18705 2821 1 20 . 1 1 17 17 SER CB C 17 65.350 65.350 64.606 0.744 18705 2822 1 20 . 1 1 17 17 SER H H 17 9.387 9.387 9.099 0.288 18705 2823 1 20 . 1 1 18 18 GLY N N 18 107.233 107.233 109.375 -2.142 18705 2824 1 20 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.255 -0.320 18705 2825 1 20 . 1 1 18 18 GLY H H 18 7.608 7.608 7.335 0.273 18705 2826 1 20 . 1 1 19 19 VAL N N 19 118.833 118.833 120.849 -2.016 18705 2827 1 20 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.813 0.252 18705 2828 1 20 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.823 -0.509 18705 2829 1 20 . 1 1 19 19 VAL CB C 19 35.289 35.289 31.974 3.315 18705 2830 1 20 . 1 1 19 19 VAL H H 19 8.692 8.692 8.394 0.298 18705 2831 1 20 . 1 1 20 20 CYS N N 20 121.714 121.714 127.297 -5.583 18705 2832 1 20 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.392 0.500 18705 2833 1 20 . 1 1 20 20 CYS C C 20 176.328 176.328 173.668 2.660 18705 2834 1 20 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.983 -5.506 18705 2835 1 20 . 1 1 20 20 CYS CB C 20 43.178 43.178 28.838 14.340 18705 2836 1 20 . 1 1 20 20 CYS H H 20 8.133 8.133 8.939 -0.806 18705 2837 1 20 . 1 1 22 22 ILE N N 22 124.351 124.351 123.584 0.767 18705 2838 1 20 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.394 -0.053 18705 2839 1 20 . 1 1 22 22 ILE C C 22 176.380 176.380 176.121 0.259 18705 2840 1 20 . 1 1 22 22 ILE CA C 22 61.260 61.260 60.226 1.034 18705 2841 1 20 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.618 0.259 18705 2842 1 20 . 1 1 22 22 ILE H H 22 8.865 8.865 9.025 -0.160 18705 2843 1 20 . 1 1 23 23 SER N N 23 124.886 124.886 123.037 1.849 18705 2844 1 20 . 1 1 23 23 SER HA H 23 4.108 4.108 4.073 0.035 18705 2845 1 20 . 1 1 23 23 SER CA C 23 58.444 58.444 58.867 -0.423 18705 2846 1 20 . 1 1 23 23 SER CB C 23 62.226 62.226 62.527 -0.301 18705 2847 1 20 . 1 1 23 23 SER H H 23 9.633 9.633 9.235 0.398 18705 2848 1 20 . 1 1 24 24 GLY N N 24 104.151 104.151 106.488 -2.337 18705 2849 1 20 . 1 1 24 24 GLY C C 24 173.429 173.429 173.903 -0.474 18705 2850 1 20 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.960 0.273 18705 2851 1 20 . 1 1 24 24 GLY H H 24 8.635 8.635 8.381 0.254 18705 2852 1 20 . 1 1 25 25 ARG N N 25 121.072 121.072 120.676 0.396 18705 2853 1 20 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.744 -0.164 18705 2854 1 20 . 1 1 25 25 ARG C C 25 174.701 174.701 175.040 -0.339 18705 2855 1 20 . 1 1 25 25 ARG CA C 25 54.268 54.268 54.714 -0.446 18705 2856 1 20 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.630 -0.074 18705 2857 1 20 . 1 1 25 25 ARG H H 25 7.969 7.969 8.122 -0.153 18705 2858 1 20 . 1 1 26 26 LEU N N 26 124.251 124.251 125.274 -1.023 18705 2859 1 20 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.734 0.065 18705 2860 1 20 . 1 1 26 26 LEU CA C 26 55.937 55.937 54.761 1.176 18705 2861 1 20 . 1 1 26 26 LEU CB C 26 42.847 42.847 41.595 1.252 18705 2862 1 20 . 