data_25574 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25574 _Entry.PDB_ID 2N1S 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 25574 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.351 -0.154 25574 2 1 1 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.080 0.085 25574 3 1 1 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.707 -0.684 25574 4 1 1 . 1 1 2 2 ALA H H 2 8.200 8.200 8.146 0.054 25574 5 1 1 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.603 0.230 25574 6 1 1 . 1 1 3 3 GLY H H 3 8.540 8.540 7.859 0.681 25574 7 1 1 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.255 -0.813 25574 8 1 1 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.682 0.144 25574 9 1 1 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.105 0.213 25574 10 1 1 . 1 1 4 4 GLN H H 4 8.298 8.298 8.525 -0.227 25574 11 1 1 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.557 -0.179 25574 12 1 1 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.693 -4.845 25574 13 1 1 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.079 14.317 25574 14 1 1 . 1 1 5 5 CYS H H 5 7.699 7.699 8.600 -0.901 25574 15 1 1 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.581 0.132 25574 16 1 1 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.379 -0.282 25574 17 1 1 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.467 -0.554 25574 18 1 1 . 1 1 6 6 TYR H H 6 8.716 8.716 9.034 -0.318 25574 19 1 1 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.945 -0.304 25574 20 1 1 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.849 -0.219 25574 21 1 1 . 1 1 7 7 ARG CB C 7 27.555 27.555 29.196 -1.641 25574 22 1 1 . 1 1 7 7 ARG H H 7 9.072 9.072 9.164 -0.092 25574 23 1 1 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.121 0.106 25574 24 1 1 . 1 1 8 8 GLY H H 8 8.249 8.249 8.571 -0.322 25574 25 1 1 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.656 0.057 25574 26 1 1 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.752 -0.888 25574 27 1 1 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.318 -0.058 25574 28 1 1 . 1 1 9 9 ARG H H 9 7.816 7.816 7.780 0.036 25574 29 1 1 . 1 1 10 10 CYS HA H 10 4.986 4.986 5.027 -0.041 25574 30 1 1 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.624 -4.158 25574 31 1 1 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.672 16.609 25574 32 1 1 . 1 1 10 10 CYS H H 10 8.618 8.618 8.929 -0.311 25574 33 1 1 . 1 1 11 11 SER HA H 11 4.597 4.597 4.482 0.115 25574 34 1 1 . 1 1 11 11 SER CA C 11 57.879 57.879 58.505 -0.626 25574 35 1 1 . 1 1 11 11 SER CB C 11 64.063 64.063 63.937 0.126 25574 36 1 1 . 1 1 11 11 SER H H 11 8.610 8.610 8.549 0.061 25574 37 1 1 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.469 1.175 25574 38 1 1 . 1 1 12 12 GLY H H 12 8.618 8.618 8.618 0.000 25574 39 1 1 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.556 -0.570 25574 40 1 1 . 1 1 13 13 GLY H H 13 8.620 8.620 8.265 0.355 25574 41 1 1 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.317 -0.034 25574 42 1 1 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.188 -0.882 25574 43 1 1 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.194 -1.165 25574 44 1 1 . 1 1 14 14 LEU H H 14 7.063 7.063 7.702 -0.639 25574 45 1 1 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.739 -0.297 25574 46 1 1 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.572 -4.520 25574 47 1 1 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.362 19.947 25574 48 1 1 . 1 1 15 15 CYS H H 15 9.046 9.046 8.571 0.475 25574 49 1 1 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.809 -0.009 25574 50 1 1 . 1 1 16 16 CYS CA C 16 55.835 55.835 57.996 -2.161 25574 51 1 1 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.391 14.893 25574 52 1 1 . 1 1 16 16 CYS H H 16 8.685 8.685 8.708 -0.023 25574 53 1 1 . 1 1 17 17 SER HA H 17 4.892 4.892 4.332 0.560 25574 54 1 1 . 1 1 17 17 SER CA C 17 57.178 57.178 57.713 -0.535 25574 55 1 1 . 1 1 17 17 SER CB C 17 66.501 66.501 64.894 1.607 25574 56 1 1 . 1 1 17 17 SER H H 17 9.830 9.830 8.653 1.177 25574 57 1 1 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.050 -0.029 25574 58 1 1 . 1 1 18 18 LYS CA C 18 57.853 57.853 57.917 -0.064 25574 59 1 1 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.154 -0.831 25574 60 1 1 . 1 1 18 18 LYS H H 18 8.916 8.916 8.793 0.123 25574 61 1 1 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.340 0.287 25574 62 1 1 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.738 -0.872 25574 63 1 1 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.401 -0.011 25574 64 1 1 . 1 1 19 19 TYR H H 19 7.406 7.406 7.469 -0.063 25574 65 1 1 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.388 1.088 25574 66 1 1 . 1 1 20 20 GLY H H 20 7.960 7.960 7.617 0.343 25574 67 1 1 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.561 -0.494 25574 68 1 1 . 1 1 21 21 TYR CA C 21 57.097 57.097 54.857 2.240 25574 69 1 1 . 1 1 21 21 TYR CB C 21 42.270 42.270 38.924 3.346 25574 70 1 1 . 1 1 21 21 TYR H H 21 7.518 7.518 7.499 0.019 25574 71 1 1 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.563 0.001 25574 72 1 1 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.753 -4.679 25574 73 1 1 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.348 15.798 25574 74 1 1 . 1 1 22 22 CYS H H 22 8.725 8.725 8.879 -0.154 25574 75 1 1 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.332 -0.324 25574 76 1 1 . 1 1 23 23 GLY H H 23 8.751 8.751 8.775 -0.024 25574 77 1 1 . 1 1 24 24 SER HA H 24 5.091 5.091 4.729 0.362 25574 78 1 1 . 1 1 24 24 SER CA C 24 56.600 56.600 56.177 0.423 25574 79 1 1 . 1 1 24 24 SER CB C 24 65.722 65.722 64.676 1.046 25574 80 1 1 . 1 1 24 24 SER H H 24 7.967 7.967 7.966 0.001 25574 81 1 1 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.447 0.273 25574 82 1 1 . 1 1 25 25 GLY H H 25 8.271 8.271 8.236 0.035 25574 83 1 1 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.454 -0.164 25574 84 1 1 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.908 0.374 25574 85 1 1 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.926 -0.022 25574 86 1 1 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.330 -0.222 25574 87 1 1 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.622 0.121 25574 88 1 1 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.522 -0.583 25574 89 1 1 . 1 1 27 27 ALA H H 27 8.685 8.685 8.505 0.180 25574 90 1 1 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.731 -0.612 25574 91 1 1 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.817 -8.053 25574 92 1 1 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.203 0.961 25574 93 1 1 . 1 1 28 28 TYR H H 28 7.708 7.708 7.553 0.155 25574 94 1 1 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.606 -0.085 25574 95 1 1 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.641 -4.659 25574 96 1 1 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.691 14.367 25574 97 1 1 . 1 1 29 29 CYS H H 29 8.470 8.470 8.248 0.222 25574 98 1 2 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.912 -0.715 25574 99 1 2 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.733 -1.568 25574 100 1 2 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.012 0.011 25574 101 1 2 . 1 1 2 2 ALA H H 2 8.200 8.200 10.705 -2.505 25574 102 1 2 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.498 0.335 25574 103 1 2 . 1 1 3 3 GLY H H 3 8.540 8.540 7.992 0.548 25574 104 1 2 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.350 -0.908 25574 105 1 2 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.497 0.329 25574 106 1 2 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.691 -0.372 25574 107 1 2 . 1 1 4 4 GLN H H 4 8.298 8.298 8.611 -0.313 25574 108 1 2 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.615 -0.237 25574 109 1 2 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.093 -4.245 25574 110 1 2 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.509 13.887 25574 111 1 2 . 1 1 5 5 CYS H H 5 7.699 7.699 8.584 -0.885 25574 112 1 2 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.644 0.069 25574 113 1 2 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.715 -0.619 25574 114 1 2 . 1 1 6 6 TYR CB C 6 38.913 38.913 40.209 -1.296 25574 115 1 2 . 1 1 6 6 TYR H H 6 8.716 8.716 8.768 -0.052 25574 116 1 2 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.851 -0.210 25574 117 1 2 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.908 -0.278 25574 118 1 2 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.271 -0.716 25574 119 1 2 . 1 1 7 7 ARG H H 7 9.072 9.072 9.027 0.045 25574 120 1 2 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.883 0.345 25574 121 1 2 . 1 1 8 8 GLY H H 8 8.249 8.249 8.555 -0.306 25574 122 1 2 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.711 0.002 25574 123 1 2 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.326 -0.462 25574 124 1 2 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.248 0.012 25574 125 1 2 . 1 1 9 9 ARG H H 9 7.816 7.816 7.975 -0.159 25574 126 1 2 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.871 0.115 25574 127 1 2 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.406 -3.940 25574 128 1 2 . 1 1 10 10 CYS CB C 10 46.281 46.281 30.648 15.633 25574 129 1 2 . 1 1 10 10 CYS H H 10 8.618 8.618 8.759 -0.141 25574 130 1 2 . 1 1 11 11 SER HA H 11 4.597 4.597 4.522 0.075 25574 131 1 2 . 1 1 11 11 SER CA C 11 57.879 57.879 59.060 -1.181 25574 132 1 2 . 1 1 11 11 SER CB C 11 64.063 64.063 64.037 0.026 25574 133 1 2 . 1 1 11 11 SER H H 11 8.610 8.610 8.808 -0.198 25574 134 1 2 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.648 0.996 25574 135 1 2 . 1 1 12 12 GLY H H 12 8.618 8.618 8.700 -0.082 25574 136 1 2 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.615 -0.629 25574 137 1 2 . 1 1 13 13 GLY H H 13 8.620 8.620 8.249 0.371 25574 138 1 2 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.270 0.013 25574 139 1 2 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.574 -1.268 25574 140 1 2 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.026 -0.997 25574 141 1 2 . 1 1 14 14 LEU H H 14 7.063 7.063 7.586 -0.523 25574 142 1 2 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.784 -0.342 25574 143 1 2 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.386 -4.334 25574 144 1 2 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.690 20.619 25574 145 1 2 . 1 1 15 15 CYS H H 15 9.046 9.046 8.497 0.549 25574 146 1 2 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.800 -0.000 25574 147 1 2 . 1 1 16 16 CYS CA C 16 55.835 55.835 57.999 -2.164 25574 148 1 2 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.369 14.915 25574 149 1 2 . 1 1 16 16 CYS H H 16 8.685 8.685 8.707 -0.022 25574 150 1 2 . 1 1 17 17 SER HA H 17 4.892 4.892 4.423 0.469 25574 151 1 2 . 1 1 17 17 SER CA C 17 57.178 57.178 57.751 -0.573 25574 152 1 2 . 1 1 17 17 SER CB C 17 66.501 66.501 65.093 1.408 25574 153 1 2 . 1 1 17 17 SER H H 17 9.830 9.830 8.670 1.160 25574 154 1 2 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.119 -0.098 25574 155 1 2 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.176 -0.323 25574 156 1 2 . 1 1 18 18 LYS CB C 18 31.323 31.323 31.608 -0.285 25574 157 1 2 . 1 1 18 18 LYS H H 18 8.916 8.916 8.759 0.157 25574 158 1 2 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.360 0.267 25574 159 1 2 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.791 -0.925 25574 160 1 2 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.292 0.098 25574 161 1 2 . 1 1 19 19 TYR H H 19 7.406 7.406 7.584 -0.178 25574 162 1 2 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.395 1.081 25574 163 1 2 . 1 1 20 20 GLY H H 20 7.960 7.960 7.626 0.334 25574 164 1 2 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.571 -0.504 25574 165 1 2 . 1 1 21 21 TYR CA C 21 57.097 57.097 54.876 2.221 25574 166 1 2 . 1 1 21 21 TYR CB C 21 42.270 42.270 38.931 3.340 25574 167 1 2 . 1 1 21 21 TYR H H 21 7.518 7.518 7.507 0.011 25574 168 1 2 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.500 0.064 25574 169 1 2 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.547 -4.473 25574 170 1 2 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.739 15.407 25574 171 1 2 . 1 1 22 22 CYS H H 22 8.725 8.725 9.019 -0.294 25574 172 1 2 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.499 -0.491 25574 173 1 2 . 1 1 23 23 GLY H H 23 8.751 8.751 9.011 -0.260 25574 174 1 2 . 1 1 24 24 SER HA H 24 5.091 5.091 4.681 0.410 25574 175 1 2 . 1 1 24 24 SER CA C 24 56.600 56.600 56.502 0.098 25574 176 1 2 . 1 1 24 24 SER CB C 24 65.722 65.722 64.287 1.435 25574 177 1 2 . 1 1 24 24 SER H H 24 7.967 7.967 7.995 -0.028 25574 178 1 2 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.452 0.269 25574 179 1 2 . 1 1 25 25 GLY H H 25 8.271 8.271 8.333 -0.062 25574 180 1 2 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.452 -0.162 25574 181 1 2 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.927 0.355 25574 182 1 2 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.934 -0.030 25574 183 1 2 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.332 -0.224 25574 184 1 2 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.620 0.123 25574 185 1 2 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.534 -0.595 25574 186 1 2 . 1 1 27 27 ALA H H 27 8.685 8.685 8.516 0.169 25574 187 1 2 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.733 -0.614 25574 188 1 2 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.826 -8.062 25574 189 1 2 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.205 0.959 25574 190 1 2 . 1 1 28 28 TYR H H 28 7.708 7.708 7.554 0.154 25574 191 1 2 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.575 -0.054 25574 192 1 2 . 1 1 29 29 CYS CA C 29 54.982 54.982 60.016 -5.034 25574 193 1 2 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.810 14.248 25574 194 1 2 . 1 1 29 29 CYS H H 29 8.470 8.470 8.204 0.266 25574 195 1 3 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.903 -0.706 25574 196 1 3 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.353 -1.188 25574 197 1 3 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.256 -0.233 25574 198 1 3 . 1 1 2 2 ALA H H 2 8.200 8.200 10.261 -2.061 25574 199 1 3 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.855 -0.022 25574 200 1 3 . 1 1 3 3 GLY H H 3 8.540 8.540 7.951 0.589 25574 201 1 3 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.235 -0.793 25574 202 1 3 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.469 0.357 25574 203 1 3 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.705 -0.387 25574 204 1 3 . 1 1 4 4 GLN H H 4 8.298 8.298 8.391 -0.093 25574 205 1 3 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.572 -0.195 25574 206 1 3 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.516 -4.668 25574 207 1 3 . 1 1 5 5 CYS CB C 5 41.396 41.396 26.981 14.415 25574 208 1 3 . 1 1 5 5 CYS H H 5 7.699 7.699 8.493 -0.794 25574 209 1 3 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.567 0.146 25574 210 1 3 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.639 -0.542 25574 211 1 3 . 1 1 6 6 TYR CB C 6 38.913 38.913 38.992 -0.079 25574 212 1 3 . 1 1 6 6 TYR H H 6 8.716 8.716 8.822 -0.106 25574 213 1 3 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.969 -0.328 25574 214 1 3 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.951 -0.321 25574 215 1 3 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.158 -0.603 25574 216 1 3 . 1 1 7 7 ARG H H 7 9.072 9.072 9.251 -0.179 25574 217 1 3 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.986 0.241 25574 218 1 3 . 1 1 8 8 GLY H H 8 8.249 8.249 8.467 -0.218 25574 219 1 3 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.790 -0.077 25574 220 1 3 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.484 0.380 25574 221 1 3 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.204 0.056 25574 222 1 3 . 1 1 9 9 ARG H H 9 7.816 7.816 7.563 0.253 25574 223 1 3 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.961 0.025 25574 224 1 3 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.134 -3.668 25574 225 1 3 . 1 1 10 10 CYS CB C 10 46.281 46.281 30.920 15.361 25574 226 1 3 . 1 1 10 10 CYS H H 10 8.618 8.618 8.666 -0.048 25574 227 1 3 . 1 1 11 11 SER HA H 11 4.597 4.597 4.630 -0.033 25574 228 1 3 . 1 1 11 11 SER CA C 11 57.879 57.879 58.323 -0.444 25574 229 1 3 . 1 1 11 11 SER CB C 11 64.063 64.063 64.249 -0.186 25574 230 1 3 . 1 1 11 11 SER H H 11 8.610 8.610 8.852 -0.242 25574 231 1 3 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.400 1.244 25574 232 1 3 . 1 1 12 12 GLY H H 12 8.618 8.618 8.772 -0.154 25574 233 1 3 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.620 -0.634 25574 234 1 3 . 1 1 13 13 GLY H H 13 8.620 8.620 8.334 0.286 25574 235 1 3 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.288 -0.005 25574 236 1 3 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.456 -1.150 25574 237 1 3 . 1 1 14 14 LEU CB C 14 42.029 42.029 42.950 -0.921 25574 238 1 3 . 1 1 14 14 LEU H H 14 7.063 7.063 7.604 -0.541 25574 239 1 3 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.765 -0.323 25574 240 1 3 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.514 -4.462 25574 241 1 3 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.434 20.875 25574 242 1 3 . 1 1 15 15 CYS H H 15 9.046 9.046 8.474 0.572 25574 243 1 3 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.803 -0.003 25574 244 1 3 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.042 -2.207 25574 245 1 3 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.390 14.894 25574 246 1 3 . 1 1 16 16 CYS H H 16 8.685 8.685 8.704 -0.019 25574 247 1 3 . 1 1 17 17 SER HA H 17 4.892 4.892 4.398 0.494 25574 248 1 3 . 1 1 17 17 SER CA C 17 57.178 57.178 57.765 -0.587 25574 249 1 3 . 1 1 17 17 SER CB C 17 66.501 66.501 64.952 1.549 25574 250 1 3 . 1 1 17 17 SER H H 17 9.830 9.830 8.629 1.201 25574 251 1 3 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.096 -0.075 25574 252 1 3 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.185 -0.332 25574 253 1 3 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.166 -0.843 25574 254 1 3 . 1 1 18 18 LYS H H 18 8.916 8.916 8.834 0.082 25574 255 1 3 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.348 0.279 25574 256 1 3 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.890 -1.024 25574 257 1 3 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.392 -0.002 25574 258 1 3 . 1 1 19 19 TYR H H 19 7.406 7.406 7.558 -0.152 25574 259 1 3 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.322 1.155 25574 260 1 3 . 1 1 20 20 GLY H H 20 7.960 7.960 7.629 0.331 25574 261 1 3 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.509 -0.442 25574 262 1 3 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.247 1.850 25574 263 1 3 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.071 3.199 25574 264 1 3 . 1 1 21 21 TYR H H 21 7.518 7.518 7.526 -0.008 25574 265 1 3 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.564 -0.000 25574 266 1 3 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.694 -4.620 25574 267 1 3 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.386 15.761 25574 268 1 3 . 1 1 22 22 CYS H H 22 8.725 8.725 8.879 -0.154 25574 269 1 3 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.295 -0.287 25574 270 1 3 . 