data_18043 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18043 _Entry.PDB_ID 2LLD 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 18043 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR HA H 2 4.818 4.818 4.803 0.015 18043 2 1 1 . 1 1 2 2 THR CB C 2 69.477 69.477 70.580 -1.103 18043 3 1 1 . 1 1 2 2 THR H H 2 8.533 8.533 7.995 0.538 18043 4 1 1 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.643 0.127 18043 5 1 1 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.745 14.787 18043 6 1 1 . 1 1 3 3 CYS H H 3 8.336 8.336 8.779 -0.443 18043 7 1 1 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.636 -0.025 18043 8 1 1 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.223 -1.101 18043 9 1 1 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.814 -0.206 18043 10 1 1 . 1 1 4 4 ASP H H 4 8.225 8.225 7.881 0.344 18043 11 1 1 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.841 -0.545 18043 12 1 1 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.473 1.204 18043 13 1 1 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.492 0.560 18043 14 1 1 . 1 1 5 5 LEU H H 5 8.383 8.383 8.403 -0.020 18043 15 1 1 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.217 0.210 18043 16 1 1 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.716 -1.699 18043 17 1 1 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.077 0.031 18043 18 1 1 . 1 1 6 6 LEU H H 6 8.297 8.297 8.094 0.203 18043 19 1 1 . 1 1 7 7 SER HA H 7 4.455 4.455 4.463 -0.008 18043 20 1 1 . 1 1 7 7 SER CA C 7 58.540 58.540 58.338 0.202 18043 21 1 1 . 1 1 7 7 SER CB C 7 63.927 63.927 63.527 0.400 18043 22 1 1 . 1 1 7 7 SER H H 7 8.176 8.176 8.406 -0.230 18043 23 1 1 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.821 0.604 18043 24 1 1 . 1 1 8 8 GLY H H 8 8.489 8.489 7.582 0.907 18043 25 1 1 . 1 1 9 9 THR HA H 9 4.362 4.362 4.067 0.295 18043 26 1 1 . 1 1 9 9 THR CA C 9 62.238 62.238 63.003 -0.765 18043 27 1 1 . 1 1 9 9 THR CB C 9 69.659 69.659 69.255 0.404 18043 28 1 1 . 1 1 9 9 THR H H 9 8.212 8.212 8.318 -0.106 18043 29 1 1 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.336 0.098 18043 30 1 1 . 1 1 10 10 GLY H H 10 8.517 8.517 8.541 -0.024 18043 31 1 1 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.680 0.436 18043 32 1 1 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.519 -1.989 18043 33 1 1 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.814 0.664 18043 34 1 1 . 1 1 11 11 VAL H H 11 7.925 7.925 7.947 -0.022 18043 35 1 1 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.206 0.063 18043 36 1 1 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.862 0.937 18043 37 1 1 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.174 1.669 18043 38 1 1 . 1 1 12 12 LYS H H 12 8.354 8.354 8.155 0.199 18043 39 1 1 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.347 0.434 18043 40 1 1 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.821 0.632 18043 41 1 1 . 1 1 13 13 HIS H H 13 8.412 8.412 8.855 -0.443 18043 42 1 1 . 1 1 14 14 SER HA H 14 4.444 4.444 4.170 0.274 18043 43 1 1 . 1 1 14 14 SER CA C 14 59.475 59.475 60.254 -0.779 18043 44 1 1 . 1 1 14 14 SER CB C 14 63.530 63.530 62.577 0.953 18043 45 1 1 . 1 1 14 14 SER H H 14 8.260 8.260 8.393 -0.133 18043 46 1 1 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.094 0.260 18043 47 1 1 . 1 1 15 15 ALA CA C 15 54.484 54.484 54.983 -0.499 18043 48 1 1 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.011 0.236 18043 49 1 1 . 1 1 15 15 ALA H H 15 8.648 8.648 8.191 0.457 18043 50 1 1 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.233 0.268 18043 51 1 1 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.527 -4.410 18043 52 1 1 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.249 10.552 18043 53 1 1 . 1 1 16 16 CYS H H 16 8.496 8.496 8.030 0.466 18043 54 1 1 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.075 -0.410 18043 55 1 1 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.102 1.109 18043 56 1 1 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.285 -0.525 18043 57 1 1 . 1 1 17 17 ALA H H 17 8.445 8.445 7.502 0.943 18043 58 1 1 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.909 0.173 18043 59 1 1 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.138 0.084 18043 60 1 1 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.324 -0.181 18043 61 1 1 . 1 1 18 18 ALA H H 18 8.037 8.037 8.052 -0.015 18043 62 1 1 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.299 0.053 18043 63 1 1 . 1 1 19 19 HIS CA C 19 58.878 58.878 58.926 -0.048 18043 64 1 1 . 1 1 19 19 HIS CB C 19 28.542 28.542 30.062 -1.520 18043 65 1 1 . 1 1 19 19 HIS H H 19 8.124 8.124 8.138 -0.014 18043 66 1 1 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.335 0.107 18043 67 1 1 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.785 0.037 18043 68 1 1 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.884 0.053 18043 69 1 1 . 1 1 21 21 LEU H H 21 8.597 8.597 8.282 0.315 18043 70 1 1 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.085 0.094 18043 71 1 1 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.749 0.532 18043 72 1 1 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.600 0.254 18043 73 1 1 . 1 1 22 22 LEU H H 22 7.717 7.717 8.220 -0.503 18043 74 1 1 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.493 -0.108 18043 75 1 1 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.450 -0.150 18043 76 1 1 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.660 -0.476 18043 77 1 1 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.374 0.082 18043 78 1 1 . 1 1 24 24 GLY H H 24 7.865 7.865 8.301 -0.436 18043 79 1 1 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.913 0.289 18043 80 1 1 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.108 0.701 18043 81 1 1 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.652 0.784 18043 82 1 1 . 1 1 25 25 ASN H H 25 7.874 7.874 7.710 0.164 18043 83 1 1 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.221 0.116 18043 84 1 1 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.713 0.304 18043 85 1 1 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.608 1.391 18043 86 1 1 . 1 1 26 26 ARG H H 26 8.356 8.356 8.618 -0.262 18043 87 1 1 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.523 0.309 18043 88 1 1 . 1 1 27 27 GLY H H 27 7.764 7.764 7.549 0.215 18043 89 1 1 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.384 2.676 18043 90 1 1 . 1 1 28 28 GLY H H 28 8.290 8.290 8.079 0.211 18043 91 1 1 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.107 -0.319 18043 92 1 1 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.450 0.187 18043 93 1 1 . 1 1 29 29 TYR H H 29 8.835 8.835 8.176 0.659 18043 94 1 1 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.352 -0.244 18043 95 1 1 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.747 -2.657 18043 96 1 1 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.014 14.688 18043 97 1 1 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.906 0.014 18043 98 1 1 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.629 -0.972 18043 99 1 1 . 1 1 31 31 ASN H H 31 8.859 8.859 8.910 -0.051 18043 100 1 1 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.024 0.396 18043 101 1 1 . 1 1 32 32 GLY H H 32 8.638 8.638 8.790 -0.152 18043 102 1 1 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.421 0.040 18043 103 1 1 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.097 -0.103 18043 104 1 1 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.918 -0.085 18043 105 1 1 . 1 1 33 33 ARG H H 33 7.714 7.714 7.572 0.142 18043 106 1 1 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.877 -0.068 18043 107 1 1 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.825 0.527 18043 108 1 1 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.512 -1.062 18043 109 1 1 . 1 1 34 34 ALA H H 34 8.306 8.306 7.828 0.478 18043 110 1 1 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.240 -0.105 18043 111 1 1 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.146 -0.975 18043 112 1 1 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.804 -0.937 18043 113 1 1 . 1 1 35 35 ILE H H 35 7.512 7.512 7.401 0.111 18043 114 1 1 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.114 -0.420 18043 115 1 1 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.720 8.043 18043 116 1 1 . 1 1 36 36 CYS H H 36 8.476 8.476 8.413 0.063 18043 117 1 1 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.193 -0.209 18043 118 1 1 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.714 0.820 18043 119 1 1 . 1 1 37 37 VAL H H 37 9.182 9.182 8.889 0.293 18043 120 1 1 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.586 0.854 18043 121 1 1 . 1 1 38 38 CYS CA C 38 52.075 52.075 58.994 -6.919 18043 122 1 1 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.945 9.485 18043 123 1 1 . 1 1 38 38 CYS H H 38 8.620 8.620 8.883 -0.263 18043 124 1 1 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.509 0.111 18043 125 1 1 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.576 0.999 18043 126 1 1 . 1 1 39 39 ARG H H 39 8.525 8.525 8.799 -0.274 18043 127 1 2 . 1 1 2 2 THR HA H 2 4.818 4.818 4.876 -0.058 18043 128 1 2 . 1 1 2 2 THR CB C 2 69.477 69.477 70.526 -1.049 18043 129 1 2 . 1 1 2 2 THR H H 2 8.533 8.533 8.152 0.381 18043 130 1 2 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.672 0.098 18043 131 1 2 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.601 14.931 18043 132 1 2 . 1 1 3 3 CYS H H 3 8.336 8.336 8.716 -0.380 18043 133 1 2 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.581 0.030 18043 134 1 2 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.007 -0.885 18043 135 1 2 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.913 -0.305 18043 136 1 2 . 1 1 4 4 ASP H H 4 8.225 8.225 7.761 0.464 18043 137 1 2 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.782 -0.486 18043 138 1 2 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.361 1.316 18043 139 1 2 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.681 0.371 18043 140 1 2 . 1 1 5 5 LEU H H 5 8.383 8.383 8.344 0.039 18043 141 1 2 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.171 0.256 18043 142 1 2 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.864 -1.847 18043 143 1 2 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.033 0.075 18043 144 1 2 . 1 1 6 6 LEU H H 6 8.297 8.297 8.078 0.219 18043 145 1 2 . 1 1 7 7 SER HA H 7 4.455 4.455 4.468 -0.013 18043 146 1 2 . 1 1 7 7 SER CA C 7 58.540 58.540 58.326 0.214 18043 147 1 2 . 1 1 7 7 SER CB C 7 63.927 63.927 63.097 0.830 18043 148 1 2 . 1 1 7 7 SER H H 7 8.176 8.176 8.352 -0.176 18043 149 1 2 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.825 0.600 18043 150 1 2 . 1 1 8 8 GLY H H 8 8.489 8.489 7.576 0.913 18043 151 1 2 . 1 1 9 9 THR HA H 9 4.362 4.362 4.063 0.299 18043 152 1 2 . 1 1 9 9 THR CA C 9 62.238 62.238 62.984 -0.746 18043 153 1 2 . 1 1 9 9 THR CB C 9 69.659 69.659 69.252 0.407 18043 154 1 2 . 1 1 9 9 THR H H 9 8.212 8.212 8.313 -0.101 18043 155 1 2 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.314 0.120 18043 156 1 2 . 1 1 10 10 GLY H H 10 8.517 8.517 8.540 -0.023 18043 157 1 2 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.628 0.488 18043 158 1 2 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.232 -1.702 18043 159 1 2 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.738 0.740 18043 160 1 2 . 1 1 11 11 VAL H H 11 7.925 7.925 7.918 0.007 18043 161 1 2 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.147 0.122 18043 162 1 2 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.918 0.881 18043 163 1 2 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.048 1.795 18043 164 1 2 . 1 1 12 12 LYS H H 12 8.354 8.354 8.130 0.224 18043 165 1 2 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.360 0.421 18043 166 1 2 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.748 0.705 18043 167 1 2 . 1 1 13 13 HIS H H 13 8.412 8.412 8.690 -0.278 18043 168 1 2 . 1 1 14 14 SER HA H 14 4.444 4.444 4.158 0.286 18043 169 1 2 . 1 1 14 14 SER CA C 14 59.475 59.475 60.239 -0.764 18043 170 1 2 . 1 1 14 14 SER CB C 14 63.530 63.530 62.496 1.034 18043 171 1 2 . 1 1 14 14 SER H H 14 8.260 8.260 8.374 -0.114 18043 172 1 2 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.096 0.258 18043 173 1 2 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.063 -0.579 18043 174 1 2 . 1 1 15 15 ALA CB C 15 18.247 18.247 17.994 0.253 18043 175 1 2 . 1 1 15 15 ALA H H 15 8.648 8.648 8.164 0.484 18043 176 1 2 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.145 0.356 18043 177 1 2 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.986 -4.869 18043 178 1 2 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.463 10.338 18043 179 1 2 . 1 1 16 16 CYS H H 16 8.496 8.496 7.909 0.587 18043 180 1 2 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.037 -0.372 18043 181 1 2 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.088 1.123 18043 182 1 2 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.273 -0.513 18043 183 1 2 . 1 1 17 17 ALA H H 17 8.445 8.445 8.132 0.313 18043 184 1 2 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.924 0.158 18043 185 1 2 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.101 0.121 18043 186 1 2 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.354 -0.211 18043 187 1 2 . 1 1 18 18 ALA H H 18 8.037 8.037 8.237 -0.200 18043 188 1 2 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.271 0.081 18043 189 1 2 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.131 -1.253 18043 190 1 2 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.892 -1.350 18043 191 1 2 . 1 1 19 19 HIS H H 19 8.124 8.124 8.266 -0.142 18043 192 1 2 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.315 0.127 18043 193 1 2 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.745 0.077 18043 194 1 2 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.828 0.110 18043 195 1 2 . 1 1 21 21 LEU H H 21 8.597 8.597 8.181 0.416 18043 196 1 2 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.029 0.150 18043 197 1 2 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.792 0.489 18043 198 1 2 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.513 0.341 18043 199 1 2 . 1 1 22 22 LEU H H 22 7.717 7.717 8.147 -0.430 18043 200 1 2 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.361 0.024 18043 201 1 2 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.644 -0.343 18043 202 1 2 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.503 -0.319 18043 203 1 2 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.231 0.225 18043 204 1 2 . 1 1 24 24 GLY H H 24 7.865 7.865 8.228 -0.363 18043 205 1 2 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.919 0.283 18043 206 1 2 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.359 0.450 18043 207 1 2 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.631 0.805 18043 208 1 2 . 1 1 25 25 ASN H H 25 7.874 7.874 7.699 0.175 18043 209 1 2 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.208 0.129 18043 210 1 2 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.618 0.399 18043 211 1 2 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.705 1.294 18043 212 1 2 . 1 1 26 26 ARG H H 26 8.356 8.356 8.753 -0.397 18043 213 1 2 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.525 0.307 18043 214 1 2 . 1 1 27 27 GLY H H 27 7.764 7.764 7.550 0.214 18043 215 1 2 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.290 2.770 18043 216 1 2 . 1 1 28 28 GLY H H 28 8.290 8.290 8.083 0.207 18043 217 1 2 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.113 -0.325 18043 218 1 2 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.434 0.203 18043 219 1 2 . 1 1 29 29 TYR H H 29 8.835 8.835 8.216 0.619 18043 220 1 2 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.313 -0.205 18043 221 1 2 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.566 -2.476 18043 222 1 2 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.338 14.364 18043 223 1 2 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.980 -0.060 18043 224 1 2 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.451 -0.794 18043 225 1 2 . 1 1 31 31 ASN H H 31 8.859 8.859 8.860 -0.001 18043 226 1 2 . 1 1 32 32 GLY CA C 32 46.420 46.420 45.984 0.436 18043 227 1 2 . 1 1 32 32 GLY H H 32 8.638 8.638 8.781 -0.143 18043 228 1 2 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.402 0.059 18043 229 1 2 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.120 -0.125 18043 230 1 2 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.915 -0.082 18043 231 1 2 . 1 1 33 33 ARG H H 33 7.714 7.714 7.585 0.129 18043 232 1 2 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.889 -0.080 18043 233 1 2 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.817 0.534 18043 234 1 2 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.456 -1.006 18043 235 1 2 . 1 1 34 34 ALA H H 34 8.306 8.306 7.815 0.491 18043 236 1 2 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.414 -0.279 18043 237 1 2 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.968 -0.797 18043 238 1 2 . 1 1 35 35 ILE CB C 35 38.867 38.867 40.090 -1.222 18043 239 1 2 . 1 1 35 35 ILE H H 35 7.512 7.512 7.393 0.119 18043 240 1 2 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.065 -0.371 18043 241 1 2 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.623 8.140 18043 242 1 2 . 1 1 36 36 CYS H H 36 8.476 8.476 8.373 0.103 18043 243 1 2 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.228 -0.244 18043 244 1 2 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.728 0.806 18043 245 1 2 . 1 1 37 37 VAL H H 37 9.182 9.182 8.934 0.248 18043 246 1 2 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.611 0.829 18043 247 1 2 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.103 -7.028 18043 248 1 2 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.949 9.481 18043 249 1 2 . 1 1 38 38 CYS H H 38 8.620 8.620 8.941 -0.321 18043 250 1 2 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.566 0.054 18043 251 1 2 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.723 0.852 18043 252 1 2 . 1 1 39 39 ARG H H 39 8.525 8.525 8.827 -0.302 18043 253 1 3 . 1 1 2 2 THR HA H 2 4.818 4.818 4.769 0.049 18043 254 1 3 . 1 1 2 2 THR CB C 2 69.477 69.477 70.367 -0.890 18043 255 1 3 . 1 1 2 2 THR H H 2 8.533 8.533 8.158 0.375 18043 256 1 3 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.571 0.199 18043 257 1 3 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.667 14.865 18043 258 1 3 . 1 1 3 3 CYS H H 3 8.336 8.336 8.839 -0.503 18043 259 1 3 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.582 0.029 18043 260 1 3 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.896 -0.774 18043 261 1 3 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.169 -0.561 18043 262 1 3 . 1 1 4 4 ASP H H 4 8.225 8.225 7.924 0.301 18043 263 1 3 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.661 -0.365 18043 264 1 3 . 1 1 5 5 LEU CA C 5 55.677 55.677 53.997 1.680 18043 265 1 3 . 1 1 5 5 LEU CB C 5 42.052 42.052 40.472 1.580 18043 266 1 3 . 1 1 5 5 LEU H H 5 8.383 8.383 8.526 -0.143 18043 267 1 3 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.217 0.210 18043 268 1 3 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.489 -1.472 18043 269 1 3 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.227 -0.119 18043 270 1 3 . 1 1 6 6 LEU H H 6 8.297 8.297 7.416 0.881 18043 271 1 3 . 1 1 7 7 SER HA H 7 4.455 4.455 4.429 0.026 18043 272 1 3 . 1 1 7 7 SER CA C 7 58.540 58.540 58.125 0.415 18043 273 1 3 . 1 1 7 7 SER CB C 7 63.927 63.927 63.532 0.395 18043 274 1 3 . 1 1 7 7 SER H H 7 8.176 8.176 8.479 -0.303 18043 275 1 3 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.773 0.652 18043 276 1 3 . 1 1 8 8 GLY H H 8 8.489 8.489 7.501 0.988 18043 277 1 3 . 1 1 9 9 THR HA H 9 4.362 4.362 4.047 0.315 18043 278 1 3 . 1 1 9 9 THR CA C 9 62.238 62.238 63.028 -0.790 18043 279 1 3 . 1 1 9 9 THR CB C 9 69.659 69.659 69.132 0.527 18043 280 1 3 . 1 1 9 9 THR H H 9 8.212 8.212 8.368 -0.156 18043 281 1 3 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.478 -0.044 18043 282 1 3 . 1 1 10 10 GLY H H 10 8.517 8.517 8.687 -0.170 18043 283 1 3 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.644 0.472 18043 284 1 3 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.884 -2.354 18043 285 1 3 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.844 0.634 18043 286 1 3 . 1 1 11 11 VAL H H 11 7.925 7.925 7.937 -0.012 18043 287 1 3 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.234 0.035 18043 288 1 3 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.883 0.916 18043 289 1 3 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.434 2.409 18043 290 1 3 . 1 1 12 12 LYS H H 12 8.354 8.354 8.246 0.108 18043 291 1 3 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.509 0.272 18043 292 1 3 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.771 0.682 18043 293 1 3 . 1 1 13 13 HIS H H 13 8.412 8.412 8.452 -0.040 18043 294 1 3 . 1 1 14 14 SER HA H 14 4.444 4.444 4.161 0.283 18043 295 1 3 . 1 1 14 14 SER CA C 14 59.475 59.475 60.336 -0.861 18043 296 1 3 . 1 1 14 14 SER CB C 14 63.530 63.530 62.666 0.864 18043 297 1 3 . 1 1 14 14 SER H H 14 8.260 8.260 8.392 -0.132 18043 298 1 3 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.100 0.254 18043 299 1 3 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.070 -0.586 18043 300 1 3 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.015 0.232 18043 301 1 3 . 1 1 15 15 ALA H H 15 8.648 8.648 8.110 0.538 18043 302 1 3 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.130 0.371 18043 303 1 3 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.593 -4.476 18043 304 1 3 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.364 10.437 18043 305 1 3 . 1 1 16 16 CYS H H 16 8.496 8.496 7.824 0.672 18043 306 1 3 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.044 -0.379 18043 307 1 3 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.063 1.148 18043 308 1 3 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.334 -0.574 18043 309 1 3 . 1 1 17 17 ALA H H 17 8.445 8.445 7.769 0.676 18043 310 1 3 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.922 0.160 18043 311 1 3 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.083 0.139 18043 312 1 3 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.349 -0.206 18043 313 1 3 . 1 1 18 18 ALA H H 18 8.037 8.037 8.284 -0.247 18043 314 1 3 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.280 0.072 18043 315 1 3 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.891 -1.013 18043 316 1 3 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.821 -1.279 18043 317 1 3 . 1 1 19 19 HIS H H 19 8.124 8.124 8.296 -0.172 18043 318 1 3 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.293 0.149 18043 319 1 3 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.805 0.017 18043 320 1 3 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.856 0.081 18043 321 1 3 . 1 1 21 21 LEU H H 21 8.597 8.597 8.256 0.341 18043 322 1 3 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.030 0.149 18043 323 1 3 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.704 0.577 18043 324 1 3 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.482 0.372 18043 325 1 3 . 1 1 22 22 LEU H H 22 7.717 7.717 8.026 -0.309 18043 326 1 3 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.423 -0.038 18043 327 1 3 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.441 -0.140 18043 328 1 3 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.584 -0.400 18043 329 1 3 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.339 0.117 18043 330 1 3 . 1 1 24 24 GLY H H 24 7.865 7.865 8.277 -0.412 18043 331 1 3 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.866 0.336 18043 332 1 3 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.522 0.287 18043 333 1 3 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.549 0.887 18043 334 1 3 . 1 1 25 25 ASN H H 25 7.874 7.874 7.526 0.348 18043 335 1 3 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.201 0.136 18043 336 1 3 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.732 0.285 18043 337 1 3 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.757 1.242 18043 338 1 3 . 1 1 26 26 ARG H H 26 8.356 8.356 8.767 -0.411 18043 339 1 3 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.503 0.329 18043 340 1 3 . 1 1 27 27 GLY H H 27 7.764 7.764 7.541 0.223 18043 341 1 3 . 1 1 28 28 GLY CA C 28 47.060 47.060 43.913 3.147 18043 342 1 3 . 1 1 28 28 GLY H H 28 8.290 8.290 8.093 0.197 18043 343 1 3 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.113 -0.325 18043 344 1 3 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.509 0.128 18043 345 1 3 . 