data_25959 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25959 _Entry.PDB_ID 2NB2 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 25959 _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 ARG HA H 2 4.174 4.174 4.071 0.103 25959 2 1 1 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.192 0.331 25959 3 1 1 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.201 -0.133 25959 4 1 1 . 1 1 2 2 ARG H H 2 8.868 8.868 8.711 0.157 25959 5 1 1 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.261 0.022 25959 6 1 1 . 1 1 3 3 TYR CA C 3 61.888 61.888 60.586 1.302 25959 7 1 1 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.017 0.351 25959 8 1 1 . 1 1 3 3 TYR H H 3 8.358 8.358 8.530 -0.172 25959 9 1 1 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.846 -0.094 25959 10 1 1 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.005 -0.051 25959 11 1 1 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.758 0.533 25959 12 1 1 . 1 1 4 4 GLN H H 4 8.314 8.314 7.978 0.336 25959 13 1 1 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.406 0.006 25959 14 1 1 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.180 -0.146 25959 15 1 1 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.777 -1.749 25959 16 1 1 . 1 1 5 5 ASP H H 5 8.148 8.148 8.257 -0.109 25959 17 1 1 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.065 0.121 25959 18 1 1 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.549 -2.246 25959 19 1 1 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.236 10.784 25959 20 1 1 . 1 1 6 6 CYS H H 6 8.207 8.207 7.959 0.248 25959 21 1 1 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.775 -0.071 25959 22 1 1 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.617 -0.146 25959 23 1 1 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.763 0.355 25959 24 1 1 . 1 1 7 7 LEU H H 7 8.427 8.427 8.197 0.230 25959 25 1 1 . 1 1 8 8 SER HA H 8 4.207 4.207 3.965 0.242 25959 26 1 1 . 1 1 8 8 SER CA C 8 61.942 61.942 62.505 -0.563 25959 27 1 1 . 1 1 8 8 SER CB C 8 62.941 62.941 62.560 0.381 25959 28 1 1 . 1 1 8 8 SER H H 8 8.397 8.397 8.284 0.113 25959 29 1 1 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.977 0.168 25959 30 1 1 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.380 -0.372 25959 31 1 1 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.746 -1.817 25959 32 1 1 . 1 1 9 9 GLU H H 9 8.121 8.121 7.940 0.181 25959 33 1 1 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.072 0.181 25959 34 1 1 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.826 -3.155 25959 35 1 1 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.328 12.093 25959 36 1 1 . 1 1 10 10 CYS H H 10 8.396 8.396 8.483 -0.087 25959 37 1 1 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.367 -0.244 25959 38 1 1 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.555 0.546 25959 39 1 1 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.567 0.158 25959 40 1 1 . 1 1 11 11 ASN H H 11 8.710 8.710 8.526 0.184 25959 41 1 1 . 1 1 12 12 SER HA H 12 4.211 4.211 4.289 -0.078 25959 42 1 1 . 1 1 12 12 SER CA C 12 61.961 61.961 60.831 1.130 25959 43 1 1 . 1 1 12 12 SER CB C 12 62.948 62.948 63.116 -0.168 25959 44 1 1 . 1 1 12 12 SER H H 12 8.029 8.029 8.141 -0.112 25959 45 1 1 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.340 -0.158 25959 46 1 1 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.613 0.541 25959 47 1 1 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.968 -0.877 25959 48 1 1 . 1 1 13 13 ARG H H 13 7.955 7.955 7.716 0.239 25959 49 1 1 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.685 0.047 25959 50 1 1 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.711 12.041 25959 51 1 1 . 1 1 14 14 CYS H H 14 7.926 7.926 8.554 -0.628 25959 52 1 1 . 1 1 15 15 THR HA H 15 4.117 4.117 4.078 0.039 25959 53 1 1 . 1 1 15 15 THR CA C 15 64.667 64.667 64.742 -0.075 25959 54 1 1 . 1 1 15 15 THR CB C 15 69.599 69.599 68.760 0.839 25959 55 1 1 . 1 1 15 15 THR H H 15 7.641 7.641 8.174 -0.533 25959 56 1 1 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.383 0.045 25959 57 1 1 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.134 -1.265 25959 58 1 1 . 1 1 16 16 TYR H H 16 7.370 7.370 7.520 -0.150 25959 59 1 1 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.127 0.060 25959 60 1 1 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.416 1.105 25959 61 1 1 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.822 1.999 25959 62 1 1 . 1 1 17 17 ILE H H 17 7.385 7.385 7.540 -0.155 25959 63 1 1 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.185 0.274 25959 64 1 1 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.693 0.824 25959 65 1 1 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.151 -0.431 25959 66 1 1 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.593 0.231 25959 67 1 1 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.241 0.550 25959 68 1 1 . 1 1 19 19 ASP H H 19 7.527 7.527 8.116 -0.589 25959 69 1 1 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.063 0.143 25959 70 1 1 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.004 -0.091 25959 71 1 1 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.242 0.376 25959 72 1 1 . 1 1 20 20 TYR H H 20 8.858 8.858 8.867 -0.009 25959 73 1 1 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.218 -0.254 25959 74 1 1 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.291 0.075 25959 75 1 1 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.717 0.343 25959 76 1 1 . 1 1 21 21 ALA H H 21 8.669 8.669 8.432 0.237 25959 77 1 1 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.765 0.156 25959 78 1 1 . 1 1 22 22 GLY H H 22 8.106 8.106 7.906 0.200 25959 79 1 1 . 1 1 23 23 MET HA H 23 3.983 3.983 4.169 -0.186 25959 80 1 1 . 1 1 23 23 MET CA C 23 60.246 60.246 58.459 1.787 25959 81 1 1 . 1 1 23 23 MET CB C 23 31.953 31.953 32.681 -0.728 25959 82 1 1 . 1 1 23 23 MET H H 23 8.406 8.406 8.189 0.217 25959 83 1 1 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.045 -0.250 25959 84 1 1 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.495 -0.728 25959 85 1 1 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.330 -1.233 25959 86 1 1 . 1 1 24 24 ARG H H 24 8.411 8.411 8.237 0.174 25959 87 1 1 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.143 -0.010 25959 88 1 1 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.044 -0.153 25959 89 1 1 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.113 -0.053 25959 90 1 1 . 1 1 25 25 ALA H H 25 8.004 8.004 8.254 -0.250 25959 91 1 1 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.157 -0.019 25959 92 1 1 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.374 -2.214 25959 93 1 1 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.480 8.727 25959 94 1 1 . 1 1 26 26 CYS H H 26 7.761 7.761 7.931 -0.170 25959 95 1 1 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.948 -0.223 25959 96 1 1 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.615 0.573 25959 97 1 1 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.797 0.435 25959 98 1 1 . 1 1 27 27 ILE H H 27 8.363 8.363 8.378 -0.015 25959 99 1 1 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.940 -0.105 25959 100 1 1 . 1 1 28 28 GLY H H 28 8.037 8.037 8.107 -0.070 25959 101 1 1 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.691 -0.311 25959 102 1 1 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.729 0.104 25959 103 1 1 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.892 -0.204 25959 104 1 1 . 1 1 29 29 LEU H H 29 7.457 7.457 7.841 -0.384 25959 105 1 1 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.053 0.444 25959 106 1 1 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.603 12.865 25959 107 1 1 . 1 1 30 30 CYS H H 30 7.869 7.869 8.294 -0.425 25959 108 1 1 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.097 0.162 25959 109 1 1 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.860 0.428 25959 110 1 1 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.070 -0.501 25959 111 1 1 . 1 1 31 31 ALA H H 31 8.506 8.506 7.838 0.668 25959 112 1 1 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.142 0.232 25959 113 1 1 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.009 0.009 25959 114 1 1 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.161 -0.516 25959 115 1 1 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.095 0.146 25959 116 1 1 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.992 -0.141 25959 117 1 1 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.148 0.519 25959 118 1 1 . 1 1 33 33 ALA H H 33 7.427 7.427 8.056 -0.629 25959 119 1 1 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.279 0.518 25959 120 1 1 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.188 13.331 25959 121 1 1 . 1 1 34 34 CYS H H 34 8.137 8.137 8.026 0.111 25959 122 1 1 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.236 0.063 25959 123 1 1 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.607 0.053 25959 124 1 1 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.123 0.548 25959 125 1 1 . 1 1 35 35 LEU H H 35 7.968 7.968 8.973 -1.005 25959 126 1 1 . 1 1 36 36 THR HA H 36 4.372 4.372 4.207 0.165 25959 127 1 1 . 1 1 36 36 THR CA C 36 62.615 62.615 65.885 -3.270 25959 128 1 1 . 1 1 36 36 THR CB C 36 69.567 69.567 68.872 0.695 25959 129 1 1 . 1 1 36 36 THR H H 36 7.771 7.771 8.214 -0.443 25959 130 1 1 . 1 1 37 37 SER HA H 37 4.535 4.535 4.434 0.101 25959 131 1 1 . 1 1 37 37 SER CB C 37 64.134 64.134 63.785 0.349 25959 132 1 1 . 1 1 37 37 SER H H 37 7.987 7.987 7.777 0.210 25959 133 1 2 . 1 1 2 2 ARG HA H 2 4.174 4.174 3.992 0.182 25959 134 1 2 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.770 -0.248 25959 135 1 2 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.308 -0.240 25959 136 1 2 . 1 1 2 2 ARG H H 2 8.868 8.868 8.707 0.161 25959 137 1 2 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.193 0.090 25959 138 1 2 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.225 0.663 25959 139 1 2 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.418 -0.051 25959 140 1 2 . 1 1 3 3 TYR H H 3 8.358 8.358 8.414 -0.056 25959 141 1 2 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.816 -0.064 25959 142 1 2 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.057 -0.103 25959 143 1 2 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.822 0.469 25959 144 1 2 . 1 1 4 4 GLN H H 4 8.314 8.314 8.109 0.205 25959 145 1 2 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.394 0.018 25959 146 1 2 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.521 -0.487 25959 147 1 2 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.032 -2.004 25959 148 1 2 . 1 1 5 5 ASP H H 5 8.148 8.148 8.246 -0.098 25959 149 1 2 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.161 0.025 25959 150 1 2 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.762 -2.459 25959 151 1 2 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.308 10.712 25959 152 1 2 . 1 1 6 6 CYS H H 6 8.207 8.207 7.917 0.290 25959 153 1 2 . 1 1 7 7 LEU HA H 7 3.703 3.703 4.022 -0.319 25959 154 1 2 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.516 0.955 25959 155 1 2 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.010 2.108 25959 156 1 2 . 1 1 7 7 LEU H H 7 8.427 8.427 8.179 0.248 25959 157 1 2 . 1 1 8 8 SER HA H 8 4.207 4.207 4.011 0.196 25959 158 1 2 . 1 1 8 8 SER CA C 8 61.942 61.942 62.340 -0.397 25959 159 1 2 . 1 1 8 8 SER CB C 8 62.941 62.941 62.705 0.236 25959 160 1 2 . 1 1 8 8 SER H H 8 8.397 8.397 8.239 0.158 25959 161 1 2 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.946 0.199 25959 162 1 2 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.334 -0.326 25959 163 1 2 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.582 -1.653 25959 164 1 2 . 1 1 9 9 GLU H H 9 8.121 8.121 7.970 0.151 25959 165 1 2 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.090 0.163 25959 166 1 2 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.827 -3.156 25959 167 1 2 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.465 11.956 25959 168 1 2 . 1 1 10 10 CYS H H 10 8.396 8.396 8.184 0.212 25959 169 1 2 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.307 -0.184 25959 170 1 2 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.775 0.326 25959 171 1 2 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.537 0.188 25959 172 1 2 . 1 1 11 11 ASN H H 11 8.710 8.710 8.611 0.099 25959 173 1 2 . 1 1 12 12 SER HA H 12 4.211 4.211 4.266 -0.055 25959 174 1 2 . 1 1 12 12 SER CA C 12 61.961 61.961 60.812 1.149 25959 175 1 2 . 1 1 12 12 SER CB C 12 62.948 62.948 63.013 -0.065 25959 176 1 2 . 1 1 12 12 SER H H 12 8.029 8.029 8.031 -0.002 25959 177 1 2 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.330 -0.148 25959 178 1 2 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.399 0.755 25959 179 1 2 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.975 -0.884 25959 180 1 2 . 1 1 13 13 ARG H H 13 7.955 7.955 7.799 0.156 25959 181 1 2 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.718 0.014 25959 182 1 2 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.930 11.822 25959 183 1 2 . 1 1 14 14 CYS H H 14 7.926 7.926 8.552 -0.626 25959 184 1 2 . 1 1 15 15 THR HA H 15 4.117 4.117 4.137 -0.020 25959 185 1 2 . 1 1 15 15 THR CA C 15 64.667 64.667 64.099 0.568 25959 186 1 2 . 1 1 15 15 THR CB C 15 69.599 69.599 68.358 1.241 25959 187 1 2 . 1 1 15 15 THR H H 15 7.641 7.641 8.240 -0.599 25959 188 1 2 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.385 0.043 25959 189 1 2 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.130 -1.262 25959 190 1 2 . 1 1 16 16 TYR H H 16 7.370 7.370 7.472 -0.102 25959 191 1 2 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.014 0.173 25959 192 1 2 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.198 1.323 25959 193 1 2 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.682 2.139 25959 194 1 2 . 1 1 17 17 ILE H H 17 7.385 7.385 7.547 -0.162 25959 195 1 2 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.196 0.263 25959 196 1 2 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.442 1.075 25959 197 1 2 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.970 -0.250 25959 198 1 2 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.511 0.313 25959 199 1 2 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.413 1.378 25959 200 1 2 . 1 1 19 19 ASP H H 19 7.527 7.527 8.150 -0.623 25959 201 1 2 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.016 0.190 25959 202 1 2 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.167 -0.254 25959 203 1 2 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.474 1.144 25959 204 1 2 . 1 1 20 20 TYR H H 20 8.858 8.858 8.500 0.358 25959 205 1 2 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.127 -0.163 25959 206 1 2 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.653 -0.287 25959 207 1 2 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.478 0.582 25959 208 1 2 . 1 1 21 21 ALA H H 21 8.669 8.669 8.562 0.107 25959 209 1 2 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.900 0.021 25959 210 1 2 . 1 1 22 22 GLY H H 22 8.106 8.106 8.383 -0.277 25959 211 1 2 . 1 1 23 23 MET HA H 23 3.983 3.983 4.062 -0.079 25959 212 1 2 . 1 1 23 23 MET CA C 23 60.246 60.246 58.706 1.540 25959 213 1 2 . 1 1 23 23 MET CB C 23 31.953 31.953 32.598 -0.645 25959 214 1 2 . 1 1 23 23 MET H H 23 8.406 8.406 8.423 -0.017 25959 215 1 2 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.945 -0.150 25959 216 1 2 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.760 -0.993 25959 217 1 2 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.277 -1.180 25959 218 1 2 . 1 1 24 24 ARG H H 24 8.411 8.411 8.520 -0.109 25959 219 1 2 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.123 0.010 25959 220 1 2 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.969 -0.078 25959 221 1 2 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.077 -0.017 25959 222 1 2 . 1 1 25 25 ALA H H 25 8.004 8.004 8.302 -0.298 25959 223 1 2 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.189 -0.051 25959 224 1 2 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.228 -2.068 25959 225 1 2 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.674 8.533 25959 226 1 2 . 1 1 26 26 CYS H H 26 7.761 7.761 7.975 -0.214 25959 227 1 2 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.802 -0.077 25959 228 1 2 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.874 0.314 25959 229 1 2 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.663 0.569 25959 230 1 2 . 1 1 27 27 ILE H H 27 8.363 8.363 8.667 -0.304 25959 231 1 2 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.767 0.068 25959 232 1 2 . 1 1 28 28 GLY H H 28 8.037 8.037 8.228 -0.191 25959 233 1 2 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.658 -0.278 25959 234 1 2 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.266 0.567 25959 235 1 2 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.520 0.168 25959 236 1 2 . 1 1 29 29 LEU H H 29 7.457 7.457 7.719 -0.262 25959 237 1 2 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.048 0.449 25959 238 1 2 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.462 13.006 25959 239 1 2 . 1 1 30 30 CYS H H 30 7.869 7.869 8.187 -0.318 25959 240 1 2 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.050 0.209 25959 241 1 2 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.896 0.392 25959 242 1 2 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.111 -0.542 25959 243 1 2 . 1 1 31 31 ALA H H 31 8.506 8.506 8.098 0.408 25959 244 1 2 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.145 0.229 25959 245 1 2 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.030 -0.012 25959 246 1 2 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.191 -0.545 25959 247 1 2 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.136 0.105 25959 248 1 2 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.961 -0.110 25959 249 1 2 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.188 0.479 25959 250 1 2 . 1 1 33 33 ALA H H 33 7.427 7.427 8.078 -0.651 25959 251 1 2 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.291 0.506 25959 252 1 2 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.169 13.350 25959 253 1 2 . 1 1 34 34 CYS H H 34 8.137 8.137 8.159 -0.022 25959 254 1 2 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.203 0.096 25959 255 1 2 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.908 -0.248 25959 256 1 2 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.507 0.164 25959 257 1 2 . 1 1 35 35 LEU H H 35 7.968 7.968 8.691 -0.723 25959 258 1 2 . 1 1 36 36 THR HA H 36 4.372 4.372 4.168 0.204 25959 259 1 2 . 1 1 36 36 THR CA C 36 62.615 62.615 65.177 -2.562 25959 260 1 2 . 1 1 36 36 THR CB C 36 69.567 69.567 69.133 0.434 25959 261 1 2 . 1 1 36 36 THR H H 36 7.771 7.771 8.001 -0.230 25959 262 1 2 . 1 1 37 37 SER HA H 37 4.535 4.535 4.502 0.033 25959 263 1 2 . 1 1 37 37 SER CB C 37 64.134 64.134 64.043 0.091 25959 264 1 2 . 1 1 37 37 SER H H 37 7.987 7.987 7.793 0.194 25959 265 1 3 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.200 -0.026 25959 266 1 3 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.615 0.908 25959 267 1 3 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.112 -0.044 25959 268 1 3 . 1 1 2 2 ARG H H 2 8.868 8.868 8.679 0.189 25959 269 1 3 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.188 0.095 25959 270 1 3 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.630 0.258 25959 271 1 3 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.315 0.052 25959 272 1 3 . 1 1 3 3 TYR H H 3 8.358 8.358 8.480 -0.122 25959 273 1 3 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.902 -0.150 25959 274 1 3 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.853 -0.899 25959 275 1 3 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.104 0.187 25959 276 1 3 . 1 1 4 4 GLN H H 4 8.314 8.314 8.521 -0.206 25959 277 1 3 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.370 0.042 25959 278 1 3 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.469 -0.435 25959 279 1 3 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.305 -2.277 25959 280 1 3 . 1 1 5 5 ASP H H 5 8.148 8.148 8.182 -0.034 25959 281 1 3 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.195 -0.009 25959 282 1 3 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.795 -2.492 25959 283 1 3 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.394 10.626 25959 284 1 3 . 1 1 6 6 CYS H H 6 8.207 8.207 7.903 0.304 25959 285 1 3 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.858 -0.155 25959 286 1 3 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.898 0.573 25959 287 1 3 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.306 0.812 25959 288 1 3 . 1 1 7 7 LEU H H 7 8.427 8.427 8.159 0.268 25959 289 1 3 . 1 1 8 8 SER HA H 8 4.207 4.207 3.992 0.215 25959 290 1 3 . 1 1 8 8 SER CA C 8 61.942 61.942 62.248 -0.306 25959 291 1 3 . 1 1 8 8 SER CB C 8 62.941 62.941 62.791 0.150 25959 292 1 3 . 1 1 8 8 SER H H 8 8.397 8.397 8.378 0.019 25959 293 1 3 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.969 0.176 25959 294 1 3 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.620 -0.612 25959 295 1 3 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.483 -1.554 25959 296 1 3 . 1 1 9 9 GLU H H 9 8.121 8.121 8.014 0.107 25959 297 1 3 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.104 0.149 25959 298 1 3 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.109 -3.438 25959 299 1 3 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.378 12.043 25959 300 1 3 . 