1 1 26 26 LEU H H 26 8.161 8.161 8.545 -0.384 18705 2863 1 20 . 1 1 27 27 TYR N N 27 122.809 122.809 121.921 0.888 18705 2864 1 20 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.674 0.112 18705 2865 1 20 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.899 -2.800 18705 2866 1 20 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.764 -1.810 18705 2867 1 20 . 1 1 27 27 TYR H H 27 9.173 9.173 9.227 -0.054 18705 2868 1 20 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.130 -0.518 18705 2869 1 20 . 1 1 29 29 LEU CB C 29 42.860 42.860 44.125 -1.265 18705 2870 1 20 . 1 1 30 30 CYS N N 30 127.797 127.797 122.467 5.330 18705 2871 1 20 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.426 0.016 18705 2872 1 20 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.733 -1.275 18705 2873 1 20 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.930 14.222 18705 2874 1 20 . 1 1 30 30 CYS H H 30 9.020 9.020 8.159 0.861 18705 2875 1 20 . 1 1 31 31 CYS N N 31 120.526 120.526 122.885 -2.359 18705 2876 1 20 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.431 0.337 18705 2877 1 20 . 1 1 31 31 CYS C C 31 173.200 173.200 174.483 -1.283 18705 2878 1 20 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.898 -2.214 18705 2879 1 20 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.327 18.739 18705 2880 1 20 . 1 1 31 31 CYS H H 31 9.049 9.049 9.032 0.017 18705 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 26 3.189 0.025 3.252 18705 2 1 1 "Average Difference" HA 31 0.394 -0.098 0.388 18705 3 1 1 "Average Difference" C 15 1.215 0.037 1.257 18705 4 1 1 "Average Difference" CA 27 1.819 0.671 1.723 18705 5 1 1 "Average Difference" CB 25 8.026 -4.193 6.985 18705 6 1 1 "Average Difference" HN 26 0.446 -0.146 0.430 18705 7 1 2 "Average Difference" N 26 3.147 0.217 3.202 18705 8 1 2 "Average Difference" HA 31 0.430 -0.131 0.417 18705 9 1 2 "Average Difference" C 15 1.216 0.158 1.248 18705 10 1 2 "Average Difference" CA 27 1.814 0.711 1.700 18705 11 1 2 "Average Difference" CB 25 8.145 -4.238 7.099 18705 12 1 2 "Average Difference" HN 26 0.470 -0.130 0.460 18705 13 1 3 "Average Difference" N 26 3.045 -0.072 3.105 18705 14 1 3 "Average Difference" HA 31 0.436 -0.143 0.418 18705 15 1 3 "Average Difference" C 15 1.240 0.158 1.273 18705 16 1 3 "Average Difference" CA 27 1.896 0.760 1.770 18705 17 1 3 "Average Difference" CB 25 8.046 -4.268 6.962 18705 18 1 3 "Average Difference" HN 26 0.496 -0.181 0.471 18705 19 1 4 "Average Difference" N 26 3.224 -0.069 3.287 18705 20 1 4 "Average Difference" HA 31 0.404 -0.119 0.393 18705 21 1 4 "Average Difference" C 15 1.221 0.084 1.261 18705 22 1 4 "Average Difference" CA 27 1.857 0.738 1.737 18705 23 1 4 "Average Difference" CB 25 8.070 -4.236 7.010 18705 24 1 4 "Average Difference" HN 26 0.448 -0.126 0.438 18705 25 1 5 "Average Difference" N 26 3.041 0.061 3.100 18705 26 1 5 "Average Difference" HA 