1 1 29 29 TYR H H 29 8.835 8.835 8.304 0.531 18043 346 1 3 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.400 -0.292 18043 347 1 3 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.662 -2.572 18043 348 1 3 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.114 14.588 18043 349 1 3 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.881 0.039 18043 350 1 3 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.592 -0.935 18043 351 1 3 . 1 1 31 31 ASN H H 31 8.859 8.859 8.821 0.038 18043 352 1 3 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.077 0.343 18043 353 1 3 . 1 1 32 32 GLY H H 32 8.638 8.638 8.801 -0.163 18043 354 1 3 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.415 0.046 18043 355 1 3 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.122 -0.127 18043 356 1 3 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.900 -0.067 18043 357 1 3 . 1 1 33 33 ARG H H 33 7.714 7.714 7.574 0.140 18043 358 1 3 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.884 -0.075 18043 359 1 3 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.778 0.573 18043 360 1 3 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.408 -0.958 18043 361 1 3 . 1 1 34 34 ALA H H 34 8.306 8.306 7.927 0.379 18043 362 1 3 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.261 -0.126 18043 363 1 3 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.967 -0.796 18043 364 1 3 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.983 -1.116 18043 365 1 3 . 1 1 35 35 ILE H H 35 7.512 7.512 7.386 0.126 18043 366 1 3 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.024 -0.330 18043 367 1 3 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.256 8.508 18043 368 1 3 . 1 1 36 36 CYS H H 36 8.476 8.476 8.318 0.158 18043 369 1 3 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.219 -0.235 18043 370 1 3 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.677 0.857 18043 371 1 3 . 1 1 37 37 VAL H H 37 9.182 9.182 8.909 0.273 18043 372 1 3 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.568 0.872 18043 373 1 3 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.145 -7.070 18043 374 1 3 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.840 9.590 18043 375 1 3 . 1 1 38 38 CYS H H 38 8.620 8.620 8.928 -0.308 18043 376 1 3 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.564 0.056 18043 377 1 3 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.662 0.913 18043 378 1 3 . 1 1 39 39 ARG H H 39 8.525 8.525 8.827 -0.302 18043 379 1 4 . 1 1 2 2 THR HA H 2 4.818 4.818 4.889 -0.071 18043 380 1 4 . 1 1 2 2 THR CB C 2 69.477 69.477 70.467 -0.990 18043 381 1 4 . 1 1 2 2 THR H H 2 8.533 8.533 8.118 0.415 18043 382 1 4 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.632 0.138 18043 383 1 4 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.683 14.849 18043 384 1 4 . 1 1 3 3 CYS H H 3 8.336 8.336 8.684 -0.348 18043 385 1 4 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.559 0.052 18043 386 1 4 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.083 -0.961 18043 387 1 4 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.880 -0.272 18043 388 1 4 . 1 1 4 4 ASP H H 4 8.225 8.225 7.754 0.471 18043 389 1 4 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.794 -0.498 18043 390 1 4 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.359 1.318 18043 391 1 4 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.687 0.365 18043 392 1 4 . 1 1 5 5 LEU H H 5 8.383 8.383 8.338 0.045 18043 393 1 4 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.184 0.243 18043 394 1 4 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.514 -1.498 18043 395 1 4 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.042 0.066 18043 396 1 4 . 1 1 6 6 LEU H H 6 8.297 8.297 7.925 0.372 18043 397 1 4 . 1 1 7 7 SER HA H 7 4.455 4.455 4.410 0.045 18043 398 1 4 . 1 1 7 7 SER CA C 7 58.540 58.540 58.483 0.057 18043 399 1 4 . 1 1 7 7 SER CB C 7 63.927 63.927 63.305 0.622 18043 400 1 4 . 1 1 7 7 SER H H 7 8.176 8.176 8.195 -0.019 18043 401 1 4 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.803 0.622 18043 402 1 4 . 1 1 8 8 GLY H H 8 8.489 8.489 7.563 0.926 18043 403 1 4 . 1 1 9 9 THR HA H 9 4.362 4.362 4.045 0.317 18043 404 1 4 . 1 1 9 9 THR CA C 9 62.238 62.238 63.035 -0.797 18043 405 1 4 . 1 1 9 9 THR CB C 9 69.659 69.659 69.206 0.453 18043 406 1 4 . 1 1 9 9 THR H H 9 8.212 8.212 8.295 -0.083 18043 407 1 4 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.320 0.114 18043 408 1 4 . 1 1 10 10 GLY H H 10 8.517 8.517 8.529 -0.012 18043 409 1 4 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.646 0.470 18043 410 1 4 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.524 -1.994 18043 411 1 4 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.806 0.672 18043 412 1 4 . 1 1 11 11 VAL H H 11 7.925 7.925 7.944 -0.019 18043 413 1 4 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.261 0.008 18043 414 1 4 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.139 0.660 18043 415 1 4 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.721 1.122 18043 416 1 4 . 1 1 12 12 LYS H H 12 8.354 8.354 8.044 0.310 18043 417 1 4 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.349 0.432 18043 418 1 4 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.710 0.743 18043 419 1 4 . 1 1 13 13 HIS H H 13 8.412 8.412 8.888 -0.476 18043 420 1 4 . 1 1 14 14 SER HA H 14 4.444 4.444 4.158 0.286 18043 421 1 4 . 1 1 14 14 SER CA C 14 59.475 59.475 60.231 -0.756 18043 422 1 4 . 1 1 14 14 SER CB C 14 63.530 63.530 62.535 0.995 18043 423 1 4 . 1 1 14 14 SER H H 14 8.260 8.260 8.374 -0.114 18043 424 1 4 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.099 0.255 18043 425 1 4 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.037 -0.553 18043 426 1 4 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.012 0.235 18043 427 1 4 . 1 1 15 15 ALA H H 15 8.648 8.648 8.241 0.407 18043 428 1 4 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.147 0.354 18043 429 1 4 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.945 -4.828 18043 430 1 4 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.467 10.334 18043 431 1 4 . 1 1 16 16 CYS H H 16 8.496 8.496 7.935 0.561 18043 432 1 4 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.037 -0.372 18043 433 1 4 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.073 1.138 18043 434 1 4 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.267 -0.507 18043 435 1 4 . 1 1 17 17 ALA H H 17 8.445 8.445 8.111 0.334 18043 436 1 4 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.919 0.163 18043 437 1 4 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.106 0.116 18043 438 1 4 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.342 -0.199 18043 439 1 4 . 1 1 18 18 ALA H H 18 8.037 8.037 8.180 -0.143 18043 440 1 4 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.332 0.020 18043 441 1 4 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.747 -0.869 18043 442 1 4 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.917 -1.375 18043 443 1 4 . 1 1 19 19 HIS H H 19 8.124 8.124 8.214 -0.090 18043 444 1 4 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.302 0.140 18043 445 1 4 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.780 0.042 18043 446 1 4 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.838 0.099 18043 447 1 4 . 1 1 21 21 LEU H H 21 8.597 8.597 8.310 0.287 18043 448 1 4 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.034 0.145 18043 449 1 4 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.720 0.561 18043 450 1 4 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.515 0.339 18043 451 1 4 . 1 1 22 22 LEU H H 22 7.717 7.717 8.159 -0.442 18043 452 1 4 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.418 -0.033 18043 453 1 4 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.505 -0.204 18043 454 1 4 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.581 -0.397 18043 455 1 4 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.295 0.161 18043 456 1 4 . 1 1 24 24 GLY H H 24 7.865 7.865 8.265 -0.400 18043 457 1 4 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.892 0.310 18043 458 1 4 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.471 0.338 18043 459 1 4 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.536 0.900 18043 460 1 4 . 1 1 25 25 ASN H H 25 7.874 7.874 7.640 0.234 18043 461 1 4 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.206 0.131 18043 462 1 4 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.684 0.333 18043 463 1 4 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.760 1.239 18043 464 1 4 . 1 1 26 26 ARG H H 26 8.356 8.356 8.763 -0.407 18043 465 1 4 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.518 0.314 18043 466 1 4 . 1 1 27 27 GLY H H 27 7.764 7.764 7.556 0.208 18043 467 1 4 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.346 2.714 18043 468 1 4 . 1 1 28 28 GLY H H 28 8.290 8.290 8.091 0.199 18043 469 1 4 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.110 -0.322 18043 470 1 4 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.458 0.179 18043 471 1 4 . 1 1 29 29 TYR H H 29 8.835 8.835 8.235 0.600 18043 472 1 4 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.304 -0.196 18043 473 1 4 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.496 -2.406 18043 474 1 4 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.414 14.288 18043 475 1 4 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.971 -0.051 18043 476 1 4 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.384 -0.727 18043 477 1 4 . 1 1 31 31 ASN H H 31 8.859 8.859 8.870 -0.011 18043 478 1 4 . 1 1 32 32 GLY CA C 32 46.420 46.420 45.968 0.452 18043 479 1 4 . 1 1 32 32 GLY H H 32 8.638 8.638 8.778 -0.140 18043 480 1 4 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.411 0.050 18043 481 1 4 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.092 -0.097 18043 482 1 4 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.901 -0.068 18043 483 1 4 . 1 1 33 33 ARG H H 33 7.714 7.714 7.567 0.147 18043 484 1 4 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.872 -0.063 18043 485 1 4 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.812 0.539 18043 486 1 4 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.485 -1.035 18043 487 1 4 . 1 1 34 34 ALA H H 34 8.306 8.306 7.784 0.522 18043 488 1 4 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.403 -0.268 18043 489 1 4 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.030 -0.859 18043 490 1 4 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.951 -1.084 18043 491 1 4 . 1 1 35 35 ILE H H 35 7.512 7.512 7.382 0.130 18043 492 1 4 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.053 -0.359 18043 493 1 4 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.725 8.038 18043 494 1 4 . 1 1 36 36 CYS H H 36 8.476 8.476 8.427 0.049 18043 495 1 4 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.220 -0.236 18043 496 1 4 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.750 0.784 18043 497 1 4 . 1 1 37 37 VAL H H 37 9.182 9.182 8.932 0.250 18043 498 1 4 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.623 0.817 18043 499 1 4 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.065 -6.990 18043 500 1 4 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.949 9.481 18043 501 1 4 . 1 1 38 38 CYS H H 38 8.620 8.620 8.929 -0.309 18043 502 1 4 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.549 0.071 18043 503 1 4 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.688 0.887 18043 504 1 4 . 1 1 39 39 ARG H H 39 8.525 8.525 8.821 -0.296 18043 505 1 5 . 1 1 2 2 THR HA H 2 4.818 4.818 4.719 0.099 18043 506 1 5 . 1 1 2 2 THR CB C 2 69.477 69.477 70.525 -1.048 18043 507 1 5 . 1 1 2 2 THR H H 2 8.533 8.533 7.981 0.552 18043 508 1 5 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.626 0.144 18043 509 1 5 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.626 14.906 18043 510 1 5 . 1 1 3 3 CYS H H 3 8.336 8.336 8.675 -0.339 18043 511 1 5 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.576 0.035 18043 512 1 5 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.907 -0.785 18043 513 1 5 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.826 -0.218 18043 514 1 5 . 1 1 4 4 ASP H H 4 8.225 8.225 7.715 0.510 18043 515 1 5 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.724 -0.428 18043 516 1 5 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.537 1.140 18043 517 1 5 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.501 0.551 18043 518 1 5 . 1 1 5 5 LEU H H 5 8.383 8.383 8.420 -0.037 18043 519 1 5 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.219 0.208 18043 520 1 5 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.673 -1.656 18043 521 1 5 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.103 0.005 18043 522 1 5 . 1 1 6 6 LEU H H 6 8.297 8.297 8.047 0.250 18043 523 1 5 . 1 1 7 7 SER HA H 7 4.455 4.455 4.452 0.003 18043 524 1 5 . 1 1 7 7 SER CA C 7 58.540 58.540 58.362 0.178 18043 525 1 5 . 1 1 7 7 SER CB C 7 63.927 63.927 63.525 0.402 18043 526 1 5 . 1 1 7 7 SER H H 7 8.176 8.176 8.427 -0.251 18043 527 1 5 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.865 0.560 18043 528 1 5 . 1 1 8 8 GLY H H 8 8.489 8.489 7.533 0.956 18043 529 1 5 . 1 1 9 9 THR HA H 9 4.362 4.362 4.080 0.282 18043 530 1 5 . 1 1 9 9 THR CA C 9 62.238 62.238 62.977 -0.740 18043 531 1 5 . 1 1 9 9 THR CB C 9 69.659 69.659 69.260 0.399 18043 532 1 5 . 1 1 9 9 THR H H 9 8.212 8.212 8.314 -0.102 18043 533 1 5 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.319 0.114 18043 534 1 5 . 1 1 10 10 GLY H H 10 8.517 8.517 8.551 -0.034 18043 535 1 5 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.696 0.420 18043 536 1 5 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.401 -1.871 18043 537 1 5 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.789 0.689 18043 538 1 5 . 1 1 11 11 VAL H H 11 7.925 7.925 7.943 -0.018 18043 539 1 5 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.235 0.034 18043 540 1 5 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.283 0.516 18043 541 1 5 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.614 1.229 18043 542 1 5 . 1 1 12 12 LYS H H 12 8.354 8.354 8.096 0.258 18043 543 1 5 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.356 0.425 18043 544 1 5 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.755 0.698 18043 545 1 5 . 1 1 13 13 HIS H H 13 8.412 8.412 8.834 -0.422 18043 546 1 5 . 1 1 14 14 SER HA H 14 4.444 4.444 4.167 0.277 18043 547 1 5 . 1 1 14 14 SER CA C 14 59.475 59.475 60.371 -0.896 18043 548 1 5 . 1 1 14 14 SER CB C 14 63.530 63.530 62.666 0.863 18043 549 1 5 . 1 1 14 14 SER H H 14 8.260 8.260 8.398 -0.138 18043 550 1 5 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.111 0.243 18043 551 1 5 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.038 -0.553 18043 552 1 5 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.019 0.228 18043 553 1 5 . 1 1 15 15 ALA H H 15 8.648 8.648 8.214 0.434 18043 554 1 5 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.193 0.308 18043 555 1 5 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.403 -4.286 18043 556 1 5 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.297 10.504 18043 557 1 5 . 1 1 16 16 CYS H H 16 8.496 8.496 7.894 0.602 18043 558 1 5 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.049 -0.384 18043 559 1 5 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.106 1.105 18043 560 1 5 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.318 -0.558 18043 561 1 5 . 1 1 17 17 ALA H H 17 8.445 8.445 7.941 0.504 18043 562 1 5 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.920 0.162 18043 563 1 5 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.117 0.105 18043 564 1 5 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.348 -0.205 18043 565 1 5 . 1 1 18 18 ALA H H 18 8.037 8.037 8.188 -0.151 18043 566 1 5 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.276 0.076 18043 567 1 5 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.278 -1.400 18043 568 1 5 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.925 -1.383 18043 569 1 5 . 1 1 19 19 HIS H H 19 8.124 8.124 8.245 -0.121 18043 570 1 5 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.322 0.120 18043 571 1 5 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.764 0.058 18043 572 1 5 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.828 0.109 18043 573 1 5 . 1 1 21 21 LEU H H 21 8.597 8.597 8.229 0.368 18043 574 1 5 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.015 0.164 18043 575 1 5 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.926 0.355 18043 576 1 5 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.511 0.343 18043 577 1 5 . 1 1 22 22 LEU H H 22 7.717 7.717 8.155 -0.438 18043 578 1 5 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.349 0.036 18043 579 1 5 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.724 -0.423 18043 580 1 5 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.474 -0.290 18043 581 1 5 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.206 0.250 18043 582 1 5 . 1 1 24 24 GLY H H 24 7.865 7.865 8.239 -0.374 18043 583 1 5 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.967 0.235 18043 584 1 5 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.265 0.544 18043 585 1 5 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.694 0.742 18043 586 1 5 . 1 1 25 25 ASN H H 25 7.874 7.874 7.708 0.166 18043 587 1 5 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.216 0.121 18043 588 1 5 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.624 0.393 18043 589 1 5 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.929 1.070 18043 590 1 5 . 1 1 26 26 ARG H H 26 8.356 8.356 8.778 -0.422 18043 591 1 5 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.520 0.312 18043 592 1 5 . 1 1 27 27 GLY H H 27 7.764 7.764 7.551 0.213 18043 593 1 5 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.338 2.722 18043 594 1 5 . 1 1 28 28 GLY H H 28 8.290 8.290 8.078 0.212 18043 595 1 5 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.141 -0.353 18043 596 1 5 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.469 0.168 18043 597 1 5 . 1 1 29 29 TYR H H 29 8.835 8.835 8.195 0.640 18043 598 1 5 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.335 -0.227 18043 599 1 5 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.788 -2.698 18043 600 1 5 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.061 14.641 18043 601 1 5 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.914 0.006 18043 602 1 5 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.713 -1.056 18043 603 1 5 . 1 1 31 31 ASN H H 31 8.859 8.859 8.841 0.018 18043 604 1 5 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.011 0.409 18043 605 1 5 . 1 1 32 32 GLY H H 32 8.638 8.638 8.793 -0.155 18043 606 1 5 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.409 0.052 18043 607 1 5 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.118 -0.123 18043 608 1 5 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.937 -0.104 18043 609 1 5 . 1 1 33 33 ARG H H 33 7.714 7.714 7.580 0.134 18043 610 1 5 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.868 -0.059 18043 611 1 5 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.809 0.541 18043 612 1 5 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.452 -1.002 18043 613 1 5 . 1 1 34 34 ALA H H 34 8.306 8.306 7.846 0.460 18043 614 1 5 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.238 -0.103 18043 615 1 5 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.992 -0.821 18043 616 1 5 . 1 1 35 35 ILE CB C 35 38.867 38.867 40.089 -1.222 18043 617 1 5 . 1 1 35 35 ILE H H 35 7.512 7.512 7.372 0.140 18043 618 1 5 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.016 -0.322 18043 619 1 5 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.555 8.208 18043 620 1 5 . 1 1 36 36 CYS H H 36 8.476 8.476 8.242 0.234 18043 621 1 5 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.218 -0.234 18043 622 1 5 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.725 0.809 18043 623 1 5 . 1 1 37 37 VAL H H 37 9.182 9.182 8.945 0.237 18043 624 1 5 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.594 0.846 18043 625 1 5 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.106 -7.031 18043 626 1 5 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.945 9.485 18043 627 1 5 . 1 1 38 38 CYS H H 38 8.620 8.620 8.928 -0.308 18043 628 1 5 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.568 0.052 18043 629 1 5 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.732 0.843 18043 630 1 5 . 1 1 39 39 ARG H H 39 8.525 8.525 8.823 -0.298 18043 631 1 6 . 1 1 2 2 THR HA H 2 4.818 4.818 4.828 -0.010 18043 632 1 6 . 1 1 2 2 THR CB C 2 69.477 69.477 70.335 -0.858 18043 633 1 6 . 1 1 2 2 THR H H 2 8.533 8.533 8.144 0.389 18043 634 1 6 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.567 0.203 18043 635 1 6 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.530 15.002 18043 636 1 6 . 1 1 3 3 CYS H H 3 8.336 8.336 8.755 -0.419 18043 637 1 6 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.561 0.050 18043 638 1 6 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.179 -1.058 18043 639 1 6 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.175 -0.566 18043 640 1 6 . 1 1 4 4 ASP H H 4 8.225 8.225 7.886 0.339 18043 641 1 6 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.797 -0.501 18043 642 1 6 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.162 1.515 18043 643 1 6 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.801 0.251 18043 644 1 6 . 1 1 5 5 LEU H H 5 8.383 8.383 8.322 0.061 18043 645 1 6 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.189 0.238 18043 646 1 6 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.694 -1.677 18043 647 1 6 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.062 0.046 18043 648 1 6 . 1 1 6 6 LEU H H 6 8.297 8.297 7.879 0.418 18043 649 1 6 . 1 1 7 7 SER HA H 7 4.455 4.455 4.476 -0.021 18043 650 1 6 . 1 1 7 7 SER CA C 7 58.540 58.540 58.151 0.389 18043 651 1 6 . 1 1 7 7 SER CB C 7 63.927 63.927 63.206 0.721 18043 652 1 6 . 1 1 7 7 SER H H 7 8.176 8.176 8.487 -0.311 18043 653 1 6 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.753 0.672 18043 654 1 6 . 1 1 8 8 GLY H H 8 8.489 8.489 7.583 0.906 18043 655 1 6 . 1 1 9 9 THR HA H 9 4.362 4.362 4.104 0.258 18043 656 1 6 . 1 1 9 9 THR CA C 9 62.238 62.238 63.497 -1.259 18043 657 1 6 . 1 1 9 9 THR CB C 9 69.659 69.659 69.366 0.293 18043 658 1 6 . 1 1 9 9 THR H H 9 8.212 8.212 8.265 -0.053 18043 659 1 6 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.409 0.025 18043 660 1 6 . 1 1 10 10 GLY H H 10 8.517 8.517 8.475 0.042 18043 661 1 6 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.703 0.413 18043 662 1 6 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.647 -2.117 18043 663 1 6 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.801 0.677 18043 664 1 6 . 1 1 11 11 VAL H H 11 7.925 7.925 7.948 -0.023 18043 665 1 6 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.247 0.022 18043 666 1 6 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.757 1.042 18043 667 1 6 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.947 1.896 18043 668 1 6 . 1 1 12 12 LYS H H 12 8.354 8.354 8.190 0.164 18043 669 1 6 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.407 0.374 18043 670 1 6 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.783 0.670 18043 671 1 6 . 1 1 13 13 HIS H H 13 8.412 8.412 8.790 -0.378 18043 672 1 6 . 1 1 14 14 SER HA H 14 4.444 4.444 4.168 0.276 18043 673 1 6 . 1 1 14 14 SER CA C 14 59.475 59.475 60.429 -0.954 18043 674 1 6 . 1 1 14 14 SER CB C 14 63.530 63.530 62.722 0.808 18043 675 1 6 . 1 1 14 14 SER H H 14 8.260 8.260 8.417 -0.157 18043 676 1 6 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.111 0.243 18043 677 1 6 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.082 -0.598 18043 678 1 6 . 1 1 15 15 ALA CB C 15 18.247 18.247 17.998 0.249 18043 679 1 6 . 1 1 15 15 ALA H H 15 8.648 8.648 8.070 0.578 18043 680 1 6 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.142 0.359 18043 681 1 6 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.503 -4.386 18043 682 1 6 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.326 10.475 18043 683 1 6 . 1 1 16 16 CYS H H 16 8.496 8.496 7.845 0.651 18043 684 1 6 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.048 -0.383 18043 685 1 6 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.080 1.131 18043 686 1 6 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.331 -0.571 18043 687 1 6 . 1 1 17 17 ALA H H 17 8.445 8.445 7.758 0.687 18043 688 1 6 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.922 0.160 18043 689 1 6 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.095 0.127 18043 690 1 6 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.335 -0.192 18043 691 1 6 . 