1 1 10 10 CYS H H 10 8.396 8.396 8.621 -0.225 25959 301 1 3 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.357 -0.234 25959 302 1 3 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.605 0.497 25959 303 1 3 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.170 0.554 25959 304 1 3 . 1 1 11 11 ASN H H 11 8.710 8.710 8.611 0.099 25959 305 1 3 . 1 1 12 12 SER HA H 12 4.211 4.211 4.226 -0.015 25959 306 1 3 . 1 1 12 12 SER CA C 12 61.961 61.961 60.806 1.155 25959 307 1 3 . 1 1 12 12 SER CB C 12 62.948 62.948 63.147 -0.199 25959 308 1 3 . 1 1 12 12 SER H H 12 8.029 8.029 8.057 -0.028 25959 309 1 3 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.350 -0.168 25959 310 1 3 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.697 0.457 25959 311 1 3 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.916 -0.825 25959 312 1 3 . 1 1 13 13 ARG H H 13 7.955 7.955 7.793 0.162 25959 313 1 3 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.737 -0.005 25959 314 1 3 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.280 11.472 25959 315 1 3 . 1 1 14 14 CYS H H 14 7.926 7.926 8.382 -0.456 25959 316 1 3 . 1 1 15 15 THR HA H 15 4.117 4.117 4.099 0.018 25959 317 1 3 . 1 1 15 15 THR CA C 15 64.667 64.667 64.693 -0.026 25959 318 1 3 . 1 1 15 15 THR CB C 15 69.599 69.599 68.564 1.034 25959 319 1 3 . 1 1 15 15 THR H H 15 7.641 7.641 8.126 -0.485 25959 320 1 3 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.414 0.014 25959 321 1 3 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.094 -1.225 25959 322 1 3 . 1 1 16 16 TYR H H 16 7.370 7.370 7.585 -0.215 25959 323 1 3 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.033 0.154 25959 324 1 3 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.495 1.026 25959 325 1 3 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.724 2.097 25959 326 1 3 . 1 1 17 17 ILE H H 17 7.385 7.385 7.572 -0.187 25959 327 1 3 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.232 0.227 25959 328 1 3 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.312 1.205 25959 329 1 3 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.084 -0.364 25959 330 1 3 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.382 0.442 25959 331 1 3 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.025 0.766 25959 332 1 3 . 1 1 19 19 ASP H H 19 7.527 7.527 8.248 -0.721 25959 333 1 3 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.995 0.211 25959 334 1 3 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.623 0.290 25959 335 1 3 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.031 0.587 25959 336 1 3 . 1 1 20 20 TYR H H 20 8.858 8.858 8.416 0.442 25959 337 1 3 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.089 -0.125 25959 338 1 3 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.509 -0.143 25959 339 1 3 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.416 0.644 25959 340 1 3 . 1 1 21 21 ALA H H 21 8.669 8.669 8.611 0.058 25959 341 1 3 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.012 -0.091 25959 342 1 3 . 1 1 22 22 GLY H H 22 8.106 8.106 8.506 -0.400 25959 343 1 3 . 1 1 23 23 MET HA H 23 3.983 3.983 4.123 -0.140 25959 344 1 3 . 1 1 23 23 MET CA C 23 60.246 60.246 58.342 1.904 25959 345 1 3 . 1 1 23 23 MET CB C 23 31.953 31.953 32.574 -0.621 25959 346 1 3 . 1 1 23 23 MET H H 23 8.406 8.406 7.988 0.418 25959 347 1 3 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.037 -0.242 25959 348 1 3 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.576 -0.809 25959 349 1 3 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.148 -1.051 25959 350 1 3 . 1 1 24 24 ARG H H 24 8.411 8.411 8.247 0.164 25959 351 1 3 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.168 -0.035 25959 352 1 3 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.013 -0.122 25959 353 1 3 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.089 -0.029 25959 354 1 3 . 1 1 25 25 ALA H H 25 8.004 8.004 8.483 -0.479 25959 355 1 3 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.169 -0.031 25959 356 1 3 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.456 -2.296 25959 357 1 3 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.613 8.594 25959 358 1 3 . 1 1 26 26 CYS H H 26 7.761 7.761 8.081 -0.320 25959 359 1 3 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.771 -0.046 25959 360 1 3 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.847 0.341 25959 361 1 3 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.614 0.618 25959 362 1 3 . 1 1 27 27 ILE H H 27 8.363 8.363 8.205 0.158 25959 363 1 3 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.778 0.057 25959 364 1 3 . 1 1 28 28 GLY H H 28 8.037 8.037 8.080 -0.043 25959 365 1 3 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.619 -0.239 25959 366 1 3 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.465 0.368 25959 367 1 3 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.587 0.100 25959 368 1 3 . 1 1 29 29 LEU H H 29 7.457 7.457 7.818 -0.361 25959 369 1 3 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.032 0.465 25959 370 1 3 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.473 12.995 25959 371 1 3 . 1 1 30 30 CYS H H 30 7.869 7.869 8.181 -0.312 25959 372 1 3 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.017 0.242 25959 373 1 3 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.855 0.433 25959 374 1 3 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.094 -0.525 25959 375 1 3 . 1 1 31 31 ALA H H 31 8.506 8.506 8.074 0.432 25959 376 1 3 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.124 0.250 25959 377 1 3 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.161 -0.143 25959 378 1 3 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.162 -0.517 25959 379 1 3 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.231 0.011 25959 380 1 3 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.112 -0.261 25959 381 1 3 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.127 0.540 25959 382 1 3 . 1 1 33 33 ALA H H 33 7.427 7.427 8.127 -0.700 25959 383 1 3 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.282 0.515 25959 384 1 3 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.604 13.915 25959 385 1 3 . 1 1 34 34 CYS H H 34 8.137 8.137 8.223 -0.086 25959 386 1 3 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.209 0.090 25959 387 1 3 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.661 -0.001 25959 388 1 3 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.538 0.133 25959 389 1 3 . 1 1 35 35 LEU H H 35 7.968 7.968 8.856 -0.888 25959 390 1 3 . 1 1 36 36 THR HA H 36 4.372 4.372 4.084 0.288 25959 391 1 3 . 1 1 36 36 THR CA C 36 62.615 62.615 64.889 -2.274 25959 392 1 3 . 1 1 36 36 THR CB C 36 69.567 69.567 68.977 0.590 25959 393 1 3 . 1 1 36 36 THR H H 36 7.771 7.771 8.150 -0.379 25959 394 1 3 . 1 1 37 37 SER HA H 37 4.535 4.535 4.434 0.101 25959 395 1 3 . 1 1 37 37 SER CB C 37 64.134 64.134 64.379 -0.245 25959 396 1 3 . 1 1 37 37 SER H H 37 7.987 7.987 8.070 -0.083 25959 397 1 4 . 1 1 2 2 ARG HA H 2 4.174 4.174 3.992 0.182 25959 398 1 4 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.498 0.025 25959 399 1 4 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.148 -0.080 25959 400 1 4 . 1 1 2 2 ARG H H 2 8.868 8.868 8.674 0.194 25959 401 1 4 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.051 0.232 25959 402 1 4 . 1 1 3 3 TYR CA C 3 61.888 61.888 62.074 -0.186 25959 403 1 4 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.176 0.191 25959 404 1 4 . 1 1 3 3 TYR H H 3 8.358 8.358 8.636 -0.278 25959 405 1 4 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.000 -0.248 25959 406 1 4 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.396 -0.442 25959 407 1 4 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.065 0.226 25959 408 1 4 . 1 1 4 4 GLN H H 4 8.314 8.314 8.704 -0.390 25959 409 1 4 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.360 0.052 25959 410 1 4 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.278 -0.243 25959 411 1 4 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.191 -2.163 25959 412 1 4 . 1 1 5 5 ASP H H 5 8.148 8.148 8.093 0.055 25959 413 1 4 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.135 0.051 25959 414 1 4 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.924 -2.621 25959 415 1 4 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.272 10.748 25959 416 1 4 . 1 1 6 6 CYS H H 6 8.207 8.207 8.318 -0.111 25959 417 1 4 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.936 -0.233 25959 418 1 4 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.690 0.781 25959 419 1 4 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.615 1.503 25959 420 1 4 . 1 1 7 7 LEU H H 7 8.427 8.427 8.139 0.288 25959 421 1 4 . 1 1 8 8 SER HA H 8 4.207 4.207 3.971 0.236 25959 422 1 4 . 1 1 8 8 SER CA C 8 61.942 61.942 62.239 -0.297 25959 423 1 4 . 1 1 8 8 SER CB C 8 62.941 62.941 63.107 -0.166 25959 424 1 4 . 1 1 8 8 SER H H 8 8.397 8.397 8.478 -0.081 25959 425 1 4 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.964 0.181 25959 426 1 4 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.549 -0.541 25959 427 1 4 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.402 -1.473 25959 428 1 4 . 1 1 9 9 GLU H H 9 8.121 8.121 8.073 0.048 25959 429 1 4 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.077 0.176 25959 430 1 4 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.402 -2.731 25959 431 1 4 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.261 12.160 25959 432 1 4 . 1 1 10 10 CYS H H 10 8.396 8.396 8.147 0.249 25959 433 1 4 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.363 -0.240 25959 434 1 4 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.615 0.486 25959 435 1 4 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.416 0.308 25959 436 1 4 . 1 1 11 11 ASN H H 11 8.710 8.710 8.493 0.217 25959 437 1 4 . 1 1 12 12 SER HA H 12 4.211 4.211 4.281 -0.070 25959 438 1 4 . 1 1 12 12 SER CA C 12 61.961 61.961 60.788 1.173 25959 439 1 4 . 1 1 12 12 SER CB C 12 62.948 62.948 62.957 -0.009 25959 440 1 4 . 1 1 12 12 SER H H 12 8.029 8.029 8.198 -0.169 25959 441 1 4 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.374 -0.192 25959 442 1 4 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.420 0.734 25959 443 1 4 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.827 -0.736 25959 444 1 4 . 1 1 13 13 ARG H H 13 7.955 7.955 7.856 0.099 25959 445 1 4 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.676 0.056 25959 446 1 4 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.196 11.556 25959 447 1 4 . 1 1 14 14 CYS H H 14 7.926 7.926 8.451 -0.525 25959 448 1 4 . 1 1 15 15 THR HA H 15 4.117 4.117 4.074 0.043 25959 449 1 4 . 1 1 15 15 THR CA C 15 64.667 64.667 64.476 0.191 25959 450 1 4 . 1 1 15 15 THR CB C 15 69.599 69.599 68.517 1.082 25959 451 1 4 . 1 1 15 15 THR H H 15 7.641 7.641 8.126 -0.485 25959 452 1 4 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.400 0.028 25959 453 1 4 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.999 -1.130 25959 454 1 4 . 1 1 16 16 TYR H H 16 7.370 7.370 7.549 -0.179 25959 455 1 4 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.186 0.001 25959 456 1 4 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.220 0.301 25959 457 1 4 . 1 1 17 17 ILE CB C 17 38.821 38.821 38.250 0.571 25959 458 1 4 . 1 1 17 17 ILE H H 17 7.385 7.385 7.494 -0.109 25959 459 1 4 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.372 0.087 25959 460 1 4 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.433 1.084 25959 461 1 4 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.880 -0.160 25959 462 1 4 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.671 0.153 25959 463 1 4 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.326 1.465 25959 464 1 4 . 1 1 19 19 ASP H H 19 7.527 7.527 8.306 -0.779 25959 465 1 4 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.953 0.253 25959 466 1 4 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.722 -0.809 25959 467 1 4 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.493 0.125 25959 468 1 4 . 1 1 20 20 TYR H H 20 8.858 8.858 8.932 -0.074 25959 469 1 4 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.020 -0.056 25959 470 1 4 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.724 -0.358 25959 471 1 4 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.408 0.652 25959 472 1 4 . 1 1 21 21 ALA H H 21 8.669 8.669 8.632 0.037 25959 473 1 4 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.921 0.000 25959 474 1 4 . 1 1 22 22 GLY H H 22 8.106 8.106 8.320 -0.214 25959 475 1 4 . 1 1 23 23 MET HA H 23 3.983 3.983 3.995 -0.012 25959 476 1 4 . 1 1 23 23 MET CA C 23 60.246 60.246 58.979 1.267 25959 477 1 4 . 1 1 23 23 MET CB C 23 31.953 31.953 32.600 -0.647 25959 478 1 4 . 1 1 23 23 MET H H 23 8.406 8.406 8.353 0.053 25959 479 1 4 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.812 -0.017 25959 480 1 4 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.559 -0.792 25959 481 1 4 . 1 1 24 24 ARG CB C 24 29.097 29.097 29.826 -0.729 25959 482 1 4 . 1 1 24 24 ARG H H 24 8.411 8.411 8.457 -0.046 25959 483 1 4 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.081 0.052 25959 484 1 4 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.986 -0.095 25959 485 1 4 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.084 -0.024 25959 486 1 4 . 1 1 25 25 ALA H H 25 8.004 8.004 8.140 -0.136 25959 487 1 4 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.122 0.016 25959 488 1 4 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.499 -2.339 25959 489 1 4 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.547 8.660 25959 490 1 4 . 1 1 26 26 CYS H H 26 7.761 7.761 8.254 -0.493 25959 491 1 4 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.768 -0.043 25959 492 1 4 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.863 0.325 25959 493 1 4 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.532 0.700 25959 494 1 4 . 1 1 27 27 ILE H H 27 8.363 8.363 8.653 -0.290 25959 495 1 4 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.843 -0.008 25959 496 1 4 . 1 1 28 28 GLY H H 28 8.037 8.037 8.066 -0.029 25959 497 1 4 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.621 -0.241 25959 498 1 4 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.614 0.219 25959 499 1 4 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.247 0.441 25959 500 1 4 . 1 1 29 29 LEU H H 29 7.457 7.457 7.672 -0.215 25959 501 1 4 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.982 0.515 25959 502 1 4 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.623 12.845 25959 503 1 4 . 1 1 30 30 CYS H H 30 7.869 7.869 8.296 -0.427 25959 504 1 4 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.877 0.382 25959 505 1 4 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.803 0.485 25959 506 1 4 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.114 -0.545 25959 507 1 4 . 1 1 31 31 ALA H H 31 8.506 8.506 7.913 0.593 25959 508 1 4 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.135 0.239 25959 509 1 4 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.044 -0.026 25959 510 1 4 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.084 -0.439 25959 511 1 4 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.037 0.204 25959 512 1 4 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.282 -0.431 25959 513 1 4 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.164 0.503 25959 514 1 4 . 1 1 33 33 ALA H H 33 7.427 7.427 7.960 -0.533 25959 515 1 4 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.307 0.490 25959 516 1 4 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.233 14.286 25959 517 1 4 . 1 1 34 34 CYS H H 34 8.137 8.137 8.211 -0.074 25959 518 1 4 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.122 0.177 25959 519 1 4 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.859 -0.199 25959 520 1 4 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.256 0.415 25959 521 1 4 . 1 1 35 35 LEU H H 35 7.968 7.968 8.260 -0.292 25959 522 1 4 . 1 1 36 36 THR HA H 36 4.372 4.372 4.150 0.222 25959 523 1 4 . 1 1 36 36 THR CA C 36 62.615 62.615 65.200 -2.585 25959 524 1 4 . 1 1 36 36 THR CB C 36 69.567 69.567 69.206 0.361 25959 525 1 4 . 1 1 36 36 THR H H 36 7.771 7.771 7.858 -0.087 25959 526 1 4 . 1 1 37 37 SER HA H 37 4.535 4.535 4.468 0.067 25959 527 1 4 . 1 1 37 37 SER CB C 37 64.134 64.134 64.391 -0.257 25959 528 1 4 . 1 1 37 37 SER H H 37 7.987 7.987 8.033 -0.046 25959 529 1 5 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.036 0.138 25959 530 1 5 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.392 0.131 25959 531 1 5 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.197 -0.129 25959 532 1 5 . 1 1 2 2 ARG H H 2 8.868 8.868 8.792 0.076 25959 533 1 5 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.240 0.043 25959 534 1 5 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.859 0.029 25959 535 1 5 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.455 -0.088 25959 536 1 5 . 1 1 3 3 TYR H H 3 8.358 8.358 8.454 -0.096 25959 537 1 5 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.015 -0.263 25959 538 1 5 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.261 -0.307 25959 539 1 5 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.059 0.232 25959 540 1 5 . 1 1 4 4 GLN H H 4 8.314 8.314 7.996 0.318 25959 541 1 5 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.514 -0.102 25959 542 1 5 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.324 -0.290 25959 543 1 5 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.866 -1.838 25959 544 1 5 . 1 1 5 5 ASP H H 5 8.148 8.148 8.329 -0.181 25959 545 1 5 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.264 -0.078 25959 546 1 5 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.629 -2.326 25959 547 1 5 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.301 10.719 25959 548 1 5 . 1 1 6 6 CYS H H 6 8.207 8.207 7.895 0.312 25959 549 1 5 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.937 -0.234 25959 550 1 5 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.004 0.467 25959 551 1 5 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.490 0.628 25959 552 1 5 . 1 1 7 7 LEU H H 7 8.427 8.427 8.217 0.210 25959 553 1 5 . 1 1 8 8 SER HA H 8 4.207 4.207 4.072 0.135 25959 554 1 5 . 1 1 8 8 SER CA C 8 61.942 61.942 61.620 0.322 25959 555 1 5 . 1 1 8 8 SER CB C 8 62.941 62.941 62.843 0.098 25959 556 1 5 . 1 1 8 8 SER H H 8 8.397 8.397 8.450 -0.053 25959 557 1 5 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.919 0.226 25959 558 1 5 . 1 1 9 9 GLU CA C 9 59.008 59.008 58.869 0.139 25959 559 1 5 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.217 -1.288 25959 560 1 5 . 1 1 9 9 GLU H H 9 8.121 8.121 8.074 0.047 25959 561 1 5 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.099 0.154 25959 562 1 5 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.084 -3.413 25959 563 1 5 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.041 12.380 25959 564 1 5 . 1 1 10 10 CYS H H 10 8.396 8.396 8.587 -0.191 25959 565 1 5 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.374 -0.251 25959 566 1 5 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.672 0.429 25959 567 1 5 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.205 0.520 25959 568 1 5 . 1 1 11 11 ASN H H 11 8.710 8.710 8.240 0.470 25959 569 1 5 . 1 1 12 12 SER HA H 12 4.211 4.211 4.269 -0.058 25959 570 1 5 . 1 1 12 12 SER CA C 12 61.961 61.961 60.576 1.385 25959 571 1 5 . 1 1 12 12 SER CB C 12 62.948 62.948 63.149 -0.201 25959 572 1 5 . 1 1 12 12 SER H H 12 8.029 8.029 8.209 -0.180 25959 573 1 5 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.336 -0.154 25959 574 1 5 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.204 0.950 25959 575 1 5 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.536 -0.445 25959 576 1 5 . 1 1 13 13 ARG H H 13 7.955 7.955 7.716 0.239 25959 577 1 5 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.745 -0.013 25959 578 1 5 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.364 11.387 25959 579 1 5 . 1 1 14 14 CYS H H 14 7.926 7.926 8.195 -0.269 25959 580 1 5 . 1 1 15 15 THR HA H 15 4.117 4.117 4.114 0.003 25959 581 1 5 . 1 1 15 15 THR CA C 15 64.667 64.667 64.727 -0.060 25959 582 1 5 . 1 1 15 15 THR CB C 15 69.599 69.599 68.814 0.785 25959 583 1 5 . 1 1 15 15 THR H H 15 7.641 7.641 8.037 -0.396 25959 584 1 5 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.367 0.061 25959 585 1 5 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.984 -1.115 25959 586 1 5 . 1 1 16 16 TYR H H 16 7.370 7.370 7.672 -0.302 25959 587 1 5 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.014 0.173 25959 588 1 5 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.732 -0.211 25959 589 1 5 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.676 1.145 25959 590 1 5 . 1 1 17 17 ILE H H 17 7.385 7.385 7.527 -0.142 25959 591 1 5 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.237 0.222 25959 592 1 5 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.444 1.073 25959 593 1 5 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.959 -0.239 25959 594 1 5 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.383 0.441 25959 595 1 5 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.276 0.515 25959 596 1 5 . 1 1 19 19 ASP H H 19 7.527 7.527 8.002 -0.475 25959 597 1 5 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.201 0.005 25959 598 1 5 . 1 1 20 20 TYR CA C 20 61.913 61.913 60.506 1.407 25959 599 1 5 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.669 0.949 25959 600 1 5 . 