31 0.398 -0.124 0.384 18705 27 1 5 "Average Difference" C 15 1.239 0.136 1.275 18705 28 1 5 "Average Difference" CA 27 1.992 0.692 1.904 18705 29 1 5 "Average Difference" CB 25 8.143 -4.345 7.029 18705 30 1 5 "Average Difference" HN 26 0.460 -0.133 0.449 18705 31 1 6 "Average Difference" N 26 3.076 0.040 3.137 18705 32 1 6 "Average Difference" HA 31 0.417 -0.121 0.406 18705 33 1 6 "Average Difference" C 15 1.299 0.069 1.343 18705 34 1 6 "Average Difference" CA 27 1.821 0.726 1.702 18705 35 1 6 "Average Difference" CB 25 8.124 -4.285 7.044 18705 36 1 6 "Average Difference" HN 26 0.486 -0.140 0.474 18705 37 1 7 "Average Difference" N 26 3.094 -0.042 3.155 18705 38 1 7 "Average Difference" HA 31 0.419 -0.126 0.407 18705 39 1 7 "Average Difference" C 15 1.191 0.121 1.227 18705 40 1 7 "Average Difference" CA 27 1.874 0.733 1.758 18705 41 1 7 "Average Difference" CB 25 8.131 -4.248 7.076 18705 42 1 7 "Average Difference" HN 26 0.448 -0.111 0.442 18705 43 1 8 "Average Difference" N 26 3.015 -0.282 3.061 18705 44 1 8 "Average Difference" HA 31 0.441 -0.124 0.431 18705 45 1 8 "Average Difference" C 15 1.152 0.186 1.177 18705 46 1 8 "Average Difference" CA 27 1.881 0.725 1.769 18705 47 1 8 "Average Difference" CB 25 7.994 -4.294 6.881 18705 48 1 8 "Average Difference" HN 26 0.446 -0.149 0.429 18705 49 1 9 "Average Difference" N 26 2.992 -0.192 3.045 18705 50 1 9 "Average Difference" HA 31 0.408 -0.143 0.389 18705 51 1 9 "Average Difference" C 15 1.158 0.166 1.186 18705 52 1 9 "Average Difference" CA 27 1.877 0.866 1.697 18705 53 1 9 "Average Difference" CB 25 8.097 -4.270 7.021 18705 54 1 9 "Average Difference" HN 26 0.443 -0.143 0.428 18705 55 1 10 "Average Difference" N 26 3.063 -0.078 3.123 18705 56 1 10 "Average Difference" HA 31 0.419 -0.146 0.399 18705 57 1 10 "Average Difference" C 15 1.254 0.133 1.291 18705 58 1 10 "Average Difference" CA 27 1.844 0.824 1.681 18705 59 1 10 "Average Difference" CB 25 8.062 -4.285 6.970 18705 60 1 10 "Average Difference" HN 26 0.457 -0.156 0.438 18705 61 1 11 "Average Difference" N 26 3.059 0.241 3.110 18705 62 1 11 "Average Difference" HA 31 0.425 -0.156 0.401 18705 63 1 11 "Average Difference" C 15 1.307 0.103 1.349 18705 64 1 11 "Average Difference" CA 27 1.767 0.768 1.622 18705 65 1 11 "Average Difference" CB 25 8.017 -4.362 6.865 18705 66 1 11 "Average Difference" HN 26 0.466 -0.141 0.453 18705 67 1 12 "Average Difference" N 26 3.020 0.114 3.078 18705 68 1 12 "Average Difference" HA 31 0.424 -0.122 0.413 18705 69 1 12 "Average Difference" C 15 1.286 0.053 1.330 18705 70 1 12 "Average Difference" CA 27 1.832 0.680 1.733 18705 71 1 12 "Average Difference" CB 25 8.109 -4.343 6.990 18705 72 1 12 "Average Difference" HN 26 0.463 -0.106 0.460 18705 73 1 13 "Average Difference" N 26 2.969 0.074 3.027 18705 74 1 13 "Average Difference" HA 31 0.427 -0.141 0.409 18705 75 1 13 "Average Difference" C 15 1.226 0.017 1.269 18705 