1 1 18 18 ALA H H 18 8.037 8.037 8.344 -0.307 18043 692 1 6 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.345 0.007 18043 693 1 6 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.728 -0.850 18043 694 1 6 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.883 -1.341 18043 695 1 6 . 1 1 19 19 HIS H H 19 8.124 8.124 8.156 -0.032 18043 696 1 6 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.311 0.131 18043 697 1 6 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.794 0.028 18043 698 1 6 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.871 0.066 18043 699 1 6 . 1 1 21 21 LEU H H 21 8.597 8.597 8.348 0.249 18043 700 1 6 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.031 0.148 18043 701 1 6 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.725 0.556 18043 702 1 6 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.503 0.351 18043 703 1 6 . 1 1 22 22 LEU H H 22 7.717 7.717 8.105 -0.388 18043 704 1 6 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.415 -0.030 18043 705 1 6 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.497 -0.196 18043 706 1 6 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.594 -0.410 18043 707 1 6 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.304 0.152 18043 708 1 6 . 1 1 24 24 GLY H H 24 7.865 7.865 8.270 -0.405 18043 709 1 6 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.883 0.319 18043 710 1 6 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.458 0.351 18043 711 1 6 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.598 0.838 18043 712 1 6 . 1 1 25 25 ASN H H 25 7.874 7.874 7.602 0.272 18043 713 1 6 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.232 0.105 18043 714 1 6 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.480 0.537 18043 715 1 6 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.893 1.105 18043 716 1 6 . 1 1 26 26 ARG H H 26 8.356 8.356 8.800 -0.444 18043 717 1 6 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.345 0.487 18043 718 1 6 . 1 1 27 27 GLY H H 27 7.764 7.764 7.581 0.183 18043 719 1 6 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.453 2.607 18043 720 1 6 . 1 1 28 28 GLY H H 28 8.290 8.290 8.191 0.099 18043 721 1 6 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.127 -0.339 18043 722 1 6 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.782 -0.145 18043 723 1 6 . 1 1 29 29 TYR H H 29 8.835 8.835 8.233 0.602 18043 724 1 6 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.359 -0.251 18043 725 1 6 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.530 -2.440 18043 726 1 6 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.346 14.356 18043 727 1 6 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.891 0.029 18043 728 1 6 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.654 -0.997 18043 729 1 6 . 1 1 31 31 ASN H H 31 8.859 8.859 8.785 0.074 18043 730 1 6 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.022 0.398 18043 731 1 6 . 1 1 32 32 GLY H H 32 8.638 8.638 8.815 -0.177 18043 732 1 6 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.405 0.056 18043 733 1 6 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.136 -0.141 18043 734 1 6 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.810 0.023 18043 735 1 6 . 1 1 33 33 ARG H H 33 7.714 7.714 7.586 0.128 18043 736 1 6 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.881 -0.072 18043 737 1 6 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.772 0.579 18043 738 1 6 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.470 -1.020 18043 739 1 6 . 1 1 34 34 ALA H H 34 8.306 8.306 7.840 0.466 18043 740 1 6 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.378 -0.243 18043 741 1 6 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.935 -0.764 18043 742 1 6 . 1 1 35 35 ILE CB C 35 38.867 38.867 40.015 -1.148 18043 743 1 6 . 1 1 35 35 ILE H H 35 7.512 7.512 7.361 0.151 18043 744 1 6 . 1 1 36 36 CYS HA H 36 4.694 4.694 4.991 -0.297 18043 745 1 6 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.367 8.396 18043 746 1 6 . 1 1 36 36 CYS H H 36 8.476 8.476 8.365 0.111 18043 747 1 6 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.233 -0.249 18043 748 1 6 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.725 0.809 18043 749 1 6 . 1 1 37 37 VAL H H 37 9.182 9.182 8.912 0.270 18043 750 1 6 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.573 0.867 18043 751 1 6 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.267 -7.192 18043 752 1 6 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.876 9.554 18043 753 1 6 . 1 1 38 38 CYS H H 38 8.620 8.620 8.956 -0.336 18043 754 1 6 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.586 0.034 18043 755 1 6 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.780 0.794 18043 756 1 6 . 1 1 39 39 ARG H H 39 8.525 8.525 8.832 -0.307 18043 757 1 7 . 1 1 2 2 THR HA H 2 4.818 4.818 4.789 0.029 18043 758 1 7 . 1 1 2 2 THR CB C 2 69.477 69.477 70.472 -0.996 18043 759 1 7 . 1 1 2 2 THR H H 2 8.533 8.533 8.124 0.409 18043 760 1 7 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.639 0.131 18043 761 1 7 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.673 14.859 18043 762 1 7 . 1 1 3 3 CYS H H 3 8.336 8.336 8.849 -0.513 18043 763 1 7 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.567 0.044 18043 764 1 7 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.064 -0.942 18043 765 1 7 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.058 -0.450 18043 766 1 7 . 1 1 4 4 ASP H H 4 8.225 8.225 7.844 0.381 18043 767 1 7 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.684 -0.388 18043 768 1 7 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.287 1.390 18043 769 1 7 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.019 1.033 18043 770 1 7 . 1 1 5 5 LEU H H 5 8.383 8.383 8.499 -0.116 18043 771 1 7 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.187 0.240 18043 772 1 7 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.686 -1.669 18043 773 1 7 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.129 -0.021 18043 774 1 7 . 1 1 6 6 LEU H H 6 8.297 8.297 7.457 0.840 18043 775 1 7 . 1 1 7 7 SER HA H 7 4.455 4.455 4.484 -0.029 18043 776 1 7 . 1 1 7 7 SER CA C 7 58.540 58.540 58.254 0.286 18043 777 1 7 . 1 1 7 7 SER CB C 7 63.927 63.927 63.703 0.224 18043 778 1 7 . 1 1 7 7 SER H H 7 8.176 8.176 8.433 -0.257 18043 779 1 7 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.853 0.572 18043 780 1 7 . 1 1 8 8 GLY H H 8 8.489 8.489 7.515 0.974 18043 781 1 7 . 1 1 9 9 THR HA H 9 4.362 4.362 4.086 0.276 18043 782 1 7 . 1 1 9 9 THR CA C 9 62.238 62.238 62.871 -0.633 18043 783 1 7 . 1 1 9 9 THR CB C 9 69.659 69.659 69.259 0.400 18043 784 1 7 . 1 1 9 9 THR H H 9 8.212 8.212 8.385 -0.173 18043 785 1 7 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.288 0.146 18043 786 1 7 . 1 1 10 10 GLY H H 10 8.517 8.517 8.576 -0.059 18043 787 1 7 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.602 0.514 18043 788 1 7 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.410 -1.880 18043 789 1 7 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.754 0.724 18043 790 1 7 . 1 1 11 11 VAL H H 11 7.925 7.925 7.951 -0.026 18043 791 1 7 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.190 0.079 18043 792 1 7 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.871 0.928 18043 793 1 7 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.528 2.315 18043 794 1 7 . 1 1 12 12 LYS H H 12 8.354 8.354 8.202 0.152 18043 795 1 7 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.523 0.258 18043 796 1 7 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.708 0.745 18043 797 1 7 . 1 1 13 13 HIS H H 13 8.412 8.412 8.407 0.005 18043 798 1 7 . 1 1 14 14 SER HA H 14 4.444 4.444 4.151 0.293 18043 799 1 7 . 1 1 14 14 SER CA C 14 59.475 59.475 60.284 -0.809 18043 800 1 7 . 1 1 14 14 SER CB C 14 63.530 63.530 62.500 1.030 18043 801 1 7 . 1 1 14 14 SER H H 14 8.260 8.260 8.365 -0.105 18043 802 1 7 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.103 0.251 18043 803 1 7 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.026 -0.542 18043 804 1 7 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.026 0.221 18043 805 1 7 . 1 1 15 15 ALA H H 15 8.648 8.648 8.149 0.499 18043 806 1 7 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.196 0.305 18043 807 1 7 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.404 -4.287 18043 808 1 7 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.327 10.474 18043 809 1 7 . 1 1 16 16 CYS H H 16 8.496 8.496 7.914 0.582 18043 810 1 7 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.056 -0.391 18043 811 1 7 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.071 1.140 18043 812 1 7 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.332 -0.572 18043 813 1 7 . 1 1 17 17 ALA H H 17 8.445 8.445 7.898 0.547 18043 814 1 7 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.922 0.160 18043 815 1 7 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.105 0.117 18043 816 1 7 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.341 -0.198 18043 817 1 7 . 1 1 18 18 ALA H H 18 8.037 8.037 8.298 -0.261 18043 818 1 7 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.337 0.015 18043 819 1 7 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.747 -0.869 18043 820 1 7 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.918 -1.376 18043 821 1 7 . 1 1 19 19 HIS H H 19 8.124 8.124 8.205 -0.081 18043 822 1 7 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.315 0.127 18043 823 1 7 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.799 0.023 18043 824 1 7 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.888 0.049 18043 825 1 7 . 1 1 21 21 LEU H H 21 8.597 8.597 8.327 0.270 18043 826 1 7 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.037 0.142 18043 827 1 7 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.699 0.582 18043 828 1 7 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.498 0.356 18043 829 1 7 . 1 1 22 22 LEU H H 22 7.717 7.717 8.136 -0.419 18043 830 1 7 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.420 -0.035 18043 831 1 7 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.508 -0.207 18043 832 1 7 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.590 -0.406 18043 833 1 7 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.284 0.172 18043 834 1 7 . 1 1 24 24 GLY H H 24 7.865 7.865 8.268 -0.403 18043 835 1 7 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.904 0.298 18043 836 1 7 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.442 0.367 18043 837 1 7 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.591 0.845 18043 838 1 7 . 1 1 25 25 ASN H H 25 7.874 7.874 7.664 0.210 18043 839 1 7 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.211 0.126 18043 840 1 7 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.638 0.379 18043 841 1 7 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.762 1.237 18043 842 1 7 . 1 1 26 26 ARG H H 26 8.356 8.356 8.762 -0.406 18043 843 1 7 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.518 0.314 18043 844 1 7 . 1 1 27 27 GLY H H 27 7.764 7.764 7.552 0.212 18043 845 1 7 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.219 2.841 18043 846 1 7 . 1 1 28 28 GLY H H 28 8.290 8.290 8.084 0.206 18043 847 1 7 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.141 -0.353 18043 848 1 7 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.525 0.112 18043 849 1 7 . 1 1 29 29 TYR H H 29 8.835 8.835 8.173 0.662 18043 850 1 7 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.380 -0.272 18043 851 1 7 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.664 -2.574 18043 852 1 7 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.345 14.357 18043 853 1 7 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.911 0.009 18043 854 1 7 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.628 -0.971 18043 855 1 7 . 1 1 31 31 ASN H H 31 8.859 8.859 8.866 -0.007 18043 856 1 7 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.046 0.374 18043 857 1 7 . 1 1 32 32 GLY H H 32 8.638 8.638 8.781 -0.143 18043 858 1 7 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.403 0.058 18043 859 1 7 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.133 -0.138 18043 860 1 7 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.909 -0.076 18043 861 1 7 . 1 1 33 33 ARG H H 33 7.714 7.714 7.577 0.137 18043 862 1 7 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.874 -0.065 18043 863 1 7 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.773 0.578 18043 864 1 7 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.412 -0.962 18043 865 1 7 . 1 1 34 34 ALA H H 34 8.306 8.306 7.858 0.448 18043 866 1 7 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.254 -0.119 18043 867 1 7 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.073 -0.902 18043 868 1 7 . 1 1 35 35 ILE CB C 35 38.867 38.867 40.095 -1.228 18043 869 1 7 . 1 1 35 35 ILE H H 35 7.512 7.512 7.378 0.134 18043 870 1 7 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.082 -0.388 18043 871 1 7 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.718 8.046 18043 872 1 7 . 1 1 36 36 CYS H H 36 8.476 8.476 8.375 0.101 18043 873 1 7 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.221 -0.237 18043 874 1 7 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.717 0.817 18043 875 1 7 . 1 1 37 37 VAL H H 37 9.182 9.182 8.919 0.263 18043 876 1 7 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.590 0.850 18043 877 1 7 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.128 -7.053 18043 878 1 7 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.912 9.518 18043 879 1 7 . 1 1 38 38 CYS H H 38 8.620 8.620 8.934 -0.314 18043 880 1 7 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.561 0.059 18043 881 1 7 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.704 0.871 18043 882 1 7 . 1 1 39 39 ARG H H 39 8.525 8.525 8.828 -0.303 18043 883 1 8 . 1 1 2 2 THR HA H 2 4.818 4.818 4.792 0.026 18043 884 1 8 . 1 1 2 2 THR CB C 2 69.477 69.477 70.373 -0.896 18043 885 1 8 . 1 1 2 2 THR H H 2 8.533 8.533 8.157 0.376 18043 886 1 8 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.596 0.174 18043 887 1 8 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.221 15.311 18043 888 1 8 . 1 1 3 3 CYS H H 3 8.336 8.336 8.756 -0.420 18043 889 1 8 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.524 0.087 18043 890 1 8 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.891 -0.769 18043 891 1 8 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.977 -0.368 18043 892 1 8 . 1 1 4 4 ASP H H 4 8.225 8.225 7.692 0.533 18043 893 1 8 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.765 -0.469 18043 894 1 8 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.407 1.270 18043 895 1 8 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.658 0.394 18043 896 1 8 . 1 1 5 5 LEU H H 5 8.383 8.383 8.350 0.033 18043 897 1 8 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.167 0.260 18043 898 1 8 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.855 -1.839 18043 899 1 8 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.060 0.048 18043 900 1 8 . 1 1 6 6 LEU H H 6 8.297 8.297 8.043 0.254 18043 901 1 8 . 1 1 7 7 SER HA H 7 4.455 4.455 4.477 -0.022 18043 902 1 8 . 1 1 7 7 SER CA C 7 58.540 58.540 58.310 0.230 18043 903 1 8 . 1 1 7 7 SER CB C 7 63.927 63.927 63.183 0.744 18043 904 1 8 . 1 1 7 7 SER H H 7 8.176 8.176 8.397 -0.221 18043 905 1 8 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.853 0.572 18043 906 1 8 . 1 1 8 8 GLY H H 8 8.489 8.489 7.569 0.920 18043 907 1 8 . 1 1 9 9 THR HA H 9 4.362 4.362 4.093 0.269 18043 908 1 8 . 1 1 9 9 THR CA C 9 62.238 62.238 62.995 -0.756 18043 909 1 8 . 1 1 9 9 THR CB C 9 69.659 69.659 69.311 0.348 18043 910 1 8 . 1 1 9 9 THR H H 9 8.212 8.212 8.304 -0.092 18043 911 1 8 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.410 0.024 18043 912 1 8 . 1 1 10 10 GLY H H 10 8.517 8.517 8.575 -0.058 18043 913 1 8 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.713 0.403 18043 914 1 8 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.400 -1.870 18043 915 1 8 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.802 0.676 18043 916 1 8 . 1 1 11 11 VAL H H 11 7.925 7.925 7.975 -0.050 18043 917 1 8 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.268 0.001 18043 918 1 8 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.154 0.645 18043 919 1 8 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.966 1.877 18043 920 1 8 . 1 1 12 12 LYS H H 12 8.354 8.354 8.151 0.203 18043 921 1 8 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.517 0.264 18043 922 1 8 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.693 0.760 18043 923 1 8 . 1 1 13 13 HIS H H 13 8.412 8.412 8.611 -0.199 18043 924 1 8 . 1 1 14 14 SER HA H 14 4.444 4.444 4.160 0.284 18043 925 1 8 . 1 1 14 14 SER CA C 14 59.475 59.475 60.241 -0.766 18043 926 1 8 . 1 1 14 14 SER CB C 14 63.530 63.530 62.582 0.948 18043 927 1 8 . 1 1 14 14 SER H H 14 8.260 8.260 8.372 -0.112 18043 928 1 8 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.095 0.259 18043 929 1 8 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.066 -0.582 18043 930 1 8 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.008 0.239 18043 931 1 8 . 1 1 15 15 ALA H H 15 8.648 8.648 7.944 0.704 18043 932 1 8 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.157 0.344 18043 933 1 8 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.465 -4.348 18043 934 1 8 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.332 10.469 18043 935 1 8 . 1 1 16 16 CYS H H 16 8.496 8.496 7.826 0.670 18043 936 1 8 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.047 -0.382 18043 937 1 8 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.065 1.147 18043 938 1 8 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.342 -0.582 18043 939 1 8 . 1 1 17 17 ALA H H 17 8.445 8.445 7.887 0.558 18043 940 1 8 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.026 0.056 18043 941 1 8 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.028 0.194 18043 942 1 8 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.202 -0.059 18043 943 1 8 . 1 1 18 18 ALA H H 18 8.037 8.037 8.200 -0.163 18043 944 1 8 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.282 0.070 18043 945 1 8 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.920 -1.042 18043 946 1 8 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.844 -1.302 18043 947 1 8 . 1 1 19 19 HIS H H 19 8.124 8.124 8.249 -0.125 18043 948 1 8 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.289 0.153 18043 949 1 8 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.767 0.055 18043 950 1 8 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.845 0.092 18043 951 1 8 . 1 1 21 21 LEU H H 21 8.597 8.597 8.218 0.379 18043 952 1 8 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.033 0.146 18043 953 1 8 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.716 0.565 18043 954 1 8 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.500 0.354 18043 955 1 8 . 1 1 22 22 LEU H H 22 7.717 7.717 8.117 -0.400 18043 956 1 8 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.389 -0.004 18043 957 1 8 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.528 -0.227 18043 958 1 8 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.533 -0.349 18043 959 1 8 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.291 0.165 18043 960 1 8 . 1 1 24 24 GLY H H 24 7.865 7.865 8.266 -0.401 18043 961 1 8 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.865 0.337 18043 962 1 8 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.553 0.256 18043 963 1 8 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.530 0.906 18043 964 1 8 . 1 1 25 25 ASN H H 25 7.874 7.874 7.586 0.288 18043 965 1 8 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.205 0.132 18043 966 1 8 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.645 0.372 18043 967 1 8 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.731 1.268 18043 968 1 8 . 1 1 26 26 ARG H H 26 8.356 8.356 8.769 -0.413 18043 969 1 8 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.508 0.324 18043 970 1 8 . 1 1 27 27 GLY H H 27 7.764 7.764 7.543 0.222 18043 971 1 8 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.093 2.967 18043 972 1 8 . 1 1 28 28 GLY H H 28 8.290 8.290 8.090 0.200 18043 973 1 8 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.115 -0.327 18043 974 1 8 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.468 0.169 18043 975 1 8 . 1 1 29 29 TYR H H 29 8.835 8.835 8.193 0.642 18043 976 1 8 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.402 -0.294 18043 977 1 8 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.621 -2.531 18043 978 1 8 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.398 14.304 18043 979 1 8 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.917 0.003 18043 980 1 8 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.693 -1.036 18043 981 1 8 . 1 1 31 31 ASN H H 31 8.859 8.859 8.907 -0.048 18043 982 1 8 . 1 1 32 32 GLY CA C 32 46.420 46.420 45.949 0.471 18043 983 1 8 . 1 1 32 32 GLY H H 32 8.638 8.638 8.793 -0.155 18043 984 1 8 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.422 0.039 18043 985 1 8 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.091 -0.096 18043 986 1 8 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.901 -0.068 18043 987 1 8 . 1 1 33 33 ARG H H 33 7.714 7.714 7.574 0.140 18043 988 1 8 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.883 -0.074 18043 989 1 8 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.824 0.527 18043 990 1 8 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.504 -1.054 18043 991 1 8 . 1 1 34 34 ALA H H 34 8.306 8.306 7.805 0.501 18043 992 1 8 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.402 -0.267 18043 993 1 8 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.971 -0.800 18043 994 1 8 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.918 -1.051 18043 995 1 8 . 1 1 35 35 ILE H H 35 7.512 7.512 7.412 0.100 18043 996 1 8 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.128 -0.434 18043 997 1 8 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.726 8.037 18043 998 1 8 . 1 1 36 36 CYS H H 36 8.476 8.476 8.448 0.028 18043 999 1 8 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.216 -0.232 18043 1000 1 8 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.710 0.824 18043 1001 1 8 . 1 1 37 37 VAL H H 37 9.182 9.182 8.894 0.288 18043 1002 1 8 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.584 0.856 18043 1003 1 8 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.135 -7.059 18043 1004 1 8 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.849 9.581 18043 1005 1 8 . 1 1 38 38 CYS H H 38 8.620 8.620 8.931 -0.311 18043 1006 1 8 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.533 0.087 18043 1007 1 8 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.615 0.960 18043 1008 1 8 . 1 1 39 39 ARG H H 39 8.525 8.525 8.828 -0.303 18043 1009 1 9 . 1 1 2 2 THR HA H 2 4.818 4.818 4.787 0.031 18043 1010 1 9 . 1 1 2 2 THR CB C 2 69.477 69.477 70.394 -0.917 18043 1011 1 9 . 1 1 2 2 THR H H 2 8.533 8.533 8.175 0.358 18043 1012 1 9 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.627 0.143 18043 1013 1 9 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.309 15.223 18043 1014 1 9 . 1 1 3 3 CYS H H 3 8.336 8.336 8.927 -0.591 18043 1015 1 9 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.592 0.019 18043 1016 1 9 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.131 -1.009 18043 1017 1 9 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.136 -0.528 18043 1018 1 9 . 1 1 4 4 ASP H H 4 8.225 8.225 7.893 0.332 18043 1019 1 9 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.705 -0.409 18043 1020 1 9 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.624 1.053 18043 1021 1 9 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.809 0.243 18043 1022 1 9 . 1 1 5 5 LEU H H 5 8.383 8.383 8.392 -0.009 18043 1023 1 9 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.283 0.144 18043 1024 1 9 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.859 -1.842 18043 1025 1 9 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.036 0.072 18043 1026 1 9 . 1 1 6 6 LEU H H 6 8.297 8.297 7.844 0.453 18043 1027 1 9 . 1 1 7 7 SER HA H 7 4.455 4.455 4.538 -0.083 18043 1028 1 9 . 1 1 7 7 SER CA C 7 58.540 58.540 58.182 0.358 18043 1029 1 9 . 1 1 7 7 SER CB C 7 63.927 63.927 63.641 0.286 18043 1030 1 9 . 1 1 7 7 SER H H 7 8.176 8.176 8.478 -0.302 18043 1031 1 9 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.737 0.688 18043 1032 1 9 . 1 1 8 8 GLY H H 8 8.489 8.489 7.453 1.036 18043 1033 1 9 . 1 1 9 9 THR HA H 9 4.362 4.362 4.053 0.309 18043 1034 1 9 . 1 1 9 9 THR CA C 9 62.238 62.238 62.897 -0.659 18043 1035 1 9 . 1 1 9 9 THR CB C 9 69.659 69.659 69.135 0.524 18043 1036 1 9 . 1 1 9 9 THR H H 9 8.212 8.212 8.416 -0.204 18043 1037 1 9 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.334 0.100 18043 1038 1 9 . 