1 1 20 20 TYR H H 20 8.858 8.858 8.438 0.420 25959 601 1 5 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.142 -0.178 25959 602 1 5 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.395 -0.029 25959 603 1 5 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.749 0.311 25959 604 1 5 . 1 1 21 21 ALA H H 21 8.669 8.669 7.965 0.704 25959 605 1 5 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.061 -0.140 25959 606 1 5 . 1 1 22 22 GLY H H 22 8.106 8.106 8.440 -0.334 25959 607 1 5 . 1 1 23 23 MET HA H 23 3.983 3.983 4.080 -0.097 25959 608 1 5 . 1 1 23 23 MET CA C 23 60.246 60.246 58.666 1.580 25959 609 1 5 . 1 1 23 23 MET CB C 23 31.953 31.953 32.628 -0.675 25959 610 1 5 . 1 1 23 23 MET H H 23 8.406 8.406 8.158 0.248 25959 611 1 5 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.948 -0.153 25959 612 1 5 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.646 -0.879 25959 613 1 5 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.270 -1.173 25959 614 1 5 . 1 1 24 24 ARG H H 24 8.411 8.411 8.157 0.254 25959 615 1 5 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.071 0.062 25959 616 1 5 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.119 -0.228 25959 617 1 5 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.052 0.008 25959 618 1 5 . 1 1 25 25 ALA H H 25 8.004 8.004 8.196 -0.192 25959 619 1 5 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.127 0.011 25959 620 1 5 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.536 -2.376 25959 621 1 5 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.539 8.668 25959 622 1 5 . 1 1 26 26 CYS H H 26 7.761 7.761 7.997 -0.236 25959 623 1 5 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.668 0.057 25959 624 1 5 . 1 1 27 27 ILE CA C 27 65.188 65.188 65.062 0.126 25959 625 1 5 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.382 0.850 25959 626 1 5 . 1 1 27 27 ILE H H 27 8.363 8.363 8.497 -0.134 25959 627 1 5 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.813 0.022 25959 628 1 5 . 1 1 28 28 GLY H H 28 8.037 8.037 7.919 0.118 25959 629 1 5 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.484 -0.104 25959 630 1 5 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.836 -0.003 25959 631 1 5 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.354 0.334 25959 632 1 5 . 1 1 29 29 LEU H H 29 7.457 7.457 7.896 -0.439 25959 633 1 5 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.980 0.517 25959 634 1 5 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.405 13.063 25959 635 1 5 . 1 1 30 30 CYS H H 30 7.869 7.869 8.175 -0.306 25959 636 1 5 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.954 0.305 25959 637 1 5 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.804 0.484 25959 638 1 5 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.119 -0.550 25959 639 1 5 . 1 1 31 31 ALA H H 31 8.506 8.506 8.000 0.506 25959 640 1 5 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.057 0.317 25959 641 1 5 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.097 -0.079 25959 642 1 5 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.125 -0.480 25959 643 1 5 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.065 0.176 25959 644 1 5 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.385 -0.533 25959 645 1 5 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.027 0.640 25959 646 1 5 . 1 1 33 33 ALA H H 33 7.427 7.427 8.029 -0.602 25959 647 1 5 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.156 0.641 25959 648 1 5 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.817 13.702 25959 649 1 5 . 1 1 34 34 CYS H H 34 8.137 8.137 8.030 0.107 25959 650 1 5 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.108 0.191 25959 651 1 5 . 1 1 35 35 LEU CA C 35 57.660 57.660 58.563 -0.903 25959 652 1 5 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.351 0.320 25959 653 1 5 . 1 1 35 35 LEU H H 35 7.968 7.968 8.457 -0.489 25959 654 1 5 . 1 1 36 36 THR HA H 36 4.372 4.372 4.212 0.160 25959 655 1 5 . 1 1 36 36 THR CA C 36 62.615 62.615 64.681 -2.066 25959 656 1 5 . 1 1 36 36 THR CB C 36 69.567 69.567 68.800 0.767 25959 657 1 5 . 1 1 36 36 THR H H 36 7.771 7.771 8.044 -0.273 25959 658 1 5 . 1 1 37 37 SER HA H 37 4.535 4.535 4.485 0.050 25959 659 1 5 . 1 1 37 37 SER CB C 37 64.134 64.134 63.898 0.236 25959 660 1 5 . 1 1 37 37 SER H H 37 7.987 7.987 7.952 0.035 25959 661 1 6 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.012 0.162 25959 662 1 6 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.711 -0.188 25959 663 1 6 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.268 -0.200 25959 664 1 6 . 1 1 2 2 ARG H H 2 8.868 8.868 8.841 0.027 25959 665 1 6 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.161 0.122 25959 666 1 6 . 1 1 3 3 TYR CA C 3 61.888 61.888 62.044 -0.156 25959 667 1 6 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.170 0.196 25959 668 1 6 . 1 1 3 3 TYR H H 3 8.358 8.358 8.453 -0.095 25959 669 1 6 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.043 -0.291 25959 670 1 6 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.074 -0.120 25959 671 1 6 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.275 0.016 25959 672 1 6 . 1 1 4 4 GLN H H 4 8.314 8.314 8.193 0.121 25959 673 1 6 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.470 -0.058 25959 674 1 6 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.261 -0.227 25959 675 1 6 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.834 -1.806 25959 676 1 6 . 1 1 5 5 ASP H H 5 8.148 8.148 8.323 -0.175 25959 677 1 6 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.243 -0.057 25959 678 1 6 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.639 -2.336 25959 679 1 6 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.252 10.768 25959 680 1 6 . 1 1 6 6 CYS H H 6 8.207 8.207 7.963 0.244 25959 681 1 6 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.945 -0.242 25959 682 1 6 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.859 0.612 25959 683 1 6 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.958 0.160 25959 684 1 6 . 1 1 7 7 LEU H H 7 8.427 8.427 8.184 0.243 25959 685 1 6 . 1 1 8 8 SER HA H 8 4.207 4.207 4.023 0.184 25959 686 1 6 . 1 1 8 8 SER CA C 8 61.942 61.942 61.861 0.081 25959 687 1 6 . 1 1 8 8 SER CB C 8 62.941 62.941 62.556 0.385 25959 688 1 6 . 1 1 8 8 SER H H 8 8.397 8.397 8.512 -0.115 25959 689 1 6 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.005 0.140 25959 690 1 6 . 1 1 9 9 GLU CA C 9 59.008 59.008 58.857 0.151 25959 691 1 6 . 1 1 9 9 GLU CB C 9 27.929 27.929 28.848 -0.919 25959 692 1 6 . 1 1 9 9 GLU H H 9 8.121 8.121 8.055 0.066 25959 693 1 6 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.073 0.180 25959 694 1 6 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.691 -3.020 25959 695 1 6 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.799 12.622 25959 696 1 6 . 1 1 10 10 CYS H H 10 8.396 8.396 8.534 -0.138 25959 697 1 6 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.416 -0.293 25959 698 1 6 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.389 0.712 25959 699 1 6 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.398 0.327 25959 700 1 6 . 1 1 11 11 ASN H H 11 8.710 8.710 8.536 0.174 25959 701 1 6 . 1 1 12 12 SER HA H 12 4.211 4.211 4.295 -0.084 25959 702 1 6 . 1 1 12 12 SER CA C 12 61.961 61.961 60.823 1.138 25959 703 1 6 . 1 1 12 12 SER CB C 12 62.948 62.948 63.117 -0.169 25959 704 1 6 . 1 1 12 12 SER H H 12 8.029 8.029 8.135 -0.106 25959 705 1 6 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.329 -0.147 25959 706 1 6 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.634 0.520 25959 707 1 6 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.876 -0.785 25959 708 1 6 . 1 1 13 13 ARG H H 13 7.955 7.955 7.703 0.252 25959 709 1 6 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.607 0.125 25959 710 1 6 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.028 11.724 25959 711 1 6 . 1 1 14 14 CYS H H 14 7.926 7.926 8.509 -0.583 25959 712 1 6 . 1 1 15 15 THR HA H 15 4.117 4.117 4.109 0.008 25959 713 1 6 . 1 1 15 15 THR CA C 15 64.667 64.667 64.692 -0.025 25959 714 1 6 . 1 1 15 15 THR CB C 15 69.599 69.599 68.558 1.042 25959 715 1 6 . 1 1 15 15 THR H H 15 7.641 7.641 8.161 -0.520 25959 716 1 6 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.369 0.059 25959 717 1 6 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.098 -1.229 25959 718 1 6 . 1 1 16 16 TYR H H 16 7.370 7.370 7.484 -0.114 25959 719 1 6 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.068 0.119 25959 720 1 6 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.889 -0.368 25959 721 1 6 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.778 1.043 25959 722 1 6 . 1 1 17 17 ILE H H 17 7.385 7.385 7.527 -0.142 25959 723 1 6 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.177 0.282 25959 724 1 6 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.782 0.735 25959 725 1 6 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.077 -0.357 25959 726 1 6 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.508 0.316 25959 727 1 6 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.240 0.551 25959 728 1 6 . 1 1 19 19 ASP H H 19 7.527 7.527 8.136 -0.609 25959 729 1 6 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.046 0.160 25959 730 1 6 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.328 0.585 25959 731 1 6 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.173 0.445 25959 732 1 6 . 1 1 20 20 TYR H H 20 8.858 8.858 8.600 0.258 25959 733 1 6 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.148 -0.184 25959 734 1 6 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.410 -0.044 25959 735 1 6 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.658 0.402 25959 736 1 6 . 1 1 21 21 ALA H H 21 8.669 8.669 8.390 0.279 25959 737 1 6 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.724 0.197 25959 738 1 6 . 1 1 22 22 GLY H H 22 8.106 8.106 7.911 0.195 25959 739 1 6 . 1 1 23 23 MET HA H 23 3.983 3.983 4.131 -0.148 25959 740 1 6 . 1 1 23 23 MET CA C 23 60.246 60.246 58.454 1.792 25959 741 1 6 . 1 1 23 23 MET CB C 23 31.953 31.953 32.628 -0.675 25959 742 1 6 . 1 1 23 23 MET H H 23 8.406 8.406 8.182 0.224 25959 743 1 6 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.935 -0.140 25959 744 1 6 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.864 -1.097 25959 745 1 6 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.380 -1.283 25959 746 1 6 . 1 1 24 24 ARG H H 24 8.411 8.411 8.353 0.058 25959 747 1 6 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.103 0.030 25959 748 1 6 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.042 -0.151 25959 749 1 6 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.041 0.019 25959 750 1 6 . 1 1 25 25 ALA H H 25 8.004 8.004 8.204 -0.200 25959 751 1 6 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.180 -0.042 25959 752 1 6 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.331 -2.171 25959 753 1 6 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.605 8.602 25959 754 1 6 . 1 1 26 26 CYS H H 26 7.761 7.761 8.063 -0.302 25959 755 1 6 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.723 0.002 25959 756 1 6 . 1 1 27 27 ILE CA C 27 65.188 65.188 65.047 0.141 25959 757 1 6 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.623 0.609 25959 758 1 6 . 1 1 27 27 ILE H H 27 8.363 8.363 8.159 0.204 25959 759 1 6 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.746 0.089 25959 760 1 6 . 1 1 28 28 GLY H H 28 8.037 8.037 8.096 -0.059 25959 761 1 6 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.433 -0.053 25959 762 1 6 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.888 -0.055 25959 763 1 6 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.084 0.604 25959 764 1 6 . 1 1 29 29 LEU H H 29 7.457 7.457 7.969 -0.512 25959 765 1 6 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.019 0.478 25959 766 1 6 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.446 13.022 25959 767 1 6 . 1 1 30 30 CYS H H 30 7.869 7.869 8.196 -0.327 25959 768 1 6 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.887 0.372 25959 769 1 6 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.769 0.519 25959 770 1 6 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.152 -0.584 25959 771 1 6 . 1 1 31 31 ALA H H 31 8.506 8.506 8.140 0.366 25959 772 1 6 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.105 0.269 25959 773 1 6 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.112 -0.094 25959 774 1 6 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.159 -0.513 25959 775 1 6 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.233 0.008 25959 776 1 6 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.798 0.053 25959 777 1 6 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.097 0.570 25959 778 1 6 . 1 1 33 33 ALA H H 33 7.427 7.427 8.052 -0.625 25959 779 1 6 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.250 0.547 25959 780 1 6 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.175 13.344 25959 781 1 6 . 1 1 34 34 CYS H H 34 8.137 8.137 7.900 0.237 25959 782 1 6 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.280 0.019 25959 783 1 6 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.718 -0.058 25959 784 1 6 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.766 0.905 25959 785 1 6 . 1 1 35 35 LEU H H 35 7.968 7.968 8.588 -0.620 25959 786 1 6 . 1 1 36 36 THR HA H 36 4.372 4.372 4.173 0.199 25959 787 1 6 . 1 1 36 36 THR CA C 36 62.615 62.615 64.499 -1.884 25959 788 1 6 . 1 1 36 36 THR CB C 36 69.567 69.567 69.020 0.547 25959 789 1 6 . 1 1 36 36 THR H H 36 7.771 7.771 8.125 -0.354 25959 790 1 6 . 1 1 37 37 SER HA H 37 4.535 4.535 4.436 0.099 25959 791 1 6 . 1 1 37 37 SER CB C 37 64.134 64.134 63.784 0.350 25959 792 1 6 . 1 1 37 37 SER H H 37 7.987 7.987 7.819 0.168 25959 793 1 7 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.014 0.160 25959 794 1 7 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.464 0.059 25959 795 1 7 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.205 -0.137 25959 796 1 7 . 1 1 2 2 ARG H H 2 8.868 8.868 8.668 0.200 25959 797 1 7 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.095 0.188 25959 798 1 7 . 1 1 3 3 TYR CA C 3 61.888 61.888 60.941 0.948 25959 799 1 7 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.520 -0.153 25959 800 1 7 . 1 1 3 3 TYR H H 3 8.358 8.358 8.436 -0.078 25959 801 1 7 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.721 0.031 25959 802 1 7 . 1 1 4 4 GLN CA C 4 58.954 58.954 58.708 0.246 25959 803 1 7 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.962 0.329 25959 804 1 7 . 1 1 4 4 GLN H H 4 8.314 8.314 8.617 -0.303 25959 805 1 7 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.415 -0.003 25959 806 1 7 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.115 -0.081 25959 807 1 7 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.771 -1.743 25959 808 1 7 . 1 1 5 5 ASP H H 5 8.148 8.148 8.304 -0.156 25959 809 1 7 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.386 -0.200 25959 810 1 7 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.038 -1.735 25959 811 1 7 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.327 10.693 25959 812 1 7 . 1 1 6 6 CYS H H 6 8.207 8.207 8.028 0.179 25959 813 1 7 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.793 -0.090 25959 814 1 7 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.708 -0.237 25959 815 1 7 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.768 0.350 25959 816 1 7 . 1 1 7 7 LEU H H 7 8.427 8.427 8.259 0.168 25959 817 1 7 . 1 1 8 8 SER HA H 8 4.207 4.207 3.998 0.209 25959 818 1 7 . 1 1 8 8 SER CA C 8 61.942 61.942 62.449 -0.507 25959 819 1 7 . 1 1 8 8 SER CB C 8 62.941 62.941 62.625 0.316 25959 820 1 7 . 1 1 8 8 SER H H 8 8.397 8.397 8.222 0.175 25959 821 1 7 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.934 0.211 25959 822 1 7 . 1 1 9 9 GLU CA C 9 59.008 59.008 58.979 0.029 25959 823 1 7 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.299 -1.370 25959 824 1 7 . 1 1 9 9 GLU H H 9 8.121 8.121 8.076 0.045 25959 825 1 7 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.000 0.253 25959 826 1 7 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.170 -3.499 25959 827 1 7 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.988 12.433 25959 828 1 7 . 1 1 10 10 CYS H H 10 8.396 8.396 8.352 0.044 25959 829 1 7 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.360 -0.237 25959 830 1 7 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.559 0.542 25959 831 1 7 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.257 0.468 25959 832 1 7 . 1 1 11 11 ASN H H 11 8.710 8.710 8.480 0.230 25959 833 1 7 . 1 1 12 12 SER HA H 12 4.211 4.211 4.270 -0.059 25959 834 1 7 . 1 1 12 12 SER CA C 12 61.961 61.961 60.831 1.129 25959 835 1 7 . 1 1 12 12 SER CB C 12 62.948 62.948 63.210 -0.262 25959 836 1 7 . 1 1 12 12 SER H H 12 8.029 8.029 8.112 -0.083 25959 837 1 7 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.353 -0.171 25959 838 1 7 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.149 1.005 25959 839 1 7 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.559 -0.468 25959 840 1 7 . 1 1 13 13 ARG H H 13 7.955 7.955 7.698 0.257 25959 841 1 7 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.835 -0.103 25959 842 1 7 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.926 11.826 25959 843 1 7 . 1 1 14 14 CYS H H 14 7.926 7.926 8.245 -0.319 25959 844 1 7 . 1 1 15 15 THR HA H 15 4.117 4.117 4.144 -0.027 25959 845 1 7 . 1 1 15 15 THR CA C 15 64.667 64.667 64.050 0.617 25959 846 1 7 . 1 1 15 15 THR CB C 15 69.599 69.599 68.482 1.117 25959 847 1 7 . 1 1 15 15 THR H H 15 7.641 7.641 8.136 -0.496 25959 848 1 7 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.425 0.003 25959 849 1 7 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.009 -1.140 25959 850 1 7 . 1 1 16 16 TYR H H 16 7.370 7.370 7.590 -0.220 25959 851 1 7 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.137 0.050 25959 852 1 7 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.489 1.032 25959 853 1 7 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.761 2.061 25959 854 1 7 . 1 1 17 17 ILE H H 17 7.385 7.385 7.593 -0.208 25959 855 1 7 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.324 0.135 25959 856 1 7 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.611 0.906 25959 857 1 7 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.032 -0.312 25959 858 1 7 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.507 0.317 25959 859 1 7 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.610 1.181 25959 860 1 7 . 1 1 19 19 ASP H H 19 7.527 7.527 8.307 -0.780 25959 861 1 7 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.114 0.092 25959 862 1 7 . 1 1 20 20 TYR CA C 20 61.913 61.913 60.727 1.187 25959 863 1 7 . 1 1 20 20 TYR CB C 20 38.618 38.618 36.667 1.951 25959 864 1 7 . 1 1 20 20 TYR H H 20 8.858 8.858 8.421 0.437 25959 865 1 7 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.142 -0.178 25959 866 1 7 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.504 -0.138 25959 867 1 7 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.203 0.857 25959 868 1 7 . 1 1 21 21 ALA H H 21 8.669 8.669 7.895 0.774 25959 869 1 7 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.008 -0.087 25959 870 1 7 . 1 1 22 22 GLY H H 22 8.106 8.106 8.376 -0.270 25959 871 1 7 . 1 1 23 23 MET HA H 23 3.983 3.983 4.119 -0.136 25959 872 1 7 . 1 1 23 23 MET CA C 23 60.246 60.246 58.633 1.613 25959 873 1 7 . 1 1 23 23 MET CB C 23 31.953 31.953 32.618 -0.665 25959 874 1 7 . 1 1 23 23 MET H H 23 8.406 8.406 8.248 0.158 25959 875 1 7 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.966 -0.171 25959 876 1 7 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.835 -1.068 25959 877 1 7 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.231 -1.134 25959 878 1 7 . 1 1 24 24 ARG H H 24 8.411 8.411 8.606 -0.195 25959 879 1 7 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.139 -0.006 25959 880 1 7 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.029 -0.138 25959 881 1 7 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.119 -0.059 25959 882 1 7 . 1 1 25 25 ALA H H 25 8.004 8.004 8.217 -0.213 25959 883 1 7 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.155 -0.017 25959 884 1 7 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.423 -2.264 25959 885 1 7 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.531 8.676 25959 886 1 7 . 1 1 26 26 CYS H H 26 7.761 7.761 8.157 -0.396 25959 887 1 7 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.944 -0.219 25959 888 1 7 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.718 0.470 25959 889 1 7 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.746 0.486 25959 890 1 7 . 1 1 27 27 ILE H H 27 8.363 8.363 8.589 -0.226 25959 891 1 7 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.871 -0.036 25959 892 1 7 . 1 1 28 28 GLY H H 28 8.037 8.037 8.048 -0.011 25959 893 1 7 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.665 -0.285 25959 894 1 7 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.607 0.226 25959 895 1 7 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.792 -0.104 25959 896 1 7 . 1 1 29 29 LEU H H 29 7.457 7.457 7.838 -0.381 25959 897 1 7 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.045 0.452 25959 898 1 7 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.691 12.777 25959 899 1 7 . 1 1 30 30 CYS H H 30 7.869 7.869 8.345 -0.476 25959 900 1 7 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.110 0.149 25959 901 1 7 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.839 0.449 25959 902 1 7 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.136 -0.567 25959 903 1 7 . 