1 1 23 23 GLY H H 23 8.751 8.751 8.792 -0.041 25574 271 1 3 . 1 1 24 24 SER HA H 24 5.091 5.091 4.724 0.367 25574 272 1 3 . 1 1 24 24 SER CA C 24 56.600 56.600 56.180 0.420 25574 273 1 3 . 1 1 24 24 SER CB C 24 65.722 65.722 64.494 1.228 25574 274 1 3 . 1 1 24 24 SER H H 24 7.967 7.967 7.961 0.006 25574 275 1 3 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.440 0.280 25574 276 1 3 . 1 1 25 25 GLY H H 25 8.271 8.271 8.274 -0.003 25574 277 1 3 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.453 -0.163 25574 278 1 3 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.925 0.357 25574 279 1 3 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.931 -0.027 25574 280 1 3 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.333 -0.225 25574 281 1 3 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.635 0.109 25574 282 1 3 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.531 -0.592 25574 283 1 3 . 1 1 27 27 ALA H H 27 8.685 8.685 8.518 0.167 25574 284 1 3 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.736 -0.617 25574 285 1 3 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.829 -8.065 25574 286 1 3 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.217 0.947 25574 287 1 3 . 1 1 28 28 TYR H H 28 7.708 7.708 7.554 0.154 25574 288 1 3 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.577 -0.056 25574 289 1 3 . 1 1 29 29 CYS CA C 29 54.982 54.982 60.007 -5.024 25574 290 1 3 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.803 14.255 25574 291 1 3 . 1 1 29 29 CYS H H 29 8.470 8.470 8.211 0.259 25574 292 1 4 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.471 -0.274 25574 293 1 4 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.555 -0.390 25574 294 1 4 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.869 -0.846 25574 295 1 4 . 1 1 2 2 ALA H H 2 8.200 8.200 8.925 -0.725 25574 296 1 4 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.734 0.099 25574 297 1 4 . 1 1 3 3 GLY H H 3 8.540 8.540 7.980 0.560 25574 298 1 4 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.806 -0.364 25574 299 1 4 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.353 0.473 25574 300 1 4 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.272 0.046 25574 301 1 4 . 1 1 4 4 GLN H H 4 8.298 8.298 8.482 -0.184 25574 302 1 4 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.534 -0.156 25574 303 1 4 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.039 -4.191 25574 304 1 4 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.726 13.671 25574 305 1 4 . 1 1 5 5 CYS H H 5 7.699 7.699 8.412 -0.713 25574 306 1 4 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.586 0.127 25574 307 1 4 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.624 -0.527 25574 308 1 4 . 1 1 6 6 TYR CB C 6 38.913 38.913 40.785 -1.871 25574 309 1 4 . 1 1 6 6 TYR H H 6 8.716 8.716 8.580 0.136 25574 310 1 4 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.875 -0.234 25574 311 1 4 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.895 -0.265 25574 312 1 4 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.978 -1.423 25574 313 1 4 . 1 1 7 7 ARG H H 7 9.072 9.072 8.990 0.082 25574 314 1 4 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.075 0.152 25574 315 1 4 . 1 1 8 8 GLY H H 8 8.249 8.249 8.545 -0.296 25574 316 1 4 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.702 0.011 25574 317 1 4 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.949 -0.085 25574 318 1 4 . 1 1 9 9 ARG CB C 9 33.260 33.260 32.586 0.674 25574 319 1 4 . 1 1 9 9 ARG H H 9 7.816 7.816 7.709 0.107 25574 320 1 4 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.836 0.150 25574 321 1 4 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.672 -4.206 25574 322 1 4 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.756 16.525 25574 323 1 4 . 1 1 10 10 CYS H H 10 8.618 8.618 8.809 -0.191 25574 324 1 4 . 1 1 11 11 SER HA H 11 4.597 4.597 4.611 -0.014 25574 325 1 4 . 1 1 11 11 SER CA C 11 57.879 57.879 57.632 0.247 25574 326 1 4 . 1 1 11 11 SER CB C 11 64.063 64.063 63.951 0.112 25574 327 1 4 . 1 1 11 11 SER H H 11 8.610 8.610 8.753 -0.143 25574 328 1 4 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.512 1.132 25574 329 1 4 . 1 1 12 12 GLY H H 12 8.618 8.618 8.703 -0.085 25574 330 1 4 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.605 -0.619 25574 331 1 4 . 1 1 13 13 GLY H H 13 8.620 8.620 8.316 0.304 25574 332 1 4 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.285 -0.002 25574 333 1 4 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.462 -1.156 25574 334 1 4 . 1 1 14 14 LEU CB C 14 42.029 42.029 42.928 -0.899 25574 335 1 4 . 1 1 14 14 LEU H H 14 7.063 7.063 7.565 -0.502 25574 336 1 4 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.770 -0.328 25574 337 1 4 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.460 -4.408 25574 338 1 4 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.470 20.839 25574 339 1 4 . 1 1 15 15 CYS H H 15 9.046 9.046 8.486 0.560 25574 340 1 4 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.783 0.017 25574 341 1 4 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.078 -2.243 25574 342 1 4 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.338 14.946 25574 343 1 4 . 1 1 16 16 CYS H H 16 8.685 8.685 8.701 -0.016 25574 344 1 4 . 1 1 17 17 SER HA H 17 4.892 4.892 4.345 0.547 25574 345 1 4 . 1 1 17 17 SER CA C 17 57.178 57.178 57.752 -0.574 25574 346 1 4 . 1 1 17 17 SER CB C 17 66.501 66.501 64.882 1.619 25574 347 1 4 . 1 1 17 17 SER H H 17 9.830 9.830 8.657 1.173 25574 348 1 4 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.100 -0.079 25574 349 1 4 . 1 1 18 18 LYS CA C 18 57.853 57.853 57.967 -0.114 25574 350 1 4 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.197 -0.874 25574 351 1 4 . 1 1 18 18 LYS H H 18 8.916 8.916 8.792 0.124 25574 352 1 4 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.629 -0.002 25574 353 1 4 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.668 -0.802 25574 354 1 4 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.740 -0.350 25574 355 1 4 . 1 1 19 19 TYR H H 19 7.406 7.406 7.597 -0.191 25574 356 1 4 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.473 1.003 25574 357 1 4 . 1 1 20 20 GLY H H 20 7.960 7.960 7.811 0.149 25574 358 1 4 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.514 -0.447 25574 359 1 4 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.336 0.761 25574 360 1 4 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.681 2.589 25574 361 1 4 . 1 1 21 21 TYR H H 21 7.518 7.518 7.907 -0.389 25574 362 1 4 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.511 0.053 25574 363 1 4 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.608 -4.535 25574 364 1 4 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.299 15.847 25574 365 1 4 . 1 1 22 22 CYS H H 22 8.725 8.725 8.792 -0.067 25574 366 1 4 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.273 -0.265 25574 367 1 4 . 1 1 23 23 GLY H H 23 8.751 8.751 8.868 -0.117 25574 368 1 4 . 1 1 24 24 SER HA H 24 5.091 5.091 4.730 0.361 25574 369 1 4 . 1 1 24 24 SER CA C 24 56.600 56.600 56.149 0.451 25574 370 1 4 . 1 1 24 24 SER CB C 24 65.722 65.722 64.721 1.001 25574 371 1 4 . 1 1 24 24 SER H H 24 7.967 7.967 7.962 0.005 25574 372 1 4 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.447 0.273 25574 373 1 4 . 1 1 25 25 GLY H H 25 8.271 8.271 8.226 0.045 25574 374 1 4 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.449 -0.159 25574 375 1 4 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.915 0.367 25574 376 1 4 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.927 -0.023 25574 377 1 4 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.316 -0.208 25574 378 1 4 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.613 0.130 25574 379 1 4 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.517 -0.578 25574 380 1 4 . 1 1 27 27 ALA H H 27 8.685 8.685 8.509 0.176 25574 381 1 4 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.726 -0.607 25574 382 1 4 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.810 -8.046 25574 383 1 4 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.201 0.963 25574 384 1 4 . 1 1 28 28 TYR H H 28 7.708 7.708 7.547 0.161 25574 385 1 4 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.574 -0.053 25574 386 1 4 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.996 -5.014 25574 387 1 4 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.799 14.259 25574 388 1 4 . 1 1 29 29 CYS H H 29 8.470 8.470 8.205 0.265 25574 389 1 5 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.279 -0.082 25574 390 1 5 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.576 -0.411 25574 391 1 5 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.319 -0.296 25574 392 1 5 . 1 1 2 2 ALA H H 2 8.200 8.200 8.375 -0.175 25574 393 1 5 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.425 0.408 25574 394 1 5 . 1 1 3 3 GLY H H 3 8.540 8.540 7.721 0.819 25574 395 1 5 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.321 -0.879 25574 396 1 5 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.586 0.241 25574 397 1 5 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.659 -0.341 25574 398 1 5 . 1 1 4 4 GLN H H 4 8.298 8.298 8.629 -0.331 25574 399 1 5 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.575 -0.197 25574 400 1 5 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.045 -4.197 25574 401 1 5 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.588 13.808 25574 402 1 5 . 1 1 5 5 CYS H H 5 7.699 7.699 8.469 -0.770 25574 403 1 5 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.603 0.110 25574 404 1 5 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.278 -0.181 25574 405 1 5 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.196 -0.283 25574 406 1 5 . 1 1 6 6 TYR H H 6 8.716 8.716 8.474 0.242 25574 407 1 5 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.861 -0.220 25574 408 1 5 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.667 -0.037 25574 409 1 5 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.619 -1.064 25574 410 1 5 . 1 1 7 7 ARG H H 7 9.072 9.072 9.076 -0.004 25574 411 1 5 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.724 0.503 25574 412 1 5 . 1 1 8 8 GLY H H 8 8.249 8.249 8.537 -0.288 25574 413 1 5 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.678 0.035 25574 414 1 5 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.966 -0.102 25574 415 1 5 . 1 1 9 9 ARG CB C 9 33.260 33.260 31.730 1.530 25574 416 1 5 . 1 1 9 9 ARG H H 9 7.816 7.816 7.450 0.366 25574 417 1 5 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.776 0.210 25574 418 1 5 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.513 -3.047 25574 419 1 5 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.763 16.518 25574 420 1 5 . 1 1 10 10 CYS H H 10 8.618 8.618 8.916 -0.298 25574 421 1 5 . 1 1 11 11 SER HA H 11 4.597 4.597 4.442 0.155 25574 422 1 5 . 1 1 11 11 SER CA C 11 57.879 57.879 58.967 -1.088 25574 423 1 5 . 1 1 11 11 SER CB C 11 64.063 64.063 63.864 0.199 25574 424 1 5 . 1 1 11 11 SER H H 11 8.610 8.610 8.685 -0.075 25574 425 1 5 . 1 1 12 12 GLY CA C 12 46.644 46.644 46.550 0.094 25574 426 1 5 . 1 1 12 12 GLY H H 12 8.618 8.618 8.921 -0.303 25574 427 1 5 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.490 0.496 25574 428 1 5 . 1 1 13 13 GLY H H 13 8.620 8.620 8.430 0.190 25574 429 1 5 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.405 -0.122 25574 430 1 5 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.732 -1.426 25574 431 1 5 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.205 -1.176 25574 432 1 5 . 1 1 14 14 LEU H H 14 7.063 7.063 7.901 -0.838 25574 433 1 5 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.777 -0.335 25574 434 1 5 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.417 -4.365 25574 435 1 5 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.635 20.674 25574 436 1 5 . 1 1 15 15 CYS H H 15 9.046 9.046 8.477 0.569 25574 437 1 5 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.842 -0.042 25574 438 1 5 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.094 -2.259 25574 439 1 5 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.498 14.786 25574 440 1 5 . 1 1 16 16 CYS H H 16 8.685 8.685 8.703 -0.018 25574 441 1 5 . 1 1 17 17 SER HA H 17 4.892 4.892 4.378 0.514 25574 442 1 5 . 1 1 17 17 SER CA C 17 57.178 57.178 57.805 -0.627 25574 443 1 5 . 1 1 17 17 SER CB C 17 66.501 66.501 64.909 1.592 25574 444 1 5 . 1 1 17 17 SER H H 17 9.830 9.830 8.703 1.127 25574 445 1 5 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.120 -0.099 25574 446 1 5 . 1 1 18 18 LYS CA C 18 57.853 57.853 57.585 0.268 25574 447 1 5 . 1 1 18 18 LYS CB C 18 31.323 31.323 31.667 -0.344 25574 448 1 5 . 1 1 18 18 LYS H H 18 8.916 8.916 8.808 0.108 25574 449 1 5 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.379 0.248 25574 450 1 5 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.731 -0.865 25574 451 1 5 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.289 0.101 25574 452 1 5 . 1 1 19 19 TYR H H 19 7.406 7.406 7.492 -0.086 25574 453 1 5 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.344 1.132 25574 454 1 5 . 1 1 20 20 GLY H H 20 7.960 7.960 7.625 0.335 25574 455 1 5 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.419 -0.352 25574 456 1 5 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.366 1.731 25574 457 1 5 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.018 3.252 25574 458 1 5 . 1 1 21 21 TYR H H 21 7.518 7.518 7.542 -0.024 25574 459 1 5 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.479 0.085 25574 460 1 5 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.576 -4.502 25574 461 1 5 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.769 15.377 25574 462 1 5 . 1 1 22 22 CYS H H 22 8.725 8.725 9.152 -0.427 25574 463 1 5 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.489 -0.481 25574 464 1 5 . 1 1 23 23 GLY H H 23 8.751 8.751 9.006 -0.255 25574 465 1 5 . 1 1 24 24 SER HA H 24 5.091 5.091 4.679 0.412 25574 466 1 5 . 1 1 24 24 SER CA C 24 56.600 56.600 56.569 0.031 25574 467 1 5 . 1 1 24 24 SER CB C 24 65.722 65.722 64.345 1.377 25574 468 1 5 . 1 1 24 24 SER H H 24 7.967 7.967 7.995 -0.028 25574 469 1 5 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.461 0.260 25574 470 1 5 . 1 1 25 25 GLY H H 25 8.271 8.271 8.337 -0.066 25574 471 1 5 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.452 -0.162 25574 472 1 5 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.919 0.363 25574 473 1 5 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.929 -0.025 25574 474 1 5 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.324 -0.216 25574 475 1 5 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.632 0.111 25574 476 1 5 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.527 -0.588 25574 477 1 5 . 1 1 27 27 ALA H H 27 8.685 8.685 8.514 0.171 25574 478 1 5 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.724 -0.605 25574 479 1 5 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.973 -8.209 25574 480 1 5 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.231 0.933 25574 481 1 5 . 1 1 28 28 TYR H H 28 7.708 7.708 7.551 0.157 25574 482 1 5 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.573 -0.052 25574 483 1 5 . 1 1 29 29 CYS CA C 29 54.982 54.982 60.005 -5.024 25574 484 1 5 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.797 14.261 25574 485 1 5 . 1 1 29 29 CYS H H 29 8.470 8.470 8.212 0.258 25574 486 1 6 . 1 1 2 2 ALA HA H 2 4.197 4.197 5.161 -0.964 25574 487 1 6 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.915 -0.750 25574 488 1 6 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.219 -0.196 25574 489 1 6 . 1 1 2 2 ALA H H 2 8.200 8.200 10.800 -2.600 25574 490 1 6 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.618 0.215 25574 491 1 6 . 1 1 3 3 GLY H H 3 8.540 8.540 8.170 0.370 25574 492 1 6 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.299 -0.857 25574 493 1 6 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.673 0.153 25574 494 1 6 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.276 0.043 25574 495 1 6 . 1 1 4 4 GLN H H 4 8.298 8.298 8.579 -0.281 25574 496 1 6 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.478 -0.100 25574 497 1 6 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.567 -4.719 25574 498 1 6 . 1 1 5 5 CYS CB C 5 41.396 41.396 26.717 14.679 25574 499 1 6 . 1 1 5 5 CYS H H 5 7.699 7.699 8.487 -0.788 25574 500 1 6 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.735 -0.022 25574 501 1 6 . 1 1 6 6 TYR CA C 6 57.097 57.097 55.522 1.575 25574 502 1 6 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.244 -0.331 25574 503 1 6 . 1 1 6 6 TYR H H 6 8.716 8.716 8.395 0.321 25574 504 1 6 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.959 -0.318 25574 505 1 6 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.983 -0.353 25574 506 1 6 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.807 -1.252 25574 507 1 6 . 1 1 7 7 ARG H H 7 9.072 9.072 9.463 -0.391 25574 508 1 6 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.155 0.072 25574 509 1 6 . 1 1 8 8 GLY H H 8 8.249 8.249 8.421 -0.172 25574 510 1 6 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.439 0.274 25574 511 1 6 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.797 0.067 25574 512 1 6 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.267 -0.007 25574 513 1 6 . 1 1 9 9 ARG H H 9 7.816 7.816 7.598 0.218 25574 514 1 6 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.680 0.306 25574 515 1 6 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.016 -3.550 25574 516 1 6 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.224 17.057 25574 517 1 6 . 1 1 10 10 CYS H H 10 8.618 8.618 8.549 0.069 25574 518 1 6 . 1 1 11 11 SER HA H 11 4.597 4.597 4.619 -0.022 25574 519 1 6 . 1 1 11 11 SER CA C 11 57.879 57.879 59.345 -1.466 25574 520 1 6 . 1 1 11 11 SER CB C 11 64.063 64.063 64.290 -0.227 25574 521 1 6 . 1 1 11 11 SER H H 11 8.610 8.610 8.921 -0.311 25574 522 1 6 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.747 0.897 25574 523 1 6 . 1 1 12 12 GLY H H 12 8.618 8.618 8.735 -0.117 25574 524 1 6 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.632 -0.646 25574 525 1 6 . 1 1 13 13 GLY H H 13 8.620 8.620 8.270 0.350 25574 526 1 6 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.343 -0.060 25574 527 1 6 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.062 -0.756 25574 528 1 6 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.406 -1.377 25574 529 1 6 . 1 1 14 14 LEU H H 14 7.063 7.063 7.701 -0.638 25574 530 1 6 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.723 -0.281 25574 531 1 6 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.500 -4.448 25574 532 1 6 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.310 19.999 25574 533 1 6 . 1 1 15 15 CYS H H 15 9.046 9.046 8.576 0.470 25574 534 1 6 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.792 0.008 25574 535 1 6 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.002 -2.167 25574 536 1 6 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.403 14.881 25574 537 1 6 . 1 1 16 16 CYS H H 16 8.685 8.685 8.663 0.022 25574 538 1 6 . 