76 1 13 "Average Difference" CA 27 1.780 0.788 1.626 18705 77 1 13 "Average Difference" CB 25 8.039 -4.192 7.001 18705 78 1 13 "Average Difference" HN 26 0.462 -0.121 0.454 18705 79 1 14 "Average Difference" N 26 3.127 0.004 3.189 18705 80 1 14 "Average Difference" HA 31 0.416 -0.140 0.398 18705 81 1 14 "Average Difference" C 15 1.219 0.155 1.251 18705 82 1 14 "Average Difference" CA 27 1.840 0.766 1.705 18705 83 1 14 "Average Difference" CB 25 8.115 -4.317 7.013 18705 84 1 14 "Average Difference" HN 26 0.470 -0.132 0.460 18705 85 1 15 "Average Difference" N 26 2.976 -0.019 3.035 18705 86 1 15 "Average Difference" HA 31 0.422 -0.118 0.412 18705 87 1 15 "Average Difference" C 15 1.168 0.152 1.199 18705 88 1 15 "Average Difference" CA 27 1.847 0.685 1.748 18705 89 1 15 "Average Difference" CB 25 8.045 -4.165 7.025 18705 90 1 15 "Average Difference" HN 26 0.472 -0.134 0.461 18705 91 1 16 "Average Difference" N 26 3.073 0.051 3.133 18705 92 1 16 "Average Difference" HA 31 0.401 -0.118 0.390 18705 93 1 16 "Average Difference" C 15 1.228 0.117 1.265 18705 94 1 16 "Average Difference" CA 27 1.775 0.727 1.650 18705 95 1 16 "Average Difference" CB 25 8.069 -4.273 6.986 18705 96 1 16 "Average Difference" HN 26 0.477 -0.157 0.459 18705 97 1 17 "Average Difference" N 26 3.083 0.100 3.143 18705 98 1 17 "Average Difference" HA 31 0.416 -0.132 0.401 18705 99 1 17 "Average Difference" C 15 1.264 0.188 1.294 18705 100 1 17 "Average Difference" CA 27 1.871 0.781 1.732 18705 101 1 17 "Average Difference" CB 25 8.096 -4.285 7.011 18705 102 1 17 "Average Difference" HN 26 0.447 -0.134 0.434 18705 103 1 18 "Average Difference" N 26 3.104 0.072 3.165 18705 104 1 18 "Average Difference" HA 31 0.427 -0.122 0.416 18705 105 1 18 "Average Difference" C 15 1.254 0.144 1.289 18705 106 1 18 "Average Difference" CA 27 1.911 0.646 1.832 18705 107 1 18 "Average Difference" CB 25 8.086 -4.387 6.932 18705 108 1 18 "Average Difference" HN 26 0.509 -0.160 0.493 18705 109 1 19 "Average Difference" N 26 2.996 0.034 3.056 18705 110 1 19 "Average Difference" HA 31 0.430 -0.151 0.410 18705 111 1 19 "Average Difference" C 15 1.184 0.093 1.222 18705 112 1 19 "Average Difference" CA 27 1.842 0.768 1.706 18705 113 1 19 "Average Difference" CB 25 8.041 -4.306 6.931 18705 114 1 19 "Average Difference" HN 26 0.429 -0.135 0.415 18705 115 1 20 "Average Difference" N 26 2.919 -0.089 2.975 18705 116 1 20 "Average Difference" HA 31 0.390 -0.112 0.380 18705 117 1 20 "Average Difference" C 15 1.261 0.153 1.295 18705 118 1 20 "Average Difference" CA 27 1.862 0.767 1.729 18705 119 1 20 "Average Difference" CB 25 8.062 -4.315 6.950 18705 120 1 20 "Average Difference" HN 26 0.429 -0.138 0.414 18705 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 18705 _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 THR N N 2 118.310 118.310 116.272 2.038 18705 2 1 . 1 1 2 2 THR HA H 2 4.398 4.398 4.672 -0.274 18705 3 1 . 