1 1 31 31 ALA H H 31 8.506 8.506 7.849 0.657 25959 904 1 7 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.111 0.263 25959 905 1 7 . 1 1 32 32 PRO CA C 32 66.018 66.018 65.939 0.079 25959 906 1 7 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.155 -0.510 25959 907 1 7 . 1 1 33 33 ALA HA H 33 4.241 4.241 3.994 0.247 25959 908 1 7 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.356 -0.505 25959 909 1 7 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.106 0.561 25959 910 1 7 . 1 1 33 33 ALA H H 33 7.427 7.427 8.021 -0.594 25959 911 1 7 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.248 0.549 25959 912 1 7 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.175 13.344 25959 913 1 7 . 1 1 34 34 CYS H H 34 8.137 8.137 8.018 0.119 25959 914 1 7 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.133 0.166 25959 915 1 7 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.736 -0.076 25959 916 1 7 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.149 0.522 25959 917 1 7 . 1 1 35 35 LEU H H 35 7.968 7.968 8.316 -0.348 25959 918 1 7 . 1 1 36 36 THR HA H 36 4.372 4.372 4.257 0.115 25959 919 1 7 . 1 1 36 36 THR CA C 36 62.615 62.615 64.925 -2.310 25959 920 1 7 . 1 1 36 36 THR CB C 36 69.567 69.567 69.315 0.252 25959 921 1 7 . 1 1 36 36 THR H H 36 7.771 7.771 8.048 -0.277 25959 922 1 7 . 1 1 37 37 SER HA H 37 4.535 4.535 4.555 -0.020 25959 923 1 7 . 1 1 37 37 SER CB C 37 64.134 64.134 64.223 -0.089 25959 924 1 7 . 1 1 37 37 SER H H 37 7.987 7.987 7.959 0.028 25959 925 1 8 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.089 0.085 25959 926 1 8 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.188 0.335 25959 927 1 8 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.173 -0.105 25959 928 1 8 . 1 1 2 2 ARG H H 2 8.868 8.868 8.772 0.096 25959 929 1 8 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.217 0.066 25959 930 1 8 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.193 0.695 25959 931 1 8 . 1 1 3 3 TYR CB C 3 38.367 38.367 37.945 0.422 25959 932 1 8 . 1 1 3 3 TYR H H 3 8.358 8.358 8.538 -0.180 25959 933 1 8 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.822 -0.070 25959 934 1 8 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.275 -0.321 25959 935 1 8 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.665 0.626 25959 936 1 8 . 1 1 4 4 GLN H H 4 8.314 8.314 8.524 -0.210 25959 937 1 8 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.391 0.021 25959 938 1 8 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.373 -0.340 25959 939 1 8 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.894 -1.866 25959 940 1 8 . 1 1 5 5 ASP H H 5 8.148 8.148 8.116 0.032 25959 941 1 8 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.135 0.051 25959 942 1 8 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.157 -1.854 25959 943 1 8 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.203 10.817 25959 944 1 8 . 1 1 6 6 CYS H H 6 8.207 8.207 8.338 -0.131 25959 945 1 8 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.724 -0.021 25959 946 1 8 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.031 0.440 25959 947 1 8 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.509 0.609 25959 948 1 8 . 1 1 7 7 LEU H H 7 8.427 8.427 8.589 -0.162 25959 949 1 8 . 1 1 8 8 SER HA H 8 4.207 4.207 3.993 0.214 25959 950 1 8 . 1 1 8 8 SER CA C 8 61.942 61.942 62.360 -0.418 25959 951 1 8 . 1 1 8 8 SER CB C 8 62.941 62.941 62.775 0.166 25959 952 1 8 . 1 1 8 8 SER H H 8 8.397 8.397 8.056 0.341 25959 953 1 8 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.976 0.169 25959 954 1 8 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.941 -0.933 25959 955 1 8 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.444 -1.515 25959 956 1 8 . 1 1 9 9 GLU H H 9 8.121 8.121 8.279 -0.158 25959 957 1 8 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.042 0.211 25959 958 1 8 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.282 -3.611 25959 959 1 8 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.120 12.301 25959 960 1 8 . 1 1 10 10 CYS H H 10 8.396 8.396 8.350 0.046 25959 961 1 8 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.375 -0.252 25959 962 1 8 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.344 0.757 25959 963 1 8 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.422 0.302 25959 964 1 8 . 1 1 11 11 ASN H H 11 8.710 8.710 8.523 0.187 25959 965 1 8 . 1 1 12 12 SER HA H 12 4.211 4.211 4.236 -0.025 25959 966 1 8 . 1 1 12 12 SER CA C 12 61.961 61.961 60.838 1.123 25959 967 1 8 . 1 1 12 12 SER CB C 12 62.948 62.948 62.878 0.070 25959 968 1 8 . 1 1 12 12 SER H H 12 8.029 8.029 8.169 -0.140 25959 969 1 8 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.417 -0.235 25959 970 1 8 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.029 1.125 25959 971 1 8 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.539 -0.448 25959 972 1 8 . 1 1 13 13 ARG H H 13 7.955 7.955 7.831 0.124 25959 973 1 8 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.747 -0.015 25959 974 1 8 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.163 11.589 25959 975 1 8 . 1 1 14 14 CYS H H 14 7.926 7.926 8.532 -0.606 25959 976 1 8 . 1 1 15 15 THR HA H 15 4.117 4.117 4.103 0.014 25959 977 1 8 . 1 1 15 15 THR CA C 15 64.667 64.667 64.289 0.378 25959 978 1 8 . 1 1 15 15 THR CB C 15 69.599 69.599 68.322 1.277 25959 979 1 8 . 1 1 15 15 THR H H 15 7.641 7.641 8.086 -0.445 25959 980 1 8 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.369 0.059 25959 981 1 8 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.897 -1.028 25959 982 1 8 . 1 1 16 16 TYR H H 16 7.370 7.370 7.573 -0.203 25959 983 1 8 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.206 -0.019 25959 984 1 8 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.225 0.296 25959 985 1 8 . 1 1 17 17 ILE CB C 17 38.821 38.821 38.110 0.711 25959 986 1 8 . 1 1 17 17 ILE H H 17 7.385 7.385 7.498 -0.113 25959 987 1 8 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.216 0.243 25959 988 1 8 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.259 1.258 25959 989 1 8 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.767 -0.047 25959 990 1 8 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.497 0.327 25959 991 1 8 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.503 1.288 25959 992 1 8 . 1 1 19 19 ASP H H 19 7.527 7.527 8.275 -0.748 25959 993 1 8 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.011 0.195 25959 994 1 8 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.323 -0.410 25959 995 1 8 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.942 0.676 25959 996 1 8 . 1 1 20 20 TYR H H 20 8.858 8.858 8.621 0.237 25959 997 1 8 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.104 -0.140 25959 998 1 8 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.587 -0.221 25959 999 1 8 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.438 0.622 25959 1000 1 8 . 1 1 21 21 ALA H H 21 8.669 8.669 8.578 0.091 25959 1001 1 8 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.062 -0.141 25959 1002 1 8 . 1 1 22 22 GLY H H 22 8.106 8.106 8.459 -0.353 25959 1003 1 8 . 1 1 23 23 MET HA H 23 3.983 3.983 4.167 -0.184 25959 1004 1 8 . 1 1 23 23 MET CA C 23 60.246 60.246 58.139 2.107 25959 1005 1 8 . 1 1 23 23 MET CB C 23 31.953 31.953 32.573 -0.620 25959 1006 1 8 . 1 1 23 23 MET H H 23 8.406 8.406 7.982 0.424 25959 1007 1 8 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.098 -0.303 25959 1008 1 8 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.050 -0.284 25959 1009 1 8 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.031 -0.934 25959 1010 1 8 . 1 1 24 24 ARG H H 24 8.411 8.411 8.479 -0.068 25959 1011 1 8 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.206 -0.073 25959 1012 1 8 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.017 -0.126 25959 1013 1 8 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.201 -0.141 25959 1014 1 8 . 1 1 25 25 ALA H H 25 8.004 8.004 8.465 -0.461 25959 1015 1 8 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.169 -0.031 25959 1016 1 8 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.451 -2.291 25959 1017 1 8 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.524 8.683 25959 1018 1 8 . 1 1 26 26 CYS H H 26 7.761 7.761 8.107 -0.346 25959 1019 1 8 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.888 -0.163 25959 1020 1 8 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.463 0.725 25959 1021 1 8 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.673 0.559 25959 1022 1 8 . 1 1 27 27 ILE H H 27 8.363 8.363 8.301 0.062 25959 1023 1 8 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.696 0.139 25959 1024 1 8 . 1 1 28 28 GLY H H 28 8.037 8.037 7.983 0.054 25959 1025 1 8 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.677 -0.297 25959 1026 1 8 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.763 0.070 25959 1027 1 8 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.919 -0.231 25959 1028 1 8 . 1 1 29 29 LEU H H 29 7.457 7.457 7.635 -0.178 25959 1029 1 8 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.053 0.444 25959 1030 1 8 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.716 12.752 25959 1031 1 8 . 1 1 30 30 CYS H H 30 7.869 7.869 8.292 -0.423 25959 1032 1 8 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.140 0.119 25959 1033 1 8 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.854 0.434 25959 1034 1 8 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.138 -0.569 25959 1035 1 8 . 1 1 31 31 ALA H H 31 8.506 8.506 7.863 0.643 25959 1036 1 8 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.143 0.231 25959 1037 1 8 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.031 -0.013 25959 1038 1 8 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.207 -0.562 25959 1039 1 8 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.157 0.084 25959 1040 1 8 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.806 0.045 25959 1041 1 8 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.170 0.497 25959 1042 1 8 . 1 1 33 33 ALA H H 33 7.427 7.427 8.039 -0.612 25959 1043 1 8 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.209 0.588 25959 1044 1 8 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.085 13.434 25959 1045 1 8 . 1 1 34 34 CYS H H 34 8.137 8.137 8.108 0.029 25959 1046 1 8 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.223 0.076 25959 1047 1 8 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.507 0.153 25959 1048 1 8 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.612 0.059 25959 1049 1 8 . 1 1 35 35 LEU H H 35 7.968 7.968 8.932 -0.965 25959 1050 1 8 . 1 1 36 36 THR HA H 36 4.372 4.372 4.133 0.239 25959 1051 1 8 . 1 1 36 36 THR CA C 36 62.615 62.615 65.257 -2.642 25959 1052 1 8 . 1 1 36 36 THR CB C 36 69.567 69.567 69.244 0.323 25959 1053 1 8 . 1 1 36 36 THR H H 36 7.771 7.771 8.103 -0.332 25959 1054 1 8 . 1 1 37 37 SER HA H 37 4.535 4.535 4.444 0.091 25959 1055 1 8 . 1 1 37 37 SER CB C 37 64.134 64.134 64.167 -0.033 25959 1056 1 8 . 1 1 37 37 SER H H 37 7.987 7.987 7.910 0.077 25959 1057 1 9 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.265 -0.091 25959 1058 1 9 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.651 0.872 25959 1059 1 9 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.130 -0.062 25959 1060 1 9 . 1 1 2 2 ARG H H 2 8.868 8.868 8.537 0.331 25959 1061 1 9 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.192 0.091 25959 1062 1 9 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.363 0.525 25959 1063 1 9 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.374 -0.007 25959 1064 1 9 . 1 1 3 3 TYR H H 3 8.358 8.358 8.449 -0.091 25959 1065 1 9 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.923 -0.171 25959 1066 1 9 . 1 1 4 4 GLN CA C 4 58.954 58.954 58.860 0.094 25959 1067 1 9 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.638 0.653 25959 1068 1 9 . 1 1 4 4 GLN H H 4 8.314 8.314 8.638 -0.324 25959 1069 1 9 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.449 -0.037 25959 1070 1 9 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.470 -0.436 25959 1071 1 9 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.991 -1.963 25959 1072 1 9 . 1 1 5 5 ASP H H 5 8.148 8.148 8.272 -0.124 25959 1073 1 9 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.237 -0.051 25959 1074 1 9 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.657 -2.354 25959 1075 1 9 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.135 10.885 25959 1076 1 9 . 1 1 6 6 CYS H H 6 8.207 8.207 7.834 0.373 25959 1077 1 9 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.874 -0.171 25959 1078 1 9 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.823 0.648 25959 1079 1 9 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.596 0.522 25959 1080 1 9 . 1 1 7 7 LEU H H 7 8.427 8.427 8.172 0.255 25959 1081 1 9 . 1 1 8 8 SER HA H 8 4.207 4.207 3.955 0.252 25959 1082 1 9 . 1 1 8 8 SER CA C 8 61.942 61.942 62.562 -0.620 25959 1083 1 9 . 1 1 8 8 SER CB C 8 62.941 62.941 62.792 0.149 25959 1084 1 9 . 1 1 8 8 SER H H 8 8.397 8.397 8.110 0.287 25959 1085 1 9 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.016 0.129 25959 1086 1 9 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.649 -0.641 25959 1087 1 9 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.559 -1.630 25959 1088 1 9 . 1 1 9 9 GLU H H 9 8.121 8.121 8.024 0.097 25959 1089 1 9 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.055 0.198 25959 1090 1 9 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.987 -3.316 25959 1091 1 9 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.161 12.260 25959 1092 1 9 . 1 1 10 10 CYS H H 10 8.396 8.396 8.335 0.061 25959 1093 1 9 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.388 -0.265 25959 1094 1 9 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.576 0.525 25959 1095 1 9 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.218 0.507 25959 1096 1 9 . 1 1 11 11 ASN H H 11 8.710 8.710 8.540 0.170 25959 1097 1 9 . 1 1 12 12 SER HA H 12 4.211 4.211 4.320 -0.109 25959 1098 1 9 . 1 1 12 12 SER CA C 12 61.961 61.961 60.904 1.057 25959 1099 1 9 . 1 1 12 12 SER CB C 12 62.948 62.948 62.983 -0.035 25959 1100 1 9 . 1 1 12 12 SER H H 12 8.029 8.029 8.113 -0.084 25959 1101 1 9 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.362 -0.180 25959 1102 1 9 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.084 1.070 25959 1103 1 9 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.630 -0.539 25959 1104 1 9 . 1 1 13 13 ARG H H 13 7.955 7.955 7.858 0.097 25959 1105 1 9 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.795 -0.063 25959 1106 1 9 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.048 11.704 25959 1107 1 9 . 1 1 14 14 CYS H H 14 7.926 7.926 8.328 -0.402 25959 1108 1 9 . 1 1 15 15 THR HA H 15 4.117 4.117 4.118 -0.001 25959 1109 1 9 . 1 1 15 15 THR CA C 15 64.667 64.667 64.376 0.291 25959 1110 1 9 . 1 1 15 15 THR CB C 15 69.599 69.599 68.826 0.773 25959 1111 1 9 . 1 1 15 15 THR H H 15 7.641 7.641 8.155 -0.514 25959 1112 1 9 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.390 0.038 25959 1113 1 9 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.865 -0.996 25959 1114 1 9 . 1 1 16 16 TYR H H 16 7.370 7.370 7.722 -0.352 25959 1115 1 9 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.162 0.025 25959 1116 1 9 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.551 -0.030 25959 1117 1 9 . 1 1 17 17 ILE CB C 17 38.821 38.821 38.092 0.729 25959 1118 1 9 . 1 1 17 17 ILE H H 17 7.385 7.385 7.544 -0.159 25959 1119 1 9 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.339 0.120 25959 1120 1 9 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.559 0.958 25959 1121 1 9 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.950 -0.230 25959 1122 1 9 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.480 0.344 25959 1123 1 9 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.001 1.790 25959 1124 1 9 . 1 1 19 19 ASP H H 19 7.527 7.527 8.394 -0.867 25959 1125 1 9 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.029 0.177 25959 1126 1 9 . 1 1 20 20 TYR CA C 20 61.913 61.913 60.854 1.059 25959 1127 1 9 . 1 1 20 20 TYR CB C 20 38.618 38.618 36.794 1.825 25959 1128 1 9 . 1 1 20 20 TYR H H 20 8.858 8.858 8.353 0.505 25959 1129 1 9 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.194 -0.230 25959 1130 1 9 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.377 -0.011 25959 1131 1 9 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.211 0.849 25959 1132 1 9 . 1 1 21 21 ALA H H 21 8.669 8.669 7.834 0.835 25959 1133 1 9 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.062 -0.141 25959 1134 1 9 . 1 1 22 22 GLY H H 22 8.106 8.106 8.278 -0.172 25959 1135 1 9 . 1 1 23 23 MET HA H 23 3.983 3.983 4.205 -0.222 25959 1136 1 9 . 1 1 23 23 MET CA C 23 60.246 60.246 58.203 2.043 25959 1137 1 9 . 1 1 23 23 MET CB C 23 31.953 31.953 32.727 -0.774 25959 1138 1 9 . 1 1 23 23 MET H H 23 8.406 8.406 8.344 0.062 25959 1139 1 9 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.060 -0.265 25959 1140 1 9 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.579 -0.812 25959 1141 1 9 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.266 -1.169 25959 1142 1 9 . 1 1 24 24 ARG H H 24 8.411 8.411 8.167 0.244 25959 1143 1 9 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.195 -0.062 25959 1144 1 9 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.993 -0.102 25959 1145 1 9 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.166 -0.106 25959 1146 1 9 . 1 1 25 25 ALA H H 25 8.004 8.004 8.654 -0.650 25959 1147 1 9 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.163 -0.025 25959 1148 1 9 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.384 -2.224 25959 1149 1 9 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.535 8.672 25959 1150 1 9 . 1 1 26 26 CYS H H 26 7.761 7.761 8.032 -0.271 25959 1151 1 9 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.833 -0.108 25959 1152 1 9 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.569 0.619 25959 1153 1 9 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.638 0.594 25959 1154 1 9 . 1 1 27 27 ILE H H 27 8.363 8.363 8.202 0.161 25959 1155 1 9 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.737 0.097 25959 1156 1 9 . 1 1 28 28 GLY H H 28 8.037 8.037 8.000 0.037 25959 1157 1 9 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.673 -0.293 25959 1158 1 9 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.802 0.031 25959 1159 1 9 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.863 -0.175 25959 1160 1 9 . 1 1 29 29 LEU H H 29 7.457 7.457 7.636 -0.179 25959 1161 1 9 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.036 0.461 25959 1162 1 9 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.587 12.881 25959 1163 1 9 . 1 1 30 30 CYS H H 30 7.869 7.869 8.291 -0.422 25959 1164 1 9 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.063 0.196 25959 1165 1 9 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.969 0.319 25959 1166 1 9 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.050 -0.481 25959 1167 1 9 . 1 1 31 31 ALA H H 31 8.506 8.506 7.910 0.596 25959 1168 1 9 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.138 0.236 25959 1169 1 9 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.118 -0.100 25959 1170 1 9 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.147 -0.502 25959 1171 1 9 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.214 0.027 25959 1172 1 9 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.075 -0.224 25959 1173 1 9 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.129 0.538 25959 1174 1 9 . 1 1 33 33 ALA H H 33 7.427 7.427 8.082 -0.655 25959 1175 1 9 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.259 0.538 25959 1176 1 9 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.303 13.216 25959 1177 1 9 . 1 1 34 34 CYS H H 34 8.137 8.137 8.142 -0.005 25959 1178 1 9 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.240 0.059 25959 1179 1 9 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.858 -0.198 25959 1180 1 9 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.443 1.228 25959 1181 1 9 . 1 1 35 35 LEU H H 35 7.968 7.968 9.023 -1.055 25959 1182 1 9 . 1 1 36 36 THR HA H 36 4.372 4.372 4.156 0.216 25959 1183 1 9 . 1 1 36 36 THR CA C 36 62.615 62.615 64.660 -2.045 25959 1184 1 9 . 1 1 36 36 THR CB C 36 69.567 69.567 68.892 0.675 25959 1185 1 9 . 1 1 36 36 THR H H 36 7.771 7.771 8.113 -0.342 25959 1186 1 9 . 1 1 37 37 SER HA H 37 4.535 4.535 4.496 0.039 25959 1187 1 9 . 1 1 37 37 SER CB C 37 64.134 64.134 63.879 0.255 25959 1188 1 9 . 1 1 37 37 SER H H 37 7.987 7.987 7.902 0.085 25959 1189 1 10 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.260 -0.086 25959 1190 1 10 . 1 1 2 2 ARG CA C 2 59.523 59.523 57.991 1.532 25959 1191 1 10 . 1 1 2 2 ARG CB C 2 30.068 30.068 29.798 0.270 25959 1192 1 10 . 1 1 2 2 ARG H H 2 8.868 8.868 8.664 0.204 25959 1193 1 10 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.215 0.068 25959 1194 1 10 . 1 1 3 3 TYR CA C 3 61.888 61.888 62.027 -0.139 25959 1195 1 10 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.077 0.290 25959 1196 1 10 . 1 1 3 3 TYR H H 3 8.358 8.358 8.551 -0.193 25959 1197 1 10 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.099 -0.347 25959 1198 1 10 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.819 -0.865 25959 1199 1 10 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.141 0.150 25959 1200 1 10 . 