1 1 17 17 SER HA H 17 4.892 4.892 4.384 0.508 25574 539 1 6 . 1 1 17 17 SER CA C 17 57.178 57.178 57.733 -0.555 25574 540 1 6 . 1 1 17 17 SER CB C 17 66.501 66.501 64.939 1.562 25574 541 1 6 . 1 1 17 17 SER H H 17 9.830 9.830 8.620 1.210 25574 542 1 6 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.104 -0.083 25574 543 1 6 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.188 -0.335 25574 544 1 6 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.172 -0.849 25574 545 1 6 . 1 1 18 18 LYS H H 18 8.916 8.916 8.846 0.070 25574 546 1 6 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.319 0.308 25574 547 1 6 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.744 -0.878 25574 548 1 6 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.236 0.154 25574 549 1 6 . 1 1 19 19 TYR H H 19 7.406 7.406 7.458 -0.052 25574 550 1 6 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.197 1.279 25574 551 1 6 . 1 1 20 20 GLY H H 20 7.960 7.960 7.526 0.434 25574 552 1 6 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.522 -0.455 25574 553 1 6 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.157 1.940 25574 554 1 6 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.027 3.243 25574 555 1 6 . 1 1 21 21 TYR H H 21 7.518 7.518 7.520 -0.002 25574 556 1 6 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.545 0.019 25574 557 1 6 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.672 -4.598 25574 558 1 6 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.327 15.819 25574 559 1 6 . 1 1 22 22 CYS H H 22 8.725 8.725 8.935 -0.210 25574 560 1 6 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.210 -0.202 25574 561 1 6 . 1 1 23 23 GLY H H 23 8.751 8.751 8.824 -0.073 25574 562 1 6 . 1 1 24 24 SER HA H 24 5.091 5.091 4.673 0.418 25574 563 1 6 . 1 1 24 24 SER CA C 24 56.600 56.600 56.499 0.101 25574 564 1 6 . 1 1 24 24 SER CB C 24 65.722 65.722 64.280 1.442 25574 565 1 6 . 1 1 24 24 SER H H 24 7.967 7.967 7.987 -0.020 25574 566 1 6 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.448 0.272 25574 567 1 6 . 1 1 25 25 GLY H H 25 8.271 8.271 8.331 -0.060 25574 568 1 6 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.450 -0.160 25574 569 1 6 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.898 0.383 25574 570 1 6 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.923 -0.019 25574 571 1 6 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.329 -0.221 25574 572 1 6 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.621 0.122 25574 573 1 6 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.521 -0.582 25574 574 1 6 . 1 1 27 27 ALA H H 27 8.685 8.685 8.493 0.192 25574 575 1 6 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.727 -0.608 25574 576 1 6 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.821 -8.057 25574 577 1 6 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.218 0.946 25574 578 1 6 . 1 1 28 28 TYR H H 28 7.708 7.708 7.548 0.160 25574 579 1 6 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.596 -0.075 25574 580 1 6 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.636 -4.654 25574 581 1 6 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.711 14.347 25574 582 1 6 . 1 1 29 29 CYS H H 29 8.470 8.470 8.243 0.227 25574 583 1 7 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.538 -0.341 25574 584 1 7 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.248 -0.083 25574 585 1 7 . 1 1 2 2 ALA CB C 2 19.023 19.023 20.057 -1.034 25574 586 1 7 . 1 1 2 2 ALA H H 2 8.200 8.200 8.482 -0.282 25574 587 1 7 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.720 0.113 25574 588 1 7 . 1 1 3 3 GLY H H 3 8.540 8.540 8.022 0.518 25574 589 1 7 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.831 -0.389 25574 590 1 7 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.434 0.392 25574 591 1 7 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.241 0.077 25574 592 1 7 . 1 1 4 4 GLN H H 4 8.298 8.298 8.477 -0.179 25574 593 1 7 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.638 -0.260 25574 594 1 7 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.062 -4.213 25574 595 1 7 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.673 13.723 25574 596 1 7 . 1 1 5 5 CYS H H 5 7.699 7.699 8.420 -0.721 25574 597 1 7 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.576 0.137 25574 598 1 7 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.362 -0.265 25574 599 1 7 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.575 -0.662 25574 600 1 7 . 1 1 6 6 TYR H H 6 8.716 8.716 8.874 -0.158 25574 601 1 7 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.841 -0.200 25574 602 1 7 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.744 -0.114 25574 603 1 7 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.652 -1.097 25574 604 1 7 . 1 1 7 7 ARG H H 7 9.072 9.072 9.099 -0.027 25574 605 1 7 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.816 0.411 25574 606 1 7 . 1 1 8 8 GLY H H 8 8.249 8.249 8.483 -0.234 25574 607 1 7 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.727 -0.014 25574 608 1 7 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.318 -0.454 25574 609 1 7 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.372 -0.112 25574 610 1 7 . 1 1 9 9 ARG H H 9 7.816 7.816 7.565 0.251 25574 611 1 7 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.900 0.086 25574 612 1 7 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.733 -3.267 25574 613 1 7 . 1 1 10 10 CYS CB C 10 46.281 46.281 31.627 14.654 25574 614 1 7 . 1 1 10 10 CYS H H 10 8.618 8.618 8.714 -0.096 25574 615 1 7 . 1 1 11 11 SER HA H 11 4.597 4.597 4.539 0.058 25574 616 1 7 . 1 1 11 11 SER CA C 11 57.879 57.879 57.882 -0.003 25574 617 1 7 . 1 1 11 11 SER CB C 11 64.063 64.063 64.001 0.062 25574 618 1 7 . 1 1 11 11 SER H H 11 8.610 8.610 8.745 -0.135 25574 619 1 7 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.492 1.152 25574 620 1 7 . 1 1 12 12 GLY H H 12 8.618 8.618 8.801 -0.183 25574 621 1 7 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.645 -0.659 25574 622 1 7 . 1 1 13 13 GLY H H 13 8.620 8.620 8.252 0.368 25574 623 1 7 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.282 0.001 25574 624 1 7 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.469 -1.163 25574 625 1 7 . 1 1 14 14 LEU CB C 14 42.029 42.029 42.949 -0.920 25574 626 1 7 . 1 1 14 14 LEU H H 14 7.063 7.063 7.589 -0.526 25574 627 1 7 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.722 -0.280 25574 628 1 7 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.766 -4.714 25574 629 1 7 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.920 20.389 25574 630 1 7 . 1 1 15 15 CYS H H 15 9.046 9.046 8.509 0.537 25574 631 1 7 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.784 0.016 25574 632 1 7 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.117 -2.282 25574 633 1 7 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.326 14.958 25574 634 1 7 . 1 1 16 16 CYS H H 16 8.685 8.685 8.701 -0.016 25574 635 1 7 . 1 1 17 17 SER HA H 17 4.892 4.892 4.371 0.521 25574 636 1 7 . 1 1 17 17 SER CA C 17 57.178 57.178 57.823 -0.645 25574 637 1 7 . 1 1 17 17 SER CB C 17 66.501 66.501 64.913 1.587 25574 638 1 7 . 1 1 17 17 SER H H 17 9.830 9.830 8.675 1.155 25574 639 1 7 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.162 -0.141 25574 640 1 7 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.062 -0.209 25574 641 1 7 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.264 -0.941 25574 642 1 7 . 1 1 18 18 LYS H H 18 8.916 8.916 8.911 0.005 25574 643 1 7 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.624 0.003 25574 644 1 7 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.308 -1.442 25574 645 1 7 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.949 -0.559 25574 646 1 7 . 1 1 19 19 TYR H H 19 7.406 7.406 7.734 -0.328 25574 647 1 7 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.444 1.032 25574 648 1 7 . 1 1 20 20 GLY H H 20 7.960 7.960 7.822 0.138 25574 649 1 7 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.511 -0.444 25574 650 1 7 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.332 0.765 25574 651 1 7 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.666 2.604 25574 652 1 7 . 1 1 21 21 TYR H H 21 7.518 7.518 7.909 -0.391 25574 653 1 7 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.446 0.118 25574 654 1 7 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.539 -4.465 25574 655 1 7 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.614 15.532 25574 656 1 7 . 1 1 22 22 CYS H H 22 8.725 8.725 8.978 -0.253 25574 657 1 7 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.590 -0.582 25574 658 1 7 . 1 1 23 23 GLY H H 23 8.751 8.751 8.991 -0.240 25574 659 1 7 . 1 1 24 24 SER HA H 24 5.091 5.091 4.725 0.366 25574 660 1 7 . 1 1 24 24 SER CA C 24 56.600 56.600 56.166 0.434 25574 661 1 7 . 1 1 24 24 SER CB C 24 65.722 65.722 64.648 1.074 25574 662 1 7 . 1 1 24 24 SER H H 24 7.967 7.967 7.950 0.017 25574 663 1 7 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.442 0.278 25574 664 1 7 . 1 1 25 25 GLY H H 25 8.271 8.271 8.234 0.037 25574 665 1 7 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.453 -0.163 25574 666 1 7 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.917 0.365 25574 667 1 7 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.932 -0.028 25574 668 1 7 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.331 -0.223 25574 669 1 7 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.630 0.112 25574 670 1 7 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.527 -0.588 25574 671 1 7 . 1 1 27 27 ALA H H 27 8.685 8.685 8.507 0.178 25574 672 1 7 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.735 -0.616 25574 673 1 7 . 1 1 28 28 TYR CA C 28 51.764 51.764 60.001 -8.237 25574 674 1 7 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.206 0.958 25574 675 1 7 . 1 1 28 28 TYR H H 28 7.708 7.708 7.553 0.155 25574 676 1 7 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.577 -0.056 25574 677 1 7 . 1 1 29 29 CYS CA C 29 54.982 54.982 60.020 -5.037 25574 678 1 7 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.800 14.258 25574 679 1 7 . 1 1 29 29 CYS H H 29 8.470 8.470 8.212 0.258 25574 680 1 8 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.949 -0.752 25574 681 1 8 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.486 -1.321 25574 682 1 8 . 1 1 2 2 ALA CB C 2 19.023 19.023 20.044 -1.020 25574 683 1 8 . 1 1 2 2 ALA H H 2 8.200 8.200 10.417 -2.217 25574 684 1 8 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.782 0.051 25574 685 1 8 . 1 1 3 3 GLY H H 3 8.540 8.540 8.146 0.394 25574 686 1 8 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.765 -0.323 25574 687 1 8 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.158 0.668 25574 688 1 8 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.522 -0.204 25574 689 1 8 . 1 1 4 4 GLN H H 4 8.298 8.298 8.257 0.041 25574 690 1 8 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.224 0.154 25574 691 1 8 . 1 1 5 5 CYS CA C 5 54.848 54.848 58.703 -3.854 25574 692 1 8 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.743 13.653 25574 693 1 8 . 1 1 5 5 CYS H H 5 7.699 7.699 8.188 -0.489 25574 694 1 8 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.618 0.095 25574 695 1 8 . 1 1 6 6 TYR CA C 6 57.097 57.097 56.627 0.470 25574 696 1 8 . 1 1 6 6 TYR CB C 6 38.913 38.913 38.608 0.305 25574 697 1 8 . 1 1 6 6 TYR H H 6 8.716 8.716 8.326 0.390 25574 698 1 8 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.985 -0.344 25574 699 1 8 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.880 -0.251 25574 700 1 8 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.265 -0.710 25574 701 1 8 . 1 1 7 7 ARG H H 7 9.072 9.072 9.251 -0.179 25574 702 1 8 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.758 0.470 25574 703 1 8 . 1 1 8 8 GLY H H 8 8.249 8.249 8.560 -0.311 25574 704 1 8 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.766 -0.053 25574 705 1 8 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.360 0.504 25574 706 1 8 . 1 1 9 9 ARG CB C 9 33.260 33.260 30.204 3.055 25574 707 1 8 . 1 1 9 9 ARG H H 9 7.816 7.816 7.450 0.366 25574 708 1 8 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.623 0.363 25574 709 1 8 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.193 -3.727 25574 710 1 8 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.543 16.738 25574 711 1 8 . 1 1 10 10 CYS H H 10 8.618 8.618 8.740 -0.122 25574 712 1 8 . 1 1 11 11 SER HA H 11 4.597 4.597 4.500 0.097 25574 713 1 8 . 1 1 11 11 SER CA C 11 57.879 57.879 59.158 -1.279 25574 714 1 8 . 1 1 11 11 SER CB C 11 64.063 64.063 63.615 0.448 25574 715 1 8 . 1 1 11 11 SER H H 11 8.610 8.610 8.564 0.046 25574 716 1 8 . 1 1 12 12 GLY CA C 12 46.644 46.644 46.558 0.086 25574 717 1 8 . 1 1 12 12 GLY H H 12 8.618 8.618 8.810 -0.192 25574 718 1 8 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.387 0.599 25574 719 1 8 . 1 1 13 13 GLY H H 13 8.620 8.620 8.277 0.343 25574 720 1 8 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.381 -0.098 25574 721 1 8 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.142 -0.836 25574 722 1 8 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.434 -1.405 25574 723 1 8 . 1 1 14 14 LEU H H 14 7.063 7.063 7.892 -0.829 25574 724 1 8 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.767 -0.325 25574 725 1 8 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.393 -4.341 25574 726 1 8 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.612 20.697 25574 727 1 8 . 1 1 15 15 CYS H H 15 9.046 9.046 8.469 0.577 25574 728 1 8 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.798 0.002 25574 729 1 8 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.108 -2.273 25574 730 1 8 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.451 14.833 25574 731 1 8 . 1 1 16 16 CYS H H 16 8.685 8.685 8.687 -0.002 25574 732 1 8 . 1 1 17 17 SER HA H 17 4.892 4.892 4.365 0.527 25574 733 1 8 . 1 1 17 17 SER CA C 17 57.178 57.178 57.792 -0.614 25574 734 1 8 . 1 1 17 17 SER CB C 17 66.501 66.501 64.907 1.594 25574 735 1 8 . 1 1 17 17 SER H H 17 9.830 9.830 8.665 1.165 25574 736 1 8 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.141 -0.120 25574 737 1 8 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.029 -0.176 25574 738 1 8 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.227 -0.904 25574 739 1 8 . 1 1 18 18 LYS H H 18 8.916 8.916 8.885 0.031 25574 740 1 8 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.602 0.025 25574 741 1 8 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.320 -1.454 25574 742 1 8 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.968 -0.578 25574 743 1 8 . 1 1 19 19 TYR H H 19 7.406 7.406 7.698 -0.292 25574 744 1 8 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.408 1.068 25574 745 1 8 . 1 1 20 20 GLY H H 20 7.960 7.960 7.794 0.166 25574 746 1 8 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.379 -0.312 25574 747 1 8 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.375 0.722 25574 748 1 8 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.545 2.725 25574 749 1 8 . 1 1 21 21 TYR H H 21 7.518 7.518 7.880 -0.362 25574 750 1 8 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.408 0.156 25574 751 1 8 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.521 -4.447 25574 752 1 8 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.632 15.514 25574 753 1 8 . 1 1 22 22 CYS H H 22 8.725 8.725 9.016 -0.291 25574 754 1 8 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.565 -0.557 25574 755 1 8 . 1 1 23 23 GLY H H 23 8.751 8.751 8.966 -0.215 25574 756 1 8 . 1 1 24 24 SER HA H 24 5.091 5.091 4.719 0.372 25574 757 1 8 . 1 1 24 24 SER CA C 24 56.600 56.600 56.158 0.442 25574 758 1 8 . 1 1 24 24 SER CB C 24 65.722 65.722 64.663 1.059 25574 759 1 8 . 1 1 24 24 SER H H 24 7.967 7.967 7.940 0.027 25574 760 1 8 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.444 0.276 25574 761 1 8 . 1 1 25 25 GLY H H 25 8.271 8.271 8.233 0.038 25574 762 1 8 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.450 -0.160 25574 763 1 8 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.891 0.391 25574 764 1 8 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.919 -0.015 25574 765 1 8 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.325 -0.217 25574 766 1 8 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.638 0.105 25574 767 1 8 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.514 -0.575 25574 768 1 8 . 1 1 27 27 ALA H H 27 8.685 8.685 8.488 0.197 25574 769 1 8 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.728 -0.609 25574 770 1 8 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.979 -8.215 25574 771 1 8 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.226 0.938 25574 772 1 8 . 1 1 28 28 TYR H H 28 7.708 7.708 7.548 0.160 25574 773 1 8 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.605 -0.084 25574 774 1 8 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.647 -4.665 25574 775 1 8 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.691 14.367 25574 776 1 8 . 1 1 29 29 CYS H H 29 8.470 8.470 8.256 0.214 25574 777 1 9 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.464 -0.267 25574 778 1 9 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.010 -0.845 25574 779 1 9 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.472 -0.449 25574 780 1 9 . 1 1 2 2 ALA H H 2 8.200 8.200 8.561 -0.361 25574 781 1 9 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.961 -0.128 25574 782 1 9 . 1 1 3 3 GLY H H 3 8.540 8.540 8.123 0.417 25574 783 1 9 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.592 -0.150 25574 784 1 9 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.614 0.212 25574 785 1 9 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.898 -0.580 25574 786 1 9 . 1 1 4 4 GLN H H 4 8.298 8.298 8.419 -0.121 25574 787 1 9 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.658 -0.280 25574 788 1 9 . 1 1 5 5 CYS CA C 5 54.848 54.848 58.629 -3.781 25574 789 1 9 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.954 13.442 25574 790 1 9 . 1 1 5 5 CYS H H 5 7.699 7.699 8.314 -0.615 25574 791 1 9 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.624 0.089 25574 792 1 9 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.230 -0.133 25574 793 1 9 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.799 -0.886 25574 794 1 9 . 1 1 6 6 TYR H H 6 8.716 8.716 8.526 0.190 25574 795 1 9 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.771 -0.130 25574 796 1 9 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.797 -0.167 25574 797 1 9 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.144 -0.589 25574 798 1 9 . 1 1 7 7 ARG H H 7 9.072 9.072 8.974 0.098 25574 799 1 9 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.960 0.267 25574 800 1 9 . 1 1 8 8 GLY H H 8 8.249 8.249 8.463 -0.214 25574 801 1 9 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.643 0.070 25574 802 1 9 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.521 -0.657 25574 803 1 9 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.081 0.179 25574 804 1 9 . 1 1 9 9 ARG H H 9 7.816 7.816 7.549 0.267 25574 805 1 9 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.834 0.152 25574 806 1 9 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.837 -4.371 25574 807 1 9 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.184 17.097 25574 808 1 9 . 