1 1 2 2 THR CA C 2 62.489 62.489 61.712 0.777 18705 4 1 . 1 1 2 2 THR CB C 2 70.031 70.031 69.653 0.378 18705 5 1 . 1 1 2 2 THR H H 2 8.979 8.979 8.448 0.531 18705 6 1 . 1 1 3 3 CYS N N 3 123.108 123.108 128.365 -5.257 18705 7 1 . 1 1 3 3 CYS HA H 3 5.653 5.653 5.072 0.581 18705 8 1 . 1 1 3 3 CYS C C 3 172.018 172.018 174.459 -2.441 18705 9 1 . 1 1 3 3 CYS CA C 3 55.069 55.069 58.407 -3.339 18705 10 1 . 1 1 3 3 CYS CB C 3 49.718 49.718 27.353 22.365 18705 11 1 . 1 1 3 3 CYS H H 3 8.541 8.541 9.154 -0.613 18705 12 1 . 1 1 4 4 TYR HA H 4 4.609 4.609 4.834 -0.225 18705 13 1 . 1 1 4 4 TYR CA C 4 56.618 56.618 56.460 0.158 18705 14 1 . 1 1 4 4 TYR CB C 4 42.182 42.182 39.136 3.046 18705 15 1 . 1 1 5 5 CYS N N 5 119.803 119.803 121.307 -1.504 18705 16 1 . 1 1 5 5 CYS HA H 5 4.612 4.612 5.627 -1.015 18705 17 1 . 1 1 5 5 CYS CA C 5 56.553 56.553 57.907 -1.354 18705 18 1 . 1 1 5 5 CYS CB C 5 42.208 42.208 27.718 14.490 18705 19 1 . 1 1 5 5 CYS H H 5 9.195 9.195 8.715 0.480 18705 20 1 . 1 1 6 6 ARG N N 6 123.484 123.484 122.441 1.043 18705 21 1 . 1 1 6 6 ARG HA H 6 5.333 5.333 4.991 0.342 18705 22 1 . 1 1 6 6 ARG CA C 6 55.045 55.045 54.564 0.480 18705 23 1 . 1 1 6 6 ARG CB C 6 40.925 40.925 32.379 8.546 18705 24 1 . 1 1 6 6 ARG H H 6 8.999 8.999 9.199 -0.200 18705 25 1 . 1 1 7 7 THR N N 7 126.371 126.371 117.807 8.564 18705 26 1 . 1 1 7 7 THR HA H 7 4.917 4.917 3.566 1.351 18705 27 1 . 1 1 7 7 THR CA C 7 62.395 62.395 61.898 0.497 18705 28 1 . 1 1 7 7 THR CB C 7 71.434 71.434 67.322 4.112 18705 29 1 . 1 1 7 7 THR H H 7 9.531 9.531 8.650 0.881 18705 30 1 . 1 1 8 8 GLY N N 8 112.530 112.530 111.846 0.684 18705 31 1 . 1 1 8 8 GLY C C 8 172.685 172.685 172.094 0.591 18705 32 1 . 1 1 8 8 GLY CA C 8 44.809 44.809 44.457 0.352 18705 33 1 . 1 1 8 8 GLY H H 8 8.004 8.004 7.514 0.490 18705 34 1 . 1 1 9 9 ARG N N 9 119.486 119.486 119.182 0.304 18705 35 1 . 1 1 9 9 ARG HA H 9 4.283 4.283 4.320 -0.037 18705 36 1 . 1 1 9 9 ARG C C 9 176.627 176.627 175.297 1.330 18705 37 1 . 1 1 9 9 ARG CA C 9 55.748 55.748 56.686 -0.938 18705 38 1 . 1 1 9 9 ARG CB C 9 31.418 31.418 31.278 0.140 18705 39 1 . 1 1 9 9 ARG H H 9 8.183 8.183 8.316 -0.133 18705 40 1 . 1 1 10 10 CYS N N 10 116.919 116.919 118.686 -1.767 18705 41 1 . 1 1 10 10 CYS HA H 10 4.874 4.874 4.563 0.311 18705 42 1 . 1 1 10 10 CYS C C 10 174.788 174.788 174.144 0.644 18705 43 1 . 1 1 10 10 CYS CA C 10 52.737 52.737 58.048 -5.311 18705 44 1 . 1 1 10 10 CYS CB C 10 35.343 35.343 28.945 6.398 18705 45 1 . 1 1 10 10 CYS H H 10 8.595 8.595 8.251 0.344 18705 46 1 . 1 1 11 11 ALA N N 11 124.805 124.805 122.155 2.650 18705 47 1 . 1 1 11 11 ALA HA H 11 4.433 4.433 4.605 -0.172 18705 48 1 . 1 1 11 11 ALA C C 11 177.552 177.552 178.711 -1.159 18705 49 1 . 1 1 11 11 ALA CA C 11 51.381 51.381 51.594 -0.213 18705 50 1 . 1 1 11 11 ALA CB C 11 19.400 19.400 19.723 -0.323 18705 51 1 . 1 1 11 11 ALA H H 11 8.590 8.590 8.713 -0.123 18705 52 1 . 