1 1 4 4 GLN H H 4 8.314 8.314 8.661 -0.347 25959 1201 1 10 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.555 -0.143 25959 1202 1 10 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.634 -0.600 25959 1203 1 10 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.085 -2.057 25959 1204 1 10 . 1 1 5 5 ASP H H 5 8.148 8.148 8.206 -0.058 25959 1205 1 10 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.227 -0.041 25959 1206 1 10 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.706 -2.403 25959 1207 1 10 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.305 10.716 25959 1208 1 10 . 1 1 6 6 CYS H H 6 8.207 8.207 8.053 0.154 25959 1209 1 10 . 1 1 7 7 LEU HA H 7 3.703 3.703 4.077 -0.374 25959 1210 1 10 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.815 0.657 25959 1211 1 10 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.444 1.674 25959 1212 1 10 . 1 1 7 7 LEU H H 7 8.427 8.427 8.199 0.228 25959 1213 1 10 . 1 1 8 8 SER HA H 8 4.207 4.207 4.046 0.161 25959 1214 1 10 . 1 1 8 8 SER CA C 8 61.942 61.942 62.331 -0.389 25959 1215 1 10 . 1 1 8 8 SER CB C 8 62.941 62.941 63.126 -0.185 25959 1216 1 10 . 1 1 8 8 SER H H 8 8.397 8.397 8.519 -0.122 25959 1217 1 10 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.984 0.161 25959 1218 1 10 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.213 -0.205 25959 1219 1 10 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.296 -1.367 25959 1220 1 10 . 1 1 9 9 GLU H H 9 8.121 8.121 8.014 0.107 25959 1221 1 10 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.081 0.172 25959 1222 1 10 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.610 -2.939 25959 1223 1 10 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.346 12.075 25959 1224 1 10 . 1 1 10 10 CYS H H 10 8.396 8.396 8.181 0.215 25959 1225 1 10 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.410 -0.287 25959 1226 1 10 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.479 0.622 25959 1227 1 10 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.961 0.764 25959 1228 1 10 . 1 1 11 11 ASN H H 11 8.710 8.710 8.611 0.099 25959 1229 1 10 . 1 1 12 12 SER HA H 12 4.211 4.211 4.304 -0.093 25959 1230 1 10 . 1 1 12 12 SER CA C 12 61.961 61.961 61.092 0.869 25959 1231 1 10 . 1 1 12 12 SER CB C 12 62.948 62.948 63.001 -0.053 25959 1232 1 10 . 1 1 12 12 SER H H 12 8.029 8.029 8.166 -0.137 25959 1233 1 10 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.328 -0.146 25959 1234 1 10 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.640 0.514 25959 1235 1 10 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.834 -0.743 25959 1236 1 10 . 1 1 13 13 ARG H H 13 7.955 7.955 7.803 0.152 25959 1237 1 10 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.738 -0.006 25959 1238 1 10 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.225 11.527 25959 1239 1 10 . 1 1 14 14 CYS H H 14 7.926 7.926 8.403 -0.477 25959 1240 1 10 . 1 1 15 15 THR HA H 15 4.117 4.117 4.114 0.003 25959 1241 1 10 . 1 1 15 15 THR CA C 15 64.667 64.667 64.705 -0.038 25959 1242 1 10 . 1 1 15 15 THR CB C 15 69.599 69.599 68.573 1.026 25959 1243 1 10 . 1 1 15 15 THR H H 15 7.641 7.641 7.990 -0.349 25959 1244 1 10 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.404 0.024 25959 1245 1 10 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.854 -0.985 25959 1246 1 10 . 1 1 16 16 TYR H H 16 7.370 7.370 7.665 -0.295 25959 1247 1 10 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.084 0.103 25959 1248 1 10 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.540 0.981 25959 1249 1 10 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.739 2.082 25959 1250 1 10 . 1 1 17 17 ILE H H 17 7.385 7.385 7.593 -0.208 25959 1251 1 10 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.261 0.198 25959 1252 1 10 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.537 0.980 25959 1253 1 10 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.967 -0.247 25959 1254 1 10 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.411 0.413 25959 1255 1 10 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.934 0.858 25959 1256 1 10 . 1 1 19 19 ASP H H 19 7.527 7.527 8.252 -0.725 25959 1257 1 10 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.956 0.250 25959 1258 1 10 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.448 0.465 25959 1259 1 10 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.791 0.827 25959 1260 1 10 . 1 1 20 20 TYR H H 20 8.858 8.858 8.375 0.483 25959 1261 1 10 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.039 -0.075 25959 1262 1 10 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.485 -0.119 25959 1263 1 10 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.575 0.485 25959 1264 1 10 . 1 1 21 21 ALA H H 21 8.669 8.669 8.332 0.337 25959 1265 1 10 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.183 -0.262 25959 1266 1 10 . 1 1 22 22 GLY H H 22 8.106 8.106 7.941 0.165 25959 1267 1 10 . 1 1 23 23 MET HA H 23 3.983 3.983 4.107 -0.124 25959 1268 1 10 . 1 1 23 23 MET CA C 23 60.246 60.246 58.707 1.539 25959 1269 1 10 . 1 1 23 23 MET CB C 23 31.953 31.953 32.551 -0.598 25959 1270 1 10 . 1 1 23 23 MET H H 23 8.406 8.406 8.106 0.300 25959 1271 1 10 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.077 -0.282 25959 1272 1 10 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.531 -0.764 25959 1273 1 10 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.279 -1.182 25959 1274 1 10 . 1 1 24 24 ARG H H 24 8.411 8.411 8.364 0.047 25959 1275 1 10 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.154 -0.021 25959 1276 1 10 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.023 -0.132 25959 1277 1 10 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.126 -0.066 25959 1278 1 10 . 1 1 25 25 ALA H H 25 8.004 8.004 8.575 -0.571 25959 1279 1 10 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.184 -0.046 25959 1280 1 10 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.535 -2.375 25959 1281 1 10 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.667 8.540 25959 1282 1 10 . 1 1 26 26 CYS H H 26 7.761 7.761 8.589 -0.828 25959 1283 1 10 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.763 -0.038 25959 1284 1 10 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.918 0.270 25959 1285 1 10 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.589 0.643 25959 1286 1 10 . 1 1 27 27 ILE H H 27 8.363 8.363 8.096 0.267 25959 1287 1 10 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.819 0.016 25959 1288 1 10 . 1 1 28 28 GLY H H 28 8.037 8.037 8.079 -0.042 25959 1289 1 10 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.508 -0.128 25959 1290 1 10 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.781 0.052 25959 1291 1 10 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.516 0.172 25959 1292 1 10 . 1 1 29 29 LEU H H 29 7.457 7.457 7.709 -0.252 25959 1293 1 10 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.007 0.490 25959 1294 1 10 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.412 13.056 25959 1295 1 10 . 1 1 30 30 CYS H H 30 7.869 7.869 8.186 -0.317 25959 1296 1 10 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.965 0.294 25959 1297 1 10 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.734 0.554 25959 1298 1 10 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.128 -0.559 25959 1299 1 10 . 1 1 31 31 ALA H H 31 8.506 8.506 7.961 0.545 25959 1300 1 10 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.035 0.339 25959 1301 1 10 . 1 1 32 32 PRO CA C 32 66.018 66.018 65.963 0.055 25959 1302 1 10 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.115 -0.470 25959 1303 1 10 . 1 1 33 33 ALA HA H 33 4.241 4.241 3.956 0.285 25959 1304 1 10 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.418 -0.567 25959 1305 1 10 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.069 0.598 25959 1306 1 10 . 1 1 33 33 ALA H H 33 7.427 7.427 7.918 -0.491 25959 1307 1 10 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.157 0.640 25959 1308 1 10 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.742 13.777 25959 1309 1 10 . 1 1 34 34 CYS H H 34 8.137 8.137 7.940 0.197 25959 1310 1 10 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.220 0.079 25959 1311 1 10 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.691 -0.031 25959 1312 1 10 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.772 0.899 25959 1313 1 10 . 1 1 35 35 LEU H H 35 7.968 7.968 8.150 -0.182 25959 1314 1 10 . 1 1 36 36 THR HA H 36 4.372 4.372 4.190 0.182 25959 1315 1 10 . 1 1 36 36 THR CA C 36 62.615 62.615 64.956 -2.341 25959 1316 1 10 . 1 1 36 36 THR CB C 36 69.567 69.567 69.040 0.528 25959 1317 1 10 . 1 1 36 36 THR H H 36 7.771 7.771 7.884 -0.113 25959 1318 1 10 . 1 1 37 37 SER HA H 37 4.535 4.535 4.474 0.061 25959 1319 1 10 . 1 1 37 37 SER CB C 37 64.134 64.134 64.109 0.025 25959 1320 1 10 . 1 1 37 37 SER H H 37 7.987 7.987 7.777 0.210 25959 1321 1 11 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.068 0.106 25959 1322 1 11 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.990 0.533 25959 1323 1 11 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.074 -0.006 25959 1324 1 11 . 1 1 2 2 ARG H H 2 8.868 8.868 8.815 0.053 25959 1325 1 11 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.222 0.061 25959 1326 1 11 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.190 0.698 25959 1327 1 11 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.262 0.105 25959 1328 1 11 . 1 1 3 3 TYR H H 3 8.358 8.358 8.436 -0.078 25959 1329 1 11 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.987 -0.235 25959 1330 1 11 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.644 -0.690 25959 1331 1 11 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.211 0.080 25959 1332 1 11 . 1 1 4 4 GLN H H 4 8.314 8.314 9.128 -0.814 25959 1333 1 11 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.413 -0.001 25959 1334 1 11 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.552 -0.518 25959 1335 1 11 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.171 -2.143 25959 1336 1 11 . 1 1 5 5 ASP H H 5 8.148 8.148 8.278 -0.130 25959 1337 1 11 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.069 0.117 25959 1338 1 11 . 1 1 6 6 CYS CA C 6 60.303 60.303 63.127 -2.824 25959 1339 1 11 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.315 10.705 25959 1340 1 11 . 1 1 6 6 CYS H H 6 8.207 8.207 8.073 0.134 25959 1341 1 11 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.868 -0.165 25959 1342 1 11 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.519 -0.048 25959 1343 1 11 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.392 0.726 25959 1344 1 11 . 1 1 7 7 LEU H H 7 8.427 8.427 8.314 0.113 25959 1345 1 11 . 1 1 8 8 SER HA H 8 4.207 4.207 4.267 -0.060 25959 1346 1 11 . 1 1 8 8 SER CA C 8 61.942 61.942 61.906 0.037 25959 1347 1 11 . 1 1 8 8 SER CB C 8 62.941 62.941 62.718 0.223 25959 1348 1 11 . 1 1 8 8 SER H H 8 8.397 8.397 8.358 0.039 25959 1349 1 11 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.981 0.164 25959 1350 1 11 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.509 -0.501 25959 1351 1 11 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.781 -1.852 25959 1352 1 11 . 1 1 9 9 GLU H H 9 8.121 8.121 7.907 0.214 25959 1353 1 11 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.079 0.174 25959 1354 1 11 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.192 -3.521 25959 1355 1 11 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.267 12.154 25959 1356 1 11 . 1 1 10 10 CYS H H 10 8.396 8.396 8.530 -0.134 25959 1357 1 11 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.399 -0.276 25959 1358 1 11 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.613 0.488 25959 1359 1 11 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.701 1.024 25959 1360 1 11 . 1 1 11 11 ASN H H 11 8.710 8.710 8.368 0.342 25959 1361 1 11 . 1 1 12 12 SER HA H 12 4.211 4.211 4.260 -0.049 25959 1362 1 11 . 1 1 12 12 SER CA C 12 61.961 61.961 61.198 0.763 25959 1363 1 11 . 1 1 12 12 SER CB C 12 62.948 62.948 62.923 0.025 25959 1364 1 11 . 1 1 12 12 SER H H 12 8.029 8.029 8.639 -0.610 25959 1365 1 11 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.417 -0.235 25959 1366 1 11 . 1 1 13 13 ARG CA C 13 59.154 59.154 57.658 1.496 25959 1367 1 11 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.712 -0.621 25959 1368 1 11 . 1 1 13 13 ARG H H 13 7.955 7.955 7.861 0.094 25959 1369 1 11 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.491 0.241 25959 1370 1 11 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.495 12.257 25959 1371 1 11 . 1 1 14 14 CYS H H 14 7.926 7.926 8.271 -0.345 25959 1372 1 11 . 1 1 15 15 THR HA H 15 4.117 4.117 4.099 0.018 25959 1373 1 11 . 1 1 15 15 THR CA C 15 64.667 64.667 64.179 0.488 25959 1374 1 11 . 1 1 15 15 THR CB C 15 69.599 69.599 68.145 1.454 25959 1375 1 11 . 1 1 15 15 THR H H 15 7.641 7.641 8.370 -0.729 25959 1376 1 11 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.360 0.068 25959 1377 1 11 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.065 -1.196 25959 1378 1 11 . 1 1 16 16 TYR H H 16 7.370 7.370 7.404 -0.034 25959 1379 1 11 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.136 0.051 25959 1380 1 11 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.669 0.852 25959 1381 1 11 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.874 1.947 25959 1382 1 11 . 1 1 17 17 ILE H H 17 7.385 7.385 7.538 -0.153 25959 1383 1 11 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.228 0.231 25959 1384 1 11 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.375 1.142 25959 1385 1 11 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.091 -0.371 25959 1386 1 11 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.680 0.144 25959 1387 1 11 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.684 1.107 25959 1388 1 11 . 1 1 19 19 ASP H H 19 7.527 7.527 8.288 -0.761 25959 1389 1 11 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.989 0.217 25959 1390 1 11 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.898 -0.985 25959 1391 1 11 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.028 0.590 25959 1392 1 11 . 1 1 20 20 TYR H H 20 8.858 8.858 8.959 -0.101 25959 1393 1 11 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.095 -0.131 25959 1394 1 11 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.611 -0.245 25959 1395 1 11 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.456 0.604 25959 1396 1 11 . 1 1 21 21 ALA H H 21 8.669 8.669 8.633 0.036 25959 1397 1 11 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.923 -0.002 25959 1398 1 11 . 1 1 22 22 GLY H H 22 8.106 8.106 8.585 -0.479 25959 1399 1 11 . 1 1 23 23 MET HA H 23 3.983 3.983 4.138 -0.155 25959 1400 1 11 . 1 1 23 23 MET CA C 23 60.246 60.246 58.486 1.760 25959 1401 1 11 . 1 1 23 23 MET CB C 23 31.953 31.953 32.637 -0.684 25959 1402 1 11 . 1 1 23 23 MET H H 23 8.406 8.406 8.102 0.304 25959 1403 1 11 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.981 -0.186 25959 1404 1 11 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.331 -0.564 25959 1405 1 11 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.052 -0.955 25959 1406 1 11 . 1 1 24 24 ARG H H 24 8.411 8.411 8.250 0.161 25959 1407 1 11 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.128 0.005 25959 1408 1 11 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.053 -0.162 25959 1409 1 11 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.151 -0.090 25959 1410 1 11 . 1 1 25 25 ALA H H 25 8.004 8.004 8.214 -0.210 25959 1411 1 11 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.126 0.012 25959 1412 1 11 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.405 -2.245 25959 1413 1 11 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.485 8.722 25959 1414 1 11 . 1 1 26 26 CYS H H 26 7.761 7.761 7.932 -0.171 25959 1415 1 11 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.615 0.110 25959 1416 1 11 . 1 1 27 27 ILE CA C 27 65.188 65.188 65.273 -0.085 25959 1417 1 11 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.510 0.722 25959 1418 1 11 . 1 1 27 27 ILE H H 27 8.363 8.363 8.588 -0.225 25959 1419 1 11 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.938 -0.103 25959 1420 1 11 . 1 1 28 28 GLY H H 28 8.037 8.037 8.011 0.026 25959 1421 1 11 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.528 -0.148 25959 1422 1 11 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.611 0.222 25959 1423 1 11 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.602 0.086 25959 1424 1 11 . 1 1 29 29 LEU H H 29 7.457 7.457 7.771 -0.314 25959 1425 1 11 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.025 0.472 25959 1426 1 11 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.337 13.132 25959 1427 1 11 . 1 1 30 30 CYS H H 30 7.869 7.869 8.162 -0.293 25959 1428 1 11 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.049 0.210 25959 1429 1 11 . 1 1 31 31 ALA CA C 31 57.288 57.288 57.044 0.244 25959 1430 1 11 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.108 -0.539 25959 1431 1 11 . 1 1 31 31 ALA H H 31 8.506 8.506 7.922 0.584 25959 1432 1 11 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.098 0.276 25959 1433 1 11 . 1 1 32 32 PRO CA C 32 66.018 66.018 65.866 0.152 25959 1434 1 11 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.122 -0.477 25959 1435 1 11 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.007 0.234 25959 1436 1 11 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.205 -0.354 25959 1437 1 11 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.080 0.587 25959 1438 1 11 . 1 1 33 33 ALA H H 33 7.427 7.427 8.075 -0.648 25959 1439 1 11 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.089 0.708 25959 1440 1 11 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.621 13.898 25959 1441 1 11 . 1 1 34 34 CYS H H 34 8.137 8.137 7.966 0.171 25959 1442 1 11 . 1 1 35 35 LEU HA H 35 4.299 4.299 3.910 0.389 25959 1443 1 11 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.777 -0.117 25959 1444 1 11 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.853 0.818 25959 1445 1 11 . 1 1 35 35 LEU H H 35 7.968 7.968 8.219 -0.251 25959 1446 1 11 . 1 1 36 36 THR HA H 36 4.372 4.372 4.151 0.221 25959 1447 1 11 . 1 1 36 36 THR CA C 36 62.615 62.615 65.618 -3.003 25959 1448 1 11 . 1 1 36 36 THR CB C 36 69.567 69.567 68.906 0.661 25959 1449 1 11 . 1 1 36 36 THR H H 36 7.771 7.771 7.994 -0.223 25959 1450 1 11 . 1 1 37 37 SER HA H 37 4.535 4.535 4.403 0.132 25959 1451 1 11 . 1 1 37 37 SER CB C 37 64.134 64.134 63.844 0.290 25959 1452 1 11 . 1 1 37 37 SER H H 37 7.987 7.987 7.802 0.185 25959 1453 1 12 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.053 0.121 25959 1454 1 12 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.465 0.057 25959 1455 1 12 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.225 -0.157 25959 1456 1 12 . 1 1 2 2 ARG H H 2 8.868 8.868 8.781 0.087 25959 1457 1 12 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.120 0.163 25959 1458 1 12 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.553 0.335 25959 1459 1 12 . 1 1 3 3 TYR CB C 3 38.367 38.367 37.673 0.694 25959 1460 1 12 . 1 1 3 3 TYR H H 3 8.358 8.358 8.615 -0.257 25959 1461 1 12 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.717 0.035 25959 1462 1 12 . 1 1 4 4 GLN CA C 4 58.954 58.954 58.969 -0.015 25959 1463 1 12 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.449 0.842 25959 1464 1 12 . 1 1 4 4 GLN H H 4 8.314 8.314 8.515 -0.201 25959 1465 1 12 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.321 0.091 25959 1466 1 12 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.661 -0.627 25959 1467 1 12 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.236 -2.208 25959 1468 1 12 . 1 1 5 5 ASP H H 5 8.148 8.148 8.261 -0.113 25959 1469 1 12 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.089 0.097 25959 1470 1 12 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.459 -2.156 25959 1471 1 12 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.273 10.747 25959 1472 1 12 . 1 1 6 6 CYS H H 6 8.207 8.207 8.311 -0.104 25959 1473 1 12 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.759 -0.056 25959 1474 1 12 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.428 0.043 25959 1475 1 12 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.545 0.573 25959 1476 1 12 . 1 1 7 7 LEU H H 7 8.427 8.427 8.336 0.091 25959 1477 1 12 . 1 1 8 8 SER HA H 8 4.207 4.207 3.985 0.222 25959 1478 1 12 . 1 1 8 8 SER CA C 8 61.942 61.942 62.300 -0.358 25959 1479 1 12 . 1 1 8 8 SER CB C 8 62.941 62.941 62.582 0.359 25959 1480 1 12 . 1 1 8 8 SER H H 8 8.397 8.397 8.048 0.349 25959 1481 1 12 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.917 0.228 25959 1482 1 12 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.529 -0.520 25959 1483 1 12 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.790 -1.861 25959 1484 1 12 . 1 1 9 9 GLU H H 9 8.121 8.121 7.899 0.222 25959 1485 1 12 . 1 1 10 10 CYS HA H 10 4.253 4.253 3.980 0.273 25959 1486 1 12 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.014 -3.343 25959 1487 1 12 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.995 12.426 25959 1488 1 12 . 1 1 10 10 CYS H H 10 8.396 8.396 8.427 -0.031 25959 1489 1 12 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.327 -0.204 25959 1490 1 12 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.999 0.102 25959 1491 1 12 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.295 0.430 25959 1492 1 12 . 1 1 11 11 ASN H H 11 8.710 8.710 8.536 0.174 25959 1493 1 12 . 1 1 12 12 SER HA H 12 4.211 4.211 4.233 -0.022 25959 1494 1 12 . 