1 1 10 10 CYS H H 10 8.618 8.618 8.983 -0.365 25574 809 1 9 . 1 1 11 11 SER HA H 11 4.597 4.597 4.532 0.065 25574 810 1 9 . 1 1 11 11 SER CA C 11 57.879 57.879 57.971 -0.092 25574 811 1 9 . 1 1 11 11 SER CB C 11 64.063 64.063 64.110 -0.047 25574 812 1 9 . 1 1 11 11 SER H H 11 8.610 8.610 8.715 -0.105 25574 813 1 9 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.608 1.036 25574 814 1 9 . 1 1 12 12 GLY H H 12 8.618 8.618 8.653 -0.035 25574 815 1 9 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.506 -0.520 25574 816 1 9 . 1 1 13 13 GLY H H 13 8.620 8.620 8.294 0.326 25574 817 1 9 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.276 0.007 25574 818 1 9 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.515 -1.209 25574 819 1 9 . 1 1 14 14 LEU CB C 14 42.029 42.029 42.976 -0.947 25574 820 1 9 . 1 1 14 14 LEU H H 14 7.063 7.063 7.562 -0.499 25574 821 1 9 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.771 -0.329 25574 822 1 9 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.468 -4.417 25574 823 1 9 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.396 20.913 25574 824 1 9 . 1 1 15 15 CYS H H 15 9.046 9.046 8.487 0.559 25574 825 1 9 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.749 0.051 25574 826 1 9 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.056 -2.221 25574 827 1 9 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.236 15.048 25574 828 1 9 . 1 1 16 16 CYS H H 16 8.685 8.685 8.708 -0.023 25574 829 1 9 . 1 1 17 17 SER HA H 17 4.892 4.892 4.413 0.479 25574 830 1 9 . 1 1 17 17 SER CA C 17 57.178 57.178 57.883 -0.705 25574 831 1 9 . 1 1 17 17 SER CB C 17 66.501 66.501 64.973 1.528 25574 832 1 9 . 1 1 17 17 SER H H 17 9.830 9.830 8.646 1.184 25574 833 1 9 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.134 -0.113 25574 834 1 9 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.370 -0.517 25574 835 1 9 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.064 -0.741 25574 836 1 9 . 1 1 18 18 LYS H H 18 8.916 8.916 8.835 0.081 25574 837 1 9 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.580 0.047 25574 838 1 9 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.005 -1.139 25574 839 1 9 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.642 -0.253 25574 840 1 9 . 1 1 19 19 TYR H H 19 7.406 7.406 7.557 -0.151 25574 841 1 9 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.391 1.085 25574 842 1 9 . 1 1 20 20 GLY H H 20 7.960 7.960 7.752 0.208 25574 843 1 9 . 1 1 21 21 TYR HA H 21 5.067 5.067 4.926 0.141 25574 844 1 9 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.744 0.353 25574 845 1 9 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.733 2.538 25574 846 1 9 . 1 1 21 21 TYR H H 21 7.518 7.518 7.914 -0.396 25574 847 1 9 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.563 0.001 25574 848 1 9 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.661 -4.587 25574 849 1 9 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.276 15.870 25574 850 1 9 . 1 1 22 22 CYS H H 22 8.725 8.725 8.692 0.033 25574 851 1 9 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.394 -0.386 25574 852 1 9 . 1 1 23 23 GLY H H 23 8.751 8.751 8.872 -0.121 25574 853 1 9 . 1 1 24 24 SER HA H 24 5.091 5.091 4.707 0.384 25574 854 1 9 . 1 1 24 24 SER CA C 24 56.600 56.600 56.310 0.290 25574 855 1 9 . 1 1 24 24 SER CB C 24 65.722 65.722 64.283 1.439 25574 856 1 9 . 1 1 24 24 SER H H 24 7.967 7.967 8.002 -0.035 25574 857 1 9 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.448 0.272 25574 858 1 9 . 1 1 25 25 GLY H H 25 8.271 8.271 8.335 -0.064 25574 859 1 9 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.454 -0.164 25574 860 1 9 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.906 0.376 25574 861 1 9 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.930 -0.026 25574 862 1 9 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.331 -0.223 25574 863 1 9 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.609 0.134 25574 864 1 9 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.525 -0.586 25574 865 1 9 . 1 1 27 27 ALA H H 27 8.685 8.685 8.494 0.191 25574 866 1 9 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.741 -0.622 25574 867 1 9 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.809 -8.045 25574 868 1 9 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.222 0.942 25574 869 1 9 . 1 1 28 28 TYR H H 28 7.708 7.708 7.555 0.153 25574 870 1 9 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.613 -0.092 25574 871 1 9 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.614 -4.632 25574 872 1 9 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.728 14.330 25574 873 1 9 . 1 1 29 29 CYS H H 29 8.470 8.470 8.251 0.219 25574 874 1 10 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.221 -0.024 25574 875 1 10 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.419 -0.254 25574 876 1 10 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.046 -0.023 25574 877 1 10 . 1 1 2 2 ALA H H 2 8.200 8.200 8.123 0.077 25574 878 1 10 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.438 0.395 25574 879 1 10 . 1 1 3 3 GLY H H 3 8.540 8.540 7.698 0.842 25574 880 1 10 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.183 -0.741 25574 881 1 10 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.199 0.627 25574 882 1 10 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.342 -0.024 25574 883 1 10 . 1 1 4 4 GLN H H 4 8.298 8.298 8.391 -0.093 25574 884 1 10 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.589 -0.211 25574 885 1 10 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.840 -4.992 25574 886 1 10 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.149 14.247 25574 887 1 10 . 1 1 5 5 CYS H H 5 7.699 7.699 8.500 -0.801 25574 888 1 10 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.589 0.124 25574 889 1 10 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.953 -0.855 25574 890 1 10 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.872 -0.959 25574 891 1 10 . 1 1 6 6 TYR H H 6 8.716 8.716 8.899 -0.183 25574 892 1 10 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.808 -0.167 25574 893 1 10 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.640 -0.010 25574 894 1 10 . 1 1 7 7 ARG CB C 7 27.555 27.555 27.579 -0.024 25574 895 1 10 . 1 1 7 7 ARG H H 7 9.072 9.072 9.101 -0.029 25574 896 1 10 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.044 0.183 25574 897 1 10 . 1 1 8 8 GLY H H 8 8.249 8.249 8.426 -0.177 25574 898 1 10 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.675 0.038 25574 899 1 10 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.303 -0.439 25574 900 1 10 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.383 -0.123 25574 901 1 10 . 1 1 9 9 ARG H H 9 7.816 7.816 7.966 -0.150 25574 902 1 10 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.882 0.104 25574 903 1 10 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.011 -3.545 25574 904 1 10 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.514 16.767 25574 905 1 10 . 1 1 10 10 CYS H H 10 8.618 8.618 8.810 -0.192 25574 906 1 10 . 1 1 11 11 SER HA H 11 4.597 4.597 4.434 0.163 25574 907 1 10 . 1 1 11 11 SER CA C 11 57.879 57.879 59.150 -1.271 25574 908 1 10 . 1 1 11 11 SER CB C 11 64.063 64.063 63.878 0.185 25574 909 1 10 . 1 1 11 11 SER H H 11 8.610 8.610 8.614 -0.004 25574 910 1 10 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.894 0.750 25574 911 1 10 . 1 1 12 12 GLY H H 12 8.618 8.618 8.800 -0.182 25574 912 1 10 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.805 0.181 25574 913 1 10 . 1 1 13 13 GLY H H 13 8.620 8.620 8.048 0.572 25574 914 1 10 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.635 -0.352 25574 915 1 10 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.852 0.454 25574 916 1 10 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.380 -2.351 25574 917 1 10 . 1 1 14 14 LEU H H 14 7.063 7.063 8.030 -0.967 25574 918 1 10 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.803 -0.361 25574 919 1 10 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.272 -4.220 25574 920 1 10 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.371 19.938 25574 921 1 10 . 1 1 15 15 CYS H H 15 9.046 9.046 8.599 0.447 25574 922 1 10 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.802 -0.002 25574 923 1 10 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.080 -2.245 25574 924 1 10 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.372 14.912 25574 925 1 10 . 1 1 16 16 CYS H H 16 8.685 8.685 8.685 0.000 25574 926 1 10 . 1 1 17 17 SER HA H 17 4.892 4.892 4.348 0.544 25574 927 1 10 . 1 1 17 17 SER CA C 17 57.178 57.178 57.770 -0.592 25574 928 1 10 . 1 1 17 17 SER CB C 17 66.501 66.501 64.903 1.598 25574 929 1 10 . 1 1 17 17 SER H H 17 9.830 9.830 8.668 1.162 25574 930 1 10 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.080 -0.059 25574 931 1 10 . 1 1 18 18 LYS CA C 18 57.853 57.853 57.956 -0.103 25574 932 1 10 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.161 -0.838 25574 933 1 10 . 1 1 18 18 LYS H H 18 8.916 8.916 8.833 0.083 25574 934 1 10 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.397 0.230 25574 935 1 10 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.980 -1.114 25574 936 1 10 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.645 -0.255 25574 937 1 10 . 1 1 19 19 TYR H H 19 7.406 7.406 7.545 -0.139 25574 938 1 10 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.313 1.163 25574 939 1 10 . 1 1 20 20 GLY H H 20 7.960 7.960 7.645 0.315 25574 940 1 10 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.605 -0.538 25574 941 1 10 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.123 1.974 25574 942 1 10 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.176 3.094 25574 943 1 10 . 1 1 21 21 TYR H H 21 7.518 7.518 7.573 -0.055 25574 944 1 10 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.561 0.003 25574 945 1 10 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.857 -4.783 25574 946 1 10 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.655 15.491 25574 947 1 10 . 1 1 22 22 CYS H H 22 8.725 8.725 8.902 -0.177 25574 948 1 10 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.346 -0.339 25574 949 1 10 . 1 1 23 23 GLY H H 23 8.751 8.751 8.684 0.067 25574 950 1 10 . 1 1 24 24 SER HA H 24 5.091 5.091 4.724 0.367 25574 951 1 10 . 1 1 24 24 SER CA C 24 56.600 56.600 56.091 0.509 25574 952 1 10 . 1 1 24 24 SER CB C 24 65.722 65.722 64.803 0.919 25574 953 1 10 . 1 1 24 24 SER H H 24 7.967 7.967 7.954 0.013 25574 954 1 10 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.464 0.256 25574 955 1 10 . 1 1 25 25 GLY H H 25 8.271 8.271 8.217 0.054 25574 956 1 10 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.453 -0.163 25574 957 1 10 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.917 0.365 25574 958 1 10 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.928 -0.024 25574 959 1 10 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.330 -0.222 25574 960 1 10 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.647 0.096 25574 961 1 10 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.534 -0.595 25574 962 1 10 . 1 1 27 27 ALA H H 27 8.685 8.685 8.518 0.167 25574 963 1 10 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.733 -0.614 25574 964 1 10 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.981 -8.217 25574 965 1 10 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.249 0.915 25574 966 1 10 . 1 1 28 28 TYR H H 28 7.708 7.708 7.555 0.153 25574 967 1 10 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.577 -0.056 25574 968 1 10 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.997 -5.015 25574 969 1 10 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.780 14.278 25574 970 1 10 . 1 1 29 29 CYS H H 29 8.470 8.470 8.220 0.250 25574 971 1 11 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.402 -0.205 25574 972 1 11 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.066 0.099 25574 973 1 11 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.081 -0.058 25574 974 1 11 . 1 1 2 2 ALA H H 2 8.200 8.200 8.652 -0.452 25574 975 1 11 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.513 0.320 25574 976 1 11 . 1 1 3 3 GLY H H 3 8.540 8.540 7.691 0.849 25574 977 1 11 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.166 -0.724 25574 978 1 11 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.616 0.210 25574 979 1 11 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.612 -0.294 25574 980 1 11 . 1 1 4 4 GLN H H 4 8.298 8.298 8.626 -0.328 25574 981 1 11 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.578 -0.200 25574 982 1 11 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.526 -4.678 25574 983 1 11 . 1 1 5 5 CYS CB C 5 41.396 41.396 26.869 14.527 25574 984 1 11 . 1 1 5 5 CYS H H 5 7.699 7.699 8.496 -0.797 25574 985 1 11 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.578 0.135 25574 986 1 11 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.483 -0.386 25574 987 1 11 . 1 1 6 6 TYR CB C 6 38.913 38.913 40.097 -1.184 25574 988 1 11 . 1 1 6 6 TYR H H 6 8.716 8.716 8.962 -0.246 25574 989 1 11 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.866 -0.225 25574 990 1 11 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.959 -0.329 25574 991 1 11 . 1 1 7 7 ARG CB C 7 27.555 27.555 29.235 -1.679 25574 992 1 11 . 1 1 7 7 ARG H H 7 9.072 9.072 8.872 0.200 25574 993 1 11 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.209 0.018 25574 994 1 11 . 1 1 8 8 GLY H H 8 8.249 8.249 8.366 -0.117 25574 995 1 11 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.676 0.037 25574 996 1 11 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.340 -0.476 25574 997 1 11 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.212 0.048 25574 998 1 11 . 1 1 9 9 ARG H H 9 7.816 7.816 8.002 -0.186 25574 999 1 11 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.897 0.089 25574 1000 1 11 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.871 -3.405 25574 1001 1 11 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.976 16.305 25574 1002 1 11 . 1 1 10 10 CYS H H 10 8.618 8.618 8.759 -0.141 25574 1003 1 11 . 1 1 11 11 SER HA H 11 4.597 4.597 4.404 0.193 25574 1004 1 11 . 1 1 11 11 SER CA C 11 57.879 57.879 59.090 -1.212 25574 1005 1 11 . 1 1 11 11 SER CB C 11 64.063 64.063 64.010 0.053 25574 1006 1 11 . 1 1 11 11 SER H H 11 8.610 8.610 8.648 -0.038 25574 1007 1 11 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.978 0.666 25574 1008 1 11 . 1 1 12 12 GLY H H 12 8.618 8.618 8.771 -0.153 25574 1009 1 11 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.803 0.183 25574 1010 1 11 . 1 1 13 13 GLY H H 13 8.620 8.620 8.047 0.573 25574 1011 1 11 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.645 -0.362 25574 1012 1 11 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.841 0.465 25574 1013 1 11 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.389 -2.360 25574 1014 1 11 . 1 1 14 14 LEU H H 14 7.063 7.063 8.031 -0.968 25574 1015 1 11 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.802 -0.360 25574 1016 1 11 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.274 -4.222 25574 1017 1 11 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.361 19.948 25574 1018 1 11 . 1 1 15 15 CYS H H 15 9.046 9.046 8.600 0.446 25574 1019 1 11 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.790 0.010 25574 1020 1 11 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.095 -2.260 25574 1021 1 11 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.345 14.939 25574 1022 1 11 . 1 1 16 16 CYS H H 16 8.685 8.685 8.683 0.002 25574 1023 1 11 . 1 1 17 17 SER HA H 17 4.892 4.892 4.356 0.536 25574 1024 1 11 . 1 1 17 17 SER CA C 17 57.178 57.178 57.796 -0.618 25574 1025 1 11 . 1 1 17 17 SER CB C 17 66.501 66.501 64.876 1.625 25574 1026 1 11 . 1 1 17 17 SER H H 17 9.830 9.830 8.654 1.176 25574 1027 1 11 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.104 -0.083 25574 1028 1 11 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.041 -0.188 25574 1029 1 11 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.283 -0.960 25574 1030 1 11 . 1 1 18 18 LYS H H 18 8.916 8.916 8.871 0.045 25574 1031 1 11 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.392 0.235 25574 1032 1 11 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.020 -1.154 25574 1033 1 11 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.699 -0.309 25574 1034 1 11 . 1 1 19 19 TYR H H 19 7.406 7.406 7.571 -0.165 25574 1035 1 11 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.298 1.178 25574 1036 1 11 . 1 1 20 20 GLY H H 20 7.960 7.960 7.648 0.312 25574 1037 1 11 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.598 -0.531 25574 1038 1 11 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.216 1.881 25574 1039 1 11 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.219 3.051 25574 1040 1 11 . 1 1 21 21 TYR H H 21 7.518 7.518 7.577 -0.059 25574 1041 1 11 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.526 0.038 25574 1042 1 11 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.614 -4.540 25574 1043 1 11 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.574 15.572 25574 1044 1 11 . 1 1 22 22 CYS H H 22 8.725 8.725 8.876 -0.151 25574 1045 1 11 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.367 -0.359 25574 1046 1 11 . 1 1 23 23 GLY H H 23 8.751 8.751 8.818 -0.067 25574 1047 1 11 . 1 1 24 24 SER HA H 24 5.091 5.091 4.721 0.370 25574 1048 1 11 . 1 1 24 24 SER CA C 24 56.600 56.600 56.031 0.570 25574 1049 1 11 . 1 1 24 24 SER CB C 24 65.722 65.722 64.849 0.873 25574 1050 1 11 . 1 1 24 24 SER H H 24 7.967 7.967 7.949 0.018 25574 1051 1 11 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.468 0.252 25574 1052 1 11 . 1 1 25 25 GLY H H 25 8.271 8.271 8.204 0.067 25574 1053 1 11 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.454 -0.164 25574 1054 1 11 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.917 0.365 25574 1055 1 11 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.927 -0.023 25574 1056 1 11 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.332 -0.224 25574 1057 1 11 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.654 0.089 25574 1058 1 11 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.532 -0.593 25574 1059 1 11 . 1 1 27 27 ALA H H 27 8.685 8.685 8.517 0.168 25574 1060 1 11 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.735 -0.616 25574 1061 1 11 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.983 -8.219 25574 1062 1 11 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.241 0.923 25574 1063 1 11 . 1 1 28 28 TYR H H 28 7.708 7.708 7.555 0.153 25574 1064 1 11 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.579 -0.058 25574 1065 1 11 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.986 -5.003 25574 1066 1 11 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.773 14.285 25574 1067 1 11 . 1 1 29 29 CYS H H 29 8.470 8.470 8.218 0.252 25574 1068 1 12 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.401 -0.204 25574 1069 1 12 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.427 -0.262 25574 1070 1 12 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.301 -0.278 25574 1071 1 12 . 