1 1 10 10 GLY H H 10 8.517 8.517 8.661 -0.144 18043 1039 1 9 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.548 0.568 18043 1040 1 9 . 1 1 11 11 VAL CA C 11 62.530 62.530 65.363 -2.833 18043 1041 1 9 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.748 0.730 18043 1042 1 9 . 1 1 11 11 VAL H H 11 7.925 7.925 8.032 -0.107 18043 1043 1 9 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.216 0.053 18043 1044 1 9 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.907 0.892 18043 1045 1 9 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.433 2.410 18043 1046 1 9 . 1 1 12 12 LYS H H 12 8.354 8.354 8.236 0.118 18043 1047 1 9 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.501 0.280 18043 1048 1 9 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.787 0.666 18043 1049 1 9 . 1 1 13 13 HIS H H 13 8.412 8.412 8.360 0.052 18043 1050 1 9 . 1 1 14 14 SER HA H 14 4.444 4.444 4.158 0.286 18043 1051 1 9 . 1 1 14 14 SER CA C 14 59.475 59.475 60.420 -0.945 18043 1052 1 9 . 1 1 14 14 SER CB C 14 63.530 63.530 62.676 0.854 18043 1053 1 9 . 1 1 14 14 SER H H 14 8.260 8.260 8.362 -0.102 18043 1054 1 9 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.113 0.241 18043 1055 1 9 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.068 -0.584 18043 1056 1 9 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.027 0.220 18043 1057 1 9 . 1 1 15 15 ALA H H 15 8.648 8.648 8.157 0.491 18043 1058 1 9 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.165 0.336 18043 1059 1 9 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.421 -4.304 18043 1060 1 9 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.326 10.475 18043 1061 1 9 . 1 1 16 16 CYS H H 16 8.496 8.496 7.826 0.670 18043 1062 1 9 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.050 -0.385 18043 1063 1 9 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.108 1.103 18043 1064 1 9 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.343 -0.583 18043 1065 1 9 . 1 1 17 17 ALA H H 17 8.445 8.445 7.632 0.813 18043 1066 1 9 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.930 0.152 18043 1067 1 9 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.083 0.139 18043 1068 1 9 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.370 -0.227 18043 1069 1 9 . 1 1 18 18 ALA H H 18 8.037 8.037 8.330 -0.293 18043 1070 1 9 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.357 -0.005 18043 1071 1 9 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.739 -0.861 18043 1072 1 9 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.864 -1.322 18043 1073 1 9 . 1 1 19 19 HIS H H 19 8.124 8.124 8.165 -0.041 18043 1074 1 9 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.307 0.135 18043 1075 1 9 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.782 0.040 18043 1076 1 9 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.879 0.058 18043 1077 1 9 . 1 1 21 21 LEU H H 21 8.597 8.597 8.205 0.392 18043 1078 1 9 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.030 0.149 18043 1079 1 9 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.682 0.599 18043 1080 1 9 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.456 0.398 18043 1081 1 9 . 1 1 22 22 LEU H H 22 7.717 7.717 8.004 -0.287 18043 1082 1 9 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.410 -0.025 18043 1083 1 9 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.471 -0.170 18043 1084 1 9 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.566 -0.382 18043 1085 1 9 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.330 0.126 18043 1086 1 9 . 1 1 24 24 GLY H H 24 7.865 7.865 8.260 -0.395 18043 1087 1 9 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.872 0.330 18043 1088 1 9 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.437 0.372 18043 1089 1 9 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.599 0.837 18043 1090 1 9 . 1 1 25 25 ASN H H 25 7.874 7.874 7.515 0.359 18043 1091 1 9 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.210 0.127 18043 1092 1 9 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.605 0.412 18043 1093 1 9 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.699 1.300 18043 1094 1 9 . 1 1 26 26 ARG H H 26 8.356 8.356 8.762 -0.406 18043 1095 1 9 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.510 0.322 18043 1096 1 9 . 1 1 27 27 GLY H H 27 7.764 7.764 7.551 0.213 18043 1097 1 9 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.076 2.984 18043 1098 1 9 . 1 1 28 28 GLY H H 28 8.290 8.290 8.082 0.208 18043 1099 1 9 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.141 -0.353 18043 1100 1 9 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.554 0.083 18043 1101 1 9 . 1 1 29 29 TYR H H 29 8.835 8.835 8.217 0.618 18043 1102 1 9 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.363 -0.255 18043 1103 1 9 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.651 -2.561 18043 1104 1 9 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.147 14.555 18043 1105 1 9 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.891 0.029 18043 1106 1 9 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.660 -1.003 18043 1107 1 9 . 1 1 31 31 ASN H H 31 8.859 8.859 8.791 0.068 18043 1108 1 9 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.019 0.401 18043 1109 1 9 . 1 1 32 32 GLY H H 32 8.638 8.638 8.780 -0.142 18043 1110 1 9 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.409 0.052 18043 1111 1 9 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.108 -0.113 18043 1112 1 9 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.905 -0.072 18043 1113 1 9 . 1 1 33 33 ARG H H 33 7.714 7.714 7.564 0.150 18043 1114 1 9 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.877 -0.068 18043 1115 1 9 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.791 0.560 18043 1116 1 9 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.423 -0.973 18043 1117 1 9 . 1 1 34 34 ALA H H 34 8.306 8.306 7.859 0.447 18043 1118 1 9 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.286 -0.151 18043 1119 1 9 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.948 -0.777 18043 1120 1 9 . 1 1 35 35 ILE CB C 35 38.867 38.867 40.005 -1.138 18043 1121 1 9 . 1 1 35 35 ILE H H 35 7.512 7.512 7.393 0.119 18043 1122 1 9 . 1 1 36 36 CYS HA H 36 4.694 4.694 4.979 -0.285 18043 1123 1 9 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.293 8.470 18043 1124 1 9 . 1 1 36 36 CYS H H 36 8.476 8.476 8.367 0.109 18043 1125 1 9 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.220 -0.236 18043 1126 1 9 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.710 0.824 18043 1127 1 9 . 1 1 37 37 VAL H H 37 9.182 9.182 8.959 0.223 18043 1128 1 9 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.588 0.852 18043 1129 1 9 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.141 -7.066 18043 1130 1 9 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.793 9.637 18043 1131 1 9 . 1 1 38 38 CYS H H 38 8.620 8.620 8.938 -0.318 18043 1132 1 9 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.532 0.088 18043 1133 1 9 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.605 0.970 18043 1134 1 9 . 1 1 39 39 ARG H H 39 8.525 8.525 8.827 -0.302 18043 1135 1 10 . 1 1 2 2 THR HA H 2 4.818 4.818 4.842 -0.024 18043 1136 1 10 . 1 1 2 2 THR CB C 2 69.477 69.477 70.323 -0.847 18043 1137 1 10 . 1 1 2 2 THR H H 2 8.533 8.533 8.124 0.409 18043 1138 1 10 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.529 0.241 18043 1139 1 10 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.803 14.729 18043 1140 1 10 . 1 1 3 3 CYS H H 3 8.336 8.336 8.738 -0.402 18043 1141 1 10 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.538 0.073 18043 1142 1 10 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.004 -0.882 18043 1143 1 10 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.156 -0.548 18043 1144 1 10 . 1 1 4 4 ASP H H 4 8.225 8.225 7.880 0.345 18043 1145 1 10 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.743 -0.447 18043 1146 1 10 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.456 1.222 18043 1147 1 10 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.339 0.713 18043 1148 1 10 . 1 1 5 5 LEU H H 5 8.383 8.383 8.217 0.166 18043 1149 1 10 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.175 0.252 18043 1150 1 10 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.738 -1.721 18043 1151 1 10 . 1 1 6 6 LEU CB C 6 42.108 42.108 41.900 0.208 18043 1152 1 10 . 1 1 6 6 LEU H H 6 8.297 8.297 7.852 0.445 18043 1153 1 10 . 1 1 7 7 SER HA H 7 4.455 4.455 4.459 -0.004 18043 1154 1 10 . 1 1 7 7 SER CA C 7 58.540 58.540 58.303 0.237 18043 1155 1 10 . 1 1 7 7 SER CB C 7 63.927 63.927 63.668 0.259 18043 1156 1 10 . 1 1 7 7 SER H H 7 8.176 8.176 8.408 -0.232 18043 1157 1 10 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.862 0.563 18043 1158 1 10 . 1 1 8 8 GLY H H 8 8.489 8.489 7.572 0.917 18043 1159 1 10 . 1 1 9 9 THR HA H 9 4.362 4.362 4.087 0.275 18043 1160 1 10 . 1 1 9 9 THR CA C 9 62.238 62.238 62.990 -0.752 18043 1161 1 10 . 1 1 9 9 THR CB C 9 69.659 69.659 69.259 0.400 18043 1162 1 10 . 1 1 9 9 THR H H 9 8.212 8.212 8.315 -0.103 18043 1163 1 10 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.320 0.114 18043 1164 1 10 . 1 1 10 10 GLY H H 10 8.517 8.517 8.580 -0.063 18043 1165 1 10 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.773 0.343 18043 1166 1 10 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.481 -1.952 18043 1167 1 10 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.851 0.627 18043 1168 1 10 . 1 1 11 11 VAL H H 11 7.925 7.925 7.984 -0.059 18043 1169 1 10 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.335 -0.066 18043 1170 1 10 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.387 0.412 18043 1171 1 10 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.275 1.568 18043 1172 1 10 . 1 1 12 12 LYS H H 12 8.354 8.354 8.173 0.181 18043 1173 1 10 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.376 0.405 18043 1174 1 10 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.828 0.625 18043 1175 1 10 . 1 1 13 13 HIS H H 13 8.412 8.412 8.918 -0.506 18043 1176 1 10 . 1 1 14 14 SER HA H 14 4.444 4.444 4.175 0.269 18043 1177 1 10 . 1 1 14 14 SER CA C 14 59.475 59.475 60.225 -0.750 18043 1178 1 10 . 1 1 14 14 SER CB C 14 63.530 63.530 62.611 0.919 18043 1179 1 10 . 1 1 14 14 SER H H 14 8.260 8.260 8.393 -0.133 18043 1180 1 10 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.089 0.265 18043 1181 1 10 . 1 1 15 15 ALA CA C 15 54.484 54.484 54.993 -0.509 18043 1182 1 10 . 1 1 15 15 ALA CB C 15 18.247 18.247 17.996 0.251 18043 1183 1 10 . 1 1 15 15 ALA H H 15 8.648 8.648 8.172 0.476 18043 1184 1 10 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.129 0.372 18043 1185 1 10 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.568 -4.450 18043 1186 1 10 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.256 10.545 18043 1187 1 10 . 1 1 16 16 CYS H H 16 8.496 8.496 7.927 0.569 18043 1188 1 10 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.077 -0.412 18043 1189 1 10 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.088 1.123 18043 1190 1 10 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.296 -0.536 18043 1191 1 10 . 1 1 17 17 ALA H H 17 8.445 8.445 7.478 0.967 18043 1192 1 10 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.917 0.165 18043 1193 1 10 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.092 0.130 18043 1194 1 10 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.339 -0.196 18043 1195 1 10 . 1 1 18 18 ALA H H 18 8.037 8.037 8.077 -0.040 18043 1196 1 10 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.261 0.091 18043 1197 1 10 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.954 -1.076 18043 1198 1 10 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.860 -1.318 18043 1199 1 10 . 1 1 19 19 HIS H H 19 8.124 8.124 8.290 -0.166 18043 1200 1 10 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.306 0.136 18043 1201 1 10 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.728 0.094 18043 1202 1 10 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.819 0.118 18043 1203 1 10 . 1 1 21 21 LEU H H 21 8.597 8.597 8.183 0.414 18043 1204 1 10 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.033 0.146 18043 1205 1 10 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.725 0.556 18043 1206 1 10 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.508 0.346 18043 1207 1 10 . 1 1 22 22 LEU H H 22 7.717 7.717 8.144 -0.427 18043 1208 1 10 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.387 -0.002 18043 1209 1 10 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.557 -0.256 18043 1210 1 10 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.544 -0.360 18043 1211 1 10 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.262 0.194 18043 1212 1 10 . 1 1 24 24 GLY H H 24 7.865 7.865 8.252 -0.387 18043 1213 1 10 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.892 0.310 18043 1214 1 10 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.476 0.333 18043 1215 1 10 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.558 0.878 18043 1216 1 10 . 1 1 25 25 ASN H H 25 7.874 7.874 7.652 0.222 18043 1217 1 10 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.203 0.134 18043 1218 1 10 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.696 0.321 18043 1219 1 10 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.773 1.226 18043 1220 1 10 . 1 1 26 26 ARG H H 26 8.356 8.356 8.767 -0.411 18043 1221 1 10 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.516 0.316 18043 1222 1 10 . 1 1 27 27 GLY H H 27 7.764 7.764 7.542 0.222 18043 1223 1 10 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.170 2.890 18043 1224 1 10 . 1 1 28 28 GLY H H 28 8.290 8.290 8.089 0.201 18043 1225 1 10 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.119 -0.331 18043 1226 1 10 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.475 0.162 18043 1227 1 10 . 1 1 29 29 TYR H H 29 8.835 8.835 8.212 0.623 18043 1228 1 10 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.425 -0.317 18043 1229 1 10 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.681 -2.591 18043 1230 1 10 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.433 14.269 18043 1231 1 10 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.930 -0.010 18043 1232 1 10 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.657 -1.000 18043 1233 1 10 . 1 1 31 31 ASN H H 31 8.859 8.859 8.905 -0.046 18043 1234 1 10 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.004 0.416 18043 1235 1 10 . 1 1 32 32 GLY H H 32 8.638 8.638 8.804 -0.166 18043 1236 1 10 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.434 0.027 18043 1237 1 10 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.122 -0.127 18043 1238 1 10 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.904 -0.071 18043 1239 1 10 . 1 1 33 33 ARG H H 33 7.714 7.714 7.598 0.116 18043 1240 1 10 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.955 -0.146 18043 1241 1 10 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.841 0.510 18043 1242 1 10 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.486 -1.036 18043 1243 1 10 . 1 1 34 34 ALA H H 34 8.306 8.306 7.862 0.444 18043 1244 1 10 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.418 -0.283 18043 1245 1 10 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.038 -0.867 18043 1246 1 10 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.971 -1.105 18043 1247 1 10 . 1 1 35 35 ILE H H 35 7.512 7.512 7.415 0.097 18043 1248 1 10 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.093 -0.399 18043 1249 1 10 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.642 8.120 18043 1250 1 10 . 1 1 36 36 CYS H H 36 8.476 8.476 8.457 0.019 18043 1251 1 10 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.225 -0.241 18043 1252 1 10 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.708 0.826 18043 1253 1 10 . 1 1 37 37 VAL H H 37 9.182 9.182 8.924 0.258 18043 1254 1 10 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.596 0.844 18043 1255 1 10 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.114 -7.039 18043 1256 1 10 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.911 9.519 18043 1257 1 10 . 1 1 38 38 CYS H H 38 8.620 8.620 8.935 -0.315 18043 1258 1 10 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.560 0.060 18043 1259 1 10 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.702 0.873 18043 1260 1 10 . 1 1 39 39 ARG H H 39 8.525 8.525 8.821 -0.296 18043 1261 1 11 . 1 1 2 2 THR HA H 2 4.818 4.818 4.730 0.088 18043 1262 1 11 . 1 1 2 2 THR CB C 2 69.477 69.477 70.365 -0.888 18043 1263 1 11 . 1 1 2 2 THR H H 2 8.533 8.533 8.086 0.447 18043 1264 1 11 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.601 0.169 18043 1265 1 11 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.302 15.230 18043 1266 1 11 . 1 1 3 3 CYS H H 3 8.336 8.336 8.798 -0.462 18043 1267 1 11 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.557 0.054 18043 1268 1 11 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.054 -0.932 18043 1269 1 11 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.974 -0.366 18043 1270 1 11 . 1 1 4 4 ASP H H 4 8.225 8.225 7.790 0.435 18043 1271 1 11 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.808 -0.512 18043 1272 1 11 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.322 1.355 18043 1273 1 11 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.805 0.247 18043 1274 1 11 . 1 1 5 5 LEU H H 5 8.383 8.383 8.324 0.059 18043 1275 1 11 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.203 0.224 18043 1276 1 11 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.832 -1.815 18043 1277 1 11 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.093 0.016 18043 1278 1 11 . 1 1 6 6 LEU H H 6 8.297 8.297 8.070 0.227 18043 1279 1 11 . 1 1 7 7 SER HA H 7 4.455 4.455 4.483 -0.028 18043 1280 1 11 . 1 1 7 7 SER CA C 7 58.540 58.540 58.308 0.232 18043 1281 1 11 . 1 1 7 7 SER CB C 7 63.927 63.927 63.124 0.803 18043 1282 1 11 . 1 1 7 7 SER H H 7 8.176 8.176 8.353 -0.177 18043 1283 1 11 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.790 0.635 18043 1284 1 11 . 1 1 8 8 GLY H H 8 8.489 8.489 7.547 0.942 18043 1285 1 11 . 1 1 9 9 THR HA H 9 4.362 4.362 4.075 0.287 18043 1286 1 11 . 1 1 9 9 THR CA C 9 62.238 62.238 62.988 -0.750 18043 1287 1 11 . 1 1 9 9 THR CB C 9 69.659 69.659 69.265 0.394 18043 1288 1 11 . 1 1 9 9 THR H H 9 8.212 8.212 8.333 -0.121 18043 1289 1 11 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.365 0.069 18043 1290 1 11 . 1 1 10 10 GLY H H 10 8.517 8.517 8.567 -0.050 18043 1291 1 11 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.706 0.410 18043 1292 1 11 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.449 -1.919 18043 1293 1 11 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.811 0.667 18043 1294 1 11 . 1 1 11 11 VAL H H 11 7.925 7.925 7.944 -0.019 18043 1295 1 11 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.264 0.005 18043 1296 1 11 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.221 0.578 18043 1297 1 11 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.519 1.324 18043 1298 1 11 . 1 1 12 12 LYS H H 12 8.354 8.354 8.103 0.251 18043 1299 1 11 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.378 0.403 18043 1300 1 11 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.721 0.731 18043 1301 1 11 . 1 1 13 13 HIS H H 13 8.412 8.412 8.860 -0.448 18043 1302 1 11 . 1 1 14 14 SER HA H 14 4.444 4.444 4.167 0.277 18043 1303 1 11 . 1 1 14 14 SER CA C 14 59.475 59.475 60.346 -0.871 18043 1304 1 11 . 1 1 14 14 SER CB C 14 63.530 63.530 62.676 0.854 18043 1305 1 11 . 1 1 14 14 SER H H 14 8.260 8.260 8.391 -0.131 18043 1306 1 11 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.106 0.248 18043 1307 1 11 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.037 -0.553 18043 1308 1 11 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.041 0.206 18043 1309 1 11 . 1 1 15 15 ALA H H 15 8.648 8.648 8.165 0.483 18043 1310 1 11 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.192 0.309 18043 1311 1 11 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.362 -4.245 18043 1312 1 11 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.316 10.485 18043 1313 1 11 . 1 1 16 16 CYS H H 16 8.496 8.496 7.776 0.720 18043 1314 1 11 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.056 -0.391 18043 1315 1 11 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.073 1.138 18043 1316 1 11 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.332 -0.572 18043 1317 1 11 . 1 1 17 17 ALA H H 17 8.445 8.445 7.820 0.625 18043 1318 1 11 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.919 0.163 18043 1319 1 11 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.099 0.123 18043 1320 1 11 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.341 -0.198 18043 1321 1 11 . 1 1 18 18 ALA H H 18 8.037 8.037 8.258 -0.221 18043 1322 1 11 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.280 0.072 18043 1323 1 11 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.917 -1.039 18043 1324 1 11 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.900 -1.358 18043 1325 1 11 . 1 1 19 19 HIS H H 19 8.124 8.124 8.233 -0.109 18043 1326 1 11 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.318 0.124 18043 1327 1 11 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.775 0.047 18043 1328 1 11 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.828 0.109 18043 1329 1 11 . 1 1 21 21 LEU H H 21 8.597 8.597 8.314 0.283 18043 1330 1 11 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.025 0.154 18043 1331 1 11 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.825 0.455 18043 1332 1 11 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.552 0.302 18043 1333 1 11 . 1 1 22 22 LEU H H 22 7.717 7.717 8.204 -0.487 18043 1334 1 11 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.418 -0.033 18043 1335 1 11 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.508 -0.207 18043 1336 1 11 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.585 -0.401 18043 1337 1 11 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.327 0.129 18043 1338 1 11 . 1 1 24 24 GLY H H 24 7.865 7.865 8.267 -0.402 18043 1339 1 11 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.875 0.327 18043 1340 1 11 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.463 0.346 18043 1341 1 11 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.597 0.839 18043 1342 1 11 . 1 1 25 25 ASN H H 25 7.874 7.874 7.609 0.265 18043 1343 1 11 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.201 0.136 18043 1344 1 11 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.685 0.332 18043 1345 1 11 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.729 1.270 18043 1346 1 11 . 1 1 26 26 ARG H H 26 8.356 8.356 8.760 -0.404 18043 1347 1 11 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.518 0.314 18043 1348 1 11 . 1 1 27 27 GLY H H 27 7.764 7.764 7.570 0.194 18043 1349 1 11 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.367 2.693 18043 1350 1 11 . 1 1 28 28 GLY H H 28 8.290 8.290 8.085 0.205 18043 1351 1 11 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.140 -0.352 18043 1352 1 11 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.493 0.144 18043 1353 1 11 . 1 1 29 29 TYR H H 29 8.835 8.835 8.129 0.706 18043 1354 1 11 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.310 -0.202 18043 1355 1 11 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.464 -2.374 18043 1356 1 11 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.674 14.028 18043 1357 1 11 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.995 -0.075 18043 1358 1 11 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.448 -0.791 18043 1359 1 11 . 1 1 31 31 ASN H H 31 8.859 8.859 8.849 0.010 18043 1360 1 11 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.060 0.360 18043 1361 1 11 . 1 1 32 32 GLY H H 32 8.638 8.638 8.788 -0.150 18043 1362 1 11 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.386 0.075 18043 1363 1 11 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.226 -0.231 18043 1364 1 11 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.835 -0.002 18043 1365 1 11 . 1 1 33 33 ARG H H 33 7.714 7.714 7.637 0.077 18043 1366 1 11 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.870 -0.061 18043 1367 1 11 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.757 0.594 18043 1368 1 11 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.410 -0.960 18043 1369 1 11 . 1 1 34 34 ALA H H 34 8.306 8.306 7.809 0.497 18043 1370 1 11 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.276 -0.141 18043 1371 1 11 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.913 -0.742 18043 1372 1 11 . 1 1 35 35 ILE CB C 35 38.867 38.867 40.248 -1.381 18043 1373 1 11 . 