1 1 12 12 SER CA C 12 61.961 61.961 60.949 1.012 25959 1495 1 12 . 1 1 12 12 SER CB C 12 62.948 62.948 63.178 -0.230 25959 1496 1 12 . 1 1 12 12 SER H H 12 8.029 8.029 8.158 -0.129 25959 1497 1 12 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.313 -0.131 25959 1498 1 12 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.143 1.011 25959 1499 1 12 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.562 -0.471 25959 1500 1 12 . 1 1 13 13 ARG H H 13 7.955 7.955 7.716 0.239 25959 1501 1 12 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.826 -0.094 25959 1502 1 12 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.012 11.740 25959 1503 1 12 . 1 1 14 14 CYS H H 14 7.926 7.926 8.581 -0.655 25959 1504 1 12 . 1 1 15 15 THR HA H 15 4.117 4.117 4.123 -0.006 25959 1505 1 12 . 1 1 15 15 THR CA C 15 64.667 64.667 64.230 0.437 25959 1506 1 12 . 1 1 15 15 THR CB C 15 69.599 69.599 68.392 1.206 25959 1507 1 12 . 1 1 15 15 THR H H 15 7.641 7.641 8.065 -0.424 25959 1508 1 12 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.397 0.031 25959 1509 1 12 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.906 -1.037 25959 1510 1 12 . 1 1 16 16 TYR H H 16 7.370 7.370 7.623 -0.253 25959 1511 1 12 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.080 0.107 25959 1512 1 12 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.640 0.881 25959 1513 1 12 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.996 1.825 25959 1514 1 12 . 1 1 17 17 ILE H H 17 7.385 7.385 7.532 -0.147 25959 1515 1 12 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.177 0.282 25959 1516 1 12 . 1 1 18 18 PRO CA C 18 64.517 64.517 62.856 1.661 25959 1517 1 12 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.674 0.046 25959 1518 1 12 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.691 0.133 25959 1519 1 12 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.349 -1.558 25959 1520 1 12 . 1 1 19 19 ASP H H 19 7.527 7.527 7.439 0.088 25959 1521 1 12 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.186 0.020 25959 1522 1 12 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.788 0.125 25959 1523 1 12 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.285 0.333 25959 1524 1 12 . 1 1 20 20 TYR H H 20 8.858 8.858 8.858 0.000 25959 1525 1 12 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.084 -0.120 25959 1526 1 12 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.617 -0.251 25959 1527 1 12 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.663 0.397 25959 1528 1 12 . 1 1 21 21 ALA H H 21 8.669 8.669 8.063 0.606 25959 1529 1 12 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.035 -0.114 25959 1530 1 12 . 1 1 22 22 GLY H H 22 8.106 8.106 8.508 -0.402 25959 1531 1 12 . 1 1 23 23 MET HA H 23 3.983 3.983 4.202 -0.219 25959 1532 1 12 . 1 1 23 23 MET CA C 23 60.246 60.246 58.271 1.975 25959 1533 1 12 . 1 1 23 23 MET CB C 23 31.953 31.953 32.581 -0.628 25959 1534 1 12 . 1 1 23 23 MET H H 23 8.406 8.406 8.196 0.210 25959 1535 1 12 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.022 -0.227 25959 1536 1 12 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.154 -0.387 25959 1537 1 12 . 1 1 24 24 ARG CB C 24 29.097 29.097 29.814 -0.718 25959 1538 1 12 . 1 1 24 24 ARG H H 24 8.411 8.411 8.565 -0.154 25959 1539 1 12 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.135 -0.002 25959 1540 1 12 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.996 -0.105 25959 1541 1 12 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.199 -0.139 25959 1542 1 12 . 1 1 25 25 ALA H H 25 8.004 8.004 8.157 -0.153 25959 1543 1 12 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.174 -0.036 25959 1544 1 12 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.233 -2.073 25959 1545 1 12 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.468 8.739 25959 1546 1 12 . 1 1 26 26 CYS H H 26 7.761 7.761 7.908 -0.147 25959 1547 1 12 . 1 1 27 27 ILE HA H 27 3.725 3.725 4.059 -0.334 25959 1548 1 12 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.057 1.131 25959 1549 1 12 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.868 0.364 25959 1550 1 12 . 1 1 27 27 ILE H H 27 8.363 8.363 8.559 -0.196 25959 1551 1 12 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.367 0.468 25959 1552 1 12 . 1 1 28 28 GLY H H 28 8.037 8.037 8.045 -0.008 25959 1553 1 12 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.751 -0.371 25959 1554 1 12 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.940 -0.107 25959 1555 1 12 . 1 1 29 29 LEU CB C 29 42.688 42.688 43.055 -0.367 25959 1556 1 12 . 1 1 29 29 LEU H H 29 7.457 7.457 7.646 -0.189 25959 1557 1 12 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.205 0.292 25959 1558 1 12 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.753 12.714 25959 1559 1 12 . 1 1 30 30 CYS H H 30 7.869 7.869 8.455 -0.586 25959 1560 1 12 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.209 0.050 25959 1561 1 12 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.105 1.183 25959 1562 1 12 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.236 -0.667 25959 1563 1 12 . 1 1 31 31 ALA H H 31 8.506 8.506 8.021 0.485 25959 1564 1 12 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.148 0.226 25959 1565 1 12 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.163 -0.145 25959 1566 1 12 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.126 -0.481 25959 1567 1 12 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.229 0.012 25959 1568 1 12 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.029 -0.178 25959 1569 1 12 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.139 0.528 25959 1570 1 12 . 1 1 33 33 ALA H H 33 7.427 7.427 7.983 -0.556 25959 1571 1 12 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.291 0.506 25959 1572 1 12 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.643 13.876 25959 1573 1 12 . 1 1 34 34 CYS H H 34 8.137 8.137 8.016 0.121 25959 1574 1 12 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.308 -0.009 25959 1575 1 12 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.992 -0.332 25959 1576 1 12 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.289 0.382 25959 1577 1 12 . 1 1 35 35 LEU H H 35 7.968 7.968 8.479 -0.511 25959 1578 1 12 . 1 1 36 36 THR HA H 36 4.372 4.372 4.079 0.293 25959 1579 1 12 . 1 1 36 36 THR CA C 36 62.615 62.615 65.041 -2.426 25959 1580 1 12 . 1 1 36 36 THR CB C 36 69.567 69.567 68.725 0.842 25959 1581 1 12 . 1 1 36 36 THR H H 36 7.771 7.771 8.046 -0.275 25959 1582 1 12 . 1 1 37 37 SER HA H 37 4.535 4.535 4.426 0.109 25959 1583 1 12 . 1 1 37 37 SER CB C 37 64.134 64.134 64.281 -0.147 25959 1584 1 12 . 1 1 37 37 SER H H 37 7.987 7.987 8.006 -0.019 25959 1585 1 13 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.176 -0.002 25959 1586 1 13 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.191 0.332 25959 1587 1 13 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.169 -0.101 25959 1588 1 13 . 1 1 2 2 ARG H H 2 8.868 8.868 8.545 0.323 25959 1589 1 13 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.163 0.120 25959 1590 1 13 . 1 1 3 3 TYR CA C 3 61.888 61.888 62.040 -0.152 25959 1591 1 13 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.144 0.223 25959 1592 1 13 . 1 1 3 3 TYR H H 3 8.358 8.358 8.498 -0.140 25959 1593 1 13 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.062 -0.310 25959 1594 1 13 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.861 -0.907 25959 1595 1 13 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.109 0.182 25959 1596 1 13 . 1 1 4 4 GLN H H 4 8.314 8.314 8.693 -0.379 25959 1597 1 13 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.452 -0.040 25959 1598 1 13 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.261 -0.227 25959 1599 1 13 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.041 -2.013 25959 1600 1 13 . 1 1 5 5 ASP H H 5 8.148 8.148 8.127 0.021 25959 1601 1 13 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.354 -0.168 25959 1602 1 13 . 1 1 6 6 CYS CA C 6 60.303 60.303 61.987 -1.684 25959 1603 1 13 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.209 10.811 25959 1604 1 13 . 1 1 6 6 CYS H H 6 8.207 8.207 8.178 0.029 25959 1605 1 13 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.866 -0.163 25959 1606 1 13 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.033 0.438 25959 1607 1 13 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.746 0.372 25959 1608 1 13 . 1 1 7 7 LEU H H 7 8.427 8.427 8.083 0.344 25959 1609 1 13 . 1 1 8 8 SER HA H 8 4.207 4.207 4.008 0.199 25959 1610 1 13 . 1 1 8 8 SER CA C 8 61.942 61.942 61.932 0.010 25959 1611 1 13 . 1 1 8 8 SER CB C 8 62.941 62.941 62.873 0.068 25959 1612 1 13 . 1 1 8 8 SER H H 8 8.397 8.397 8.273 0.124 25959 1613 1 13 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.932 0.213 25959 1614 1 13 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.033 -0.026 25959 1615 1 13 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.060 -1.131 25959 1616 1 13 . 1 1 9 9 GLU H H 9 8.121 8.121 8.176 -0.055 25959 1617 1 13 . 1 1 10 10 CYS HA H 10 4.253 4.253 3.980 0.273 25959 1618 1 13 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.089 -3.418 25959 1619 1 13 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.046 12.375 25959 1620 1 13 . 1 1 10 10 CYS H H 10 8.396 8.396 8.222 0.174 25959 1621 1 13 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.318 -0.195 25959 1622 1 13 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.724 0.378 25959 1623 1 13 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.514 0.211 25959 1624 1 13 . 1 1 11 11 ASN H H 11 8.710 8.710 8.477 0.233 25959 1625 1 13 . 1 1 12 12 SER HA H 12 4.211 4.211 4.291 -0.080 25959 1626 1 13 . 1 1 12 12 SER CA C 12 61.961 61.961 60.728 1.233 25959 1627 1 13 . 1 1 12 12 SER CB C 12 62.948 62.948 63.203 -0.255 25959 1628 1 13 . 1 1 12 12 SER H H 12 8.029 8.029 8.009 0.020 25959 1629 1 13 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.372 -0.190 25959 1630 1 13 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.193 0.961 25959 1631 1 13 . 1 1 13 13 ARG CB C 13 30.091 30.091 31.113 -1.022 25959 1632 1 13 . 1 1 13 13 ARG H H 13 7.955 7.955 7.709 0.246 25959 1633 1 13 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.715 0.017 25959 1634 1 13 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.311 11.441 25959 1635 1 13 . 1 1 14 14 CYS H H 14 7.926 7.926 8.467 -0.541 25959 1636 1 13 . 1 1 15 15 THR HA H 15 4.117 4.117 4.062 0.055 25959 1637 1 13 . 1 1 15 15 THR CA C 15 64.667 64.667 64.641 0.026 25959 1638 1 13 . 1 1 15 15 THR CB C 15 69.599 69.599 68.556 1.043 25959 1639 1 13 . 1 1 15 15 THR H H 15 7.641 7.641 8.115 -0.474 25959 1640 1 13 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.380 0.048 25959 1641 1 13 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.121 -1.252 25959 1642 1 13 . 1 1 16 16 TYR H H 16 7.370 7.370 7.666 -0.296 25959 1643 1 13 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.183 0.004 25959 1644 1 13 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.348 0.173 25959 1645 1 13 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.955 0.866 25959 1646 1 13 . 1 1 17 17 ILE H H 17 7.385 7.385 7.531 -0.146 25959 1647 1 13 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.199 0.260 25959 1648 1 13 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.397 1.120 25959 1649 1 13 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.000 -0.280 25959 1650 1 13 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.584 0.240 25959 1651 1 13 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.194 0.597 25959 1652 1 13 . 1 1 19 19 ASP H H 19 7.527 7.527 8.060 -0.533 25959 1653 1 13 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.148 0.058 25959 1654 1 13 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.037 -0.124 25959 1655 1 13 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.301 0.317 25959 1656 1 13 . 1 1 20 20 TYR H H 20 8.858 8.858 8.960 -0.102 25959 1657 1 13 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.151 -0.187 25959 1658 1 13 . 1 1 21 21 ALA CA C 21 55.366 55.366 54.991 0.375 25959 1659 1 13 . 1 1 21 21 ALA CB C 21 18.060 18.060 18.165 -0.104 25959 1660 1 13 . 1 1 21 21 ALA H H 21 8.669 8.669 8.257 0.412 25959 1661 1 13 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.777 0.144 25959 1662 1 13 . 1 1 22 22 GLY H H 22 8.106 8.106 7.899 0.207 25959 1663 1 13 . 1 1 23 23 MET HA H 23 3.983 3.983 4.201 -0.218 25959 1664 1 13 . 1 1 23 23 MET CA C 23 60.246 60.246 58.388 1.858 25959 1665 1 13 . 1 1 23 23 MET CB C 23 31.953 31.953 32.689 -0.736 25959 1666 1 13 . 1 1 23 23 MET H H 23 8.406 8.406 8.166 0.240 25959 1667 1 13 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.037 -0.242 25959 1668 1 13 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.389 -0.623 25959 1669 1 13 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.211 -1.114 25959 1670 1 13 . 1 1 24 24 ARG H H 24 8.411 8.411 8.185 0.226 25959 1671 1 13 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.113 0.020 25959 1672 1 13 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.002 -0.111 25959 1673 1 13 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.155 -0.095 25959 1674 1 13 . 1 1 25 25 ALA H H 25 8.004 8.004 8.190 -0.186 25959 1675 1 13 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.138 -0.000 25959 1676 1 13 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.268 -2.108 25959 1677 1 13 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.462 8.745 25959 1678 1 13 . 1 1 26 26 CYS H H 26 7.761 7.761 7.845 -0.084 25959 1679 1 13 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.912 -0.187 25959 1680 1 13 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.249 0.939 25959 1681 1 13 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.750 0.482 25959 1682 1 13 . 1 1 27 27 ILE H H 27 8.363 8.363 8.425 -0.062 25959 1683 1 13 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.483 0.351 25959 1684 1 13 . 1 1 28 28 GLY H H 28 8.037 8.037 8.012 0.025 25959 1685 1 13 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.671 -0.291 25959 1686 1 13 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.828 0.005 25959 1687 1 13 . 1 1 29 29 LEU CB C 29 42.688 42.688 43.048 -0.360 25959 1688 1 13 . 1 1 29 29 LEU H H 29 7.457 7.457 7.663 -0.206 25959 1689 1 13 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.162 0.335 25959 1690 1 13 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.745 12.723 25959 1691 1 13 . 1 1 30 30 CYS H H 30 7.869 7.869 8.382 -0.513 25959 1692 1 13 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.141 0.118 25959 1693 1 13 . 1 1 31 31 ALA CA C 31 57.288 57.288 55.803 1.485 25959 1694 1 13 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.163 -0.594 25959 1695 1 13 . 1 1 31 31 ALA H H 31 8.506 8.506 7.913 0.593 25959 1696 1 13 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.128 0.246 25959 1697 1 13 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.184 -0.166 25959 1698 1 13 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.110 -0.465 25959 1699 1 13 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.225 0.016 25959 1700 1 13 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.000 -0.149 25959 1701 1 13 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.167 0.500 25959 1702 1 13 . 1 1 33 33 ALA H H 33 7.427 7.427 8.007 -0.580 25959 1703 1 13 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.213 0.584 25959 1704 1 13 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.049 13.470 25959 1705 1 13 . 1 1 34 34 CYS H H 34 8.137 8.137 7.865 0.272 25959 1706 1 13 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.204 0.095 25959 1707 1 13 . 1 1 35 35 LEU CA C 35 57.660 57.660 58.113 -0.453 25959 1708 1 13 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.286 0.385 25959 1709 1 13 . 1 1 35 35 LEU H H 35 7.968 7.968 8.661 -0.693 25959 1710 1 13 . 1 1 36 36 THR HA H 36 4.372 4.372 4.115 0.257 25959 1711 1 13 . 1 1 36 36 THR CA C 36 62.615 62.615 64.728 -2.113 25959 1712 1 13 . 1 1 36 36 THR CB C 36 69.567 69.567 68.902 0.665 25959 1713 1 13 . 1 1 36 36 THR H H 36 7.771 7.771 8.048 -0.277 25959 1714 1 13 . 1 1 37 37 SER HA H 37 4.535 4.535 4.448 0.087 25959 1715 1 13 . 1 1 37 37 SER CB C 37 64.134 64.134 63.911 0.223 25959 1716 1 13 . 1 1 37 37 SER H H 37 7.987 7.987 8.072 -0.085 25959 1717 1 14 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.076 0.098 25959 1718 1 14 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.283 0.240 25959 1719 1 14 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.130 -0.062 25959 1720 1 14 . 1 1 2 2 ARG H H 2 8.868 8.868 8.603 0.265 25959 1721 1 14 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.191 0.092 25959 1722 1 14 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.185 0.703 25959 1723 1 14 . 1 1 3 3 TYR CB C 3 38.367 38.367 37.861 0.506 25959 1724 1 14 . 1 1 3 3 TYR H H 3 8.358 8.358 8.600 -0.242 25959 1725 1 14 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.760 -0.008 25959 1726 1 14 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.144 -0.190 25959 1727 1 14 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.488 0.803 25959 1728 1 14 . 1 1 4 4 GLN H H 4 8.314 8.314 8.525 -0.211 25959 1729 1 14 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.394 0.018 25959 1730 1 14 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.390 -0.356 25959 1731 1 14 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.917 -1.889 25959 1732 1 14 . 1 1 5 5 ASP H H 5 8.148 8.148 8.144 0.004 25959 1733 1 14 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.094 0.092 25959 1734 1 14 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.105 -1.802 25959 1735 1 14 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.046 10.974 25959 1736 1 14 . 1 1 6 6 CYS H H 6 8.207 8.207 8.027 0.180 25959 1737 1 14 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.846 -0.143 25959 1738 1 14 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.591 -0.120 25959 1739 1 14 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.424 1.694 25959 1740 1 14 . 1 1 7 7 LEU H H 7 8.427 8.427 8.322 0.105 25959 1741 1 14 . 1 1 8 8 SER HA H 8 4.207 4.207 3.998 0.209 25959 1742 1 14 . 1 1 8 8 SER CA C 8 61.942 61.942 61.847 0.095 25959 1743 1 14 . 1 1 8 8 SER CB C 8 62.941 62.941 62.846 0.096 25959 1744 1 14 . 1 1 8 8 SER H H 8 8.397 8.397 8.173 0.224 25959 1745 1 14 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.908 0.237 25959 1746 1 14 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.704 -0.696 25959 1747 1 14 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.671 -1.742 25959 1748 1 14 . 1 1 9 9 GLU H H 9 8.121 8.121 7.971 0.150 25959 1749 1 14 . 1 1 10 10 CYS HA H 10 4.253 4.253 3.977 0.276 25959 1750 1 14 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.970 -3.299 25959 1751 1 14 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.998 12.423 25959 1752 1 14 . 1 1 10 10 CYS H H 10 8.396 8.396 8.431 -0.035 25959 1753 1 14 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.346 -0.223 25959 1754 1 14 . 1 1 11 11 ASN CA C 11 57.101 57.101 57.042 0.059 25959 1755 1 14 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.569 0.156 25959 1756 1 14 . 1 1 11 11 ASN H H 11 8.710 8.710 8.509 0.201 25959 1757 1 14 . 1 1 12 12 SER HA H 12 4.211 4.211 4.222 -0.011 25959 1758 1 14 . 1 1 12 12 SER CA C 12 61.961 61.961 60.870 1.091 25959 1759 1 14 . 1 1 12 12 SER CB C 12 62.948 62.948 63.214 -0.266 25959 1760 1 14 . 1 1 12 12 SER H H 12 8.029 8.029 8.154 -0.125 25959 1761 1 14 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.343 -0.161 25959 1762 1 14 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.527 0.627 25959 1763 1 14 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.867 -0.776 25959 1764 1 14 . 1 1 13 13 ARG H H 13 7.955 7.955 7.662 0.293 25959 1765 1 14 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.810 -0.078 25959 1766 1 14 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.040 11.712 25959 1767 1 14 . 1 1 14 14 CYS H H 14 7.926 7.926 8.530 -0.604 25959 1768 1 14 . 1 1 15 15 THR HA H 15 4.117 4.117 4.122 -0.005 25959 1769 1 14 . 1 1 15 15 THR CA C 15 64.667 64.667 64.371 0.296 25959 1770 1 14 . 1 1 15 15 THR CB C 15 69.599 69.599 68.396 1.203 25959 1771 1 14 . 1 1 15 15 THR H H 15 7.641 7.641 8.085 -0.444 25959 1772 1 14 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.395 0.033 25959 1773 1 14 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.773 -0.904 25959 1774 1 14 . 1 1 16 16 TYR H H 16 7.370 7.370 7.653 -0.283 25959 1775 1 14 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.078 0.109 25959 1776 1 14 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.690 -0.169 25959 1777 1 14 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.986 0.835 25959 1778 1 14 . 1 1 17 17 ILE H H 17 7.385 7.385 7.559 -0.174 25959 1779 1 14 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.337 0.122 25959 1780 1 14 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.588 0.929 25959 1781 1 14 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.981 -0.261 25959 1782 1 14 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.517 0.307 25959 1783 1 14 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.519 1.272 25959 1784 1 14 . 1 1 19 19 ASP H H 19 7.527 7.527 8.264 -0.737 25959 1785 1 14 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.058 0.148 25959 1786 1 14 . 1 1 20 20 TYR CA C 20 61.913 61.913 60.510 1.403 25959 1787 1 14 . 1 1 20 20 TYR CB C 20 38.618 38.618 36.747 1.871 25959 1788 1 14 . 