1 1 2 2 ALA H H 2 8.200 8.200 8.574 -0.374 25574 1072 1 12 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.361 0.472 25574 1073 1 12 . 1 1 3 3 GLY H H 3 8.540 8.540 8.003 0.537 25574 1074 1 12 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.674 -0.232 25574 1075 1 12 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.655 0.171 25574 1076 1 12 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.096 0.222 25574 1077 1 12 . 1 1 4 4 GLN H H 4 8.298 8.298 8.242 0.056 25574 1078 1 12 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.254 0.124 25574 1079 1 12 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.468 -4.620 25574 1080 1 12 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.172 14.224 25574 1081 1 12 . 1 1 5 5 CYS H H 5 7.699 7.699 8.255 -0.556 25574 1082 1 12 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.590 0.123 25574 1083 1 12 . 1 1 6 6 TYR CA C 6 57.097 57.097 56.116 0.981 25574 1084 1 12 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.028 -0.115 25574 1085 1 12 . 1 1 6 6 TYR H H 6 8.716 8.716 8.706 0.010 25574 1086 1 12 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.969 -0.328 25574 1087 1 12 . 1 1 7 7 ARG CA C 7 56.630 56.630 57.093 -0.463 25574 1088 1 12 . 1 1 7 7 ARG CB C 7 27.555 27.555 29.138 -1.583 25574 1089 1 12 . 1 1 7 7 ARG H H 7 9.072 9.072 9.315 -0.243 25574 1090 1 12 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.181 0.046 25574 1091 1 12 . 1 1 8 8 GLY H H 8 8.249 8.249 8.408 -0.159 25574 1092 1 12 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.658 0.055 25574 1093 1 12 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.333 -0.469 25574 1094 1 12 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.394 -0.134 25574 1095 1 12 . 1 1 9 9 ARG H H 9 7.816 7.816 7.963 -0.146 25574 1096 1 12 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.804 0.182 25574 1097 1 12 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.075 -3.609 25574 1098 1 12 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.408 16.873 25574 1099 1 12 . 1 1 10 10 CYS H H 10 8.618 8.618 8.770 -0.152 25574 1100 1 12 . 1 1 11 11 SER HA H 11 4.597 4.597 4.471 0.126 25574 1101 1 12 . 1 1 11 11 SER CA C 11 57.879 57.879 58.810 -0.931 25574 1102 1 12 . 1 1 11 11 SER CB C 11 64.063 64.063 64.094 -0.031 25574 1103 1 12 . 1 1 11 11 SER H H 11 8.610 8.610 8.637 -0.027 25574 1104 1 12 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.971 0.673 25574 1105 1 12 . 1 1 12 12 GLY H H 12 8.618 8.618 8.839 -0.221 25574 1106 1 12 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.787 0.199 25574 1107 1 12 . 1 1 13 13 GLY H H 13 8.620 8.620 8.084 0.536 25574 1108 1 12 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.581 -0.298 25574 1109 1 12 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.862 0.444 25574 1110 1 12 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.317 -2.288 25574 1111 1 12 . 1 1 14 14 LEU H H 14 7.063 7.063 8.019 -0.956 25574 1112 1 12 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.787 -0.345 25574 1113 1 12 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.258 -4.206 25574 1114 1 12 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.345 19.964 25574 1115 1 12 . 1 1 15 15 CYS H H 15 9.046 9.046 8.579 0.467 25574 1116 1 12 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.761 0.039 25574 1117 1 12 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.065 -2.230 25574 1118 1 12 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.352 14.932 25574 1119 1 12 . 1 1 16 16 CYS H H 16 8.685 8.685 8.666 0.019 25574 1120 1 12 . 1 1 17 17 SER HA H 17 4.892 4.892 4.422 0.470 25574 1121 1 12 . 1 1 17 17 SER CA C 17 57.178 57.178 57.733 -0.555 25574 1122 1 12 . 1 1 17 17 SER CB C 17 66.501 66.501 65.086 1.415 25574 1123 1 12 . 1 1 17 17 SER H H 17 9.830 9.830 8.671 1.159 25574 1124 1 12 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.160 -0.139 25574 1125 1 12 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.175 -0.322 25574 1126 1 12 . 1 1 18 18 LYS CB C 18 31.323 31.323 31.591 -0.268 25574 1127 1 12 . 1 1 18 18 LYS H H 18 8.916 8.916 8.729 0.187 25574 1128 1 12 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.577 0.050 25574 1129 1 12 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.381 -0.515 25574 1130 1 12 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.369 0.021 25574 1131 1 12 . 1 1 19 19 TYR H H 19 7.406 7.406 7.536 -0.130 25574 1132 1 12 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.300 1.176 25574 1133 1 12 . 1 1 20 20 GLY H H 20 7.960 7.960 7.731 0.229 25574 1134 1 12 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.495 -0.428 25574 1135 1 12 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.262 0.835 25574 1136 1 12 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.645 2.625 25574 1137 1 12 . 1 1 21 21 TYR H H 21 7.518 7.518 7.882 -0.364 25574 1138 1 12 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.455 0.109 25574 1139 1 12 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.554 -4.480 25574 1140 1 12 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.461 15.685 25574 1141 1 12 . 1 1 22 22 CYS H H 22 8.725 8.725 8.745 -0.020 25574 1142 1 12 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.262 -0.254 25574 1143 1 12 . 1 1 23 23 GLY H H 23 8.751 8.751 8.792 -0.041 25574 1144 1 12 . 1 1 24 24 SER HA H 24 5.091 5.091 4.712 0.379 25574 1145 1 12 . 1 1 24 24 SER CA C 24 56.600 56.600 56.165 0.435 25574 1146 1 12 . 1 1 24 24 SER CB C 24 65.722 65.722 64.490 1.232 25574 1147 1 12 . 1 1 24 24 SER H H 24 7.967 7.967 7.952 0.015 25574 1148 1 12 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.439 0.281 25574 1149 1 12 . 1 1 25 25 GLY H H 25 8.271 8.271 8.270 0.001 25574 1150 1 12 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.446 -0.156 25574 1151 1 12 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.894 0.388 25574 1152 1 12 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.914 -0.010 25574 1153 1 12 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.278 -0.170 25574 1154 1 12 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.538 0.204 25574 1155 1 12 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.478 -0.539 25574 1156 1 12 . 1 1 27 27 ALA H H 27 8.685 8.685 8.493 0.192 25574 1157 1 12 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.715 -0.596 25574 1158 1 12 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.983 -8.219 25574 1159 1 12 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.240 0.923 25574 1160 1 12 . 1 1 28 28 TYR H H 28 7.708 7.708 7.542 0.166 25574 1161 1 12 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.602 -0.081 25574 1162 1 12 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.617 -4.635 25574 1163 1 12 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.677 14.381 25574 1164 1 12 . 1 1 29 29 CYS H H 29 8.470 8.470 8.254 0.216 25574 1165 1 13 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.472 -0.275 25574 1166 1 13 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.100 -0.935 25574 1167 1 13 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.542 -0.519 25574 1168 1 13 . 1 1 2 2 ALA H H 2 8.200 8.200 8.603 -0.403 25574 1169 1 13 . 1 1 3 3 GLY CA C 3 44.833 44.833 45.047 -0.214 25574 1170 1 13 . 1 1 3 3 GLY H H 3 8.540 8.540 8.102 0.438 25574 1171 1 13 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.734 -0.292 25574 1172 1 13 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.233 0.593 25574 1173 1 13 . 1 1 4 4 GLN CB C 4 30.318 30.318 29.966 0.352 25574 1174 1 13 . 1 1 4 4 GLN H H 4 8.298 8.298 8.386 -0.088 25574 1175 1 13 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.517 -0.139 25574 1176 1 13 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.837 -4.989 25574 1177 1 13 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.266 14.130 25574 1178 1 13 . 1 1 5 5 CYS H H 5 7.699 7.699 8.448 -0.749 25574 1179 1 13 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.524 0.189 25574 1180 1 13 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.154 -0.057 25574 1181 1 13 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.366 -0.453 25574 1182 1 13 . 1 1 6 6 TYR H H 6 8.716 8.716 8.785 -0.069 25574 1183 1 13 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.804 -0.163 25574 1184 1 13 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.564 0.066 25574 1185 1 13 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.540 -0.985 25574 1186 1 13 . 1 1 7 7 ARG H H 7 9.072 9.072 9.142 -0.070 25574 1187 1 13 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.065 0.162 25574 1188 1 13 . 1 1 8 8 GLY H H 8 8.249 8.249 8.472 -0.223 25574 1189 1 13 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.674 0.039 25574 1190 1 13 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.353 -0.489 25574 1191 1 13 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.234 0.025 25574 1192 1 13 . 1 1 9 9 ARG H H 9 7.816 7.816 7.976 -0.160 25574 1193 1 13 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.954 0.032 25574 1194 1 13 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.896 -3.430 25574 1195 1 13 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.008 17.273 25574 1196 1 13 . 1 1 10 10 CYS H H 10 8.618 8.618 8.727 -0.109 25574 1197 1 13 . 1 1 11 11 SER HA H 11 4.597 4.597 4.557 0.040 25574 1198 1 13 . 1 1 11 11 SER CA C 11 57.879 57.879 57.899 -0.020 25574 1199 1 13 . 1 1 11 11 SER CB C 11 64.063 64.063 65.075 -1.012 25574 1200 1 13 . 1 1 11 11 SER H H 11 8.610 8.610 8.332 0.278 25574 1201 1 13 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.633 1.011 25574 1202 1 13 . 1 1 12 12 GLY H H 12 8.618 8.618 8.846 -0.228 25574 1203 1 13 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.105 -0.118 25574 1204 1 13 . 1 1 13 13 GLY H H 13 8.620 8.620 8.086 0.534 25574 1205 1 13 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.463 -0.180 25574 1206 1 13 . 1 1 14 14 LEU CA C 14 54.306 54.306 54.311 -0.005 25574 1207 1 13 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.732 -1.703 25574 1208 1 13 . 1 1 14 14 LEU H H 14 7.063 7.063 7.639 -0.576 25574 1209 1 13 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.811 -0.369 25574 1210 1 13 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.304 -4.252 25574 1211 1 13 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.901 20.408 25574 1212 1 13 . 1 1 15 15 CYS H H 15 9.046 9.046 8.512 0.534 25574 1213 1 13 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.800 -0.000 25574 1214 1 13 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.320 -2.485 25574 1215 1 13 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.485 14.799 25574 1216 1 13 . 1 1 16 16 CYS H H 16 8.685 8.685 8.798 -0.113 25574 1217 1 13 . 1 1 17 17 SER HA H 17 4.892 4.892 4.423 0.469 25574 1218 1 13 . 1 1 17 17 SER CA C 17 57.178 57.178 57.797 -0.619 25574 1219 1 13 . 1 1 17 17 SER CB C 17 66.501 66.501 64.981 1.520 25574 1220 1 13 . 1 1 17 17 SER H H 17 9.830 9.830 8.659 1.171 25574 1221 1 13 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.179 -0.158 25574 1222 1 13 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.231 -0.378 25574 1223 1 13 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.075 -0.753 25574 1224 1 13 . 1 1 18 18 LYS H H 18 8.916 8.916 8.890 0.026 25574 1225 1 13 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.575 0.052 25574 1226 1 13 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.312 -1.446 25574 1227 1 13 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.728 -0.338 25574 1228 1 13 . 1 1 19 19 TYR H H 19 7.406 7.406 7.706 -0.300 25574 1229 1 13 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.429 1.046 25574 1230 1 13 . 1 1 20 20 GLY H H 20 7.960 7.960 7.817 0.143 25574 1231 1 13 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.521 -0.454 25574 1232 1 13 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.287 0.810 25574 1233 1 13 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.698 2.572 25574 1234 1 13 . 1 1 21 21 TYR H H 21 7.518 7.518 7.911 -0.393 25574 1235 1 13 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.549 0.015 25574 1236 1 13 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.918 -4.844 25574 1237 1 13 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.568 15.578 25574 1238 1 13 . 1 1 22 22 CYS H H 22 8.725 8.725 8.786 -0.061 25574 1239 1 13 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.334 -0.326 25574 1240 1 13 . 1 1 23 23 GLY H H 23 8.751 8.751 8.840 -0.089 25574 1241 1 13 . 1 1 24 24 SER HA H 24 5.091 5.091 4.694 0.397 25574 1242 1 13 . 1 1 24 24 SER CA C 24 56.600 56.600 56.361 0.239 25574 1243 1 13 . 1 1 24 24 SER CB C 24 65.722 65.722 64.267 1.455 25574 1244 1 13 . 1 1 24 24 SER H H 24 7.967 7.967 7.989 -0.022 25574 1245 1 13 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.457 0.263 25574 1246 1 13 . 1 1 25 25 GLY H H 25 8.271 8.271 8.344 -0.073 25574 1247 1 13 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.455 -0.165 25574 1248 1 13 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.895 0.386 25574 1249 1 13 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.920 -0.016 25574 1250 1 13 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.329 -0.221 25574 1251 1 13 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.657 0.086 25574 1252 1 13 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.523 -0.584 25574 1253 1 13 . 1 1 27 27 ALA H H 27 8.685 8.685 8.495 0.190 25574 1254 1 13 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.739 -0.620 25574 1255 1 13 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.980 -8.216 25574 1256 1 13 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.255 0.909 25574 1257 1 13 . 1 1 28 28 TYR H H 28 7.708 7.708 7.555 0.153 25574 1258 1 13 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.612 -0.091 25574 1259 1 13 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.609 -4.627 25574 1260 1 13 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.675 14.383 25574 1261 1 13 . 1 1 29 29 CYS H H 29 8.470 8.470 8.268 0.202 25574 1262 1 14 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.666 -0.469 25574 1263 1 14 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.632 -0.467 25574 1264 1 14 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.784 -0.761 25574 1265 1 14 . 1 1 2 2 ALA H H 2 8.200 8.200 8.647 -0.447 25574 1266 1 14 . 1 1 3 3 GLY CA C 3 44.833 44.833 45.065 -0.232 25574 1267 1 14 . 1 1 3 3 GLY H H 3 8.540 8.540 8.129 0.411 25574 1268 1 14 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.611 -0.169 25574 1269 1 14 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.123 0.703 25574 1270 1 14 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.045 0.273 25574 1271 1 14 . 1 1 4 4 GLN H H 4 8.298 8.298 8.280 0.019 25574 1272 1 14 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.131 0.247 25574 1273 1 14 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.598 -4.750 25574 1274 1 14 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.147 14.249 25574 1275 1 14 . 1 1 5 5 CYS H H 5 7.699 7.699 8.251 -0.552 25574 1276 1 14 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.555 0.158 25574 1277 1 14 . 1 1 6 6 TYR CA C 6 57.097 57.097 56.557 0.540 25574 1278 1 14 . 1 1 6 6 TYR CB C 6 38.913 38.913 38.666 0.247 25574 1279 1 14 . 1 1 6 6 TYR H H 6 8.716 8.716 8.548 0.168 25574 1280 1 14 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.942 -0.301 25574 1281 1 14 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.765 -0.135 25574 1282 1 14 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.698 -1.143 25574 1283 1 14 . 1 1 7 7 ARG H H 7 9.072 9.072 9.327 -0.255 25574 1284 1 14 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.130 0.097 25574 1285 1 14 . 1 1 8 8 GLY H H 8 8.249 8.249 8.466 -0.217 25574 1286 1 14 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.656 0.057 25574 1287 1 14 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.421 -0.557 25574 1288 1 14 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.127 0.133 25574 1289 1 14 . 1 1 9 9 ARG H H 9 7.816 7.816 7.844 -0.028 25574 1290 1 14 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.964 0.022 25574 1291 1 14 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.982 -3.516 25574 1292 1 14 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.445 16.836 25574 1293 1 14 . 1 1 10 10 CYS H H 10 8.618 8.618 8.753 -0.135 25574 1294 1 14 . 1 1 11 11 SER HA H 11 4.597 4.597 4.595 0.002 25574 1295 1 14 . 1 1 11 11 SER CA C 11 57.879 57.879 58.047 -0.168 25574 1296 1 14 . 1 1 11 11 SER CB C 11 64.063 64.063 65.049 -0.986 25574 1297 1 14 . 1 1 11 11 SER H H 11 8.610 8.610 8.433 0.177 25574 1298 1 14 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.784 0.860 25574 1299 1 14 . 1 1 12 12 GLY H H 12 8.618 8.618 8.909 -0.291 25574 1300 1 14 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.115 -0.129 25574 1301 1 14 . 1 1 13 13 GLY H H 13 8.620 8.620 8.090 0.530 25574 1302 1 14 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.458 -0.175 25574 1303 1 14 . 1 1 14 14 LEU CA C 14 54.306 54.306 54.303 0.003 25574 1304 1 14 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.739 -1.710 25574 1305 1 14 . 1 1 14 14 LEU H H 14 7.063 7.063 7.656 -0.593 25574 1306 1 14 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.797 -0.355 25574 1307 1 14 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.289 -4.237 25574 1308 1 14 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.835 20.474 25574 1309 1 14 . 1 1 15 15 CYS H H 15 9.046 9.046 8.499 0.547 25574 1310 1 14 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.765 0.035 25574 1311 1 14 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.328 -2.494 25574 1312 1 14 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.458 14.826 25574 1313 1 14 . 1 1 16 16 CYS H H 16 8.685 8.685 8.779 -0.094 25574 1314 1 14 . 1 1 17 17 SER HA H 17 4.892 4.892 4.338 0.554 25574 1315 1 14 . 1 1 17 17 SER CA C 17 57.178 57.178 57.764 -0.586 25574 1316 1 14 . 1 1 17 17 SER CB C 17 66.501 66.501 64.861 1.640 25574 1317 1 14 . 1 1 17 17 SER H H 17 9.830 9.830 8.617 1.213 25574 1318 1 14 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.094 -0.073 25574 1319 1 14 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.008 -0.155 25574 1320 1 14 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.187 -0.864 25574 1321 1 14 . 1 1 18 18 LYS H H 18 8.916 8.916 8.796 0.120 25574 1322 1 14 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.620 0.007 25574 1323 1 14 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.841 -0.975 25574 1324 1 14 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.776 -0.386 25574 1325 1 14 . 1 1 19 19 TYR H H 19 7.406 7.406 7.594 -0.188 25574 1326 1 14 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.430 1.046 25574 1327 1 14 . 1 1 20 20 GLY H H 20 7.960 7.960 7.791 0.169 25574 1328 1 14 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.398 -0.331 25574 1329 1 14 . 1 1 21 21 TYR CA C 21 57.097 57.097 56.321 0.776 25574 1330 1 14 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.608 2.662 25574 1331 1 14 . 