1 1 35 35 ILE H H 35 7.512 7.512 7.378 0.134 18043 1374 1 11 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.053 -0.359 18043 1375 1 11 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.698 8.066 18043 1376 1 11 . 1 1 36 36 CYS H H 36 8.476 8.476 8.438 0.038 18043 1377 1 11 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.207 -0.223 18043 1378 1 11 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.776 0.757 18043 1379 1 11 . 1 1 37 37 VAL H H 37 9.182 9.182 8.939 0.243 18043 1380 1 11 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.612 0.828 18043 1381 1 11 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.115 -7.040 18043 1382 1 11 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.897 9.533 18043 1383 1 11 . 1 1 38 38 CYS H H 38 8.620 8.620 8.902 -0.282 18043 1384 1 11 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.554 0.066 18043 1385 1 11 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.726 0.849 18043 1386 1 11 . 1 1 39 39 ARG H H 39 8.525 8.525 8.818 -0.293 18043 1387 1 12 . 1 1 2 2 THR HA H 2 4.818 4.818 4.850 -0.032 18043 1388 1 12 . 1 1 2 2 THR CB C 2 69.477 69.477 70.411 -0.934 18043 1389 1 12 . 1 1 2 2 THR H H 2 8.533 8.533 8.151 0.382 18043 1390 1 12 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.571 0.199 18043 1391 1 12 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.172 15.360 18043 1392 1 12 . 1 1 3 3 CYS H H 3 8.336 8.336 8.729 -0.393 18043 1393 1 12 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.548 0.063 18043 1394 1 12 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.803 -0.681 18043 1395 1 12 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.067 -0.459 18043 1396 1 12 . 1 1 4 4 ASP H H 4 8.225 8.225 7.697 0.528 18043 1397 1 12 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.780 -0.484 18043 1398 1 12 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.441 1.236 18043 1399 1 12 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.784 0.268 18043 1400 1 12 . 1 1 5 5 LEU H H 5 8.383 8.383 8.338 0.045 18043 1401 1 12 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.257 0.170 18043 1402 1 12 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.827 -1.810 18043 1403 1 12 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.284 -0.176 18043 1404 1 12 . 1 1 6 6 LEU H H 6 8.297 8.297 7.992 0.305 18043 1405 1 12 . 1 1 7 7 SER HA H 7 4.455 4.455 4.507 -0.052 18043 1406 1 12 . 1 1 7 7 SER CA C 7 58.540 58.540 58.261 0.279 18043 1407 1 12 . 1 1 7 7 SER CB C 7 63.927 63.927 63.490 0.437 18043 1408 1 12 . 1 1 7 7 SER H H 7 8.176 8.176 8.441 -0.265 18043 1409 1 12 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.601 0.824 18043 1410 1 12 . 1 1 8 8 GLY H H 8 8.489 8.489 7.438 1.051 18043 1411 1 12 . 1 1 9 9 THR HA H 9 4.362 4.362 4.131 0.231 18043 1412 1 12 . 1 1 9 9 THR CA C 9 62.238 62.238 62.880 -0.643 18043 1413 1 12 . 1 1 9 9 THR CB C 9 69.659 69.659 69.291 0.368 18043 1414 1 12 . 1 1 9 9 THR H H 9 8.212 8.212 8.370 -0.158 18043 1415 1 12 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.270 0.164 18043 1416 1 12 . 1 1 10 10 GLY H H 10 8.517 8.517 8.576 -0.059 18043 1417 1 12 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.722 0.394 18043 1418 1 12 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.374 -1.844 18043 1419 1 12 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.817 0.661 18043 1420 1 12 . 1 1 11 11 VAL H H 11 7.925 7.925 8.024 -0.099 18043 1421 1 12 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.292 -0.023 18043 1422 1 12 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.208 0.591 18043 1423 1 12 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.967 1.876 18043 1424 1 12 . 1 1 12 12 LYS H H 12 8.354 8.354 8.175 0.179 18043 1425 1 12 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.398 0.383 18043 1426 1 12 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.741 0.712 18043 1427 1 12 . 1 1 13 13 HIS H H 13 8.412 8.412 8.657 -0.245 18043 1428 1 12 . 1 1 14 14 SER HA H 14 4.444 4.444 4.155 0.289 18043 1429 1 12 . 1 1 14 14 SER CA C 14 59.475 59.475 60.287 -0.812 18043 1430 1 12 . 1 1 14 14 SER CB C 14 63.530 63.530 62.643 0.887 18043 1431 1 12 . 1 1 14 14 SER H H 14 8.260 8.260 8.387 -0.127 18043 1432 1 12 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.085 0.269 18043 1433 1 12 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.065 -0.581 18043 1434 1 12 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.016 0.231 18043 1435 1 12 . 1 1 15 15 ALA H H 15 8.648 8.648 8.018 0.630 18043 1436 1 12 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.141 0.360 18043 1437 1 12 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.518 -4.401 18043 1438 1 12 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.325 10.476 18043 1439 1 12 . 1 1 16 16 CYS H H 16 8.496 8.496 7.795 0.701 18043 1440 1 12 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.045 -0.380 18043 1441 1 12 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.060 1.151 18043 1442 1 12 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.345 -0.585 18043 1443 1 12 . 1 1 17 17 ALA H H 17 8.445 8.445 7.891 0.554 18043 1444 1 12 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.032 0.050 18043 1445 1 12 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.022 0.201 18043 1446 1 12 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.210 -0.067 18043 1447 1 12 . 1 1 18 18 ALA H H 18 8.037 8.037 8.193 -0.156 18043 1448 1 12 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.285 0.067 18043 1449 1 12 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.196 -1.318 18043 1450 1 12 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.846 -1.304 18043 1451 1 12 . 1 1 19 19 HIS H H 19 8.124 8.124 8.252 -0.128 18043 1452 1 12 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.293 0.149 18043 1453 1 12 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.743 0.079 18043 1454 1 12 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.836 0.101 18043 1455 1 12 . 1 1 21 21 LEU H H 21 8.597 8.597 8.128 0.469 18043 1456 1 12 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.013 0.166 18043 1457 1 12 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.957 0.324 18043 1458 1 12 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.513 0.341 18043 1459 1 12 . 1 1 22 22 LEU H H 22 7.717 7.717 8.124 -0.407 18043 1460 1 12 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.319 0.066 18043 1461 1 12 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.766 -0.465 18043 1462 1 12 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.401 -0.216 18043 1463 1 12 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.199 0.257 18043 1464 1 12 . 1 1 24 24 GLY H H 24 7.865 7.865 8.252 -0.387 18043 1465 1 12 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.934 0.268 18043 1466 1 12 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.400 0.409 18043 1467 1 12 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.596 0.840 18043 1468 1 12 . 1 1 25 25 ASN H H 25 7.874 7.874 7.563 0.311 18043 1469 1 12 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.200 0.137 18043 1470 1 12 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.740 0.277 18043 1471 1 12 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.857 1.142 18043 1472 1 12 . 1 1 26 26 ARG H H 26 8.356 8.356 8.795 -0.439 18043 1473 1 12 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.479 0.353 18043 1474 1 12 . 1 1 27 27 GLY H H 27 7.764 7.764 7.514 0.250 18043 1475 1 12 . 1 1 28 28 GLY CA C 28 47.060 47.060 43.929 3.131 18043 1476 1 12 . 1 1 28 28 GLY H H 28 8.290 8.290 8.102 0.188 18043 1477 1 12 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.112 -0.324 18043 1478 1 12 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.455 0.182 18043 1479 1 12 . 1 1 29 29 TYR H H 29 8.835 8.835 8.168 0.667 18043 1480 1 12 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.430 -0.322 18043 1481 1 12 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.598 -2.508 18043 1482 1 12 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.163 14.539 18043 1483 1 12 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.900 0.020 18043 1484 1 12 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.712 -1.055 18043 1485 1 12 . 1 1 31 31 ASN H H 31 8.859 8.859 8.883 -0.024 18043 1486 1 12 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.029 0.391 18043 1487 1 12 . 1 1 32 32 GLY H H 32 8.638 8.638 8.794 -0.156 18043 1488 1 12 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.425 0.036 18043 1489 1 12 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.114 -0.119 18043 1490 1 12 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.903 -0.070 18043 1491 1 12 . 1 1 33 33 ARG H H 33 7.714 7.714 7.582 0.132 18043 1492 1 12 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.895 -0.086 18043 1493 1 12 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.806 0.545 18043 1494 1 12 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.438 -0.988 18043 1495 1 12 . 1 1 34 34 ALA H H 34 8.306 8.306 7.876 0.430 18043 1496 1 12 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.420 -0.285 18043 1497 1 12 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.023 -0.852 18043 1498 1 12 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.803 -0.936 18043 1499 1 12 . 1 1 35 35 ILE H H 35 7.512 7.512 7.426 0.086 18043 1500 1 12 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.168 -0.474 18043 1501 1 12 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.620 8.143 18043 1502 1 12 . 1 1 36 36 CYS H H 36 8.476 8.476 8.438 0.038 18043 1503 1 12 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.217 -0.233 18043 1504 1 12 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.677 0.857 18043 1505 1 12 . 1 1 37 37 VAL H H 37 9.182 9.182 8.818 0.364 18043 1506 1 12 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.565 0.875 18043 1507 1 12 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.199 -7.124 18043 1508 1 12 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.838 9.591 18043 1509 1 12 . 1 1 38 38 CYS H H 38 8.620 8.620 8.931 -0.311 18043 1510 1 12 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.584 0.036 18043 1511 1 12 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.775 0.800 18043 1512 1 12 . 1 1 39 39 ARG H H 39 8.525 8.525 8.809 -0.284 18043 1513 1 13 . 1 1 2 2 THR HA H 2 4.818 4.818 4.816 0.002 18043 1514 1 13 . 1 1 2 2 THR CB C 2 69.477 69.477 70.426 -0.949 18043 1515 1 13 . 1 1 2 2 THR H H 2 8.533 8.533 8.154 0.379 18043 1516 1 13 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.576 0.194 18043 1517 1 13 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.063 15.469 18043 1518 1 13 . 1 1 3 3 CYS H H 3 8.336 8.336 8.742 -0.406 18043 1519 1 13 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.553 0.058 18043 1520 1 13 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.861 -0.739 18043 1521 1 13 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.995 -0.387 18043 1522 1 13 . 1 1 4 4 ASP H H 4 8.225 8.225 7.668 0.557 18043 1523 1 13 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.784 -0.488 18043 1524 1 13 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.400 1.277 18043 1525 1 13 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.804 0.248 18043 1526 1 13 . 1 1 5 5 LEU H H 5 8.383 8.383 8.319 0.064 18043 1527 1 13 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.254 0.173 18043 1528 1 13 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.826 -1.809 18043 1529 1 13 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.266 -0.158 18043 1530 1 13 . 1 1 6 6 LEU H H 6 8.297 8.297 8.010 0.287 18043 1531 1 13 . 1 1 7 7 SER HA H 7 4.455 4.455 4.505 -0.050 18043 1532 1 13 . 1 1 7 7 SER CA C 7 58.540 58.540 58.272 0.268 18043 1533 1 13 . 1 1 7 7 SER CB C 7 63.927 63.927 63.463 0.464 18043 1534 1 13 . 1 1 7 7 SER H H 7 8.176 8.176 8.430 -0.254 18043 1535 1 13 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.605 0.820 18043 1536 1 13 . 1 1 8 8 GLY H H 8 8.489 8.489 7.448 1.041 18043 1537 1 13 . 1 1 9 9 THR HA H 9 4.362 4.362 4.139 0.223 18043 1538 1 13 . 1 1 9 9 THR CA C 9 62.238 62.238 62.823 -0.585 18043 1539 1 13 . 1 1 9 9 THR CB C 9 69.659 69.659 69.297 0.362 18043 1540 1 13 . 1 1 9 9 THR H H 9 8.212 8.212 8.369 -0.157 18043 1541 1 13 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.272 0.162 18043 1542 1 13 . 1 1 10 10 GLY H H 10 8.517 8.517 8.565 -0.048 18043 1543 1 13 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.711 0.405 18043 1544 1 13 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.337 -1.806 18043 1545 1 13 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.810 0.668 18043 1546 1 13 . 1 1 11 11 VAL H H 11 7.925 7.925 8.014 -0.089 18043 1547 1 13 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.277 -0.008 18043 1548 1 13 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.231 0.568 18043 1549 1 13 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.019 1.824 18043 1550 1 13 . 1 1 12 12 LYS H H 12 8.354 8.354 8.160 0.194 18043 1551 1 13 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.390 0.391 18043 1552 1 13 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.729 0.724 18043 1553 1 13 . 1 1 13 13 HIS H H 13 8.412 8.412 8.671 -0.259 18043 1554 1 13 . 1 1 14 14 SER HA H 14 4.444 4.444 4.157 0.287 18043 1555 1 13 . 1 1 14 14 SER CA C 14 59.475 59.475 60.298 -0.823 18043 1556 1 13 . 1 1 14 14 SER CB C 14 63.530 63.530 62.661 0.869 18043 1557 1 13 . 1 1 14 14 SER H H 14 8.260 8.260 8.379 -0.119 18043 1558 1 13 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.088 0.266 18043 1559 1 13 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.067 -0.583 18043 1560 1 13 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.022 0.225 18043 1561 1 13 . 1 1 15 15 ALA H H 15 8.648 8.648 8.017 0.631 18043 1562 1 13 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.154 0.347 18043 1563 1 13 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.418 -4.301 18043 1564 1 13 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.303 10.498 18043 1565 1 13 . 1 1 16 16 CYS H H 16 8.496 8.496 7.800 0.696 18043 1566 1 13 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.048 -0.383 18043 1567 1 13 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.065 1.146 18043 1568 1 13 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.345 -0.585 18043 1569 1 13 . 1 1 17 17 ALA H H 17 8.445 8.445 7.852 0.593 18043 1570 1 13 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.928 0.154 18043 1571 1 13 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.078 0.144 18043 1572 1 13 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.358 -0.215 18043 1573 1 13 . 1 1 18 18 ALA H H 18 8.037 8.037 8.248 -0.211 18043 1574 1 13 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.283 0.069 18043 1575 1 13 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.234 -1.357 18043 1576 1 13 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.848 -1.306 18043 1577 1 13 . 1 1 19 19 HIS H H 19 8.124 8.124 8.243 -0.119 18043 1578 1 13 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.301 0.141 18043 1579 1 13 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.738 0.084 18043 1580 1 13 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.835 0.102 18043 1581 1 13 . 1 1 21 21 LEU H H 21 8.597 8.597 8.141 0.456 18043 1582 1 13 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.012 0.167 18043 1583 1 13 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.968 0.313 18043 1584 1 13 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.519 0.335 18043 1585 1 13 . 1 1 22 22 LEU H H 22 7.717 7.717 8.144 -0.427 18043 1586 1 13 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.322 0.063 18043 1587 1 13 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.759 -0.458 18043 1588 1 13 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.414 -0.230 18043 1589 1 13 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.202 0.254 18043 1590 1 13 . 1 1 24 24 GLY H H 24 7.865 7.865 8.253 -0.388 18043 1591 1 13 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.933 0.269 18043 1592 1 13 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.398 0.411 18043 1593 1 13 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.610 0.826 18043 1594 1 13 . 1 1 25 25 ASN H H 25 7.874 7.874 7.580 0.294 18043 1595 1 13 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.206 0.131 18043 1596 1 13 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.641 0.376 18043 1597 1 13 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.824 1.175 18043 1598 1 13 . 1 1 26 26 ARG H H 26 8.356 8.356 8.792 -0.436 18043 1599 1 13 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.482 0.350 18043 1600 1 13 . 1 1 27 27 GLY H H 27 7.764 7.764 7.522 0.242 18043 1601 1 13 . 1 1 28 28 GLY CA C 28 47.060 47.060 43.979 3.081 18043 1602 1 13 . 1 1 28 28 GLY H H 28 8.290 8.290 8.100 0.190 18043 1603 1 13 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.111 -0.323 18043 1604 1 13 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.450 0.187 18043 1605 1 13 . 1 1 29 29 TYR H H 29 8.835 8.835 8.132 0.703 18043 1606 1 13 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.431 -0.323 18043 1607 1 13 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.577 -2.487 18043 1608 1 13 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.241 14.461 18043 1609 1 13 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.898 0.022 18043 1610 1 13 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.691 -1.034 18043 1611 1 13 . 1 1 31 31 ASN H H 31 8.859 8.859 8.881 -0.022 18043 1612 1 13 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.034 0.386 18043 1613 1 13 . 1 1 32 32 GLY H H 32 8.638 8.638 8.790 -0.152 18043 1614 1 13 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.424 0.037 18043 1615 1 13 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.121 -0.126 18043 1616 1 13 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.898 -0.065 18043 1617 1 13 . 1 1 33 33 ARG H H 33 7.714 7.714 7.580 0.134 18043 1618 1 13 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.882 -0.073 18043 1619 1 13 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.791 0.560 18043 1620 1 13 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.430 -0.980 18043 1621 1 13 . 1 1 34 34 ALA H H 34 8.306 8.306 7.873 0.433 18043 1622 1 13 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.399 -0.264 18043 1623 1 13 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.033 -0.862 18043 1624 1 13 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.758 -0.891 18043 1625 1 13 . 1 1 35 35 ILE H H 35 7.512 7.512 7.420 0.092 18043 1626 1 13 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.153 -0.459 18043 1627 1 13 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.650 8.113 18043 1628 1 13 . 1 1 36 36 CYS H H 36 8.476 8.476 8.433 0.043 18043 1629 1 13 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.212 -0.228 18043 1630 1 13 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.688 0.846 18043 1631 1 13 . 1 1 37 37 VAL H H 37 9.182 9.182 8.838 0.344 18043 1632 1 13 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.568 0.872 18043 1633 1 13 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.210 -7.135 18043 1634 1 13 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.827 9.603 18043 1635 1 13 . 1 1 38 38 CYS H H 38 8.620 8.620 8.931 -0.311 18043 1636 1 13 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.568 0.052 18043 1637 1 13 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.730 0.845 18043 1638 1 13 . 1 1 39 39 ARG H H 39 8.525 8.525 8.804 -0.279 18043 1639 1 14 . 1 1 2 2 THR HA H 2 4.818 4.818 4.911 -0.093 18043 1640 1 14 . 1 1 2 2 THR CB C 2 69.477 69.477 70.361 -0.883 18043 1641 1 14 . 1 1 2 2 THR H H 2 8.533 8.533 8.149 0.384 18043 1642 1 14 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.560 0.210 18043 1643 1 14 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.859 14.673 18043 1644 1 14 . 1 1 3 3 CYS H H 3 8.336 8.336 8.691 -0.355 18043 1645 1 14 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.545 0.066 18043 1646 1 14 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.941 -0.819 18043 1647 1 14 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.131 -0.523 18043 1648 1 14 . 1 1 4 4 ASP H H 4 8.225 8.225 7.861 0.364 18043 1649 1 14 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.729 -0.433 18043 1650 1 14 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.436 1.241 18043 1651 1 14 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.145 0.907 18043 1652 1 14 . 1 1 5 5 LEU H H 5 8.383 8.383 8.263 0.120 18043 1653 1 14 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.206 0.221 18043 1654 1 14 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.258 -1.241 18043 1655 1 14 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.255 -0.146 18043 1656 1 14 . 1 1 6 6 LEU H H 6 8.297 8.297 7.475 0.822 18043 1657 1 14 . 1 1 7 7 SER HA H 7 4.455 4.455 4.403 0.052 18043 1658 1 14 . 1 1 7 7 SER CA C 7 58.540 58.540 58.235 0.305 18043 1659 1 14 . 1 1 7 7 SER CB C 7 63.927 63.927 63.521 0.406 18043 1660 1 14 . 1 1 7 7 SER H H 7 8.176 8.176 8.504 -0.328 18043 1661 1 14 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.633 0.792 18043 1662 1 14 . 1 1 8 8 GLY H H 8 8.489 8.489 7.515 0.974 18043 1663 1 14 . 1 1 9 9 THR HA H 9 4.362 4.362 4.108 0.254 18043 1664 1 14 . 1 1 9 9 THR CA C 9 62.238 62.238 62.929 -0.691 18043 1665 1 14 . 1 1 9 9 THR CB C 9 69.659 69.659 69.239 0.420 18043 1666 1 14 . 1 1 9 9 THR H H 9 8.212 8.212 8.374 -0.162 18043 1667 1 14 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.274 0.160 18043 1668 1 14 . 1 1 10 10 GLY H H 10 8.517 8.517 8.558 -0.041 18043 1669 1 14 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.743 0.373 18043 1670 1 14 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.442 -1.912 18043 1671 1 14 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.823 0.655 18043 1672 1 14 . 1 1 11 11 VAL H H 11 7.925 7.925 8.029 -0.104 18043 1673 1 14 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.279 -0.010 18043 1674 1 14 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.368 0.431 18043 1675 1 14 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.128 1.715 18043 1676 1 14 . 1 1 12 12 LYS H H 12 8.354 8.354 8.175 0.179 18043 1677 1 14 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.364 0.417 18043 1678 1 14 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.751 0.702 18043 1679 1 14 . 1 1 13 13 HIS H H 13 8.412 8.412 8.737 -0.325 18043 1680 1 14 . 1 1 14 14 SER HA H 14 4.444 4.444 4.163 0.281 18043 1681 1 14 . 1 1 14 14 SER CA C 14 59.475 59.475 60.212 -0.737 18043 1682 1 14 . 1 1 14 14 SER CB C 14 63.530 63.530 62.581 0.949 18043 1683 1 14 . 1 1 14 14 SER H H 14 8.260 8.260 8.376 -0.116 18043 1684 1 14 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.079 0.275 18043 1685 1 14 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.064 -0.580 18043 1686 1 14 . 1 1 15 15 ALA CB C 15 18.247 18.247 17.995 0.252 18043 1687 1 14 . 1 1 15 15 ALA H H 15 8.648 8.648 8.145 0.503 18043 1688 1 14 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.113 0.388 18043 1689 1 14 . 1 1 16 16 CYS CA C 16 57.117 57.117 62.053 -4.936 18043 1690 1 14 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.478 10.323 18043 1691 1 14 . 1 1 16 16 CYS H H 16 8.496 8.496 7.846 0.650 18043 1692 1 14 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.033 -0.368 18043 1693 1 14 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.037 1.174 18043 1694 1 14 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.261 -0.501 18043 1695 1 14 . 1 1 17 17 ALA H H 17 8.445 8.445 8.120 0.325 18043 1696 1 14 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.924 0.158 18043 1697 1 14 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.089 0.133 18043 1698 1 14 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.350 -0.207 18043 1699 1 14 . 1 1 18 18 ALA H H 18 8.037 8.037 8.245 -0.208 18043 1700 1 14 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.287 0.065 18043 1701 1 14 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.142 -1.264 18043 1702 1 14 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.840 -1.298 18043 1703 1 14 . 1 1 19 19 HIS H H 19 8.124 8.124 8.250 -0.126 18043 1704 1 14 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.294 0.148 18043 1705 1 14 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.740 0.082 18043 1706 1 14 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.828 0.109 18043 1707 1 14 . 1 1 21 21 LEU H H 21 8.597 8.597 8.161 0.436 18043 1708 1 14 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.012 0.167 18043 1709 1 14 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.959 0.322 18043 1710 1 14 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.519 0.335 18043 1711 1 14 . 