1 1 20 20 TYR H H 20 8.858 8.858 8.303 0.555 25959 1789 1 14 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.154 -0.190 25959 1790 1 14 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.477 -0.111 25959 1791 1 14 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.235 0.825 25959 1792 1 14 . 1 1 21 21 ALA H H 21 8.669 8.669 7.881 0.788 25959 1793 1 14 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.033 -0.112 25959 1794 1 14 . 1 1 22 22 GLY H H 22 8.106 8.106 8.333 -0.227 25959 1795 1 14 . 1 1 23 23 MET HA H 23 3.983 3.983 4.206 -0.223 25959 1796 1 14 . 1 1 23 23 MET CA C 23 60.246 60.246 58.143 2.103 25959 1797 1 14 . 1 1 23 23 MET CB C 23 31.953 31.953 32.535 -0.582 25959 1798 1 14 . 1 1 23 23 MET H H 23 8.406 8.406 8.377 0.029 25959 1799 1 14 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.047 -0.252 25959 1800 1 14 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.622 -0.855 25959 1801 1 14 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.185 -1.088 25959 1802 1 14 . 1 1 24 24 ARG H H 24 8.411 8.411 8.364 0.047 25959 1803 1 14 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.131 0.002 25959 1804 1 14 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.012 -0.121 25959 1805 1 14 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.202 -0.142 25959 1806 1 14 . 1 1 25 25 ALA H H 25 8.004 8.004 8.210 -0.206 25959 1807 1 14 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.166 -0.028 25959 1808 1 14 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.347 -2.187 25959 1809 1 14 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.426 8.781 25959 1810 1 14 . 1 1 26 26 CYS H H 26 7.761 7.761 8.021 -0.260 25959 1811 1 14 . 1 1 27 27 ILE HA H 27 3.725 3.725 4.077 -0.352 25959 1812 1 14 . 1 1 27 27 ILE CA C 27 65.188 65.188 63.919 1.269 25959 1813 1 14 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.890 0.342 25959 1814 1 14 . 1 1 27 27 ILE H H 27 8.363 8.363 8.257 0.106 25959 1815 1 14 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.331 0.504 25959 1816 1 14 . 1 1 28 28 GLY H H 28 8.037 8.037 7.958 0.079 25959 1817 1 14 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.724 -0.344 25959 1818 1 14 . 1 1 29 29 LEU CA C 29 55.833 55.833 56.069 -0.236 25959 1819 1 14 . 1 1 29 29 LEU CB C 29 42.688 42.688 43.010 -0.322 25959 1820 1 14 . 1 1 29 29 LEU H H 29 7.457 7.457 7.663 -0.206 25959 1821 1 14 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.203 0.294 25959 1822 1 14 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.822 12.646 25959 1823 1 14 . 1 1 30 30 CYS H H 30 7.869 7.869 8.409 -0.540 25959 1824 1 14 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.171 0.088 25959 1825 1 14 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.139 1.149 25959 1826 1 14 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.232 -0.663 25959 1827 1 14 . 1 1 31 31 ALA H H 31 8.506 8.506 7.999 0.507 25959 1828 1 14 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.126 0.248 25959 1829 1 14 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.066 -0.048 25959 1830 1 14 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.153 -0.508 25959 1831 1 14 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.057 0.184 25959 1832 1 14 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.261 -0.409 25959 1833 1 14 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.149 0.517 25959 1834 1 14 . 1 1 33 33 ALA H H 33 7.427 7.427 7.898 -0.471 25959 1835 1 14 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.255 0.542 25959 1836 1 14 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.823 13.696 25959 1837 1 14 . 1 1 34 34 CYS H H 34 8.137 8.137 7.989 0.148 25959 1838 1 14 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.341 -0.042 25959 1839 1 14 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.764 -0.104 25959 1840 1 14 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.219 0.452 25959 1841 1 14 . 1 1 35 35 LEU H H 35 7.968 7.968 8.450 -0.482 25959 1842 1 14 . 1 1 36 36 THR HA H 36 4.372 4.372 4.068 0.304 25959 1843 1 14 . 1 1 36 36 THR CA C 36 62.615 62.615 65.129 -2.514 25959 1844 1 14 . 1 1 36 36 THR CB C 36 69.567 69.567 69.107 0.460 25959 1845 1 14 . 1 1 36 36 THR H H 36 7.771 7.771 7.867 -0.096 25959 1846 1 14 . 1 1 37 37 SER HA H 37 4.535 4.535 4.433 0.102 25959 1847 1 14 . 1 1 37 37 SER CB C 37 64.134 64.134 63.885 0.249 25959 1848 1 14 . 1 1 37 37 SER H H 37 7.987 7.987 7.950 0.037 25959 1849 1 15 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.026 0.148 25959 1850 1 15 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.808 -0.285 25959 1851 1 15 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.252 -0.184 25959 1852 1 15 . 1 1 2 2 ARG H H 2 8.868 8.868 8.735 0.133 25959 1853 1 15 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.093 0.190 25959 1854 1 15 . 1 1 3 3 TYR CA C 3 61.888 61.888 60.940 0.948 25959 1855 1 15 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.779 -0.412 25959 1856 1 15 . 1 1 3 3 TYR H H 3 8.358 8.358 8.557 -0.199 25959 1857 1 15 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.696 0.056 25959 1858 1 15 . 1 1 4 4 GLN CA C 4 58.954 58.954 58.791 0.163 25959 1859 1 15 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.452 -0.161 25959 1860 1 15 . 1 1 4 4 GLN H H 4 8.314 8.314 7.971 0.343 25959 1861 1 15 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.373 0.039 25959 1862 1 15 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.587 -0.553 25959 1863 1 15 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.005 -1.977 25959 1864 1 15 . 1 1 5 5 ASP H H 5 8.148 8.148 8.252 -0.104 25959 1865 1 15 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.373 -0.187 25959 1866 1 15 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.012 -1.709 25959 1867 1 15 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.249 10.771 25959 1868 1 15 . 1 1 6 6 CYS H H 6 8.207 8.207 8.069 0.138 25959 1869 1 15 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.804 -0.101 25959 1870 1 15 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.596 -0.125 25959 1871 1 15 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.775 0.343 25959 1872 1 15 . 1 1 7 7 LEU H H 7 8.427 8.427 8.314 0.113 25959 1873 1 15 . 1 1 8 8 SER HA H 8 4.207 4.207 3.953 0.254 25959 1874 1 15 . 1 1 8 8 SER CA C 8 61.942 61.942 62.347 -0.405 25959 1875 1 15 . 1 1 8 8 SER CB C 8 62.941 62.941 63.049 -0.108 25959 1876 1 15 . 1 1 8 8 SER H H 8 8.397 8.397 8.303 0.094 25959 1877 1 15 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.926 0.219 25959 1878 1 15 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.026 -0.019 25959 1879 1 15 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.130 -1.201 25959 1880 1 15 . 1 1 9 9 GLU H H 9 8.121 8.121 8.130 -0.009 25959 1881 1 15 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.017 0.236 25959 1882 1 15 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.684 -3.013 25959 1883 1 15 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.161 12.260 25959 1884 1 15 . 1 1 10 10 CYS H H 10 8.396 8.396 8.275 0.121 25959 1885 1 15 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.354 -0.231 25959 1886 1 15 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.974 0.127 25959 1887 1 15 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.464 0.261 25959 1888 1 15 . 1 1 11 11 ASN H H 11 8.710 8.710 8.583 0.127 25959 1889 1 15 . 1 1 12 12 SER HA H 12 4.211 4.211 4.239 -0.028 25959 1890 1 15 . 1 1 12 12 SER CA C 12 61.961 61.961 62.044 -0.083 25959 1891 1 15 . 1 1 12 12 SER CB C 12 62.948 62.948 63.216 -0.268 25959 1892 1 15 . 1 1 12 12 SER H H 12 8.029 8.029 8.380 -0.351 25959 1893 1 15 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.049 0.133 25959 1894 1 15 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.738 0.416 25959 1895 1 15 . 1 1 13 13 ARG CB C 13 30.091 30.091 29.599 0.492 25959 1896 1 15 . 1 1 13 13 ARG H H 13 7.955 7.955 8.368 -0.413 25959 1897 1 15 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.841 -0.109 25959 1898 1 15 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.695 11.057 25959 1899 1 15 . 1 1 14 14 CYS H H 14 7.926 7.926 8.215 -0.289 25959 1900 1 15 . 1 1 15 15 THR HA H 15 4.117 4.117 4.136 -0.019 25959 1901 1 15 . 1 1 15 15 THR CA C 15 64.667 64.667 64.101 0.566 25959 1902 1 15 . 1 1 15 15 THR CB C 15 69.599 69.599 68.605 0.994 25959 1903 1 15 . 1 1 15 15 THR H H 15 7.641 7.641 8.093 -0.452 25959 1904 1 15 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.433 -0.005 25959 1905 1 15 . 1 1 16 16 TYR CB C 16 37.869 37.869 37.724 0.145 25959 1906 1 15 . 1 1 16 16 TYR H H 16 7.370 7.370 7.666 -0.296 25959 1907 1 15 . 1 1 17 17 ILE HA H 17 4.187 4.187 3.568 0.619 25959 1908 1 15 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.335 0.186 25959 1909 1 15 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.382 1.439 25959 1910 1 15 . 1 1 17 17 ILE H H 17 7.385 7.385 7.367 0.018 25959 1911 1 15 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.203 0.256 25959 1912 1 15 . 1 1 18 18 PRO CA C 18 64.517 64.517 62.906 1.611 25959 1913 1 15 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.630 0.090 25959 1914 1 15 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.688 0.136 25959 1915 1 15 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.715 -1.924 25959 1916 1 15 . 1 1 19 19 ASP H H 19 7.527 7.527 7.409 0.118 25959 1917 1 15 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.137 0.069 25959 1918 1 15 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.699 0.214 25959 1919 1 15 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.377 0.241 25959 1920 1 15 . 1 1 20 20 TYR H H 20 8.858 8.858 8.954 -0.096 25959 1921 1 15 . 1 1 21 21 ALA HA H 21 3.964 3.964 3.994 -0.030 25959 1922 1 15 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.374 -0.008 25959 1923 1 15 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.876 0.184 25959 1924 1 15 . 1 1 21 21 ALA H H 21 8.669 8.669 8.068 0.601 25959 1925 1 15 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.821 0.100 25959 1926 1 15 . 1 1 22 22 GLY H H 22 8.106 8.106 7.902 0.204 25959 1927 1 15 . 1 1 23 23 MET HA H 23 3.983 3.983 4.192 -0.209 25959 1928 1 15 . 1 1 23 23 MET CA C 23 60.246 60.246 58.454 1.792 25959 1929 1 15 . 1 1 23 23 MET CB C 23 31.953 31.953 32.591 -0.638 25959 1930 1 15 . 1 1 23 23 MET H H 23 8.406 8.406 7.986 0.420 25959 1931 1 15 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.955 -0.160 25959 1932 1 15 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.589 -0.822 25959 1933 1 15 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.272 -1.175 25959 1934 1 15 . 1 1 24 24 ARG H H 24 8.411 8.411 8.575 -0.164 25959 1935 1 15 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.169 -0.036 25959 1936 1 15 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.985 -0.094 25959 1937 1 15 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.157 -0.097 25959 1938 1 15 . 1 1 25 25 ALA H H 25 8.004 8.004 8.202 -0.198 25959 1939 1 15 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.185 -0.047 25959 1940 1 15 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.297 -2.137 25959 1941 1 15 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.648 8.559 25959 1942 1 15 . 1 1 26 26 CYS H H 26 7.761 7.761 7.995 -0.234 25959 1943 1 15 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.937 -0.212 25959 1944 1 15 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.785 0.403 25959 1945 1 15 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.614 0.618 25959 1946 1 15 . 1 1 27 27 ILE H H 27 8.363 8.363 8.616 -0.253 25959 1947 1 15 . 1 1 28 28 GLY CA C 28 46.835 46.835 47.013 -0.178 25959 1948 1 15 . 1 1 28 28 GLY H H 28 8.037 8.037 8.058 -0.021 25959 1949 1 15 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.609 -0.229 25959 1950 1 15 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.586 0.247 25959 1951 1 15 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.670 0.018 25959 1952 1 15 . 1 1 29 29 LEU H H 29 7.457 7.457 7.817 -0.360 25959 1953 1 15 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.045 0.452 25959 1954 1 15 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.651 12.818 25959 1955 1 15 . 1 1 30 30 CYS H H 30 7.869 7.869 8.247 -0.378 25959 1956 1 15 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.126 0.133 25959 1957 1 15 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.919 0.369 25959 1958 1 15 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.105 -0.536 25959 1959 1 15 . 1 1 31 31 ALA H H 31 8.506 8.506 7.901 0.605 25959 1960 1 15 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.154 0.220 25959 1961 1 15 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.207 -0.189 25959 1962 1 15 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.102 -0.457 25959 1963 1 15 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.202 0.039 25959 1964 1 15 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.110 -0.259 25959 1965 1 15 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.113 0.554 25959 1966 1 15 . 1 1 33 33 ALA H H 33 7.427 7.427 8.103 -0.676 25959 1967 1 15 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.267 0.530 25959 1968 1 15 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.869 13.650 25959 1969 1 15 . 1 1 34 34 CYS H H 34 8.137 8.137 8.161 -0.024 25959 1970 1 15 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.069 0.230 25959 1971 1 15 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.774 -0.114 25959 1972 1 15 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.898 0.773 25959 1973 1 15 . 1 1 35 35 LEU H H 35 7.968 7.968 8.911 -0.943 25959 1974 1 15 . 1 1 36 36 THR HA H 36 4.372 4.372 4.105 0.267 25959 1975 1 15 . 1 1 36 36 THR CA C 36 62.615 62.615 64.900 -2.285 25959 1976 1 15 . 1 1 36 36 THR CB C 36 69.567 69.567 68.748 0.819 25959 1977 1 15 . 1 1 36 36 THR H H 36 7.771 7.771 8.089 -0.318 25959 1978 1 15 . 1 1 37 37 SER HA H 37 4.535 4.535 4.362 0.173 25959 1979 1 15 . 1 1 37 37 SER CB C 37 64.134 64.134 63.852 0.282 25959 1980 1 15 . 1 1 37 37 SER H H 37 7.987 7.987 7.975 0.012 25959 1981 1 16 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.200 -0.026 25959 1982 1 16 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.669 0.854 25959 1983 1 16 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.051 0.017 25959 1984 1 16 . 1 1 2 2 ARG H H 2 8.868 8.868 8.481 0.387 25959 1985 1 16 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.267 0.016 25959 1986 1 16 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.289 0.599 25959 1987 1 16 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.087 0.280 25959 1988 1 16 . 1 1 3 3 TYR H H 3 8.358 8.358 8.492 -0.134 25959 1989 1 16 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.105 -0.353 25959 1990 1 16 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.254 -0.300 25959 1991 1 16 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.742 0.549 25959 1992 1 16 . 1 1 4 4 GLN H H 4 8.314 8.314 8.585 -0.271 25959 1993 1 16 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.479 -0.067 25959 1994 1 16 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.340 -0.306 25959 1995 1 16 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.902 -1.874 25959 1996 1 16 . 1 1 5 5 ASP H H 5 8.148 8.148 8.314 -0.166 25959 1997 1 16 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.118 0.068 25959 1998 1 16 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.632 -2.329 25959 1999 1 16 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.300 10.720 25959 2000 1 16 . 1 1 6 6 CYS H H 6 8.207 8.207 7.890 0.317 25959 2001 1 16 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.995 -0.292 25959 2002 1 16 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.359 0.112 25959 2003 1 16 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.820 1.298 25959 2004 1 16 . 1 1 7 7 LEU H H 7 8.427 8.427 8.360 0.067 25959 2005 1 16 . 1 1 8 8 SER HA H 8 4.207 4.207 4.010 0.197 25959 2006 1 16 . 1 1 8 8 SER CA C 8 61.942 61.942 62.064 -0.122 25959 2007 1 16 . 1 1 8 8 SER CB C 8 62.941 62.941 62.966 -0.025 25959 2008 1 16 . 1 1 8 8 SER H H 8 8.397 8.397 8.521 -0.124 25959 2009 1 16 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.944 0.201 25959 2010 1 16 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.903 -0.895 25959 2011 1 16 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.699 -1.770 25959 2012 1 16 . 1 1 9 9 GLU H H 9 8.121 8.121 8.051 0.070 25959 2013 1 16 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.055 0.198 25959 2014 1 16 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.760 -3.089 25959 2015 1 16 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.807 12.614 25959 2016 1 16 . 1 1 10 10 CYS H H 10 8.396 8.396 8.131 0.265 25959 2017 1 16 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.416 -0.293 25959 2018 1 16 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.820 0.281 25959 2019 1 16 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.721 0.004 25959 2020 1 16 . 1 1 11 11 ASN H H 11 8.710 8.710 8.477 0.233 25959 2021 1 16 . 1 1 12 12 SER HA H 12 4.211 4.211 4.295 -0.084 25959 2022 1 16 . 1 1 12 12 SER CA C 12 61.961 61.961 60.867 1.094 25959 2023 1 16 . 1 1 12 12 SER CB C 12 62.948 62.948 63.200 -0.252 25959 2024 1 16 . 1 1 12 12 SER H H 12 8.029 8.029 8.031 -0.002 25959 2025 1 16 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.351 -0.169 25959 2026 1 16 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.371 0.783 25959 2027 1 16 . 1 1 13 13 ARG CB C 13 30.091 30.091 31.100 -1.009 25959 2028 1 16 . 1 1 13 13 ARG H H 13 7.955 7.955 7.881 0.074 25959 2029 1 16 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.720 0.012 25959 2030 1 16 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.336 11.416 25959 2031 1 16 . 1 1 14 14 CYS H H 14 7.926 7.926 8.306 -0.380 25959 2032 1 16 . 1 1 15 15 THR HA H 15 4.117 4.117 4.076 0.041 25959 2033 1 16 . 1 1 15 15 THR CA C 15 64.667 64.667 64.537 0.130 25959 2034 1 16 . 1 1 15 15 THR CB C 15 69.599 69.599 68.558 1.041 25959 2035 1 16 . 1 1 15 15 THR H H 15 7.641 7.641 8.007 -0.366 25959 2036 1 16 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.415 0.013 25959 2037 1 16 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.099 -1.230 25959 2038 1 16 . 1 1 16 16 TYR H H 16 7.370 7.370 7.629 -0.259 25959 2039 1 16 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.138 0.049 25959 2040 1 16 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.547 0.974 25959 2041 1 16 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.986 1.835 25959 2042 1 16 . 1 1 17 17 ILE H H 17 7.385 7.385 7.528 -0.143 25959 2043 1 16 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.305 0.154 25959 2044 1 16 . 1 1 18 18 PRO CA C 18 64.517 64.517 62.971 1.546 25959 2045 1 16 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.723 -0.003 25959 2046 1 16 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.794 0.030 25959 2047 1 16 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.465 -1.674 25959 2048 1 16 . 1 1 19 19 ASP H H 19 7.527 7.527 7.465 0.062 25959 2049 1 16 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.103 0.103 25959 2050 1 16 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.135 -0.222 25959 2051 1 16 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.905 -0.287 25959 2052 1 16 . 1 1 20 20 TYR H H 20 8.858 8.858 9.107 -0.249 25959 2053 1 16 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.061 -0.097 25959 2054 1 16 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.759 -0.393 25959 2055 1 16 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.554 0.506 25959 2056 1 16 . 1 1 21 21 ALA H H 21 8.669 8.669 8.118 0.551 25959 2057 1 16 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.996 -0.075 25959 2058 1 16 . 1 1 22 22 GLY H H 22 8.106 8.106 8.499 -0.393 25959 2059 1 16 . 1 1 23 23 MET HA H 23 3.983 3.983 4.089 -0.106 25959 2060 1 16 . 1 1 23 23 MET CA C 23 60.246 60.246 58.369 1.877 25959 2061 1 16 . 1 1 23 23 MET CB C 23 31.953 31.953 32.511 -0.558 25959 2062 1 16 . 1 1 23 23 MET H H 23 8.406 8.406 8.107 0.299 25959 2063 1 16 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.854 -0.059 25959 2064 1 16 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.556 -0.789 25959 2065 1 16 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.209 -1.112 25959 2066 1 16 . 1 1 24 24 ARG H H 24 8.411 8.411 8.431 -0.020 25959 2067 1 16 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.116 0.017 25959 2068 1 16 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.990 -0.099 25959 2069 1 16 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.129 -0.069 25959 2070 1 16 . 1 1 25 25 ALA H H 25 8.004 8.004 8.269 -0.265 25959 2071 1 16 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.133 0.005 25959 2072 1 16 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.303 -2.143 25959 2073 1 16 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.525 8.682 25959 2074 1 16 . 1 1 26 26 CYS H H 26 7.761 7.761 7.889 -0.128 25959 2075 1 16 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.737 -0.012 25959 2076 1 16 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.841 0.347 25959 2077 1 16 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.552 0.680 25959 2078 1 16 . 1 1 27 27 ILE H H 27 8.363 8.363 8.625 -0.262 25959 2079 1 16 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.789 0.046 25959 2080 1 16 . 