1 1 21 21 TYR H H 21 7.518 7.518 7.878 -0.360 25574 1332 1 14 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.503 0.061 25574 1333 1 14 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.840 -4.766 25574 1334 1 14 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.428 15.718 25574 1335 1 14 . 1 1 22 22 CYS H H 22 8.725 8.725 8.656 0.069 25574 1336 1 14 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.324 -0.316 25574 1337 1 14 . 1 1 23 23 GLY H H 23 8.751 8.751 8.745 0.006 25574 1338 1 14 . 1 1 24 24 SER HA H 24 5.091 5.091 4.691 0.400 25574 1339 1 14 . 1 1 24 24 SER CA C 24 56.600 56.600 56.367 0.233 25574 1340 1 14 . 1 1 24 24 SER CB C 24 65.722 65.722 64.285 1.437 25574 1341 1 14 . 1 1 24 24 SER H H 24 7.967 7.967 7.989 -0.022 25574 1342 1 14 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.455 0.266 25574 1343 1 14 . 1 1 25 25 GLY H H 25 8.271 8.271 8.341 -0.070 25574 1344 1 14 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.445 -0.155 25574 1345 1 14 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.910 0.372 25574 1346 1 14 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.921 -0.017 25574 1347 1 14 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.310 -0.202 25574 1348 1 14 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.634 0.109 25574 1349 1 14 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.515 -0.576 25574 1350 1 14 . 1 1 27 27 ALA H H 27 8.685 8.685 8.505 0.180 25574 1351 1 14 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.715 -0.596 25574 1352 1 14 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.949 -8.185 25574 1353 1 14 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.237 0.927 25574 1354 1 14 . 1 1 28 28 TYR H H 28 7.708 7.708 7.542 0.166 25574 1355 1 14 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.568 -0.047 25574 1356 1 14 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.950 -4.968 25574 1357 1 14 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.765 14.293 25574 1358 1 14 . 1 1 29 29 CYS H H 29 8.470 8.470 8.213 0.257 25574 1359 1 15 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.434 -0.237 25574 1360 1 15 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.018 -0.853 25574 1361 1 15 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.710 -0.687 25574 1362 1 15 . 1 1 2 2 ALA H H 2 8.200 8.200 8.519 -0.319 25574 1363 1 15 . 1 1 3 3 GLY CA C 3 44.833 44.833 45.211 -0.378 25574 1364 1 15 . 1 1 3 3 GLY H H 3 8.540 8.540 7.906 0.634 25574 1365 1 15 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.053 -0.611 25574 1366 1 15 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.208 0.618 25574 1367 1 15 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.525 -0.207 25574 1368 1 15 . 1 1 4 4 GLN H H 4 8.298 8.298 8.310 -0.012 25574 1369 1 15 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.251 0.127 25574 1370 1 15 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.457 -4.609 25574 1371 1 15 . 1 1 5 5 CYS CB C 5 41.396 41.396 26.925 14.471 25574 1372 1 15 . 1 1 5 5 CYS H H 5 7.699 7.699 8.381 -0.682 25574 1373 1 15 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.605 0.108 25574 1374 1 15 . 1 1 6 6 TYR CA C 6 57.097 57.097 56.292 0.805 25574 1375 1 15 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.108 -0.195 25574 1376 1 15 . 1 1 6 6 TYR H H 6 8.716 8.716 8.515 0.201 25574 1377 1 15 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.927 -0.286 25574 1378 1 15 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.862 -0.232 25574 1379 1 15 . 1 1 7 7 ARG CB C 7 27.555 27.555 29.355 -1.800 25574 1380 1 15 . 1 1 7 7 ARG H H 7 9.072 9.072 9.320 -0.248 25574 1381 1 15 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.289 -0.062 25574 1382 1 15 . 1 1 8 8 GLY H H 8 8.249 8.249 8.478 -0.229 25574 1383 1 15 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.639 0.074 25574 1384 1 15 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.976 -0.112 25574 1385 1 15 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.508 -0.249 25574 1386 1 15 . 1 1 9 9 ARG H H 9 7.816 7.816 7.801 0.015 25574 1387 1 15 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.873 0.113 25574 1388 1 15 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.238 -3.772 25574 1389 1 15 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.047 17.234 25574 1390 1 15 . 1 1 10 10 CYS H H 10 8.618 8.618 8.793 -0.175 25574 1391 1 15 . 1 1 11 11 SER HA H 11 4.597 4.597 4.484 0.113 25574 1392 1 15 . 1 1 11 11 SER CA C 11 57.879 57.879 58.304 -0.425 25574 1393 1 15 . 1 1 11 11 SER CB C 11 64.063 64.063 63.893 0.170 25574 1394 1 15 . 1 1 11 11 SER H H 11 8.610 8.610 8.409 0.201 25574 1395 1 15 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.646 0.998 25574 1396 1 15 . 1 1 12 12 GLY H H 12 8.618 8.618 8.816 -0.198 25574 1397 1 15 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.818 0.168 25574 1398 1 15 . 1 1 13 13 GLY H H 13 8.620 8.620 8.050 0.570 25574 1399 1 15 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.668 -0.385 25574 1400 1 15 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.823 0.483 25574 1401 1 15 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.309 -2.280 25574 1402 1 15 . 1 1 14 14 LEU H H 14 7.063 7.063 7.842 -0.779 25574 1403 1 15 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.785 -0.343 25574 1404 1 15 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.294 -4.242 25574 1405 1 15 . 1 1 15 15 CYS CB C 15 50.309 50.309 31.023 19.286 25574 1406 1 15 . 1 1 15 15 CYS H H 15 9.046 9.046 8.653 0.393 25574 1407 1 15 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.733 0.067 25574 1408 1 15 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.221 -2.386 25574 1409 1 15 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.327 14.957 25574 1410 1 15 . 1 1 16 16 CYS H H 16 8.685 8.685 8.762 -0.077 25574 1411 1 15 . 1 1 17 17 SER HA H 17 4.892 4.892 4.386 0.506 25574 1412 1 15 . 1 1 17 17 SER CA C 17 57.178 57.178 57.782 -0.604 25574 1413 1 15 . 1 1 17 17 SER CB C 17 66.501 66.501 64.930 1.571 25574 1414 1 15 . 1 1 17 17 SER H H 17 9.830 9.830 8.589 1.241 25574 1415 1 15 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.110 -0.089 25574 1416 1 15 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.194 -0.341 25574 1417 1 15 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.221 -0.898 25574 1418 1 15 . 1 1 18 18 LYS H H 18 8.916 8.916 8.850 0.066 25574 1419 1 15 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.439 0.188 25574 1420 1 15 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.075 -1.209 25574 1421 1 15 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.663 -0.273 25574 1422 1 15 . 1 1 19 19 TYR H H 19 7.406 7.406 7.610 -0.204 25574 1423 1 15 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.298 1.178 25574 1424 1 15 . 1 1 20 20 GLY H H 20 7.960 7.960 7.662 0.298 25574 1425 1 15 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.459 -0.392 25574 1426 1 15 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.827 1.270 25574 1427 1 15 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.463 2.807 25574 1428 1 15 . 1 1 21 21 TYR H H 21 7.518 7.518 7.613 -0.095 25574 1429 1 15 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.518 0.046 25574 1430 1 15 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.947 -4.872 25574 1431 1 15 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.607 15.539 25574 1432 1 15 . 1 1 22 22 CYS H H 22 8.725 8.725 8.745 -0.020 25574 1433 1 15 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.528 -0.520 25574 1434 1 15 . 1 1 23 23 GLY H H 23 8.751 8.751 8.696 0.055 25574 1435 1 15 . 1 1 24 24 SER HA H 24 5.091 5.091 4.712 0.379 25574 1436 1 15 . 1 1 24 24 SER CA C 24 56.600 56.600 55.908 0.692 25574 1437 1 15 . 1 1 24 24 SER CB C 24 65.722 65.722 64.910 0.812 25574 1438 1 15 . 1 1 24 24 SER H H 24 7.967 7.967 7.941 0.026 25574 1439 1 15 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.472 0.248 25574 1440 1 15 . 1 1 25 25 GLY H H 25 8.271 8.271 8.195 0.076 25574 1441 1 15 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.451 -0.161 25574 1442 1 15 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.903 0.379 25574 1443 1 15 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.921 -0.017 25574 1444 1 15 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.304 -0.196 25574 1445 1 15 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.639 0.104 25574 1446 1 15 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.487 -0.548 25574 1447 1 15 . 1 1 27 27 ALA H H 27 8.685 8.685 8.508 0.177 25574 1448 1 15 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.724 -0.605 25574 1449 1 15 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.999 -8.235 25574 1450 1 15 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.243 0.921 25574 1451 1 15 . 1 1 28 28 TYR H H 28 7.708 7.708 7.549 0.159 25574 1452 1 15 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.604 -0.083 25574 1453 1 15 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.607 -4.625 25574 1454 1 15 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.676 14.382 25574 1455 1 15 . 1 1 29 29 CYS H H 29 8.470 8.470 8.256 0.214 25574 1456 1 16 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.476 -0.279 25574 1457 1 16 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.938 -0.773 25574 1458 1 16 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.549 -0.526 25574 1459 1 16 . 1 1 2 2 ALA H H 2 8.200 8.200 8.682 -0.482 25574 1460 1 16 . 1 1 3 3 GLY CA C 3 44.833 44.833 45.017 -0.184 25574 1461 1 16 . 1 1 3 3 GLY H H 3 8.540 8.540 8.072 0.468 25574 1462 1 16 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.164 -0.722 25574 1463 1 16 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.434 0.392 25574 1464 1 16 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.190 0.128 25574 1465 1 16 . 1 1 4 4 GLN H H 4 8.298 8.298 8.519 -0.221 25574 1466 1 16 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.575 -0.197 25574 1467 1 16 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.772 -4.924 25574 1468 1 16 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.112 14.284 25574 1469 1 16 . 1 1 5 5 CYS H H 5 7.699 7.699 8.588 -0.889 25574 1470 1 16 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.557 0.156 25574 1471 1 16 . 1 1 6 6 TYR CA C 6 57.097 57.097 56.995 0.102 25574 1472 1 16 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.431 -0.518 25574 1473 1 16 . 1 1 6 6 TYR H H 6 8.716 8.716 8.823 -0.107 25574 1474 1 16 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.773 -0.132 25574 1475 1 16 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.573 0.057 25574 1476 1 16 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.496 -0.941 25574 1477 1 16 . 1 1 7 7 ARG H H 7 9.072 9.072 8.955 0.117 25574 1478 1 16 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.122 0.105 25574 1479 1 16 . 1 1 8 8 GLY H H 8 8.249 8.249 8.491 -0.242 25574 1480 1 16 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.656 0.057 25574 1481 1 16 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.498 -0.634 25574 1482 1 16 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.163 0.097 25574 1483 1 16 . 1 1 9 9 ARG H H 9 7.816 7.816 7.820 -0.004 25574 1484 1 16 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.895 0.091 25574 1485 1 16 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.146 -3.680 25574 1486 1 16 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.165 17.116 25574 1487 1 16 . 1 1 10 10 CYS H H 10 8.618 8.618 8.778 -0.160 25574 1488 1 16 . 1 1 11 11 SER HA H 11 4.597 4.597 4.452 0.145 25574 1489 1 16 . 1 1 11 11 SER CA C 11 57.879 57.879 58.593 -0.714 25574 1490 1 16 . 1 1 11 11 SER CB C 11 64.063 64.063 64.125 -0.062 25574 1491 1 16 . 1 1 11 11 SER H H 11 8.610 8.610 8.589 0.021 25574 1492 1 16 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.962 0.682 25574 1493 1 16 . 1 1 12 12 GLY H H 12 8.618 8.618 8.828 -0.210 25574 1494 1 16 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.786 0.200 25574 1495 1 16 . 1 1 13 13 GLY H H 13 8.620 8.620 8.071 0.549 25574 1496 1 16 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.592 -0.309 25574 1497 1 16 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.892 0.414 25574 1498 1 16 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.402 -2.373 25574 1499 1 16 . 1 1 14 14 LEU H H 14 7.063 7.063 8.048 -0.985 25574 1500 1 16 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.804 -0.362 25574 1501 1 16 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.264 -4.212 25574 1502 1 16 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.416 19.892 25574 1503 1 16 . 1 1 15 15 CYS H H 15 9.046 9.046 8.605 0.441 25574 1504 1 16 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.799 0.001 25574 1505 1 16 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.054 -2.219 25574 1506 1 16 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.356 14.928 25574 1507 1 16 . 1 1 16 16 CYS H H 16 8.685 8.685 8.688 -0.003 25574 1508 1 16 . 1 1 17 17 SER HA H 17 4.892 4.892 4.350 0.542 25574 1509 1 16 . 1 1 17 17 SER CA C 17 57.178 57.178 57.805 -0.627 25574 1510 1 16 . 1 1 17 17 SER CB C 17 66.501 66.501 64.889 1.612 25574 1511 1 16 . 1 1 17 17 SER H H 17 9.830 9.830 8.656 1.174 25574 1512 1 16 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.082 -0.061 25574 1513 1 16 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.018 -0.165 25574 1514 1 16 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.226 -0.903 25574 1515 1 16 . 1 1 18 18 LYS H H 18 8.916 8.916 8.841 0.075 25574 1516 1 16 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.439 0.188 25574 1517 1 16 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.969 -1.103 25574 1518 1 16 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.706 -0.316 25574 1519 1 16 . 1 1 19 19 TYR H H 19 7.406 7.406 7.551 -0.145 25574 1520 1 16 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.339 1.137 25574 1521 1 16 . 1 1 20 20 GLY H H 20 7.960 7.960 7.655 0.305 25574 1522 1 16 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.569 -0.502 25574 1523 1 16 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.498 1.599 25574 1524 1 16 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.318 2.953 25574 1525 1 16 . 1 1 21 21 TYR H H 21 7.518 7.518 7.592 -0.074 25574 1526 1 16 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.539 0.025 25574 1527 1 16 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.728 -4.654 25574 1528 1 16 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.537 15.609 25574 1529 1 16 . 1 1 22 22 CYS H H 22 8.725 8.725 8.716 0.009 25574 1530 1 16 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.367 -0.359 25574 1531 1 16 . 1 1 23 23 GLY H H 23 8.751 8.751 8.733 0.018 25574 1532 1 16 . 1 1 24 24 SER HA H 24 5.091 5.091 4.707 0.384 25574 1533 1 16 . 1 1 24 24 SER CA C 24 56.600 56.600 56.175 0.425 25574 1534 1 16 . 1 1 24 24 SER CB C 24 65.722 65.722 64.276 1.446 25574 1535 1 16 . 1 1 24 24 SER H H 24 7.967 7.967 7.972 -0.005 25574 1536 1 16 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.442 0.278 25574 1537 1 16 . 1 1 25 25 GLY H H 25 8.271 8.271 8.317 -0.046 25574 1538 1 16 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.453 -0.163 25574 1539 1 16 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.905 0.377 25574 1540 1 16 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.922 -0.018 25574 1541 1 16 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.330 -0.222 25574 1542 1 16 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.646 0.097 25574 1543 1 16 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.526 -0.587 25574 1544 1 16 . 1 1 27 27 ALA H H 27 8.685 8.685 8.500 0.185 25574 1545 1 16 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.732 -0.613 25574 1546 1 16 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.983 -8.219 25574 1547 1 16 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.233 0.931 25574 1548 1 16 . 1 1 28 28 TYR H H 28 7.708 7.708 7.555 0.153 25574 1549 1 16 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.609 -0.088 25574 1550 1 16 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.639 -4.657 25574 1551 1 16 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.692 14.366 25574 1552 1 16 . 1 1 29 29 CYS H H 29 8.470 8.470 8.261 0.209 25574 1553 1 17 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.512 -0.315 25574 1554 1 17 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.323 -0.158 25574 1555 1 17 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.644 -0.621 25574 1556 1 17 . 1 1 2 2 ALA H H 2 8.200 8.200 8.204 -0.004 25574 1557 1 17 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.643 0.190 25574 1558 1 17 . 1 1 3 3 GLY H H 3 8.540 8.540 8.016 0.524 25574 1559 1 17 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.056 -0.614 25574 1560 1 17 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.784 0.042 25574 1561 1 17 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.616 -0.298 25574 1562 1 17 . 1 1 4 4 GLN H H 4 8.298 8.298 8.558 -0.260 25574 1563 1 17 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.574 -0.196 25574 1564 1 17 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.638 -4.790 25574 1565 1 17 . 1 1 5 5 CYS CB C 5 41.396 41.396 26.867 14.529 25574 1566 1 17 . 1 1 5 5 CYS H H 5 7.699 7.699 8.546 -0.847 25574 1567 1 17 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.589 0.124 25574 1568 1 17 . 1 1 6 6 TYR CA C 6 57.097 57.097 56.689 0.408 25574 1569 1 17 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.615 -0.702 25574 1570 1 17 . 1 1 6 6 TYR H H 6 8.716 8.716 9.036 -0.320 25574 1571 1 17 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.788 -0.147 25574 1572 1 17 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.623 0.007 25574 1573 1 17 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.616 -1.062 25574 1574 1 17 . 1 1 7 7 ARG H H 7 9.072 9.072 9.213 -0.141 25574 1575 1 17 . 1 1 8 8 GLY CA C 8 45.227 45.227 44.999 0.228 25574 1576 1 17 . 1 1 8 8 GLY H H 8 8.249 8.249 8.467 -0.218 25574 1577 1 17 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.682 0.031 25574 1578 1 17 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.102 -0.238 25574 1579 1 17 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.228 0.032 25574 1580 1 17 . 1 1 9 9 ARG H H 9 7.816 7.816 7.851 -0.035 25574 1581 1 17 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.906 0.080 25574 1582 1 17 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.249 -3.783 25574 1583 1 17 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.530 16.751 25574 1584 1 17 . 1 1 10 10 CYS H H 10 8.618 8.618 8.546 0.072 25574 1585 1 17 . 1 1 11 11 SER HA H 11 4.597 4.597 4.681 -0.084 25574 1586 1 17 . 1 1 11 11 SER CA C 11 57.879 57.879 58.477 -0.598 25574 1587 1 17 . 1 1 11 11 SER CB C 11 64.063 64.063 64.383 -0.320 25574 1588 1 17 . 1 1 11 11 SER H H 11 8.610 8.610 8.376 0.234 25574 1589 1 17 . 1 1 12 12 GLY CA C 12 46.644 46.644 46.792 -0.148 25574 1590 1 17 . 1 1 12 12 GLY H H 12 8.618 8.618 8.761 -0.143 25574 1591 1 17 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.313 0.673 25574 1592 1 17 . 