1 1 22 22 LEU H H 22 7.717 7.717 8.122 -0.405 18043 1712 1 14 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.325 0.060 18043 1713 1 14 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.748 -0.447 18043 1714 1 14 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.403 -0.219 18043 1715 1 14 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.204 0.252 18043 1716 1 14 . 1 1 24 24 GLY H H 24 7.865 7.865 8.255 -0.390 18043 1717 1 14 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.931 0.271 18043 1718 1 14 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.421 0.388 18043 1719 1 14 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.574 0.862 18043 1720 1 14 . 1 1 25 25 ASN H H 25 7.874 7.874 7.567 0.307 18043 1721 1 14 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.199 0.138 18043 1722 1 14 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.780 0.237 18043 1723 1 14 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.884 1.115 18043 1724 1 14 . 1 1 26 26 ARG H H 26 8.356 8.356 8.795 -0.439 18043 1725 1 14 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.478 0.354 18043 1726 1 14 . 1 1 27 27 GLY H H 27 7.764 7.764 7.510 0.254 18043 1727 1 14 . 1 1 28 28 GLY CA C 28 47.060 47.060 43.867 3.193 18043 1728 1 14 . 1 1 28 28 GLY H H 28 8.290 8.290 8.107 0.183 18043 1729 1 14 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.117 -0.329 18043 1730 1 14 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.474 0.163 18043 1731 1 14 . 1 1 29 29 TYR H H 29 8.835 8.835 8.253 0.582 18043 1732 1 14 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.452 -0.344 18043 1733 1 14 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.583 -2.493 18043 1734 1 14 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.243 14.459 18043 1735 1 14 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.890 0.030 18043 1736 1 14 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.663 -1.006 18043 1737 1 14 . 1 1 31 31 ASN H H 31 8.859 8.859 8.890 -0.031 18043 1738 1 14 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.012 0.408 18043 1739 1 14 . 1 1 32 32 GLY H H 32 8.638 8.638 8.796 -0.158 18043 1740 1 14 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.433 0.028 18043 1741 1 14 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.113 -0.118 18043 1742 1 14 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.943 -0.110 18043 1743 1 14 . 1 1 33 33 ARG H H 33 7.714 7.714 7.567 0.147 18043 1744 1 14 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.924 -0.115 18043 1745 1 14 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.832 0.519 18043 1746 1 14 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.466 -1.016 18043 1747 1 14 . 1 1 34 34 ALA H H 34 8.306 8.306 7.908 0.398 18043 1748 1 14 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.455 -0.320 18043 1749 1 14 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.040 -0.869 18043 1750 1 14 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.819 -0.952 18043 1751 1 14 . 1 1 35 35 ILE H H 35 7.512 7.512 7.434 0.078 18043 1752 1 14 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.162 -0.468 18043 1753 1 14 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.631 8.132 18043 1754 1 14 . 1 1 36 36 CYS H H 36 8.476 8.476 8.475 0.001 18043 1755 1 14 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.223 -0.239 18043 1756 1 14 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.676 0.858 18043 1757 1 14 . 1 1 37 37 VAL H H 37 9.182 9.182 8.838 0.344 18043 1758 1 14 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.551 0.889 18043 1759 1 14 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.227 -7.152 18043 1760 1 14 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.794 9.636 18043 1761 1 14 . 1 1 38 38 CYS H H 38 8.620 8.620 8.993 -0.373 18043 1762 1 14 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.565 0.055 18043 1763 1 14 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.758 0.817 18043 1764 1 14 . 1 1 39 39 ARG H H 39 8.525 8.525 8.730 -0.205 18043 1765 1 15 . 1 1 2 2 THR HA H 2 4.818 4.818 4.825 -0.007 18043 1766 1 15 . 1 1 2 2 THR CB C 2 69.477 69.477 70.366 -0.889 18043 1767 1 15 . 1 1 2 2 THR H H 2 8.533 8.533 8.149 0.384 18043 1768 1 15 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.553 0.217 18043 1769 1 15 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.091 15.441 18043 1770 1 15 . 1 1 3 3 CYS H H 3 8.336 8.336 8.776 -0.440 18043 1771 1 15 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.540 0.071 18043 1772 1 15 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.149 -1.027 18043 1773 1 15 . 1 1 4 4 ASP CB C 4 41.608 41.608 41.937 -0.329 18043 1774 1 15 . 1 1 4 4 ASP H H 4 8.225 8.225 7.699 0.526 18043 1775 1 15 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.777 -0.481 18043 1776 1 15 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.436 1.241 18043 1777 1 15 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.736 0.316 18043 1778 1 15 . 1 1 5 5 LEU H H 5 8.383 8.383 8.331 0.052 18043 1779 1 15 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.224 0.203 18043 1780 1 15 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.832 -1.815 18043 1781 1 15 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.183 -0.075 18043 1782 1 15 . 1 1 6 6 LEU H H 6 8.297 8.297 8.029 0.268 18043 1783 1 15 . 1 1 7 7 SER HA H 7 4.455 4.455 4.502 -0.047 18043 1784 1 15 . 1 1 7 7 SER CA C 7 58.540 58.540 58.282 0.258 18043 1785 1 15 . 1 1 7 7 SER CB C 7 63.927 63.927 63.398 0.529 18043 1786 1 15 . 1 1 7 7 SER H H 7 8.176 8.176 8.418 -0.242 18043 1787 1 15 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.650 0.775 18043 1788 1 15 . 1 1 8 8 GLY H H 8 8.489 8.489 7.460 1.029 18043 1789 1 15 . 1 1 9 9 THR HA H 9 4.362 4.362 4.099 0.263 18043 1790 1 15 . 1 1 9 9 THR CA C 9 62.238 62.238 62.849 -0.611 18043 1791 1 15 . 1 1 9 9 THR CB C 9 69.659 69.659 69.197 0.462 18043 1792 1 15 . 1 1 9 9 THR H H 9 8.212 8.212 8.432 -0.220 18043 1793 1 15 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.323 0.111 18043 1794 1 15 . 1 1 10 10 GLY H H 10 8.517 8.517 8.571 -0.054 18043 1795 1 15 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.716 0.400 18043 1796 1 15 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.289 -1.759 18043 1797 1 15 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.818 0.660 18043 1798 1 15 . 1 1 11 11 VAL H H 11 7.925 7.925 8.005 -0.080 18043 1799 1 15 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.267 0.002 18043 1800 1 15 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.273 0.526 18043 1801 1 15 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.782 2.061 18043 1802 1 15 . 1 1 12 12 LYS H H 12 8.354 8.354 8.187 0.167 18043 1803 1 15 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.537 0.244 18043 1804 1 15 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.662 0.791 18043 1805 1 15 . 1 1 13 13 HIS H H 13 8.412 8.412 8.527 -0.115 18043 1806 1 15 . 1 1 14 14 SER HA H 14 4.444 4.444 4.157 0.287 18043 1807 1 15 . 1 1 14 14 SER CA C 14 59.475 59.475 60.272 -0.797 18043 1808 1 15 . 1 1 14 14 SER CB C 14 63.530 63.530 62.665 0.865 18043 1809 1 15 . 1 1 14 14 SER H H 14 8.260 8.260 8.376 -0.116 18043 1810 1 15 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.084 0.270 18043 1811 1 15 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.081 -0.597 18043 1812 1 15 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.009 0.238 18043 1813 1 15 . 1 1 15 15 ALA H H 15 8.648 8.648 7.926 0.722 18043 1814 1 15 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.139 0.362 18043 1815 1 15 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.474 -4.357 18043 1816 1 15 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.319 10.482 18043 1817 1 15 . 1 1 16 16 CYS H H 16 8.496 8.496 7.769 0.727 18043 1818 1 15 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.046 -0.381 18043 1819 1 15 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.053 1.159 18043 1820 1 15 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.353 -0.593 18043 1821 1 15 . 1 1 17 17 ALA H H 17 8.445 8.445 7.813 0.632 18043 1822 1 15 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.926 0.156 18043 1823 1 15 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.082 0.140 18043 1824 1 15 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.353 -0.210 18043 1825 1 15 . 1 1 18 18 ALA H H 18 8.037 8.037 8.328 -0.291 18043 1826 1 15 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.283 0.069 18043 1827 1 15 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.167 -1.289 18043 1828 1 15 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.845 -1.303 18043 1829 1 15 . 1 1 19 19 HIS H H 19 8.124 8.124 8.206 -0.082 18043 1830 1 15 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.291 0.151 18043 1831 1 15 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.743 0.079 18043 1832 1 15 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.838 0.099 18043 1833 1 15 . 1 1 21 21 LEU H H 21 8.597 8.597 8.151 0.446 18043 1834 1 15 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.011 0.168 18043 1835 1 15 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.962 0.319 18043 1836 1 15 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.515 0.339 18043 1837 1 15 . 1 1 22 22 LEU H H 22 7.717 7.717 8.097 -0.380 18043 1838 1 15 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.324 0.061 18043 1839 1 15 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.754 -0.453 18043 1840 1 15 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.405 -0.222 18043 1841 1 15 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.200 0.257 18043 1842 1 15 . 1 1 24 24 GLY H H 24 7.865 7.865 8.255 -0.390 18043 1843 1 15 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.930 0.272 18043 1844 1 15 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.428 0.381 18043 1845 1 15 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.578 0.858 18043 1846 1 15 . 1 1 25 25 ASN H H 25 7.874 7.874 7.549 0.325 18043 1847 1 15 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.200 0.137 18043 1848 1 15 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.759 0.258 18043 1849 1 15 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.874 1.125 18043 1850 1 15 . 1 1 26 26 ARG H H 26 8.356 8.356 8.796 -0.440 18043 1851 1 15 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.473 0.359 18043 1852 1 15 . 1 1 27 27 GLY H H 27 7.764 7.764 7.513 0.251 18043 1853 1 15 . 1 1 28 28 GLY CA C 28 47.060 47.060 43.834 3.226 18043 1854 1 15 . 1 1 28 28 GLY H H 28 8.290 8.290 8.104 0.186 18043 1855 1 15 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.113 -0.325 18043 1856 1 15 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.486 0.151 18043 1857 1 15 . 1 1 29 29 TYR H H 29 8.835 8.835 8.226 0.609 18043 1858 1 15 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.442 -0.334 18043 1859 1 15 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.596 -2.506 18043 1860 1 15 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.168 14.534 18043 1861 1 15 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.896 0.024 18043 1862 1 15 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.670 -1.013 18043 1863 1 15 . 1 1 31 31 ASN H H 31 8.859 8.859 8.883 -0.024 18043 1864 1 15 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.025 0.395 18043 1865 1 15 . 1 1 32 32 GLY H H 32 8.638 8.638 8.794 -0.156 18043 1866 1 15 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.428 0.033 18043 1867 1 15 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.114 -0.119 18043 1868 1 15 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.921 -0.088 18043 1869 1 15 . 1 1 33 33 ARG H H 33 7.714 7.714 7.574 0.140 18043 1870 1 15 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.905 -0.096 18043 1871 1 15 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.813 0.538 18043 1872 1 15 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.443 -0.993 18043 1873 1 15 . 1 1 34 34 ALA H H 34 8.306 8.306 7.896 0.410 18043 1874 1 15 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.423 -0.288 18043 1875 1 15 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.027 -0.856 18043 1876 1 15 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.844 -0.977 18043 1877 1 15 . 1 1 35 35 ILE H H 35 7.512 7.512 7.434 0.078 18043 1878 1 15 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.163 -0.469 18043 1879 1 15 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.592 8.171 18043 1880 1 15 . 1 1 36 36 CYS H H 36 8.476 8.476 8.445 0.031 18043 1881 1 15 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.219 -0.235 18043 1882 1 15 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.666 0.868 18043 1883 1 15 . 1 1 37 37 VAL H H 37 9.182 9.182 8.835 0.347 18043 1884 1 15 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.545 0.895 18043 1885 1 15 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.222 -7.147 18043 1886 1 15 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.751 9.679 18043 1887 1 15 . 1 1 38 38 CYS H H 38 8.620 8.620 8.987 -0.367 18043 1888 1 15 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.554 0.066 18043 1889 1 15 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.708 0.867 18043 1890 1 15 . 1 1 39 39 ARG H H 39 8.525 8.525 8.726 -0.201 18043 1891 1 16 . 1 1 2 2 THR HA H 2 4.818 4.818 4.791 0.027 18043 1892 1 16 . 1 1 2 2 THR CB C 2 69.477 69.477 70.411 -0.934 18043 1893 1 16 . 1 1 2 2 THR H H 2 8.533 8.533 8.134 0.399 18043 1894 1 16 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.622 0.148 18043 1895 1 16 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.071 15.461 18043 1896 1 16 . 1 1 3 3 CYS H H 3 8.336 8.336 8.782 -0.446 18043 1897 1 16 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.569 0.042 18043 1898 1 16 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.985 -0.863 18043 1899 1 16 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.031 -0.423 18043 1900 1 16 . 1 1 4 4 ASP H H 4 8.225 8.225 7.735 0.490 18043 1901 1 16 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.776 -0.480 18043 1902 1 16 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.406 1.272 18043 1903 1 16 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.678 0.374 18043 1904 1 16 . 1 1 5 5 LEU H H 5 8.383 8.383 8.401 -0.018 18043 1905 1 16 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.193 0.234 18043 1906 1 16 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.766 -1.749 18043 1907 1 16 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.239 -0.131 18043 1908 1 16 . 1 1 6 6 LEU H H 6 8.297 8.297 7.987 0.310 18043 1909 1 16 . 1 1 7 7 SER HA H 7 4.455 4.455 4.475 -0.020 18043 1910 1 16 . 1 1 7 7 SER CA C 7 58.540 58.540 58.172 0.368 18043 1911 1 16 . 1 1 7 7 SER CB C 7 63.927 63.927 63.291 0.636 18043 1912 1 16 . 1 1 7 7 SER H H 7 8.176 8.176 8.533 -0.357 18043 1913 1 16 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.694 0.731 18043 1914 1 16 . 1 1 8 8 GLY H H 8 8.489 8.489 7.505 0.984 18043 1915 1 16 . 1 1 9 9 THR HA H 9 4.362 4.362 4.081 0.281 18043 1916 1 16 . 1 1 9 9 THR CA C 9 62.238 62.238 62.847 -0.610 18043 1917 1 16 . 1 1 9 9 THR CB C 9 69.659 69.659 69.232 0.427 18043 1918 1 16 . 1 1 9 9 THR H H 9 8.212 8.212 8.426 -0.214 18043 1919 1 16 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.462 -0.028 18043 1920 1 16 . 1 1 10 10 GLY H H 10 8.517 8.517 8.678 -0.161 18043 1921 1 16 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.618 0.498 18043 1922 1 16 . 1 1 11 11 VAL CA C 11 62.530 62.530 65.028 -2.498 18043 1923 1 16 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.799 0.679 18043 1924 1 16 . 1 1 11 11 VAL H H 11 7.925 7.925 7.975 -0.050 18043 1925 1 16 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.286 -0.017 18043 1926 1 16 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.045 0.754 18043 1927 1 16 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.800 2.043 18043 1928 1 16 . 1 1 12 12 LYS H H 12 8.354 8.354 8.164 0.190 18043 1929 1 16 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.514 0.267 18043 1930 1 16 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.724 0.729 18043 1931 1 16 . 1 1 13 13 HIS H H 13 8.412 8.412 8.524 -0.112 18043 1932 1 16 . 1 1 14 14 SER HA H 14 4.444 4.444 4.161 0.283 18043 1933 1 16 . 1 1 14 14 SER CA C 14 59.475 59.475 60.339 -0.864 18043 1934 1 16 . 1 1 14 14 SER CB C 14 63.530 63.530 62.651 0.879 18043 1935 1 16 . 1 1 14 14 SER H H 14 8.260 8.260 8.370 -0.110 18043 1936 1 16 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.096 0.258 18043 1937 1 16 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.031 -0.547 18043 1938 1 16 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.037 0.210 18043 1939 1 16 . 1 1 15 15 ALA H H 15 8.648 8.648 8.100 0.548 18043 1940 1 16 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.137 0.364 18043 1941 1 16 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.893 -4.776 18043 1942 1 16 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.408 10.393 18043 1943 1 16 . 1 1 16 16 CYS H H 16 8.496 8.496 7.852 0.644 18043 1944 1 16 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.030 -0.365 18043 1945 1 16 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.103 1.108 18043 1946 1 16 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.263 -0.503 18043 1947 1 16 . 1 1 17 17 ALA H H 17 8.445 8.445 8.137 0.308 18043 1948 1 16 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.923 0.159 18043 1949 1 16 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.106 0.116 18043 1950 1 16 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.356 -0.213 18043 1951 1 16 . 1 1 18 18 ALA H H 18 8.037 8.037 8.150 -0.113 18043 1952 1 16 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.262 0.090 18043 1953 1 16 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.239 -1.361 18043 1954 1 16 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.899 -1.357 18043 1955 1 16 . 1 1 19 19 HIS H H 19 8.124 8.124 8.293 -0.169 18043 1956 1 16 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.325 0.117 18043 1957 1 16 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.743 0.079 18043 1958 1 16 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.823 0.114 18043 1959 1 16 . 1 1 21 21 LEU H H 21 8.597 8.597 8.207 0.390 18043 1960 1 16 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.026 0.153 18043 1961 1 16 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.856 0.425 18043 1962 1 16 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.535 0.319 18043 1963 1 16 . 1 1 22 22 LEU H H 22 7.717 7.717 8.181 -0.464 18043 1964 1 16 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.343 0.042 18043 1965 1 16 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.691 -0.390 18043 1966 1 16 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.459 -0.275 18043 1967 1 16 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.260 0.196 18043 1968 1 16 . 1 1 24 24 GLY H H 24 7.865 7.865 8.215 -0.350 18043 1969 1 16 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.854 0.348 18043 1970 1 16 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.521 0.288 18043 1971 1 16 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.585 0.851 18043 1972 1 16 . 1 1 25 25 ASN H H 25 7.874 7.874 7.648 0.226 18043 1973 1 16 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.240 0.097 18043 1974 1 16 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.309 0.708 18043 1975 1 16 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.983 1.016 18043 1976 1 16 . 1 1 26 26 ARG H H 26 8.356 8.356 8.831 -0.475 18043 1977 1 16 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.226 0.606 18043 1978 1 16 . 1 1 27 27 GLY H H 27 7.764 7.764 7.508 0.256 18043 1979 1 16 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.738 2.322 18043 1980 1 16 . 1 1 28 28 GLY H H 28 8.290 8.290 8.200 0.090 18043 1981 1 16 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.129 -0.341 18043 1982 1 16 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.755 -0.118 18043 1983 1 16 . 1 1 29 29 TYR H H 29 8.835 8.835 8.125 0.710 18043 1984 1 16 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.367 -0.259 18043 1985 1 16 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.572 -2.482 18043 1986 1 16 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.200 14.502 18043 1987 1 16 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.895 0.025 18043 1988 1 16 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.728 -1.071 18043 1989 1 16 . 1 1 31 31 ASN H H 31 8.859 8.859 8.877 -0.018 18043 1990 1 16 . 1 1 32 32 GLY CA C 32 46.420 46.420 45.988 0.432 18043 1991 1 16 . 1 1 32 32 GLY H H 32 8.638 8.638 8.797 -0.159 18043 1992 1 16 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.407 0.054 18043 1993 1 16 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.120 -0.125 18043 1994 1 16 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.852 -0.019 18043 1995 1 16 . 1 1 33 33 ARG H H 33 7.714 7.714 7.589 0.125 18043 1996 1 16 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.863 -0.054 18043 1997 1 16 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.775 0.576 18043 1998 1 16 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.456 -1.006 18043 1999 1 16 . 1 1 34 34 ALA H H 34 8.306 8.306 7.807 0.499 18043 2000 1 16 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.390 -0.255 18043 2001 1 16 . 1 1 35 35 ILE CA C 35 59.171 59.171 59.935 -0.764 18043 2002 1 16 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.961 -1.094 18043 2003 1 16 . 1 1 35 35 ILE H H 35 7.512 7.512 7.385 0.127 18043 2004 1 16 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.142 -0.448 18043 2005 1 16 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.752 8.011 18043 2006 1 16 . 1 1 36 36 CYS H H 36 8.476 8.476 8.425 0.051 18043 2007 1 16 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.225 -0.241 18043 2008 1 16 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.730 0.804 18043 2009 1 16 . 1 1 37 37 VAL H H 37 9.182 9.182 8.882 0.300 18043 2010 1 16 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.603 0.837 18043 2011 1 16 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.150 -7.075 18043 2012 1 16 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.962 9.468 18043 2013 1 16 . 1 1 38 38 CYS H H 38 8.620 8.620 8.935 -0.315 18043 2014 1 16 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.482 0.138 18043 2015 1 16 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.422 1.153 18043 2016 1 16 . 1 1 39 39 ARG H H 39 8.525 8.525 8.813 -0.288 18043 2017 1 17 . 1 1 2 2 THR HA H 2 4.818 4.818 4.805 0.013 18043 2018 1 17 . 1 1 2 2 THR CB C 2 69.477 69.477 70.260 -0.784 18043 2019 1 17 . 1 1 2 2 THR H H 2 8.533 8.533 8.083 0.450 18043 2020 1 17 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.598 0.172 18043 2021 1 17 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.595 14.937 18043 2022 1 17 . 1 1 3 3 CYS H H 3 8.336 8.336 8.906 -0.570 18043 2023 1 17 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.577 0.034 18043 2024 1 17 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.810 -0.688 18043 2025 1 17 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.231 -0.623 18043 2026 1 17 . 1 1 4 4 ASP H H 4 8.225 8.225 8.007 0.218 18043 2027 1 17 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.710 -0.414 18043 2028 1 17 . 1 1 5 5 LEU CA C 5 55.677 55.677 53.930 1.747 18043 2029 1 17 . 1 1 5 5 LEU CB C 5 42.052 42.052 40.756 1.296 18043 2030 1 17 . 1 1 5 5 LEU H H 5 8.383 8.383 8.515 -0.132 18043 2031 1 17 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.244 0.183 18043 2032 1 17 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.617 -1.599 18043 2033 1 17 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.174 -0.066 18043 2034 1 17 . 1 1 6 6 LEU H H 6 8.297 8.297 7.964 0.333 18043 2035 1 17 . 1 1 7 7 SER HA H 7 4.455 4.455 4.420 0.035 18043 2036 1 17 . 1 1 7 7 SER CA C 7 58.540 58.540 58.230 0.310 18043 2037 1 17 . 1 1 7 7 SER CB C 7 63.927 63.927 63.447 0.480 18043 2038 1 17 . 1 1 7 7 SER H H 7 8.176 8.176 8.503 -0.327 18043 2039 1 17 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.816 0.609 18043 2040 1 17 . 1 1 8 8 GLY H H 8 8.489 8.489 7.505 0.984 18043 2041 1 17 . 1 1 9 9 THR HA H 9 4.362 4.362 4.072 0.290 18043 2042 1 17 . 1 1 9 9 THR CA C 9 62.238 62.238 62.922 -0.684 18043 2043 1 17 . 1 1 9 9 THR CB C 9 69.659 69.659 69.189 0.470 18043 2044 1 17 . 1 1 9 9 THR H H 9 8.212 8.212 8.363 -0.151 18043 2045 1 17 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.381 0.053 18043 2046 1 17 . 1 1 10 10 GLY H H 10 8.517 8.517 8.599 -0.082 18043 2047 1 17 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.663 0.453 18043 2048 1 17 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.494 -1.964 18043 2049 1 17 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.819 0.659 18043 2050 1 17 . 