1 1 12 12 THR N N 12 114.885 114.885 115.482 -0.597 18705 53 1 . 1 1 12 12 THR HA H 12 4.002 4.002 4.032 -0.030 18705 54 1 . 1 1 12 12 THR C C 12 174.815 174.815 175.630 -0.815 18705 55 1 . 1 1 12 12 THR CA C 12 65.118 65.118 65.545 -0.427 18705 56 1 . 1 1 12 12 THR CB C 12 68.792 68.792 68.821 -0.029 18705 57 1 . 1 1 12 12 THR H H 12 8.238 8.238 8.485 -0.247 18705 58 1 . 1 1 13 13 ARG N N 13 116.842 116.842 117.915 -1.073 18705 59 1 . 1 1 13 13 ARG HA H 13 4.148 4.148 4.191 -0.043 18705 60 1 . 1 1 13 13 ARG C C 13 175.566 175.566 176.908 -1.342 18705 61 1 . 1 1 13 13 ARG CA C 13 57.592 57.592 57.202 0.390 18705 62 1 . 1 1 13 13 ARG CB C 13 28.486 28.486 29.880 -1.394 18705 63 1 . 1 1 13 13 ARG H H 13 8.518 8.518 8.374 0.144 18705 64 1 . 1 1 14 14 GLU N N 14 117.264 117.264 118.211 -0.947 18705 65 1 . 1 1 14 14 GLU HA H 14 4.686 4.686 4.487 0.199 18705 66 1 . 1 1 14 14 GLU C C 14 176.183 176.183 176.291 -0.108 18705 67 1 . 1 1 14 14 GLU CA C 14 54.645 54.645 56.329 -1.684 18705 68 1 . 1 1 14 14 GLU CB C 14 32.073 32.073 30.554 1.519 18705 69 1 . 1 1 14 14 GLU H H 14 7.855 7.855 7.489 0.366 18705 70 1 . 1 1 15 15 SER N N 15 114.972 114.972 114.620 0.352 18705 71 1 . 1 1 15 15 SER HA H 15 4.807 4.807 4.671 0.136 18705 72 1 . 1 1 15 15 SER C C 15 174.427 174.427 173.718 0.709 18705 73 1 . 1 1 15 15 SER CA C 15 56.875 56.875 56.676 0.199 18705 74 1 . 1 1 15 15 SER CB C 15 65.036 65.036 65.433 -0.397 18705 75 1 . 1 1 15 15 SER H H 15 9.273 9.273 8.846 0.427 18705 76 1 . 1 1 16 16 LEU N N 16 129.724 129.724 127.557 2.167 18705 77 1 . 1 1 16 16 LEU HA H 16 4.791 4.791 4.903 -0.112 18705 78 1 . 1 1 16 16 LEU C C 16 177.525 177.525 177.712 -0.187 18705 79 1 . 1 1 16 16 LEU CA C 16 56.384 56.384 54.901 1.483 18705 80 1 . 1 1 16 16 LEU CB C 16 41.437 41.437 42.322 -0.885 18705 81 1 . 1 1 16 16 LEU H H 16 9.076 9.076 8.888 0.188 18705 82 1 . 1 1 17 17 SER N N 17 123.451 123.451 120.925 2.526 18705 83 1 . 1 1 17 17 SER HA H 17 4.877 4.877 4.633 0.244 18705 84 1 . 1 1 17 17 SER CA C 17 58.092 58.092 58.120 -0.028 18705 85 1 . 1 1 17 17 SER CB C 17 65.350 65.350 64.797 0.553 18705 86 1 . 1 1 17 17 SER H H 17 9.387 9.387 9.103 0.284 18705 87 1 . 1 1 18 18 GLY N N 18 107.233 107.233 109.535 -2.302 18705 88 1 . 1 1 18 18 GLY CA C 18 44.935 44.935 45.175 -0.240 18705 89 1 . 1 1 18 18 GLY H H 18 7.608 7.608 7.338 0.270 18705 90 1 . 1 1 19 19 VAL N N 19 118.833 118.833 120.308 -1.475 18705 91 1 . 1 1 19 19 VAL HA H 19 5.065 5.065 4.812 0.253 18705 92 1 . 1 1 19 19 VAL CA C 19 60.314 60.314 60.919 -0.605 18705 93 1 . 1 1 19 19 VAL CB C 19 35.289 35.289 32.619 2.670 18705 94 1 . 1 1 19 19 VAL H H 19 8.692 8.692 8.252 0.440 18705 95 1 . 1 1 20 20 CYS N N 20 121.714 121.714 127.976 -6.262 18705 96 1 . 1 1 20 20 CYS HA H 20 4.892 4.892 4.536 0.356 18705 97 1 . 1 1 20 20 CYS C C 20 176.328 176.328 173.675 2.653 18705 98 1 . 1 1 20 20 CYS CA C 20 54.476 54.476 59.313 -4.837 18705 99 1 . 