1 1 13 13 GLY H H 13 8.620 8.620 8.301 0.319 25574 1593 1 17 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.388 -0.105 25574 1594 1 17 . 1 1 14 14 LEU CA C 14 54.306 54.306 55.106 -0.800 25574 1595 1 17 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.347 -1.318 25574 1596 1 17 . 1 1 14 14 LEU H H 14 7.063 7.063 7.821 -0.758 25574 1597 1 17 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.794 -0.352 25574 1598 1 17 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.269 -4.217 25574 1599 1 17 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.143 20.166 25574 1600 1 17 . 1 1 15 15 CYS H H 15 9.046 9.046 8.513 0.533 25574 1601 1 17 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.859 -0.059 25574 1602 1 17 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.045 -2.210 25574 1603 1 17 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.640 14.644 25574 1604 1 17 . 1 1 16 16 CYS H H 16 8.685 8.685 8.692 -0.007 25574 1605 1 17 . 1 1 17 17 SER HA H 17 4.892 4.892 4.416 0.476 25574 1606 1 17 . 1 1 17 17 SER CA C 17 57.178 57.178 57.931 -0.753 25574 1607 1 17 . 1 1 17 17 SER CB C 17 66.501 66.501 64.952 1.549 25574 1608 1 17 . 1 1 17 17 SER H H 17 9.830 9.830 8.707 1.123 25574 1609 1 17 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.118 -0.097 25574 1610 1 17 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.319 -0.466 25574 1611 1 17 . 1 1 18 18 LYS CB C 18 31.323 31.323 31.761 -0.438 25574 1612 1 17 . 1 1 18 18 LYS H H 18 8.916 8.916 8.799 0.117 25574 1613 1 17 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.441 0.186 25574 1614 1 17 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.944 -1.077 25574 1615 1 17 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.423 -0.033 25574 1616 1 17 . 1 1 19 19 TYR H H 19 7.406 7.406 7.586 -0.180 25574 1617 1 17 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.297 1.179 25574 1618 1 17 . 1 1 20 20 GLY H H 20 7.960 7.960 7.646 0.314 25574 1619 1 17 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.439 -0.372 25574 1620 1 17 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.666 1.431 25574 1621 1 17 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.134 3.136 25574 1622 1 17 . 1 1 21 21 TYR H H 21 7.518 7.518 7.586 -0.068 25574 1623 1 17 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.557 0.007 25574 1624 1 17 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.922 -4.848 25574 1625 1 17 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.782 15.364 25574 1626 1 17 . 1 1 22 22 CYS H H 22 8.725 8.725 8.700 0.025 25574 1627 1 17 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.450 -0.442 25574 1628 1 17 . 1 1 23 23 GLY H H 23 8.751 8.751 8.705 0.046 25574 1629 1 17 . 1 1 24 24 SER HA H 24 5.091 5.091 4.713 0.378 25574 1630 1 17 . 1 1 24 24 SER CA C 24 56.600 56.600 55.854 0.746 25574 1631 1 17 . 1 1 24 24 SER CB C 24 65.722 65.722 64.906 0.816 25574 1632 1 17 . 1 1 24 24 SER H H 24 7.967 7.967 7.944 0.023 25574 1633 1 17 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.489 0.231 25574 1634 1 17 . 1 1 25 25 GLY H H 25 8.271 8.271 8.196 0.075 25574 1635 1 17 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.453 -0.163 25574 1636 1 17 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.900 0.382 25574 1637 1 17 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.917 -0.013 25574 1638 1 17 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.314 -0.206 25574 1639 1 17 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.628 0.115 25574 1640 1 17 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.347 -0.408 25574 1641 1 17 . 1 1 27 27 ALA H H 27 8.685 8.685 8.466 0.219 25574 1642 1 17 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.692 -0.573 25574 1643 1 17 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.940 -8.176 25574 1644 1 17 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.724 0.440 25574 1645 1 17 . 1 1 28 28 TYR H H 28 7.708 7.708 7.537 0.171 25574 1646 1 17 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.606 -0.085 25574 1647 1 17 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.658 -4.676 25574 1648 1 17 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.679 14.379 25574 1649 1 17 . 1 1 29 29 CYS H H 29 8.470 8.470 8.265 0.205 25574 1650 1 18 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.430 -0.233 25574 1651 1 18 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.321 -0.156 25574 1652 1 18 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.799 -0.775 25574 1653 1 18 . 1 1 2 2 ALA H H 2 8.200 8.200 8.649 -0.449 25574 1654 1 18 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.701 0.132 25574 1655 1 18 . 1 1 3 3 GLY H H 3 8.540 8.540 7.612 0.928 25574 1656 1 18 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.162 -0.720 25574 1657 1 18 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.560 0.266 25574 1658 1 18 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.333 -0.015 25574 1659 1 18 . 1 1 4 4 GLN H H 4 8.298 8.298 8.541 -0.243 25574 1660 1 18 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.540 -0.162 25574 1661 1 18 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.161 -4.313 25574 1662 1 18 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.911 13.485 25574 1663 1 18 . 1 1 5 5 CYS H H 5 7.699 7.699 8.362 -0.663 25574 1664 1 18 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.634 0.079 25574 1665 1 18 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.379 -0.282 25574 1666 1 18 . 1 1 6 6 TYR CB C 6 38.913 38.913 40.407 -1.494 25574 1667 1 18 . 1 1 6 6 TYR H H 6 8.716 8.716 8.670 0.046 25574 1668 1 18 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.912 -0.271 25574 1669 1 18 . 1 1 7 7 ARG CA C 7 56.630 56.630 57.011 -0.381 25574 1670 1 18 . 1 1 7 7 ARG CB C 7 27.555 27.555 29.500 -1.944 25574 1671 1 18 . 1 1 7 7 ARG H H 7 9.072 9.072 9.356 -0.284 25574 1672 1 18 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.252 -0.025 25574 1673 1 18 . 1 1 8 8 GLY H H 8 8.249 8.249 8.553 -0.304 25574 1674 1 18 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.656 0.057 25574 1675 1 18 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.526 -0.662 25574 1676 1 18 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.552 -0.292 25574 1677 1 18 . 1 1 9 9 ARG H H 9 7.816 7.816 7.823 -0.007 25574 1678 1 18 . 1 1 10 10 CYS HA H 10 4.986 4.986 5.016 -0.030 25574 1679 1 18 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.792 -3.326 25574 1680 1 18 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.166 17.115 25574 1681 1 18 . 1 1 10 10 CYS H H 10 8.618 8.618 8.877 -0.259 25574 1682 1 18 . 1 1 11 11 SER HA H 11 4.597 4.597 4.555 0.042 25574 1683 1 18 . 1 1 11 11 SER CA C 11 57.879 57.879 57.927 -0.048 25574 1684 1 18 . 1 1 11 11 SER CB C 11 64.063 64.063 65.266 -1.203 25574 1685 1 18 . 1 1 11 11 SER H H 11 8.610 8.610 8.373 0.237 25574 1686 1 18 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.434 1.210 25574 1687 1 18 . 1 1 12 12 GLY H H 12 8.618 8.618 8.984 -0.366 25574 1688 1 18 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.080 -0.094 25574 1689 1 18 . 1 1 13 13 GLY H H 13 8.620 8.620 8.070 0.550 25574 1690 1 18 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.521 -0.238 25574 1691 1 18 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.993 0.313 25574 1692 1 18 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.063 -2.034 25574 1693 1 18 . 1 1 14 14 LEU H H 14 7.063 7.063 7.654 -0.591 25574 1694 1 18 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.815 -0.373 25574 1695 1 18 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.302 -4.250 25574 1696 1 18 . 1 1 15 15 CYS CB C 15 50.309 50.309 29.613 20.696 25574 1697 1 18 . 1 1 15 15 CYS H H 15 9.046 9.046 8.514 0.532 25574 1698 1 18 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.766 0.034 25574 1699 1 18 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.352 -2.517 25574 1700 1 18 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.453 14.831 25574 1701 1 18 . 1 1 16 16 CYS H H 16 8.685 8.685 8.807 -0.122 25574 1702 1 18 . 1 1 17 17 SER HA H 17 4.892 4.892 4.399 0.493 25574 1703 1 18 . 1 1 17 17 SER CA C 17 57.178 57.178 57.806 -0.628 25574 1704 1 18 . 1 1 17 17 SER CB C 17 66.501 66.501 64.931 1.570 25574 1705 1 18 . 1 1 17 17 SER H H 17 9.830 9.830 8.677 1.153 25574 1706 1 18 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.184 -0.163 25574 1707 1 18 . 1 1 18 18 LYS CA C 18 57.853 57.853 57.774 0.079 25574 1708 1 18 . 1 1 18 18 LYS CB C 18 31.323 31.323 31.790 -0.467 25574 1709 1 18 . 1 1 18 18 LYS H H 18 8.916 8.916 8.885 0.031 25574 1710 1 18 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.357 0.270 25574 1711 1 18 . 1 1 19 19 TYR CA C 19 56.866 56.866 58.019 -1.153 25574 1712 1 18 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.426 -0.036 25574 1713 1 18 . 1 1 19 19 TYR H H 19 7.406 7.406 7.603 -0.197 25574 1714 1 18 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.245 1.231 25574 1715 1 18 . 1 1 20 20 GLY H H 20 7.960 7.960 7.640 0.320 25574 1716 1 18 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.592 -0.525 25574 1717 1 18 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.089 2.008 25574 1718 1 18 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.172 3.098 25574 1719 1 18 . 1 1 21 21 TYR H H 21 7.518 7.518 7.566 -0.048 25574 1720 1 18 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.515 0.049 25574 1721 1 18 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.865 -4.791 25574 1722 1 18 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.676 15.470 25574 1723 1 18 . 1 1 22 22 CYS H H 22 8.725 8.725 8.713 0.012 25574 1724 1 18 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.150 -0.142 25574 1725 1 18 . 1 1 23 23 GLY H H 23 8.751 8.751 8.697 0.054 25574 1726 1 18 . 1 1 24 24 SER HA H 24 5.091 5.091 4.700 0.391 25574 1727 1 18 . 1 1 24 24 SER CA C 24 56.600 56.600 56.368 0.231 25574 1728 1 18 . 1 1 24 24 SER CB C 24 65.722 65.722 64.298 1.424 25574 1729 1 18 . 1 1 24 24 SER H H 24 7.967 7.967 7.983 -0.016 25574 1730 1 18 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.468 0.252 25574 1731 1 18 . 1 1 25 25 GLY H H 25 8.271 8.271 8.357 -0.086 25574 1732 1 18 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.452 -0.162 25574 1733 1 18 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.901 0.381 25574 1734 1 18 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.910 -0.006 25574 1735 1 18 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.300 -0.192 25574 1736 1 18 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.684 0.059 25574 1737 1 18 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.482 -0.543 25574 1738 1 18 . 1 1 27 27 ALA H H 27 8.685 8.685 8.513 0.172 25574 1739 1 18 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.735 -0.616 25574 1740 1 18 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.937 -8.173 25574 1741 1 18 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.292 0.872 25574 1742 1 18 . 1 1 28 28 TYR H H 28 7.708 7.708 7.550 0.158 25574 1743 1 18 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.606 -0.085 25574 1744 1 18 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.587 -4.606 25574 1745 1 18 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.597 14.461 25574 1746 1 18 . 1 1 29 29 CYS H H 29 8.470 8.470 8.280 0.190 25574 1747 1 19 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.612 -0.415 25574 1748 1 19 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.637 -0.472 25574 1749 1 19 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.861 -0.838 25574 1750 1 19 . 1 1 2 2 ALA H H 2 8.200 8.200 8.397 -0.197 25574 1751 1 19 . 1 1 3 3 GLY CA C 3 44.833 44.833 45.169 -0.335 25574 1752 1 19 . 1 1 3 3 GLY H H 3 8.540 8.540 8.062 0.478 25574 1753 1 19 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.249 -0.807 25574 1754 1 19 . 1 1 4 4 GLN CA C 4 55.826 55.826 56.080 -0.254 25574 1755 1 19 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.073 0.246 25574 1756 1 19 . 1 1 4 4 GLN H H 4 8.298 8.298 8.557 -0.259 25574 1757 1 19 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.616 -0.238 25574 1758 1 19 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.138 -4.290 25574 1759 1 19 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.854 13.542 25574 1760 1 19 . 1 1 5 5 CYS H H 5 7.699 7.699 8.540 -0.841 25574 1761 1 19 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.632 0.081 25574 1762 1 19 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.575 -0.478 25574 1763 1 19 . 1 1 6 6 TYR CB C 6 38.913 38.913 40.681 -1.768 25574 1764 1 19 . 1 1 6 6 TYR H H 6 8.716 8.716 8.550 0.166 25574 1765 1 19 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.785 -0.144 25574 1766 1 19 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.714 -0.084 25574 1767 1 19 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.968 -1.413 25574 1768 1 19 . 1 1 7 7 ARG H H 7 9.072 9.072 9.037 0.035 25574 1769 1 19 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.121 0.106 25574 1770 1 19 . 1 1 8 8 GLY H H 8 8.249 8.249 8.446 -0.197 25574 1771 1 19 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.722 -0.009 25574 1772 1 19 . 1 1 9 9 ARG CA C 9 54.864 54.864 54.974 -0.111 25574 1773 1 19 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.501 -0.241 25574 1774 1 19 . 1 1 9 9 ARG H H 9 7.816 7.816 7.883 -0.067 25574 1775 1 19 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.866 0.120 25574 1776 1 19 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.055 -3.589 25574 1777 1 19 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.591 16.690 25574 1778 1 19 . 1 1 10 10 CYS H H 10 8.618 8.618 8.761 -0.143 25574 1779 1 19 . 1 1 11 11 SER HA H 11 4.597 4.597 4.438 0.159 25574 1780 1 19 . 1 1 11 11 SER CA C 11 57.879 57.879 58.566 -0.686 25574 1781 1 19 . 1 1 11 11 SER CB C 11 64.063 64.063 64.141 -0.078 25574 1782 1 19 . 1 1 11 11 SER H H 11 8.610 8.610 8.521 0.089 25574 1783 1 19 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.672 0.972 25574 1784 1 19 . 1 1 12 12 GLY H H 12 8.618 8.618 8.804 -0.186 25574 1785 1 19 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.821 0.165 25574 1786 1 19 . 1 1 13 13 GLY H H 13 8.620 8.620 8.036 0.584 25574 1787 1 19 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.667 -0.384 25574 1788 1 19 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.882 0.424 25574 1789 1 19 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.378 -2.349 25574 1790 1 19 . 1 1 14 14 LEU H H 14 7.063 7.063 7.843 -0.780 25574 1791 1 19 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.800 -0.358 25574 1792 1 19 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.339 -4.287 25574 1793 1 19 . 1 1 15 15 CYS CB C 15 50.309 50.309 31.074 19.235 25574 1794 1 19 . 1 1 15 15 CYS H H 15 9.046 9.046 8.693 0.353 25574 1795 1 19 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.803 -0.003 25574 1796 1 19 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.198 -2.363 25574 1797 1 19 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.457 14.827 25574 1798 1 19 . 1 1 16 16 CYS H H 16 8.685 8.685 8.774 -0.089 25574 1799 1 19 . 1 1 17 17 SER HA H 17 4.892 4.892 4.356 0.536 25574 1800 1 19 . 1 1 17 17 SER CA C 17 57.178 57.178 57.779 -0.601 25574 1801 1 19 . 1 1 17 17 SER CB C 17 66.501 66.501 64.908 1.593 25574 1802 1 19 . 1 1 17 17 SER H H 17 9.830 9.830 8.668 1.162 25574 1803 1 19 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.102 -0.081 25574 1804 1 19 . 1 1 18 18 LYS CA C 18 57.853 57.853 57.975 -0.122 25574 1805 1 19 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.201 -0.878 25574 1806 1 19 . 1 1 18 18 LYS H H 18 8.916 8.916 8.860 0.056 25574 1807 1 19 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.376 0.251 25574 1808 1 19 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.852 -0.986 25574 1809 1 19 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.622 -0.232 25574 1810 1 19 . 1 1 19 19 TYR H H 19 7.406 7.406 7.491 -0.085 25574 1811 1 19 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.184 1.292 25574 1812 1 19 . 1 1 20 20 GLY H H 20 7.960 7.960 7.565 0.395 25574 1813 1 19 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.534 -0.467 25574 1814 1 19 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.355 1.742 25574 1815 1 19 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.328 2.942 25574 1816 1 19 . 1 1 21 21 TYR H H 21 7.518 7.518 7.602 -0.084 25574 1817 1 19 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.571 -0.007 25574 1818 1 19 . 1 1 22 22 CYS CA C 22 54.074 54.074 59.068 -4.994 25574 1819 1 19 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.799 15.347 25574 1820 1 19 . 1 1 22 22 CYS H H 22 8.725 8.725 8.706 0.019 25574 1821 1 19 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.369 -0.361 25574 1822 1 19 . 1 1 23 23 GLY H H 23 8.751 8.751 8.662 0.089 25574 1823 1 19 . 1 1 24 24 SER HA H 24 5.091 5.091 4.718 0.373 25574 1824 1 19 . 1 1 24 24 SER CA C 24 56.600 56.600 55.964 0.636 25574 1825 1 19 . 1 1 24 24 SER CB C 24 65.722 65.722 64.875 0.847 25574 1826 1 19 . 1 1 24 24 SER H H 24 7.967 7.967 7.950 0.017 25574 1827 1 19 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.473 0.247 25574 1828 1 19 . 1 1 25 25 GLY H H 25 8.271 8.271 8.196 0.075 25574 1829 1 19 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.454 -0.164 25574 1830 1 19 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.915 0.367 25574 1831 1 19 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.930 -0.026 25574 1832 1 19 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.330 -0.222 25574 1833 1 19 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.648 0.095 25574 1834 1 19 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.532 -0.593 25574 1835 1 19 . 1 1 27 27 ALA H H 27 8.685 8.685 8.513 0.172 25574 1836 1 19 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.735 -0.616 25574 1837 1 19 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.983 -8.219 25574 1838 1 19 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.248 0.916 25574 1839 1 19 . 1 1 28 28 TYR H H 28 7.708 7.708 7.555 0.153 25574 1840 1 19 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.577 -0.056 25574 1841 1 19 . 1 1 29 29 CYS CA C 29 54.982 54.982 60.006 -5.024 25574 1842 1 19 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.788 14.270 25574 1843 1 19 . 1 1 29 29 CYS H H 29 8.470 8.470 8.219 0.251 25574 1844 1 20 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.339 -0.142 25574 1845 1 20 . 1 1 2 2 ALA CA C 2 52.165 52.165 53.619 -1.454 25574 1846 1 20 . 1 1 2 2 ALA CB C 2 19.023 19.023 18.387 0.636 25574 1847 1 20 . 1 1 2 2 ALA H H 2 8.200 8.200 8.490 -0.290 25574 1848 1 20 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.305 0.528 25574 1849 1 20 . 1 1 3 3 GLY H H 3 8.540 8.540 7.675 0.865 25574 1850 1 20 . 1 1 4 4 GLN HA H 4 4.442 4.442 4.843 -0.401 25574 1851 1 20 . 1 1 4 4 GLN CA C 4 55.826 55.826 56.366 -0.540 25574 1852 1 20 . 1 1 4 4 GLN CB C 4 30.318 30.318 29.875 0.443 25574 1853 1 20 . 1 1 4 4 GLN H H 4 8.298 8.298 8.576 -0.278 25574 1854 1 20 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.576 -0.198 25574 1855 1 20 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.400 -4.552 25574 1856 1 20 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.726 13.670 25574 1857 1 20 . 