1 1 11 11 VAL H H 11 7.925 7.925 7.993 -0.068 18043 2051 1 17 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.187 0.082 18043 2052 1 17 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.797 1.002 18043 2053 1 17 . 1 1 12 12 LYS CB C 12 32.843 32.843 30.635 2.208 18043 2054 1 17 . 1 1 12 12 LYS H H 12 8.354 8.354 8.202 0.152 18043 2055 1 17 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.589 0.192 18043 2056 1 17 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.632 0.821 18043 2057 1 17 . 1 1 13 13 HIS H H 13 8.412 8.412 8.542 -0.130 18043 2058 1 17 . 1 1 14 14 SER HA H 14 4.444 4.444 4.160 0.284 18043 2059 1 17 . 1 1 14 14 SER CA C 14 59.475 59.475 60.328 -0.853 18043 2060 1 17 . 1 1 14 14 SER CB C 14 63.530 63.530 62.587 0.943 18043 2061 1 17 . 1 1 14 14 SER H H 14 8.260 8.260 8.386 -0.126 18043 2062 1 17 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.113 0.241 18043 2063 1 17 . 1 1 15 15 ALA CA C 15 54.484 54.484 54.967 -0.482 18043 2064 1 17 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.023 0.224 18043 2065 1 17 . 1 1 15 15 ALA H H 15 8.648 8.648 7.931 0.717 18043 2066 1 17 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.182 0.319 18043 2067 1 17 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.525 -4.407 18043 2068 1 17 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.290 10.511 18043 2069 1 17 . 1 1 16 16 CYS H H 16 8.496 8.496 7.893 0.603 18043 2070 1 17 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.090 -0.425 18043 2071 1 17 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.041 1.170 18043 2072 1 17 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.302 -0.542 18043 2073 1 17 . 1 1 17 17 ALA H H 17 8.445 8.445 7.473 0.972 18043 2074 1 17 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.920 0.162 18043 2075 1 17 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.074 0.148 18043 2076 1 17 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.327 -0.184 18043 2077 1 17 . 1 1 18 18 ALA H H 18 8.037 8.037 8.082 -0.045 18043 2078 1 17 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.355 -0.003 18043 2079 1 17 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.710 -0.832 18043 2080 1 17 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.908 -1.366 18043 2081 1 17 . 1 1 19 19 HIS H H 19 8.124 8.124 8.296 -0.172 18043 2082 1 17 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.326 0.116 18043 2083 1 17 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.804 0.018 18043 2084 1 17 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.873 0.064 18043 2085 1 17 . 1 1 21 21 LEU H H 21 8.597 8.597 8.322 0.275 18043 2086 1 17 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.035 0.144 18043 2087 1 17 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.720 0.561 18043 2088 1 17 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.527 0.327 18043 2089 1 17 . 1 1 22 22 LEU H H 22 7.717 7.717 8.152 -0.435 18043 2090 1 17 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.439 -0.054 18043 2091 1 17 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.422 -0.121 18043 2092 1 17 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.604 -0.420 18043 2093 1 17 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.341 0.115 18043 2094 1 17 . 1 1 24 24 GLY H H 24 7.865 7.865 8.255 -0.390 18043 2095 1 17 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.921 0.281 18043 2096 1 17 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.028 0.781 18043 2097 1 17 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.654 0.783 18043 2098 1 17 . 1 1 25 25 ASN H H 25 7.874 7.874 7.677 0.197 18043 2099 1 17 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.211 0.126 18043 2100 1 17 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.874 0.143 18043 2101 1 17 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.732 1.267 18043 2102 1 17 . 1 1 26 26 ARG H H 26 8.356 8.356 8.614 -0.258 18043 2103 1 17 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.524 0.308 18043 2104 1 17 . 1 1 27 27 GLY H H 27 7.764 7.764 7.557 0.207 18043 2105 1 17 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.284 2.776 18043 2106 1 17 . 1 1 28 28 GLY H H 28 8.290 8.290 8.099 0.191 18043 2107 1 17 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.111 -0.323 18043 2108 1 17 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.493 0.144 18043 2109 1 17 . 1 1 29 29 TYR H H 29 8.835 8.835 8.149 0.686 18043 2110 1 17 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.321 -0.213 18043 2111 1 17 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.553 -2.463 18043 2112 1 17 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.559 14.143 18043 2113 1 17 . 1 1 31 31 ASN HA H 31 4.920 4.920 5.048 -0.128 18043 2114 1 17 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.962 -1.304 18043 2115 1 17 . 1 1 31 31 ASN H H 31 8.859 8.859 8.870 -0.011 18043 2116 1 17 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.045 0.375 18043 2117 1 17 . 1 1 32 32 GLY H H 32 8.638 8.638 8.787 -0.149 18043 2118 1 17 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.415 0.046 18043 2119 1 17 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.097 -0.102 18043 2120 1 17 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.904 -0.071 18043 2121 1 17 . 1 1 33 33 ARG H H 33 7.714 7.714 7.586 0.128 18043 2122 1 17 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.879 -0.070 18043 2123 1 17 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.803 0.548 18043 2124 1 17 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.416 -0.966 18043 2125 1 17 . 1 1 34 34 ALA H H 34 8.306 8.306 7.820 0.486 18043 2126 1 17 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.429 -0.294 18043 2127 1 17 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.011 -0.840 18043 2128 1 17 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.746 -0.879 18043 2129 1 17 . 1 1 35 35 ILE H H 35 7.512 7.512 7.392 0.120 18043 2130 1 17 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.098 -0.404 18043 2131 1 17 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.643 8.120 18043 2132 1 17 . 1 1 36 36 CYS H H 36 8.476 8.476 8.449 0.027 18043 2133 1 17 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.225 -0.241 18043 2134 1 17 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.734 0.800 18043 2135 1 17 . 1 1 37 37 VAL H H 37 9.182 9.182 8.891 0.291 18043 2136 1 17 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.600 0.840 18043 2137 1 17 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.145 -7.070 18043 2138 1 17 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.896 9.534 18043 2139 1 17 . 1 1 38 38 CYS H H 38 8.620 8.620 8.940 -0.320 18043 2140 1 17 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.585 0.035 18043 2141 1 17 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.827 0.748 18043 2142 1 17 . 1 1 39 39 ARG H H 39 8.525 8.525 8.827 -0.302 18043 2143 1 18 . 1 1 2 2 THR HA H 2 4.818 4.818 4.900 -0.082 18043 2144 1 18 . 1 1 2 2 THR CB C 2 69.477 69.477 70.321 -0.844 18043 2145 1 18 . 1 1 2 2 THR H H 2 8.533 8.533 8.141 0.392 18043 2146 1 18 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.531 0.239 18043 2147 1 18 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.873 14.659 18043 2148 1 18 . 1 1 3 3 CYS H H 3 8.336 8.336 8.729 -0.393 18043 2149 1 18 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.470 0.141 18043 2150 1 18 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.606 -0.484 18043 2151 1 18 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.174 -0.566 18043 2152 1 18 . 1 1 4 4 ASP H H 4 8.225 8.225 7.737 0.488 18043 2153 1 18 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.617 -0.321 18043 2154 1 18 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.365 1.312 18043 2155 1 18 . 1 1 5 5 LEU CB C 5 42.052 42.052 40.616 1.436 18043 2156 1 18 . 1 1 5 5 LEU H H 5 8.383 8.383 8.513 -0.130 18043 2157 1 18 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.280 0.147 18043 2158 1 18 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.686 -1.669 18043 2159 1 18 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.350 -0.242 18043 2160 1 18 . 1 1 6 6 LEU H H 6 8.297 8.297 7.454 0.843 18043 2161 1 18 . 1 1 7 7 SER HA H 7 4.455 4.455 4.483 -0.028 18043 2162 1 18 . 1 1 7 7 SER CA C 7 58.540 58.540 58.283 0.257 18043 2163 1 18 . 1 1 7 7 SER CB C 7 63.927 63.927 63.892 0.035 18043 2164 1 18 . 1 1 7 7 SER H H 7 8.176 8.176 8.483 -0.307 18043 2165 1 18 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.659 0.766 18043 2166 1 18 . 1 1 8 8 GLY H H 8 8.489 8.489 7.403 1.086 18043 2167 1 18 . 1 1 9 9 THR HA H 9 4.362 4.362 4.101 0.261 18043 2168 1 18 . 1 1 9 9 THR CA C 9 62.238 62.238 62.848 -0.610 18043 2169 1 18 . 1 1 9 9 THR CB C 9 69.659 69.659 69.157 0.502 18043 2170 1 18 . 1 1 9 9 THR H H 9 8.212 8.212 8.437 -0.225 18043 2171 1 18 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.227 0.207 18043 2172 1 18 . 1 1 10 10 GLY H H 10 8.517 8.517 8.574 -0.057 18043 2173 1 18 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.867 0.249 18043 2174 1 18 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.015 -1.485 18043 2175 1 18 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.892 0.586 18043 2176 1 18 . 1 1 11 11 VAL H H 11 7.925 7.925 7.990 -0.065 18043 2177 1 18 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.270 -0.001 18043 2178 1 18 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.932 0.867 18043 2179 1 18 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.119 1.724 18043 2180 1 18 . 1 1 12 12 LYS H H 12 8.354 8.354 8.003 0.351 18043 2181 1 18 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.520 0.261 18043 2182 1 18 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.772 0.681 18043 2183 1 18 . 1 1 13 13 HIS H H 13 8.412 8.412 8.702 -0.290 18043 2184 1 18 . 1 1 14 14 SER HA H 14 4.444 4.444 4.168 0.276 18043 2185 1 18 . 1 1 14 14 SER CA C 14 59.475 59.475 60.226 -0.751 18043 2186 1 18 . 1 1 14 14 SER CB C 14 63.530 63.530 62.614 0.916 18043 2187 1 18 . 1 1 14 14 SER H H 14 8.260 8.260 8.390 -0.130 18043 2188 1 18 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.071 0.283 18043 2189 1 18 . 1 1 15 15 ALA CA C 15 54.484 54.484 54.999 -0.515 18043 2190 1 18 . 1 1 15 15 ALA CB C 15 18.247 18.247 17.990 0.257 18043 2191 1 18 . 1 1 15 15 ALA H H 15 8.648 8.648 8.025 0.623 18043 2192 1 18 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.113 0.388 18043 2193 1 18 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.660 -4.543 18043 2194 1 18 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.326 10.475 18043 2195 1 18 . 1 1 16 16 CYS H H 16 8.496 8.496 7.910 0.586 18043 2196 1 18 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.074 -0.409 18043 2197 1 18 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.062 1.149 18043 2198 1 18 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.306 -0.546 18043 2199 1 18 . 1 1 17 17 ALA H H 17 8.445 8.445 7.497 0.948 18043 2200 1 18 . 1 1 18 18 ALA HA H 18 4.082 4.082 4.026 0.056 18043 2201 1 18 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.012 0.210 18043 2202 1 18 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.206 -0.063 18043 2203 1 18 . 1 1 18 18 ALA H H 18 8.037 8.037 8.067 -0.030 18043 2204 1 18 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.276 0.076 18043 2205 1 18 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.210 -1.332 18043 2206 1 18 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.854 -1.312 18043 2207 1 18 . 1 1 19 19 HIS H H 19 8.124 8.124 8.283 -0.159 18043 2208 1 18 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.286 0.156 18043 2209 1 18 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.752 0.070 18043 2210 1 18 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.828 0.109 18043 2211 1 18 . 1 1 21 21 LEU H H 21 8.597 8.597 8.160 0.437 18043 2212 1 18 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.013 0.166 18043 2213 1 18 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.965 0.316 18043 2214 1 18 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.522 0.332 18043 2215 1 18 . 1 1 22 22 LEU H H 22 7.717 7.717 8.146 -0.429 18043 2216 1 18 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.319 0.066 18043 2217 1 18 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.769 -0.468 18043 2218 1 18 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.413 -0.229 18043 2219 1 18 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.171 0.285 18043 2220 1 18 . 1 1 24 24 GLY H H 24 7.865 7.865 8.244 -0.379 18043 2221 1 18 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.962 0.240 18043 2222 1 18 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.427 0.382 18043 2223 1 18 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.660 0.777 18043 2224 1 18 . 1 1 25 25 ASN H H 25 7.874 7.874 7.583 0.291 18043 2225 1 18 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.209 0.128 18043 2226 1 18 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.343 0.674 18043 2227 1 18 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.648 1.351 18043 2228 1 18 . 1 1 26 26 ARG H H 26 8.356 8.356 8.816 -0.460 18043 2229 1 18 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.405 0.427 18043 2230 1 18 . 1 1 27 27 GLY H H 27 7.764 7.764 7.530 0.234 18043 2231 1 18 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.426 2.634 18043 2232 1 18 . 1 1 28 28 GLY H H 28 8.290 8.290 8.227 0.062 18043 2233 1 18 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.102 -0.314 18043 2234 1 18 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.571 0.066 18043 2235 1 18 . 1 1 29 29 TYR H H 29 8.835 8.835 8.151 0.684 18043 2236 1 18 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.449 -0.341 18043 2237 1 18 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.653 -2.563 18043 2238 1 18 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.124 14.578 18043 2239 1 18 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.913 0.007 18043 2240 1 18 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.712 -1.055 18043 2241 1 18 . 1 1 31 31 ASN H H 31 8.859 8.859 8.896 -0.037 18043 2242 1 18 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.006 0.414 18043 2243 1 18 . 1 1 32 32 GLY H H 32 8.638 8.638 8.805 -0.167 18043 2244 1 18 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.439 0.022 18043 2245 1 18 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.125 -0.130 18043 2246 1 18 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.933 -0.101 18043 2247 1 18 . 1 1 33 33 ARG H H 33 7.714 7.714 7.594 0.120 18043 2248 1 18 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.986 -0.177 18043 2249 1 18 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.875 0.476 18043 2250 1 18 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.505 -1.055 18043 2251 1 18 . 1 1 34 34 ALA H H 34 8.306 8.306 7.919 0.387 18043 2252 1 18 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.468 -0.333 18043 2253 1 18 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.020 -0.849 18043 2254 1 18 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.851 -0.984 18043 2255 1 18 . 1 1 35 35 ILE H H 35 7.512 7.512 7.448 0.064 18043 2256 1 18 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.158 -0.464 18043 2257 1 18 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.587 8.176 18043 2258 1 18 . 1 1 36 36 CYS H H 36 8.476 8.476 8.480 -0.004 18043 2259 1 18 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.222 -0.238 18043 2260 1 18 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.692 0.842 18043 2261 1 18 . 1 1 37 37 VAL H H 37 9.182 9.182 8.862 0.320 18043 2262 1 18 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.557 0.883 18043 2263 1 18 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.200 -7.125 18043 2264 1 18 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.851 9.579 18043 2265 1 18 . 1 1 38 38 CYS H H 38 8.620 8.620 8.939 -0.319 18043 2266 1 18 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.567 0.053 18043 2267 1 18 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.724 0.851 18043 2268 1 18 . 1 1 39 39 ARG H H 39 8.525 8.525 8.793 -0.268 18043 2269 1 19 . 1 1 2 2 THR HA H 2 4.818 4.818 4.816 0.002 18043 2270 1 19 . 1 1 2 2 THR CB C 2 69.477 69.477 70.398 -0.921 18043 2271 1 19 . 1 1 2 2 THR H H 2 8.533 8.533 8.110 0.423 18043 2272 1 19 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.749 0.021 18043 2273 1 19 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.861 14.671 18043 2274 1 19 . 1 1 3 3 CYS H H 3 8.336 8.336 8.987 -0.651 18043 2275 1 19 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.646 -0.035 18043 2276 1 19 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.693 -1.571 18043 2277 1 19 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.062 -0.454 18043 2278 1 19 . 1 1 4 4 ASP H H 4 8.225 8.225 7.921 0.304 18043 2279 1 19 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.752 -0.456 18043 2280 1 19 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.033 1.644 18043 2281 1 19 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.481 0.571 18043 2282 1 19 . 1 1 5 5 LEU H H 5 8.383 8.383 8.295 0.088 18043 2283 1 19 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.151 0.276 18043 2284 1 19 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.831 -1.814 18043 2285 1 19 . 1 1 6 6 LEU CB C 6 42.108 42.108 41.872 0.236 18043 2286 1 19 . 1 1 6 6 LEU H H 6 8.297 8.297 7.911 0.386 18043 2287 1 19 . 1 1 7 7 SER HA H 7 4.455 4.455 4.481 -0.026 18043 2288 1 19 . 1 1 7 7 SER CA C 7 58.540 58.540 58.290 0.250 18043 2289 1 19 . 1 1 7 7 SER CB C 7 63.927 63.927 63.165 0.762 18043 2290 1 19 . 1 1 7 7 SER H H 7 8.176 8.176 8.363 -0.187 18043 2291 1 19 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.814 0.611 18043 2292 1 19 . 1 1 8 8 GLY H H 8 8.489 8.489 7.543 0.946 18043 2293 1 19 . 1 1 9 9 THR HA H 9 4.362 4.362 4.056 0.306 18043 2294 1 19 . 1 1 9 9 THR CA C 9 62.238 62.238 62.972 -0.734 18043 2295 1 19 . 1 1 9 9 THR CB C 9 69.659 69.659 69.245 0.414 18043 2296 1 19 . 1 1 9 9 THR H H 9 8.212 8.212 8.310 -0.098 18043 2297 1 19 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.308 0.126 18043 2298 1 19 . 1 1 10 10 GLY H H 10 8.517 8.517 8.545 -0.028 18043 2299 1 19 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.560 0.556 18043 2300 1 19 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.433 -1.903 18043 2301 1 19 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.777 0.701 18043 2302 1 19 . 1 1 11 11 VAL H H 11 7.925 7.925 7.887 0.038 18043 2303 1 19 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.246 0.023 18043 2304 1 19 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.998 0.801 18043 2305 1 19 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.240 1.603 18043 2306 1 19 . 1 1 12 12 LYS H H 12 8.354 8.354 7.993 0.361 18043 2307 1 19 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.422 0.359 18043 2308 1 19 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.475 0.978 18043 2309 1 19 . 1 1 13 13 HIS H H 13 8.412 8.412 8.699 -0.287 18043 2310 1 19 . 1 1 14 14 SER HA H 14 4.444 4.444 4.168 0.276 18043 2311 1 19 . 1 1 14 14 SER CA C 14 59.475 59.475 60.420 -0.945 18043 2312 1 19 . 1 1 14 14 SER CB C 14 63.530 63.530 62.548 0.982 18043 2313 1 19 . 1 1 14 14 SER H H 14 8.260 8.260 8.370 -0.110 18043 2314 1 19 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.090 0.264 18043 2315 1 19 . 1 1 15 15 ALA CA C 15 54.484 54.484 54.956 -0.472 18043 2316 1 19 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.022 0.225 18043 2317 1 19 . 1 1 15 15 ALA H H 15 8.648 8.648 8.072 0.576 18043 2318 1 19 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.199 0.302 18043 2319 1 19 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.511 -4.394 18043 2320 1 19 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.313 10.488 18043 2321 1 19 . 1 1 16 16 CYS H H 16 8.496 8.496 7.928 0.568 18043 2322 1 19 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.093 -0.428 18043 2323 1 19 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.061 1.150 18043 2324 1 19 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.303 -0.543 18043 2325 1 19 . 1 1 17 17 ALA H H 17 8.445 8.445 7.484 0.961 18043 2326 1 19 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.918 0.164 18043 2327 1 19 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.091 0.131 18043 2328 1 19 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.331 -0.188 18043 2329 1 19 . 1 1 18 18 ALA H H 18 8.037 8.037 8.084 -0.047 18043 2330 1 19 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.335 0.017 18043 2331 1 19 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.687 -0.809 18043 2332 1 19 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.912 -1.370 18043 2333 1 19 . 1 1 19 19 HIS H H 19 8.124 8.124 8.221 -0.097 18043 2334 1 19 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.318 0.124 18043 2335 1 19 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.804 0.018 18043 2336 1 19 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.869 0.068 18043 2337 1 19 . 1 1 21 21 LEU H H 21 8.597 8.597 8.302 0.295 18043 2338 1 19 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.036 0.143 18043 2339 1 19 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.702 0.579 18043 2340 1 19 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.500 0.354 18043 2341 1 19 . 1 1 22 22 LEU H H 22 7.717 7.717 8.115 -0.398 18043 2342 1 19 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.434 -0.049 18043 2343 1 19 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.454 -0.153 18043 2344 1 19 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.603 -0.419 18043 2345 1 19 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.336 0.120 18043 2346 1 19 . 1 1 24 24 GLY H H 24 7.865 7.865 8.258 -0.393 18043 2347 1 19 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.913 0.289 18043 2348 1 19 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.062 0.747 18043 2349 1 19 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.654 0.782 18043 2350 1 19 . 1 1 25 25 ASN H H 25 7.874 7.874 7.649 0.225 18043 2351 1 19 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.215 0.122 18043 2352 1 19 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.850 0.167 18043 2353 1 19 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.696 1.303 18043 2354 1 19 . 1 1 26 26 ARG H H 26 8.356 8.356 8.617 -0.261 18043 2355 1 19 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.525 0.307 18043 2356 1 19 . 1 1 27 27 GLY H H 27 7.764 7.764 7.550 0.214 18043 2357 1 19 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.178 2.882 18043 2358 1 19 . 1 1 28 28 GLY H H 28 8.290 8.290 8.093 0.197 18043 2359 1 19 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.114 -0.326 18043 2360 1 19 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.511 0.126 18043 2361 1 19 . 1 1 29 29 TYR H H 29 8.835 8.835 8.244 0.591 18043 2362 1 19 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.381 -0.273 18043 2363 1 19 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.640 -2.550 18043 2364 1 19 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.375 14.327 18043 2365 1 19 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.902 0.018 18043 2366 1 19 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.628 -0.971 18043 2367 1 19 . 1 1 31 31 ASN H H 31 8.859 8.859 8.893 -0.034 18043 2368 1 19 . 1 1 32 32 GLY CA C 32 46.420 46.420 45.984 0.436 18043 2369 1 19 . 1 1 32 32 GLY H H 32 8.638 8.638 8.778 -0.140 18043 2370 1 19 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.412 0.049 18043 2371 1 19 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.101 -0.106 18043 2372 1 19 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.905 -0.072 18043 2373 1 19 . 1 1 33 33 ARG H H 33 7.714 7.714 7.558 0.156 18043 2374 1 19 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.918 -0.109 18043 2375 1 19 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.834 0.517 18043 2376 1 19 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.504 -1.054 18043 2377 1 19 . 1 1 34 34 ALA H H 34 8.306 8.306 7.836 0.470 18043 2378 1 19 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.387 -0.252 18043 2379 1 19 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.026 -0.855 18043 2380 1 19 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.975 -1.108 18043 2381 1 19 . 1 1 35 35 ILE H H 35 7.512 7.512 7.401 0.111 18043 2382 1 19 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.122 -0.428 18043 2383 1 19 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.721 8.042 18043 2384 1 19 . 