1 1 20 20 CYS CB C 20 43.178 43.178 29.178 14.000 18705 100 1 . 1 1 20 20 CYS H H 20 8.133 8.133 9.167 -1.034 18705 101 1 . 1 1 22 22 ILE N N 22 124.351 124.351 124.484 -0.133 18705 102 1 . 1 1 22 22 ILE HA H 22 4.341 4.341 4.365 -0.024 18705 103 1 . 1 1 22 22 ILE C C 22 176.380 176.380 175.835 0.545 18705 104 1 . 1 1 22 22 ILE CA C 22 61.260 61.260 59.883 1.377 18705 105 1 . 1 1 22 22 ILE CB C 22 40.877 40.877 40.540 0.337 18705 106 1 . 1 1 22 22 ILE H H 22 8.865 8.865 9.081 -0.216 18705 107 1 . 1 1 23 23 SER N N 23 124.886 124.886 121.977 2.909 18705 108 1 . 1 1 23 23 SER HA H 23 4.108 4.108 4.077 0.031 18705 109 1 . 1 1 23 23 SER CA C 23 58.444 58.444 58.982 -0.538 18705 110 1 . 1 1 23 23 SER CB C 23 62.226 62.226 62.168 0.058 18705 111 1 . 1 1 23 23 SER H H 23 9.633 9.633 9.115 0.518 18705 112 1 . 1 1 24 24 GLY N N 24 104.151 104.151 107.041 -2.890 18705 113 1 . 1 1 24 24 GLY C C 24 173.429 173.429 173.904 -0.475 18705 114 1 . 1 1 24 24 GLY CA C 24 45.233 45.233 44.977 0.256 18705 115 1 . 1 1 24 24 GLY H H 24 8.635 8.635 8.351 0.284 18705 116 1 . 1 1 25 25 ARG N N 25 121.072 121.072 121.441 -0.369 18705 117 1 . 1 1 25 25 ARG HA H 25 4.580 4.580 4.634 -0.054 18705 118 1 . 1 1 25 25 ARG C C 25 174.701 174.701 175.209 -0.508 18705 119 1 . 1 1 25 25 ARG CA C 25 54.268 54.268 55.136 -0.868 18705 120 1 . 1 1 25 25 ARG CB C 25 32.556 32.556 32.282 0.274 18705 121 1 . 1 1 25 25 ARG H H 25 7.969 7.969 8.036 -0.067 18705 122 1 . 1 1 26 26 LEU N N 26 124.251 124.251 125.129 -0.878 18705 123 1 . 1 1 26 26 LEU HA H 26 4.799 4.799 4.700 0.099 18705 124 1 . 1 1 26 26 LEU CA C 26 55.937 55.937 55.244 0.692 18705 125 1 . 1 1 26 26 LEU CB C 26 42.847 42.847 42.319 0.528 18705 126 1 . 1 1 26 26 LEU H H 26 8.161 8.161 8.548 -0.387 18705 127 1 . 1 1 27 27 TYR N N 27 122.809 122.809 123.632 -0.823 18705 128 1 . 1 1 27 27 TYR HA H 27 4.786 4.786 4.765 0.021 18705 129 1 . 1 1 27 27 TYR CA C 27 54.099 54.099 56.949 -2.850 18705 130 1 . 1 1 27 27 TYR CB C 27 40.954 40.954 42.594 -1.640 18705 131 1 . 1 1 27 27 TYR H H 27 9.173 9.173 9.058 0.115 18705 132 1 . 1 1 29 29 LEU HA H 29 4.612 4.612 5.053 -0.441 18705 133 1 . 1 1 29 29 LEU CB C 29 42.860 42.860 43.904 -1.044 18705 134 1 . 1 1 30 30 CYS N N 30 127.797 127.797 122.406 5.391 18705 135 1 . 1 1 30 30 CYS HA H 30 5.442 5.442 5.421 0.021 18705 136 1 . 1 1 30 30 CYS CA C 30 53.458 53.458 54.719 -1.261 18705 137 1 . 1 1 30 30 CYS CB C 30 43.152 43.152 28.796 14.356 18705 138 1 . 1 1 30 30 CYS H H 30 9.020 9.020 8.166 0.854 18705 139 1 . 1 1 31 31 CYS N N 31 120.526 120.526 123.125 -2.599 18705 140 1 . 1 1 31 31 CYS HA H 31 5.767 5.767 5.385 0.382 18705 141 1 . 1 1 31 31 CYS C C 31 173.200 173.200 174.453 -1.253 18705 142 1 . 1 1 31 31 CYS CA C 31 55.684 55.684 57.864 -2.180 18705 143 1 . 1 1 31 31 CYS CB C 31 49.066 49.066 30.115 18.951 18705 144 1 . 1 1 31 31 CYS H H 31 9.049 9.049 9.038 0.011 18705 stop_ save_