1 1 5 5 CYS H H 5 7.699 7.699 8.447 -0.748 25574 1858 1 20 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.620 0.093 25574 1859 1 20 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.530 -0.433 25574 1860 1 20 . 1 1 6 6 TYR CB C 6 38.913 38.913 40.517 -1.604 25574 1861 1 20 . 1 1 6 6 TYR H H 6 8.716 8.716 8.630 0.086 25574 1862 1 20 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.792 -0.151 25574 1863 1 20 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.881 -0.251 25574 1864 1 20 . 1 1 7 7 ARG CB C 7 27.555 27.555 29.188 -1.633 25574 1865 1 20 . 1 1 7 7 ARG H H 7 9.072 9.072 8.967 0.105 25574 1866 1 20 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.088 0.139 25574 1867 1 20 . 1 1 8 8 GLY H H 8 8.249 8.249 8.489 -0.240 25574 1868 1 20 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.697 0.016 25574 1869 1 20 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.050 -0.186 25574 1870 1 20 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.670 -0.410 25574 1871 1 20 . 1 1 9 9 ARG H H 9 7.816 7.816 7.873 -0.057 25574 1872 1 20 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.861 0.125 25574 1873 1 20 . 1 1 10 10 CYS CA C 10 54.466 54.466 57.781 -3.315 25574 1874 1 20 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.874 16.407 25574 1875 1 20 . 1 1 10 10 CYS H H 10 8.618 8.618 8.735 -0.117 25574 1876 1 20 . 1 1 11 11 SER HA H 11 4.597 4.597 4.436 0.161 25574 1877 1 20 . 1 1 11 11 SER CA C 11 57.879 57.879 58.580 -0.701 25574 1878 1 20 . 1 1 11 11 SER CB C 11 64.063 64.063 64.338 -0.275 25574 1879 1 20 . 1 1 11 11 SER H H 11 8.610 8.610 8.673 -0.063 25574 1880 1 20 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.504 1.140 25574 1881 1 20 . 1 1 12 12 GLY H H 12 8.618 8.618 8.742 -0.124 25574 1882 1 20 . 1 1 13 13 GLY CA C 13 44.986 44.986 44.781 0.205 25574 1883 1 20 . 1 1 13 13 GLY H H 13 8.620 8.620 8.077 0.543 25574 1884 1 20 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.631 -0.348 25574 1885 1 20 . 1 1 14 14 LEU CA C 14 54.306 54.306 53.787 0.519 25574 1886 1 20 . 1 1 14 14 LEU CB C 14 42.029 42.029 44.305 -2.276 25574 1887 1 20 . 1 1 14 14 LEU H H 14 7.063 7.063 7.814 -0.751 25574 1888 1 20 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.800 -0.358 25574 1889 1 20 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.273 -4.221 25574 1890 1 20 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.841 19.468 25574 1891 1 20 . 1 1 15 15 CYS H H 15 9.046 9.046 8.621 0.425 25574 1892 1 20 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.755 0.045 25574 1893 1 20 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.404 -2.569 25574 1894 1 20 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.350 14.934 25574 1895 1 20 . 1 1 16 16 CYS H H 16 8.685 8.685 8.785 -0.100 25574 1896 1 20 . 1 1 17 17 SER HA H 17 4.892 4.892 4.343 0.549 25574 1897 1 20 . 1 1 17 17 SER CA C 17 57.178 57.178 57.773 -0.595 25574 1898 1 20 . 1 1 17 17 SER CB C 17 66.501 66.501 64.869 1.632 25574 1899 1 20 . 1 1 17 17 SER H H 17 9.830 9.830 8.626 1.204 25574 1900 1 20 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.076 -0.055 25574 1901 1 20 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.005 -0.152 25574 1902 1 20 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.187 -0.864 25574 1903 1 20 . 1 1 18 18 LYS H H 18 8.916 8.916 8.807 0.109 25574 1904 1 20 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.444 0.183 25574 1905 1 20 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.465 -0.598 25574 1906 1 20 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.701 -0.311 25574 1907 1 20 . 1 1 19 19 TYR H H 19 7.406 7.406 7.443 -0.037 25574 1908 1 20 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.228 1.248 25574 1909 1 20 . 1 1 20 20 GLY H H 20 7.960 7.960 7.592 0.368 25574 1910 1 20 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.324 -0.257 25574 1911 1 20 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.792 1.305 25574 1912 1 20 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.327 2.943 25574 1913 1 20 . 1 1 21 21 TYR H H 21 7.518 7.518 7.632 -0.114 25574 1914 1 20 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.505 0.059 25574 1915 1 20 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.907 -4.833 25574 1916 1 20 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.523 15.623 25574 1917 1 20 . 1 1 22 22 CYS H H 22 8.725 8.725 8.710 0.015 25574 1918 1 20 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.263 -0.255 25574 1919 1 20 . 1 1 23 23 GLY H H 23 8.751 8.751 8.659 0.092 25574 1920 1 20 . 1 1 24 24 SER HA H 24 5.091 5.091 4.719 0.372 25574 1921 1 20 . 1 1 24 24 SER CA C 24 56.600 56.600 56.153 0.447 25574 1922 1 20 . 1 1 24 24 SER CB C 24 65.722 65.722 64.497 1.225 25574 1923 1 20 . 1 1 24 24 SER H H 24 7.967 7.967 7.958 0.009 25574 1924 1 20 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.454 0.266 25574 1925 1 20 . 1 1 25 25 GLY H H 25 8.271 8.271 8.288 -0.017 25574 1926 1 20 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.452 -0.162 25574 1927 1 20 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.912 0.370 25574 1928 1 20 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.925 -0.021 25574 1929 1 20 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.317 -0.209 25574 1930 1 20 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.681 0.062 25574 1931 1 20 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.522 -0.583 25574 1932 1 20 . 1 1 27 27 ALA H H 27 8.685 8.685 8.511 0.174 25574 1933 1 20 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.733 -0.614 25574 1934 1 20 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.972 -8.208 25574 1935 1 20 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.270 0.894 25574 1936 1 20 . 1 1 28 28 TYR H H 28 7.708 7.708 7.552 0.156 25574 1937 1 20 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.571 -0.050 25574 1938 1 20 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.980 -4.998 25574 1939 1 20 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.764 14.294 25574 1940 1 20 . 1 1 29 29 CYS H H 29 8.470 8.470 8.226 0.244 25574 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 0 0.000 0.000 0.000 25574 2 1 1 "Average Difference" HA 35 0.472 0.045 0.477 25574 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25574 4 1 1 "Average Difference" CA 28 2.577 1.146 2.351 25574 5 1 1 "Average Difference" CB 21 8.669 -4.651 7.496 25574 6 1 1 "Average Difference" HN 27 0.388 -0.031 0.394 25574 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25574 8 1 2 "Average Difference" HA 35 0.485 0.054 0.489 25574 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25574 10 1 2 "Average Difference" CA 28 2.557 1.229 2.283 25574 11 1 2 "Average Difference" CB 21 8.578 -4.653 7.384 25574 12 1 2 "Average Difference" HN 27 0.613 0.083 0.619 25574 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25574 14 1 3 "Average Difference" HA 35 0.485 0.061 0.489 25574 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25574 16 1 3 "Average Difference" CA 28 2.563 1.173 2.321 25574 17 1 3 "Average Difference" CB 21 8.648 -4.698 7.439 25574 18 1 3 "Average Difference" HN 27 0.541 0.034 0.550 25574 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25574 20 1 4 "Average Difference" HA 35 0.454 0.044 0.458 25574 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25574 22 1 4 "Average Difference" CA 28 2.515 1.155 2.275 25574 23 1 4 "Average Difference" CB 21 8.707 -4.582 7.587 25574 24 1 4 "Average Difference" HN 27 0.384 -0.008 0.391 25574 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25574 26 1 5 "Average Difference" HA 35 0.472 0.064 0.474 25574 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25574 28 1 5 "Average Difference" CA 28 2.493 1.114 2.271 25574 29 1 5 "Average Difference" CB 21 8.649 -4.776 7.389 25574 30 1 5 "Average Difference" HN 27 0.417 -0.013 0.425 25574 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25574 32 1 6 "Average Difference" HA 35 0.504 0.050 0.509 25574 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25574 34 1 6 "Average Difference" CA 28 2.543 1.109 2.331 25574 35 1 6 "Average Difference" CB 21 8.741 -4.730 7.532 25574 36 1 6 "Average Difference" HN 27 0.627 0.059 0.636 25574 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25574 38 1 7 "Average Difference" HA 35 0.448 0.036 0.453 25574 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25574 40 1 7 "Average Difference" CA 28 2.519 1.171 2.272 25574 41 1 7 "Average Difference" CB 21 8.462 -4.473 7.360 25574 42 1 7 "Average Difference" HN 27 0.369 0.006 0.375 25574 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25574 44 1 8 "Average Difference" HA 35 0.465 0.064 0.467 25574 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25574 46 1 8 "Average Difference" CA 28 2.481 1.149 2.240 25574 47 1 8 "Average Difference" CB 21 8.698 -4.786 7.442 25574 48 1 8 "Average Difference" HN 27 0.570 0.050 0.578 25574 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25574 50 1 9 "Average Difference" HA 35 0.441 0.031 0.446 25574 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25574 52 1 9 "Average Difference" CA 28 2.486 1.233 2.198 25574 53 1 9 "Average Difference" CB 21 8.754 -4.677 7.583 25574 54 1 9 "Average Difference" HN 27 0.357 -0.030 0.362 25574 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25574 56 1 10 "Average Difference" HA 35 0.460 0.046 0.465 25574 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25574 58 1 10 "Average Difference" CA 28 2.586 1.109 2.380 25574 59 1 10 "Average Difference" CB 21 8.645 -4.625 7.484 25574 60 1 10 "Average Difference" HN 27 0.413 -0.039 0.419 25574 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25574 62 1 11 "Average Difference" HA 35 0.463 0.065 0.465 25574 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25574 64 1 11 "Average Difference" CA 28 2.534 1.098 2.325 25574 65 1 11 "Average Difference" CB 21 8.645 -4.509 7.558 25574 66 1 11 "Average Difference" HN 27 0.430 -0.015 0.438 25574 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25574 68 1 12 "Average Difference" HA 35 0.444 0.046 0.448 25574 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25574 70 1 12 "Average Difference" CA 28 2.483 1.052 2.291 25574 71 1 12 "Average Difference" CB 21 8.676 -4.631 7.518 25574 72 1 12 "Average Difference" HN 27 0.386 -0.015 0.394 25574 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25574 74 1 13 "Average Difference" HA 35 0.443 0.052 0.447 25574 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25574 76 1 13 "Average Difference" CA 28 2.540 1.171 2.295 25574 77 1 13 "Average Difference" CB 21 8.733 -4.621 7.593 25574 78 1 13 "Average Difference" HN 27 0.376 0.002 0.383 25574 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25574 80 1 14 "Average Difference" HA 35 0.445 0.044 0.449 25574 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25574 82 1 14 "Average Difference" CA 28 2.529 1.130 2.304 25574 83 1 14 "Average Difference" CB 21 8.720 -4.632 7.570 25574 84 1 14 "Average Difference" HN 27 0.370 -0.029 0.376 25574 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25574 86 1 15 "Average Difference" HA 35 0.441 0.055 0.444 25574 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25574 88 1 15 "Average Difference" CA 28 2.546 1.091 2.342 25574 89 1 15 "Average Difference" CB 21 8.653 -4.524 7.559 25574 90 1 15 "Average Difference" HN 27 0.391 -0.048 0.395 25574 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25574 92 1 16 "Average Difference" HA 35 0.467 0.069 0.469 25574 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25574 94 1 16 "Average Difference" CA 28 2.534 1.116 2.316 25574 95 1 16 "Average Difference" CB 21 8.697 -4.625 7.547 25574 96 1 16 "Average Difference" HN 27 0.409 -0.006 0.417 25574 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25574 98 1 17 "Average Difference" HA 35 0.452 0.076 0.452 25574 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25574 100 1 17 "Average Difference" CA 28 2.538 1.134 2.312 25574 101 1 17 "Average Difference" CB 21 8.655 -4.600 7.512 25574 102 1 17 "Average Difference" HN 27 0.376 -0.038 0.381 25574 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25574 104 1 18 "Average Difference" HA 35 0.465 0.055 0.469 25574 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25574 106 1 18 "Average Difference" CA 28 2.500 1.049 2.310 25574 107 1 18 "Average Difference" CB 21 8.726 -4.486 7.670 25574 108 1 18 "Average Difference" HN 27 0.409 -0.028 0.416 25574 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25574 110 1 19 "Average Difference" HA 35 0.464 0.074 0.465 25574 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25574 112 1 19 "Average Difference" CA 28 2.550 1.115 2.335 25574 113 1 19 "Average Difference" CB 21 8.497 -4.383 7.460 25574 114 1 19 "Average Difference" HN 27 0.381 -0.043 0.385 25574 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25574 116 1 20 "Average Difference" HA 35 0.441 0.053 0.445 25574 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25574 118 1 20 "Average Difference" CA 28 2.545 1.130 2.323 25574 119 1 20 "Average Difference" CB 21 8.543 -4.485 7.450 25574 120 1 20 "Average Difference" HN 27 0.402 -0.054 0.406 25574 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 25574 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.197 4.197 4.550 -0.353 25574 2 1 . 1 1 2 2 ALA CA C 2 52.165 52.165 52.773 -0.608 25574 3 1 . 1 1 2 2 ALA CB C 2 19.023 19.023 19.483 -0.460 25574 4 1 . 1 1 2 2 ALA H H 2 8.200 8.200 8.911 -0.711 25574 5 1 . 1 1 3 3 GLY CA C 3 44.833 44.833 44.733 0.100 25574 6 1 . 1 1 3 3 GLY H H 3 8.540 8.540 7.947 0.594 25574 7 1 . 1 1 4 4 GLN HA H 4 4.442 4.442 5.017 -0.575 25574 8 1 . 1 1 4 4 GLN CA C 4 55.826 55.826 55.536 0.290 25574 9 1 . 1 1 4 4 GLN CB C 4 30.318 30.318 30.352 -0.034 25574 10 1 . 1 1 4 4 GLN H H 4 8.298 8.298 8.468 -0.170 25574 11 1 . 1 1 5 5 CYS HA H 5 4.378 4.378 4.503 -0.125 25574 12 1 . 1 1 5 5 CYS CA C 5 54.848 54.848 59.359 -4.511 25574 13 1 . 1 1 5 5 CYS CB C 5 41.396 41.396 27.348 14.048 25574 14 1 . 1 1 5 5 CYS H H 5 7.699 7.699 8.439 -0.740 25574 15 1 . 1 1 6 6 TYR HA H 6 4.713 4.713 4.600 0.113 25574 16 1 . 1 1 6 6 TYR CA C 6 57.097 57.097 57.105 -0.008 25574 17 1 . 1 1 6 6 TYR CB C 6 38.913 38.913 39.633 -0.720 25574 18 1 . 1 1 6 6 TYR H H 6 8.716 8.716 8.696 0.020 25574 19 1 . 1 1 7 7 ARG HA H 7 3.641 3.641 3.871 -0.230 25574 20 1 . 1 1 7 7 ARG CA C 7 56.630 56.630 56.818 -0.188 25574 21 1 . 1 1 7 7 ARG CB C 7 27.555 27.555 28.720 -1.165 25574 22 1 . 1 1 7 7 ARG H H 7 9.072 9.072 9.145 -0.073 25574 23 1 . 1 1 8 8 GLY CA C 8 45.227 45.227 45.049 0.178 25574 24 1 . 1 1 8 8 GLY H H 8 8.249 8.249 8.483 -0.234 25574 25 1 . 1 1 9 9 ARG HA H 9 4.713 4.713 4.675 0.038 25574 26 1 . 1 1 9 9 ARG CA C 9 54.864 54.864 55.167 -0.303 25574 27 1 . 1 1 9 9 ARG CB C 9 33.260 33.260 33.049 0.211 25574 28 1 . 1 1 9 9 ARG H H 9 7.816 7.816 7.772 0.044 25574 29 1 . 1 1 10 10 CYS HA H 10 4.986 4.986 4.871 0.115 25574 30 1 . 1 1 10 10 CYS CA C 10 54.466 54.466 58.111 -3.645 25574 31 1 . 1 1 10 10 CYS CB C 10 46.281 46.281 29.703 16.578 25574 32 1 . 1 1 10 10 CYS H H 10 8.618 8.618 8.769 -0.151 25574 33 1 . 1 1 11 11 SER HA H 11 4.597 4.597 4.519 0.078 25574 34 1 . 1 1 11 11 SER CA C 11 57.879 57.879 58.514 -0.635 25574 35 1 . 1 1 11 11 SER CB C 11 64.063 64.063 64.215 -0.152 25574 36 1 . 1 1 11 11 SER H H 11 8.610 8.610 8.610 0.000 25574 37 1 . 1 1 12 12 GLY CA C 12 46.644 46.644 45.813 0.831 25574 38 1 . 1 1 12 12 GLY H H 12 8.618 8.618 8.791 -0.173 25574 39 1 . 1 1 13 13 GLY CA C 13 44.986 44.986 45.063 -0.077 25574 40 1 . 1 1 13 13 GLY H H 13 8.620 8.620 8.182 0.438 25574 41 1 . 1 1 14 14 LEU HA H 14 4.283 4.283 4.455 -0.172 25574 42 1 . 1 1 14 14 LEU CA C 14 54.306 54.306 54.663 -0.357 25574 43 1 . 1 1 14 14 LEU CB C 14 42.029 42.029 43.671 -1.642 25574 44 1 . 1 1 14 14 LEU H H 14 7.063 7.063 7.775 -0.712 25574 45 1 . 1 1 15 15 CYS HA H 15 4.442 4.442 4.781 -0.339 25574 46 1 . 1 1 15 15 CYS CA C 15 54.052 54.052 58.381 -4.329 25574 47 1 . 1 1 15 15 CYS CB C 15 50.309 50.309 30.088 20.221 25574 48 1 . 1 1 15 15 CYS H H 15 9.046 9.046 8.547 0.499 25574 49 1 . 1 1 16 16 CYS HA H 16 4.800 4.800 4.790 0.010 25574 50 1 . 1 1 16 16 CYS CA C 16 55.835 55.835 58.133 -2.298 25574 51 1 . 1 1 16 16 CYS CB C 16 41.284 41.284 26.400 14.884 25574 52 1 . 1 1 16 16 CYS H H 16 8.685 8.685 8.720 -0.035 25574 53 1 . 1 1 17 17 SER HA H 17 4.892 4.892 4.377 0.515 25574 54 1 . 1 1 17 17 SER CA C 17 57.178 57.178 57.788 -0.610 25574 55 1 . 1 1 17 17 SER CB C 17 66.501 66.501 64.932 1.569 25574 56 1 . 1 1 17 17 SER H H 17 9.830 9.830 8.655 1.174 25574 57 1 . 1 1 18 18 LYS HA H 18 4.021 4.021 4.116 -0.095 25574 58 1 . 1 1 18 18 LYS CA C 18 57.853 57.853 58.059 -0.206 25574 59 1 . 1 1 18 18 LYS CB C 18 31.323 31.323 32.060 -0.737 25574 60 1 . 1 1 18 18 LYS H H 18 8.916 8.916 8.831 0.085 25574 61 1 . 1 1 19 19 TYR HA H 19 4.627 4.627 4.462 0.165 25574 62 1 . 1 1 19 19 TYR CA C 19 56.866 56.866 57.903 -1.037 25574 63 1 . 1 1 19 19 TYR CB C 19 38.390 38.390 38.583 -0.193 25574 64 1 . 1 1 19 19 TYR H H 19 7.406 7.406 7.569 -0.163 25574 65 1 . 1 1 20 20 GLY CA C 20 46.476 46.476 45.336 1.140 25574 66 1 . 1 1 20 20 GLY H H 20 7.960 7.960 7.680 0.280 25574 67 1 . 1 1 21 21 TYR HA H 21 5.067 5.067 5.472 -0.405 25574 68 1 . 1 1 21 21 TYR CA C 21 57.097 57.097 55.686 1.411 25574 69 1 . 1 1 21 21 TYR CB C 21 42.270 42.270 39.334 2.936 25574 70 1 . 1 1 21 21 TYR H H 21 7.518 7.518 7.681 -0.163 25574 71 1 . 1 1 22 22 CYS HA H 22 5.564 5.564 5.519 0.045 25574 72 1 . 1 1 22 22 CYS CA C 22 54.074 54.074 58.740 -4.666 25574 73 1 . 1 1 22 22 CYS CB C 22 43.146 43.146 27.550 15.596 25574 74 1 . 1 1 22 22 CYS H H 22 8.725 8.725 8.830 -0.105 25574 75 1 . 1 1 23 23 GLY CA C 23 45.008 45.008 45.370 -0.362 25574 76 1 . 1 1 23 23 GLY H H 23 8.751 8.751 8.807 -0.056 25574 77 1 . 1 1 24 24 SER HA H 24 5.091 5.091 4.709 0.382 25574 78 1 . 1 1 24 24 SER CA C 24 56.600 56.600 56.207 0.393 25574 79 1 . 1 1 24 24 SER CB C 24 65.722 65.722 64.543 1.179 25574 80 1 . 1 1 24 24 SER H H 24 7.967 7.967 7.967 0.000 25574 81 1 . 1 1 25 25 GLY CA C 25 44.720 44.720 44.455 0.265 25574 82 1 . 1 1 25 25 GLY H H 25 8.271 8.271 8.273 -0.002 25574 83 1 . 1 1 26 26 PRO HA H 26 4.290 4.290 4.452 -0.162 25574 84 1 . 1 1 26 26 PRO CA C 26 65.282 65.282 64.909 0.373 25574 85 1 . 1 1 26 26 PRO CB C 26 31.904 31.904 31.924 -0.020 25574 86 1 . 1 1 27 27 ALA HA H 27 4.108 4.108 4.321 -0.213 25574 87 1 . 1 1 27 27 ALA CA C 27 53.743 53.743 53.634 0.109 25574 88 1 . 1 1 27 27 ALA CB C 27 17.939 17.939 18.510 -0.571 25574 89 1 . 1 1 27 27 ALA H H 27 8.685 8.685 8.504 0.181 25574 90 1 . 1 1 28 28 TYR HA H 28 4.119 4.119 4.728 -0.609 25574 91 1 . 1 1 28 28 TYR CA C 28 51.764 51.764 59.928 -8.164 25574 92 1 . 1 1 28 28 TYR CB C 28 41.164 41.164 40.258 0.906 25574 93 1 . 1 1 28 28 TYR H H 28 7.708 7.708 7.551 0.157 25574 94 1 . 1 1 29 29 CYS HA H 29 4.521 4.521 4.590 -0.069 25574 95 1 . 1 1 29 29 CYS CA C 29 54.982 54.982 59.811 -4.829 25574 96 1 . 1 1 29 29 CYS CB C 29 43.058 43.058 28.735 14.323 25574 97 1 . 1 1 29 29 CYS H H 29 8.470 8.470 8.236 0.234 25574 stop_ save_