1 1 36 36 CYS H H 36 8.476 8.476 8.455 0.021 18043 2385 1 19 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.232 -0.248 18043 2386 1 19 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.722 0.812 18043 2387 1 19 . 1 1 37 37 VAL H H 37 9.182 9.182 8.904 0.278 18043 2388 1 19 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.613 0.827 18043 2389 1 19 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.119 -7.044 18043 2390 1 19 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.940 9.490 18043 2391 1 19 . 1 1 38 38 CYS H H 38 8.620 8.620 8.946 -0.326 18043 2392 1 19 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.580 0.040 18043 2393 1 19 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.758 0.817 18043 2394 1 19 . 1 1 39 39 ARG H H 39 8.525 8.525 8.832 -0.307 18043 2395 1 20 . 1 1 2 2 THR HA H 2 4.818 4.818 4.905 -0.087 18043 2396 1 20 . 1 1 2 2 THR CB C 2 69.477 69.477 70.341 -0.864 18043 2397 1 20 . 1 1 2 2 THR H H 2 8.533 8.533 8.147 0.386 18043 2398 1 20 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.538 0.232 18043 2399 1 20 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.762 14.770 18043 2400 1 20 . 1 1 3 3 CYS H H 3 8.336 8.336 8.729 -0.393 18043 2401 1 20 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.475 0.136 18043 2402 1 20 . 1 1 4 4 ASP CA C 4 54.122 54.122 54.720 -0.598 18043 2403 1 20 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.179 -0.571 18043 2404 1 20 . 1 1 4 4 ASP H H 4 8.225 8.225 7.727 0.498 18043 2405 1 20 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.705 -0.409 18043 2406 1 20 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.182 1.495 18043 2407 1 20 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.432 0.620 18043 2408 1 20 . 1 1 5 5 LEU H H 5 8.383 8.383 8.297 0.086 18043 2409 1 20 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.223 0.204 18043 2410 1 20 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.478 -1.461 18043 2411 1 20 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.190 -0.082 18043 2412 1 20 . 1 1 6 6 LEU H H 6 8.297 8.297 7.850 0.447 18043 2413 1 20 . 1 1 7 7 SER HA H 7 4.455 4.455 4.422 0.033 18043 2414 1 20 . 1 1 7 7 SER CA C 7 58.540 58.540 58.132 0.408 18043 2415 1 20 . 1 1 7 7 SER CB C 7 63.927 63.927 63.593 0.334 18043 2416 1 20 . 1 1 7 7 SER H H 7 8.176 8.176 8.548 -0.372 18043 2417 1 20 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.566 0.859 18043 2418 1 20 . 1 1 8 8 GLY H H 8 8.489 8.489 7.480 1.009 18043 2419 1 20 . 1 1 9 9 THR HA H 9 4.362 4.362 4.139 0.223 18043 2420 1 20 . 1 1 9 9 THR CA C 9 62.238 62.238 62.847 -0.609 18043 2421 1 20 . 1 1 9 9 THR CB C 9 69.659 69.659 69.282 0.377 18043 2422 1 20 . 1 1 9 9 THR H H 9 8.212 8.212 8.369 -0.157 18043 2423 1 20 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.224 0.210 18043 2424 1 20 . 1 1 10 10 GLY H H 10 8.517 8.517 8.569 -0.052 18043 2425 1 20 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.835 0.281 18043 2426 1 20 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.111 -1.581 18043 2427 1 20 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.881 0.597 18043 2428 1 20 . 1 1 11 11 VAL H H 11 7.925 7.925 7.991 -0.066 18043 2429 1 20 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.275 -0.006 18043 2430 1 20 . 1 1 12 12 LYS CA C 12 56.799 56.799 55.927 0.872 18043 2431 1 20 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.302 1.541 18043 2432 1 20 . 1 1 12 12 LYS H H 12 8.354 8.354 7.990 0.364 18043 2433 1 20 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.392 0.389 18043 2434 1 20 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.799 0.653 18043 2435 1 20 . 1 1 13 13 HIS H H 13 8.412 8.412 8.823 -0.411 18043 2436 1 20 . 1 1 14 14 SER HA H 14 4.444 4.444 4.168 0.276 18043 2437 1 20 . 1 1 14 14 SER CA C 14 59.475 59.475 60.220 -0.745 18043 2438 1 20 . 1 1 14 14 SER CB C 14 63.530 63.530 62.612 0.918 18043 2439 1 20 . 1 1 14 14 SER H H 14 8.260 8.260 8.386 -0.126 18043 2440 1 20 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.073 0.281 18043 2441 1 20 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.029 -0.545 18043 2442 1 20 . 1 1 15 15 ALA CB C 15 18.247 18.247 17.989 0.258 18043 2443 1 20 . 1 1 15 15 ALA H H 15 8.648 8.648 8.066 0.582 18043 2444 1 20 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.099 0.402 18043 2445 1 20 . 1 1 16 16 CYS CA C 16 57.117 57.117 62.069 -4.952 18043 2446 1 20 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.474 10.327 18043 2447 1 20 . 1 1 16 16 CYS H H 16 8.496 8.496 7.825 0.671 18043 2448 1 20 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.032 -0.367 18043 2449 1 20 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.041 1.170 18043 2450 1 20 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.261 -0.501 18043 2451 1 20 . 1 1 17 17 ALA H H 17 8.445 8.445 8.118 0.327 18043 2452 1 20 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.922 0.160 18043 2453 1 20 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.076 0.146 18043 2454 1 20 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.347 -0.204 18043 2455 1 20 . 1 1 18 18 ALA H H 18 8.037 8.037 8.191 -0.154 18043 2456 1 20 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.282 0.070 18043 2457 1 20 . 1 1 19 19 HIS CA C 19 58.878 58.878 60.157 -1.278 18043 2458 1 20 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.836 -1.294 18043 2459 1 20 . 1 1 19 19 HIS H H 19 8.124 8.124 8.268 -0.144 18043 2460 1 20 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.295 0.147 18043 2461 1 20 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.743 0.079 18043 2462 1 20 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.831 0.106 18043 2463 1 20 . 1 1 21 21 LEU H H 21 8.597 8.597 8.142 0.455 18043 2464 1 20 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.012 0.167 18043 2465 1 20 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.964 0.317 18043 2466 1 20 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.521 0.333 18043 2467 1 20 . 1 1 22 22 LEU H H 22 7.717 7.717 8.133 -0.416 18043 2468 1 20 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.325 0.060 18043 2469 1 20 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.749 -0.448 18043 2470 1 20 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.413 -0.229 18043 2471 1 20 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.200 0.256 18043 2472 1 20 . 1 1 24 24 GLY H H 24 7.865 7.865 8.253 -0.388 18043 2473 1 20 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.928 0.274 18043 2474 1 20 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.430 0.379 18043 2475 1 20 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.576 0.860 18043 2476 1 20 . 1 1 25 25 ASN H H 25 7.874 7.874 7.573 0.301 18043 2477 1 20 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.199 0.138 18043 2478 1 20 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.764 0.253 18043 2479 1 20 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.877 1.123 18043 2480 1 20 . 1 1 26 26 ARG H H 26 8.356 8.356 8.795 -0.439 18043 2481 1 20 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.480 0.352 18043 2482 1 20 . 1 1 27 27 GLY H H 27 7.764 7.764 7.510 0.254 18043 2483 1 20 . 1 1 28 28 GLY CA C 28 47.060 47.060 43.889 3.171 18043 2484 1 20 . 1 1 28 28 GLY H H 28 8.290 8.290 8.107 0.183 18043 2485 1 20 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.121 -0.333 18043 2486 1 20 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.488 0.149 18043 2487 1 20 . 1 1 29 29 TYR H H 29 8.835 8.835 8.244 0.591 18043 2488 1 20 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.461 -0.353 18043 2489 1 20 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.607 -2.517 18043 2490 1 20 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.249 14.453 18043 2491 1 20 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.902 0.018 18043 2492 1 20 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.689 -1.032 18043 2493 1 20 . 1 1 31 31 ASN H H 31 8.859 8.859 8.894 -0.035 18043 2494 1 20 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.010 0.410 18043 2495 1 20 . 1 1 32 32 GLY H H 32 8.638 8.638 8.805 -0.167 18043 2496 1 20 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.441 0.020 18043 2497 1 20 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.123 -0.128 18043 2498 1 20 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.930 -0.097 18043 2499 1 20 . 1 1 33 33 ARG H H 33 7.714 7.714 7.587 0.127 18043 2500 1 20 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.973 -0.164 18043 2501 1 20 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.858 0.493 18043 2502 1 20 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.490 -1.040 18043 2503 1 20 . 1 1 34 34 ALA H H 34 8.306 8.306 7.921 0.385 18043 2504 1 20 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.471 -0.336 18043 2505 1 20 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.027 -0.856 18043 2506 1 20 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.849 -0.982 18043 2507 1 20 . 1 1 35 35 ILE H H 35 7.512 7.512 7.449 0.063 18043 2508 1 20 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.159 -0.465 18043 2509 1 20 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.611 8.152 18043 2510 1 20 . 1 1 36 36 CYS H H 36 8.476 8.476 8.469 0.007 18043 2511 1 20 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.224 -0.240 18043 2512 1 20 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.681 0.853 18043 2513 1 20 . 1 1 37 37 VAL H H 37 9.182 9.182 8.839 0.343 18043 2514 1 20 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.570 0.870 18043 2515 1 20 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.213 -7.138 18043 2516 1 20 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.871 9.559 18043 2517 1 20 . 1 1 38 38 CYS H H 38 8.620 8.620 8.935 -0.315 18043 2518 1 20 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.597 0.023 18043 2519 1 20 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.812 0.763 18043 2520 1 20 . 1 1 39 39 ARG H H 39 8.525 8.525 8.810 -0.285 18043 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 18043 2 1 1 "Average Difference" HA 43 0.311 -0.086 0.302 18043 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18043 4 1 1 "Average Difference" CA 30 1.808 0.382 1.797 18043 5 1 1 "Average Difference" CB 30 4.886 -1.990 4.539 18043 6 1 1 "Average Difference" HN 35 0.370 -0.095 0.363 18043 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18043 8 1 2 "Average Difference" HA 43 0.317 -0.091 0.308 18043 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18043 10 1 2 "Average Difference" CA 30 1.861 0.418 1.844 18043 11 1 2 "Average Difference" CB 30 4.859 -2.007 4.501 18043 12 1 2 "Average Difference" HN 35 0.339 -0.085 0.333 18043 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18043 14 1 3 "Average Difference" HA 43 0.316 -0.098 0.304 18043 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18043 16 1 3 "Average Difference" CA 30 1.877 0.386 1.868 18043 17 1 3 "Average Difference" CB 30 4.923 -2.061 4.547 18043 18 1 3 "Average Difference" HN 35 0.388 -0.100 0.380 18043 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18043 20 1 4 "Average Difference" HA 43 0.319 -0.093 0.309 18043 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18043 22 1 4 "Average Difference" CA 30 1.836 0.418 1.819 18043 23 1 4 "Average Difference" CB 30 4.829 -1.975 4.481 18043 24 1 4 "Average Difference" HN 35 0.345 -0.090 0.337 18043 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18043 26 1 5 "Average Difference" HA 43 0.306 -0.095 0.294 18043 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18043 28 1 5 "Average Difference" CA 30 1.815 0.439 1.791 18043 29 1 5 "Average Difference" CB 30 4.892 -1.967 4.555 18043 30 1 5 "Average Difference" HN 35 0.362 -0.094 0.354 18043 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18043 32 1 6 "Average Difference" HA 43 0.305 -0.091 0.295 18043 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18043 34 1 6 "Average Difference" CA 30 1.860 0.407 1.846 18043 35 1 6 "Average Difference" CB 30 4.892 -1.977 4.551 18043 36 1 6 "Average Difference" HN 35 0.367 -0.089 0.361 18043 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18043 38 1 7 "Average Difference" HA 43 0.309 -0.089 0.300 18043 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18043 40 1 7 "Average Difference" CA 30 1.821 0.383 1.810 18043 41 1 7 "Average Difference" CB 30 4.868 -2.005 4.512 18043 42 1 7 "Average Difference" HN 35 0.378 -0.098 0.371 18043 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18043 44 1 8 "Average Difference" HA 43 0.315 -0.084 0.308 18043 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18043 46 1 8 "Average Difference" CA 30 1.829 0.403 1.814 18043 47 1 8 "Average Difference" CB 30 4.903 -2.024 4.542 18043 48 1 8 "Average Difference" HN 35 0.369 -0.102 0.360 18043 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18043 50 1 9 "Average Difference" HA 43 0.307 -0.081 0.300 18043 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18043 52 1 9 "Average Difference" CA 30 1.872 0.425 1.854 18043 53 1 9 "Average Difference" CB 30 4.953 -2.029 4.596 18043 54 1 9 "Average Difference" HN 35 0.384 -0.102 0.376 18043 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18043 56 1 10 "Average Difference" HA 43 0.319 -0.083 0.311 18043 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18043 58 1 10 "Average Difference" CA 30 1.830 0.424 1.811 18043 59 1 10 "Average Difference" CB 30 4.841 -1.978 4.494 18043 60 1 10 "Average Difference" HN 35 0.382 -0.096 0.375 18043 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18043 62 1 11 "Average Difference" HA 43 0.309 -0.091 0.299 18043 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18043 64 1 11 "Average Difference" CA 30 1.800 0.419 1.781 18043 65 1 11 "Average Difference" CB 30 4.861 -1.973 4.519 18043 66 1 11 "Average Difference" HN 35 0.374 -0.088 0.368 18043 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18043 68 1 12 "Average Difference" HA 43 0.310 -0.071 0.306 18043 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18043 70 1 12 "Average Difference" CA 30 1.855 0.403 1.842 18043 71 1 12 "Average Difference" CB 30 4.933 -2.005 4.584 18043 72 1 12 "Average Difference" HN 35 0.383 -0.105 0.374 18043 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18043 74 1 13 "Average Difference" HA 43 0.310 -0.076 0.304 18043 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18043 76 1 13 "Average Difference" CA 30 1.845 0.401 1.832 18043 77 1 13 "Average Difference" CB 30 4.937 -2.007 4.588 18043 78 1 13 "Average Difference" HN 35 0.387 -0.106 0.378 18043 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18043 80 1 14 "Average Difference" HA 43 0.322 -0.083 0.315 18043 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18043 82 1 14 "Average Difference" CA 30 1.891 0.414 1.877 18043 83 1 14 "Average Difference" CB 30 4.847 -1.992 4.494 18043 84 1 14 "Average Difference" HN 35 0.375 -0.094 0.368 18043 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18043 86 1 15 "Average Difference" HA 43 0.314 -0.076 0.308 18043 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18043 88 1 15 "Average Difference" CA 30 1.860 0.415 1.844 18043 89 1 15 "Average Difference" CB 30 4.952 -2.033 4.593 18043 90 1 15 "Average Difference" HN 35 0.387 -0.107 0.377 18043 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18043 92 1 16 "Average Difference" HA 43 0.302 -0.101 0.289 18043 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18043 94 1 16 "Average Difference" CA 30 1.870 0.445 1.847 18043 95 1 16 "Average Difference" CB 30 4.925 -2.004 4.576 18043 96 1 16 "Average Difference" HN 35 0.367 -0.081 0.363 18043 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18043 98 1 17 "Average Difference" HA 43 0.310 -0.077 0.304 18043 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18043 100 1 17 "Average Difference" CA 30 1.835 0.355 1.831 18043 101 1 17 "Average Difference" CB 30 4.862 -2.016 4.500 18043 102 1 17 "Average Difference" HN 35 0.391 -0.096 0.385 18043 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18043 104 1 18 "Average Difference" HA 43 0.296 -0.075 0.290 18043 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18043 106 1 18 "Average Difference" CA 30 1.832 0.375 1.824 18043 107 1 18 "Average Difference" CB 30 4.873 -2.003 4.518 18043 108 1 18 "Average Difference" HN 35 0.424 -0.116 0.414 18043 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18043 110 1 19 "Average Difference" HA 43 0.321 -0.080 0.314 18043 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18043 112 1 19 "Average Difference" CA 30 1.857 0.402 1.844 18043 113 1 19 "Average Difference" CB 30 4.835 -1.995 4.479 18043 114 1 19 "Average Difference" HN 35 0.382 -0.110 0.372 18043 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18043 116 1 20 "Average Difference" HA 43 0.315 -0.076 0.309 18043 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18043 118 1 20 "Average Difference" CA 30 1.894 0.371 1.889 18043 119 1 20 "Average Difference" CB 30 4.848 -1.967 4.507 18043 120 1 20 "Average Difference" HN 35 0.376 -0.090 0.371 18043 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 18043 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR HA H 2 4.818 4.818 4.822 -0.004 18043 2 1 . 1 1 2 2 THR CB C 2 69.477 69.477 70.401 -0.924 18043 3 1 . 1 1 2 2 THR H H 2 8.533 8.533 8.122 0.411 18043 4 1 . 1 1 3 3 CYS HA H 3 4.770 4.770 4.600 0.170 18043 5 1 . 1 1 3 3 CYS CB C 3 41.532 41.532 26.525 15.007 18043 6 1 . 1 1 3 3 CYS H H 3 8.336 8.336 8.779 -0.443 18043 7 1 . 1 1 4 4 ASP HA H 4 4.611 4.611 4.560 0.051 18043 8 1 . 1 1 4 4 ASP CA C 4 54.122 54.122 55.000 -0.878 18043 9 1 . 1 1 4 4 ASP CB C 4 41.608 41.608 42.044 -0.436 18043 10 1 . 1 1 4 4 ASP H H 4 8.225 8.225 7.804 0.421 18043 11 1 . 1 1 5 5 LEU HA H 5 4.296 4.296 4.747 -0.451 18043 12 1 . 1 1 5 5 LEU CA C 5 55.677 55.677 54.331 1.346 18043 13 1 . 1 1 5 5 LEU CB C 5 42.052 42.052 41.435 0.617 18043 14 1 . 1 1 5 5 LEU H H 5 8.383 8.383 8.370 0.013 18043 15 1 . 1 1 6 6 LEU HA H 6 4.427 4.427 4.212 0.215 18043 16 1 . 1 1 6 6 LEU CA C 6 55.017 55.017 56.702 -1.685 18043 17 1 . 1 1 6 6 LEU CB C 6 42.108 42.108 42.129 -0.021 18043 18 1 . 1 1 6 6 LEU H H 6 8.297 8.297 7.869 0.428 18043 19 1 . 1 1 7 7 SER HA H 7 4.455 4.455 4.467 -0.012 18043 20 1 . 1 1 7 7 SER CA C 7 58.540 58.540 58.265 0.275 18043 21 1 . 1 1 7 7 SER CB C 7 63.927 63.927 63.439 0.488 18043 22 1 . 1 1 7 7 SER H H 7 8.176 8.176 8.432 -0.256 18043 23 1 . 1 1 8 8 GLY CA C 8 45.425 45.425 44.749 0.676 18043 24 1 . 1 1 8 8 GLY H H 8 8.489 8.489 7.515 0.974 18043 25 1 . 1 1 9 9 THR HA H 9 4.362 4.362 4.086 0.276 18043 26 1 . 1 1 9 9 THR CA C 9 62.238 62.238 62.959 -0.721 18043 27 1 . 1 1 9 9 THR CB C 9 69.659 69.659 69.241 0.418 18043 28 1 . 1 1 9 9 THR H H 9 8.212 8.212 8.354 -0.142 18043 29 1 . 1 1 10 10 GLY CA C 10 45.434 45.434 45.332 0.102 18043 30 1 . 1 1 10 10 GLY H H 10 8.517 8.517 8.576 -0.059 18043 31 1 . 1 1 11 11 VAL HA H 11 4.116 4.116 3.689 0.427 18043 32 1 . 1 1 11 11 VAL CA C 11 62.530 62.530 64.492 -1.962 18043 33 1 . 1 1 11 11 VAL CB C 11 32.478 32.478 31.810 0.668 18043 34 1 . 1 1 11 11 VAL H H 11 7.925 7.925 7.972 -0.047 18043 35 1 . 1 1 12 12 LYS HA H 12 4.269 4.269 4.249 0.020 18043 36 1 . 1 1 12 12 LYS CA C 12 56.799 56.799 56.058 0.741 18043 37 1 . 1 1 12 12 LYS CB C 12 32.843 32.843 31.033 1.810 18043 38 1 . 1 1 12 12 LYS H H 12 8.354 8.354 8.139 0.215 18043 39 1 . 1 1 13 13 HIS HA H 13 4.781 4.781 4.437 0.344 18043 40 1 . 1 1 13 13 HIS CB C 13 30.453 30.453 29.730 0.722 18043 41 1 . 1 1 13 13 HIS H H 13 8.412 8.412 8.677 -0.265 18043 42 1 . 1 1 14 14 SER HA H 14 4.444 4.444 4.163 0.281 18043 43 1 . 1 1 14 14 SER CA C 14 59.475 59.475 60.299 -0.824 18043 44 1 . 1 1 14 14 SER CB C 14 63.530 63.530 62.613 0.916 18043 45 1 . 1 1 14 14 SER H H 14 8.260 8.260 8.383 -0.123 18043 46 1 . 1 1 15 15 ALA HA H 15 4.354 4.354 4.095 0.259 18043 47 1 . 1 1 15 15 ALA CA C 15 54.484 54.484 55.036 -0.552 18043 48 1 . 1 1 15 15 ALA CB C 15 18.247 18.247 18.012 0.234 18043 49 1 . 1 1 15 15 ALA H H 15 8.648 8.648 8.094 0.554 18043 50 1 . 1 1 16 16 CYS HA H 16 4.501 4.501 4.155 0.346 18043 51 1 . 1 1 16 16 CYS CA C 16 57.117 57.117 61.615 -4.498 18043 52 1 . 1 1 16 16 CYS CB C 16 35.801 35.801 25.348 10.453 18043 53 1 . 1 1 16 16 CYS H H 16 8.496 8.496 7.866 0.630 18043 54 1 . 1 1 17 17 ALA HA H 17 3.665 3.665 4.053 -0.388 18043 55 1 . 1 1 17 17 ALA CA C 17 56.211 56.211 55.072 1.139 18043 56 1 . 1 1 17 17 ALA CB C 17 17.760 17.760 18.310 -0.550 18043 57 1 . 1 1 17 17 ALA H H 17 8.445 8.445 7.816 0.629 18043 58 1 . 1 1 18 18 ALA HA H 18 4.082 4.082 3.937 0.145 18043 59 1 . 1 1 18 18 ALA CA C 18 55.222 55.222 55.084 0.138 18043 60 1 . 1 1 18 18 ALA CB C 18 18.143 18.143 18.324 -0.181 18043 61 1 . 1 1 18 18 ALA H H 18 8.037 8.037 8.202 -0.165 18043 62 1 . 1 1 19 19 HIS HA H 19 4.352 4.352 4.298 0.054 18043 63 1 . 1 1 19 19 HIS CA C 19 58.878 58.878 59.936 -1.058 18043 64 1 . 1 1 19 19 HIS CB C 19 28.542 28.542 29.884 -1.342 18043 65 1 . 1 1 19 19 HIS H H 19 8.124 8.124 8.238 -0.114 18043 66 1 . 1 1 21 21 LEU HA H 21 4.442 4.442 4.307 0.135 18043 67 1 . 1 1 21 21 LEU CA C 21 57.822 57.822 57.767 0.055 18043 68 1 . 1 1 21 21 LEU CB C 21 41.937 41.937 41.846 0.091 18043 69 1 . 1 1 21 21 LEU H H 21 8.597 8.597 8.228 0.369 18043 70 1 . 1 1 22 22 LEU HA H 22 4.179 4.179 4.028 0.151 18043 71 1 . 1 1 22 22 LEU CA C 22 57.281 57.281 56.816 0.465 18043 72 1 . 1 1 22 22 LEU CB C 22 41.854 41.854 41.515 0.339 18043 73 1 . 1 1 22 22 LEU H H 22 7.717 7.717 8.132 -0.415 18043 74 1 . 1 1 23 23 ARG HA H 23 4.385 4.385 4.382 0.003 18043 75 1 . 1 1 23 23 ARG CA C 23 55.301 55.301 55.597 -0.296 18043 76 1 . 1 1 23 23 ARG CB C 23 30.184 30.184 30.516 -0.332 18043 77 1 . 1 1 24 24 GLY CA C 24 45.456 45.456 45.268 0.188 18043 78 1 . 1 1 24 24 GLY H H 24 7.865 7.865 8.257 -0.392 18043 79 1 . 1 1 25 25 ASN HA H 25 5.202 5.202 4.908 0.294 18043 80 1 . 1 1 25 25 ASN CA C 25 52.809 52.809 52.383 0.426 18043 81 1 . 1 1 25 25 ASN CB C 25 40.436 40.436 39.601 0.835 18043 82 1 . 1 1 25 25 ASN H H 25 7.874 7.874 7.615 0.259 18043 83 1 . 1 1 26 26 ARG HA H 26 4.337 4.337 4.210 0.127 18043 84 1 . 1 1 26 26 ARG CA C 26 57.017 57.017 56.659 0.358 18043 85 1 . 1 1 26 26 ARG CB C 26 30.999 30.999 29.786 1.213 18043 86 1 . 1 1 26 26 ARG H H 26 8.356 8.356 8.757 -0.401 18043 87 1 . 1 1 27 27 GLY CA C 27 44.832 44.832 44.479 0.353 18043 88 1 . 1 1 27 27 GLY H H 27 7.764 7.764 7.540 0.224 18043 89 1 . 1 1 28 28 GLY CA C 28 47.060 47.060 44.189 2.871 18043 90 1 . 1 1 28 28 GLY H H 28 8.290 8.290 8.109 0.181 18043 91 1 . 1 1 29 29 TYR HA H 29 4.788 4.788 5.120 -0.332 18043 92 1 . 1 1 29 29 TYR CB C 29 40.637 40.637 40.515 0.122 18043 93 1 . 1 1 29 29 TYR H H 29 8.835 8.835 8.199 0.636 18043 94 1 . 1 1 30 30 CYS HA H 30 5.108 5.108 5.384 -0.276 18043 95 1 . 1 1 30 30 CYS CA C 30 55.090 55.090 57.612 -2.522 18043 96 1 . 1 1 30 30 CYS CB C 30 42.702 42.702 28.280 14.422 18043 97 1 . 1 1 31 31 ASN HA H 31 4.920 4.920 4.922 -0.002 18043 98 1 . 1 1 31 31 ASN CB C 31 38.657 38.657 39.648 -0.991 18043 99 1 . 1 1 31 31 ASN H H 31 8.859 8.859 8.869 -0.010 18043 100 1 . 1 1 32 32 GLY CA C 32 46.420 46.420 46.015 0.405 18043 101 1 . 1 1 32 32 GLY H H 32 8.638 8.638 8.793 -0.154 18043 102 1 . 1 1 33 33 ARG HA H 33 4.461 4.461 4.417 0.044 18043 103 1 . 1 1 33 33 ARG CA C 33 54.995 54.995 55.120 -0.125 18043 104 1 . 1 1 33 33 ARG CB C 33 29.833 29.833 29.901 -0.068 18043 105 1 . 1 1 33 33 ARG H H 33 7.714 7.714 7.582 0.132 18043 106 1 . 1 1 34 34 ALA HA H 34 3.809 3.809 3.898 -0.089 18043 107 1 . 1 1 34 34 ALA CA C 34 53.351 53.351 52.809 0.542 18043 108 1 . 1 1 34 34 ALA CB C 34 16.450 16.450 17.458 -1.008 18043 109 1 . 1 1 34 34 ALA H H 34 8.306 8.306 7.854 0.452 18043 110 1 . 1 1 35 35 ILE HA H 35 4.135 4.135 4.371 -0.236 18043 111 1 . 1 1 35 35 ILE CA C 35 59.171 59.171 60.006 -0.835 18043 112 1 . 1 1 35 35 ILE CB C 35 38.867 38.867 39.939 -1.072 18043 113 1 . 1 1 35 35 ILE H H 35 7.512 7.512 7.403 0.109 18043 114 1 . 1 1 36 36 CYS HA H 36 4.694 4.694 5.096 -0.402 18043 115 1 . 1 1 36 36 CYS CB C 36 35.763 35.763 27.606 8.157 18043 116 1 . 1 1 36 36 CYS H H 36 8.476 8.476 8.415 0.061 18043 117 1 . 1 1 37 37 VAL HA H 37 3.984 3.984 4.220 -0.236 18043 118 1 . 1 1 37 37 VAL CA C 37 61.534 61.534 60.710 0.824 18043 119 1 . 1 1 37 37 VAL H H 37 9.182 9.182 8.893 0.289 18043 120 1 . 1 1 38 38 CYS HA H 38 5.440 5.440 4.585 0.855 18043 121 1 . 1 1 38 38 CYS CA C 38 52.075 52.075 59.150 -7.075 18043 122 1 . 1 1 38 38 CYS CB C 38 36.430 36.430 26.880 9.550 18043 123 1 . 1 1 38 38 CYS H H 38 8.620 8.620 8.937 -0.317 18043 124 1 . 1 1 39 39 ARG HA H 39 4.620 4.620 4.558 0.062 18043 125 1 . 1 1 39 39 ARG CB C 39 32.575 32.575 31.701 0.874 18043 126 1 . 1 1 39 39 ARG H H 39 8.525 8.525 8.810 -0.285 18043 stop_ save_