1 1 28 28 GLY H H 28 8.037 8.037 8.168 -0.131 25959 2081 1 16 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.665 -0.285 25959 2082 1 16 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.662 0.171 25959 2083 1 16 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.356 0.332 25959 2084 1 16 . 1 1 29 29 LEU H H 29 7.457 7.457 7.680 -0.223 25959 2085 1 16 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.981 0.516 25959 2086 1 16 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.520 12.948 25959 2087 1 16 . 1 1 30 30 CYS H H 30 7.869 7.869 8.332 -0.463 25959 2088 1 16 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.977 0.282 25959 2089 1 16 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.993 0.295 25959 2090 1 16 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.089 -0.520 25959 2091 1 16 . 1 1 31 31 ALA H H 31 8.506 8.506 7.941 0.565 25959 2092 1 16 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.052 0.322 25959 2093 1 16 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.103 -0.085 25959 2094 1 16 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.129 -0.484 25959 2095 1 16 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.187 0.054 25959 2096 1 16 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.943 -0.092 25959 2097 1 16 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.099 0.569 25959 2098 1 16 . 1 1 33 33 ALA H H 33 7.427 7.427 8.037 -0.610 25959 2099 1 16 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.072 0.725 25959 2100 1 16 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.003 13.516 25959 2101 1 16 . 1 1 34 34 CYS H H 34 8.137 8.137 8.100 0.037 25959 2102 1 16 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.018 0.281 25959 2103 1 16 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.700 -0.040 25959 2104 1 16 . 1 1 35 35 LEU CB C 35 42.671 42.671 40.763 1.908 25959 2105 1 16 . 1 1 35 35 LEU H H 35 7.968 7.968 8.797 -0.829 25959 2106 1 16 . 1 1 36 36 THR HA H 36 4.372 4.372 4.109 0.263 25959 2107 1 16 . 1 1 36 36 THR CA C 36 62.615 62.615 64.683 -2.068 25959 2108 1 16 . 1 1 36 36 THR CB C 36 69.567 69.567 69.081 0.486 25959 2109 1 16 . 1 1 36 36 THR H H 36 7.771 7.771 7.959 -0.188 25959 2110 1 16 . 1 1 37 37 SER HA H 37 4.535 4.535 4.402 0.133 25959 2111 1 16 . 1 1 37 37 SER CB C 37 64.134 64.134 64.048 0.086 25959 2112 1 16 . 1 1 37 37 SER H H 37 7.987 7.987 7.765 0.222 25959 2113 1 17 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.213 -0.039 25959 2114 1 17 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.341 1.182 25959 2115 1 17 . 1 1 2 2 ARG CB C 2 30.068 30.068 29.776 0.292 25959 2116 1 17 . 1 1 2 2 ARG H H 2 8.868 8.868 8.616 0.252 25959 2117 1 17 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.226 0.057 25959 2118 1 17 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.397 0.491 25959 2119 1 17 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.413 -0.046 25959 2120 1 17 . 1 1 3 3 TYR H H 3 8.358 8.358 8.581 -0.223 25959 2121 1 17 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.901 -0.149 25959 2122 1 17 . 1 1 4 4 GLN CA C 4 58.954 58.954 58.876 0.078 25959 2123 1 17 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.609 0.682 25959 2124 1 17 . 1 1 4 4 GLN H H 4 8.314 8.314 8.621 -0.307 25959 2125 1 17 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.380 0.032 25959 2126 1 17 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.594 -0.560 25959 2127 1 17 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.102 -2.074 25959 2128 1 17 . 1 1 5 5 ASP H H 5 8.148 8.148 8.266 -0.118 25959 2129 1 17 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.120 0.066 25959 2130 1 17 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.773 -2.470 25959 2131 1 17 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.332 10.688 25959 2132 1 17 . 1 1 6 6 CYS H H 6 8.207 8.207 7.889 0.318 25959 2133 1 17 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.833 -0.130 25959 2134 1 17 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.676 -0.205 25959 2135 1 17 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.730 0.388 25959 2136 1 17 . 1 1 7 7 LEU H H 7 8.427 8.427 8.224 0.203 25959 2137 1 17 . 1 1 8 8 SER HA H 8 4.207 4.207 4.031 0.176 25959 2138 1 17 . 1 1 8 8 SER CA C 8 61.942 61.942 61.861 0.081 25959 2139 1 17 . 1 1 8 8 SER CB C 8 62.941 62.941 62.862 0.079 25959 2140 1 17 . 1 1 8 8 SER H H 8 8.397 8.397 8.192 0.205 25959 2141 1 17 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.030 0.115 25959 2142 1 17 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.390 -0.382 25959 2143 1 17 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.406 -1.477 25959 2144 1 17 . 1 1 9 9 GLU H H 9 8.121 8.121 8.073 0.048 25959 2145 1 17 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.082 0.171 25959 2146 1 17 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.901 -3.230 25959 2147 1 17 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.552 11.869 25959 2148 1 17 . 1 1 10 10 CYS H H 10 8.396 8.396 8.225 0.171 25959 2149 1 17 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.360 -0.237 25959 2150 1 17 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.118 0.983 25959 2151 1 17 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.725 1.000 25959 2152 1 17 . 1 1 11 11 ASN H H 11 8.710 8.710 8.409 0.300 25959 2153 1 17 . 1 1 12 12 SER HA H 12 4.211 4.211 4.286 -0.075 25959 2154 1 17 . 1 1 12 12 SER CA C 12 61.961 61.961 60.804 1.157 25959 2155 1 17 . 1 1 12 12 SER CB C 12 62.948 62.948 62.926 0.022 25959 2156 1 17 . 1 1 12 12 SER H H 12 8.029 8.029 8.236 -0.207 25959 2157 1 17 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.342 -0.160 25959 2158 1 17 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.615 0.539 25959 2159 1 17 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.960 -0.870 25959 2160 1 17 . 1 1 13 13 ARG H H 13 7.955 7.955 7.738 0.217 25959 2161 1 17 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.610 0.122 25959 2162 1 17 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.853 11.899 25959 2163 1 17 . 1 1 14 14 CYS H H 14 7.926 7.926 8.278 -0.352 25959 2164 1 17 . 1 1 15 15 THR HA H 15 4.117 4.117 4.056 0.061 25959 2165 1 17 . 1 1 15 15 THR CA C 15 64.667 64.667 64.595 0.072 25959 2166 1 17 . 1 1 15 15 THR CB C 15 69.599 69.599 68.466 1.133 25959 2167 1 17 . 1 1 15 15 THR H H 15 7.641 7.641 8.138 -0.497 25959 2168 1 17 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.400 0.028 25959 2169 1 17 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.094 -1.225 25959 2170 1 17 . 1 1 16 16 TYR H H 16 7.370 7.370 7.449 -0.079 25959 2171 1 17 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.092 0.095 25959 2172 1 17 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.800 0.721 25959 2173 1 17 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.978 1.843 25959 2174 1 17 . 1 1 17 17 ILE H H 17 7.385 7.385 7.509 -0.124 25959 2175 1 17 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.238 0.221 25959 2176 1 17 . 1 1 18 18 PRO CA C 18 64.517 64.517 62.930 1.587 25959 2177 1 17 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.890 -0.170 25959 2178 1 17 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.906 -0.082 25959 2179 1 17 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.804 -2.013 25959 2180 1 17 . 1 1 19 19 ASP H H 19 7.527 7.527 7.504 0.023 25959 2181 1 17 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.006 0.200 25959 2182 1 17 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.936 -1.023 25959 2183 1 17 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.203 0.415 25959 2184 1 17 . 1 1 20 20 TYR H H 20 8.858 8.858 8.962 -0.104 25959 2185 1 17 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.096 -0.132 25959 2186 1 17 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.670 -0.304 25959 2187 1 17 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.495 0.565 25959 2188 1 17 . 1 1 21 21 ALA H H 21 8.669 8.669 8.558 0.111 25959 2189 1 17 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.115 -0.194 25959 2190 1 17 . 1 1 22 22 GLY H H 22 8.106 8.106 8.531 -0.425 25959 2191 1 17 . 1 1 23 23 MET HA H 23 3.983 3.983 4.197 -0.214 25959 2192 1 17 . 1 1 23 23 MET CA C 23 60.246 60.246 58.102 2.144 25959 2193 1 17 . 1 1 23 23 MET CB C 23 31.953 31.953 32.599 -0.646 25959 2194 1 17 . 1 1 23 23 MET H H 23 8.406 8.406 8.089 0.317 25959 2195 1 17 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.038 -0.243 25959 2196 1 17 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.662 -0.895 25959 2197 1 17 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.348 -1.250 25959 2198 1 17 . 1 1 24 24 ARG H H 24 8.411 8.411 8.468 -0.057 25959 2199 1 17 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.181 -0.048 25959 2200 1 17 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.079 -0.188 25959 2201 1 17 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.110 -0.050 25959 2202 1 17 . 1 1 25 25 ALA H H 25 8.004 8.004 8.643 -0.639 25959 2203 1 17 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.141 -0.003 25959 2204 1 17 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.552 -2.392 25959 2205 1 17 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.453 8.754 25959 2206 1 17 . 1 1 26 26 CYS H H 26 7.761 7.761 8.012 -0.251 25959 2207 1 17 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.940 -0.215 25959 2208 1 17 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.631 0.557 25959 2209 1 17 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.724 0.507 25959 2210 1 17 . 1 1 27 27 ILE H H 27 8.363 8.363 8.219 0.144 25959 2211 1 17 . 1 1 28 28 GLY CA C 28 46.835 46.835 47.141 -0.306 25959 2212 1 17 . 1 1 28 28 GLY H H 28 8.037 8.037 8.029 0.008 25959 2213 1 17 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.669 -0.289 25959 2214 1 17 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.653 0.180 25959 2215 1 17 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.873 -0.185 25959 2216 1 17 . 1 1 29 29 LEU H H 29 7.457 7.457 7.826 -0.369 25959 2217 1 17 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.042 0.455 25959 2218 1 17 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.598 12.870 25959 2219 1 17 . 1 1 30 30 CYS H H 30 7.869 7.869 8.290 -0.421 25959 2220 1 17 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.051 0.208 25959 2221 1 17 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.909 0.379 25959 2222 1 17 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.056 -0.487 25959 2223 1 17 . 1 1 31 31 ALA H H 31 8.506 8.506 7.888 0.618 25959 2224 1 17 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.107 0.267 25959 2225 1 17 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.118 -0.100 25959 2226 1 17 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.113 -0.468 25959 2227 1 17 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.072 0.169 25959 2228 1 17 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.359 -0.508 25959 2229 1 17 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.042 0.625 25959 2230 1 17 . 1 1 33 33 ALA H H 33 7.427 7.427 8.082 -0.655 25959 2231 1 17 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.258 0.539 25959 2232 1 17 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.948 13.572 25959 2233 1 17 . 1 1 34 34 CYS H H 34 8.137 8.137 8.020 0.117 25959 2234 1 17 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.214 0.085 25959 2235 1 17 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.894 -0.234 25959 2236 1 17 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.957 0.714 25959 2237 1 17 . 1 1 35 35 LEU H H 35 7.968 7.968 8.608 -0.640 25959 2238 1 17 . 1 1 36 36 THR HA H 36 4.372 4.372 4.184 0.188 25959 2239 1 17 . 1 1 36 36 THR CA C 36 62.615 62.615 64.273 -1.658 25959 2240 1 17 . 1 1 36 36 THR CB C 36 69.567 69.567 69.306 0.261 25959 2241 1 17 . 1 1 36 36 THR H H 36 7.771 7.771 7.945 -0.174 25959 2242 1 17 . 1 1 37 37 SER HA H 37 4.535 4.535 4.392 0.143 25959 2243 1 17 . 1 1 37 37 SER CB C 37 64.134 64.134 63.846 0.288 25959 2244 1 17 . 1 1 37 37 SER H H 37 7.987 7.987 8.024 -0.037 25959 2245 1 18 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.253 -0.079 25959 2246 1 18 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.554 0.968 25959 2247 1 18 . 1 1 2 2 ARG CB C 2 30.068 30.068 29.811 0.257 25959 2248 1 18 . 1 1 2 2 ARG H H 2 8.868 8.868 8.616 0.252 25959 2249 1 18 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.200 0.083 25959 2250 1 18 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.987 -0.099 25959 2251 1 18 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.093 0.275 25959 2252 1 18 . 1 1 3 3 TYR H H 3 8.358 8.358 8.617 -0.259 25959 2253 1 18 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.100 -0.348 25959 2254 1 18 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.011 -0.058 25959 2255 1 18 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.686 0.605 25959 2256 1 18 . 1 1 4 4 GLN H H 4 8.314 8.314 8.607 -0.293 25959 2257 1 18 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.389 0.023 25959 2258 1 18 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.822 -0.788 25959 2259 1 18 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.993 -1.965 25959 2260 1 18 . 1 1 5 5 ASP H H 5 8.148 8.148 8.065 0.083 25959 2261 1 18 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.098 0.088 25959 2262 1 18 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.863 -2.560 25959 2263 1 18 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.121 10.899 25959 2264 1 18 . 1 1 6 6 CYS H H 6 8.207 8.207 8.438 -0.231 25959 2265 1 18 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.878 -0.175 25959 2266 1 18 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.014 0.457 25959 2267 1 18 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.634 1.484 25959 2268 1 18 . 1 1 7 7 LEU H H 7 8.427 8.427 8.041 0.386 25959 2269 1 18 . 1 1 8 8 SER HA H 8 4.207 4.207 3.973 0.234 25959 2270 1 18 . 1 1 8 8 SER CA C 8 61.942 61.942 62.476 -0.534 25959 2271 1 18 . 1 1 8 8 SER CB C 8 62.941 62.941 62.922 0.020 25959 2272 1 18 . 1 1 8 8 SER H H 8 8.397 8.397 8.506 -0.109 25959 2273 1 18 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.063 0.082 25959 2274 1 18 . 1 1 9 9 GLU CA C 9 59.008 59.008 58.998 0.010 25959 2275 1 18 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.135 -1.206 25959 2276 1 18 . 1 1 9 9 GLU H H 9 8.121 8.121 7.992 0.129 25959 2277 1 18 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.144 0.109 25959 2278 1 18 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.074 -3.403 25959 2279 1 18 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.998 12.423 25959 2280 1 18 . 1 1 10 10 CYS H H 10 8.396 8.396 8.407 -0.011 25959 2281 1 18 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.464 -0.341 25959 2282 1 18 . 1 1 11 11 ASN CA C 11 57.101 57.101 55.765 1.336 25959 2283 1 18 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.752 0.973 25959 2284 1 18 . 1 1 11 11 ASN H H 11 8.710 8.710 8.349 0.361 25959 2285 1 18 . 1 1 12 12 SER HA H 12 4.211 4.211 4.217 -0.006 25959 2286 1 18 . 1 1 12 12 SER CA C 12 61.961 61.961 60.725 1.236 25959 2287 1 18 . 1 1 12 12 SER CB C 12 62.948 62.948 63.329 -0.381 25959 2288 1 18 . 1 1 12 12 SER H H 12 8.029 8.029 8.049 -0.020 25959 2289 1 18 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.468 -0.286 25959 2290 1 18 . 1 1 13 13 ARG CA C 13 59.154 59.154 57.771 1.383 25959 2291 1 18 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.818 -0.727 25959 2292 1 18 . 1 1 13 13 ARG H H 13 7.955 7.955 7.781 0.174 25959 2293 1 18 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.729 0.003 25959 2294 1 18 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.908 11.844 25959 2295 1 18 . 1 1 14 14 CYS H H 14 7.926 7.926 8.177 -0.251 25959 2296 1 18 . 1 1 15 15 THR HA H 15 4.117 4.117 4.088 0.029 25959 2297 1 18 . 1 1 15 15 THR CA C 15 64.667 64.667 64.032 0.635 25959 2298 1 18 . 1 1 15 15 THR CB C 15 69.599 69.599 68.391 1.208 25959 2299 1 18 . 1 1 15 15 THR H H 15 7.641 7.641 8.126 -0.485 25959 2300 1 18 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.438 -0.010 25959 2301 1 18 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.144 -1.275 25959 2302 1 18 . 1 1 16 16 TYR H H 16 7.370 7.370 7.539 -0.169 25959 2303 1 18 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.293 -0.106 25959 2304 1 18 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.170 0.351 25959 2305 1 18 . 1 1 17 17 ILE CB C 17 38.821 38.821 38.156 0.665 25959 2306 1 18 . 1 1 17 17 ILE H H 17 7.385 7.385 7.430 -0.045 25959 2307 1 18 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.437 0.022 25959 2308 1 18 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.443 1.074 25959 2309 1 18 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.960 -0.240 25959 2310 1 18 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.643 0.181 25959 2311 1 18 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.435 1.356 25959 2312 1 18 . 1 1 19 19 ASP H H 19 7.527 7.527 8.362 -0.835 25959 2313 1 18 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.978 0.228 25959 2314 1 18 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.810 -0.897 25959 2315 1 18 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.743 -0.125 25959 2316 1 18 . 1 1 20 20 TYR H H 20 8.858 8.858 8.905 -0.047 25959 2317 1 18 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.063 -0.099 25959 2318 1 18 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.666 -0.300 25959 2319 1 18 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.364 0.696 25959 2320 1 18 . 1 1 21 21 ALA H H 21 8.669 8.669 8.679 -0.010 25959 2321 1 18 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.033 -0.112 25959 2322 1 18 . 1 1 22 22 GLY H H 22 8.106 8.106 8.467 -0.361 25959 2323 1 18 . 1 1 23 23 MET HA H 23 3.983 3.983 4.094 -0.111 25959 2324 1 18 . 1 1 23 23 MET CA C 23 60.246 60.246 58.225 2.021 25959 2325 1 18 . 1 1 23 23 MET CB C 23 31.953 31.953 32.506 -0.553 25959 2326 1 18 . 1 1 23 23 MET H H 23 8.406 8.406 8.051 0.355 25959 2327 1 18 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.859 -0.064 25959 2328 1 18 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.518 -0.751 25959 2329 1 18 . 1 1 24 24 ARG CB C 24 29.097 29.097 29.901 -0.803 25959 2330 1 18 . 1 1 24 24 ARG H H 24 8.411 8.411 8.423 -0.012 25959 2331 1 18 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.091 0.042 25959 2332 1 18 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.955 -0.064 25959 2333 1 18 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.106 -0.046 25959 2334 1 18 . 1 1 25 25 ALA H H 25 8.004 8.004 8.496 -0.492 25959 2335 1 18 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.124 0.014 25959 2336 1 18 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.303 -2.143 25959 2337 1 18 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.545 8.662 25959 2338 1 18 . 1 1 26 26 CYS H H 26 7.761 7.761 7.882 -0.121 25959 2339 1 18 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.687 0.038 25959 2340 1 18 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.907 0.281 25959 2341 1 18 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.607 0.625 25959 2342 1 18 . 1 1 27 27 ILE H H 27 8.363 8.363 8.460 -0.097 25959 2343 1 18 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.421 0.414 25959 2344 1 18 . 1 1 28 28 GLY H H 28 8.037 8.037 8.075 -0.038 25959 2345 1 18 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.651 -0.271 25959 2346 1 18 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.371 0.462 25959 2347 1 18 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.614 0.074 25959 2348 1 18 . 1 1 29 29 LEU H H 29 7.457 7.457 7.571 -0.114 25959 2349 1 18 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.971 0.526 25959 2350 1 18 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.293 13.175 25959 2351 1 18 . 1 1 30 30 CYS H H 30 7.869 7.869 8.258 -0.389 25959 2352 1 18 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.903 0.356 25959 2353 1 18 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.839 0.449 25959 2354 1 18 . 1 1 31 31 ALA CB C 31 15.569 15.569 15.986 -0.416 25959 2355 1 18 . 1 1 31 31 ALA H H 31 8.506 8.506 8.270 0.236 25959 2356 1 18 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.067 0.307 25959 2357 1 18 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.266 -0.248 25959 2358 1 18 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.146 -0.501 25959 2359 1 18 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.039 0.202 25959 2360 1 18 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.220 -0.369 25959 2361 1 18 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.081 0.586 25959 2362 1 18 . 1 1 33 33 ALA H H 33 7.427 7.427 7.989 -0.562 25959 2363 1 18 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.255 0.542 25959 2364 1 18 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.427 14.092 25959 2365 1 18 . 1 1 34 34 CYS H H 34 8.137 8.137 8.026 0.111 25959 2366 1 18 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.146 0.153 25959 2367 1 18 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.681 -0.021 25959 2368 1 18 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.372 0.299 25959 2369 1 18 . 1 1 35 35 LEU H H 35 7.968 7.968 8.475 -0.506 25959 2370 1 18 . 1 1 36 36 THR HA H 36 4.372 4.372 4.057 0.315 25959 2371 1 18 . 1 1 36 36 THR CA C 36 62.615 62.615 65.475 -2.860 25959 2372 1 18 . 1 1 36 36 THR CB C 36 69.567 69.567 68.828 0.739 25959 2373 1 18 . 1 1 36 36 THR H H 36 7.771 7.771 8.061 -0.290 25959 2374 1 18 . 1 1 37 37 SER HA H 37 4.535 4.535 4.395 0.140 25959 2375 1 18 . 1 1 37 37 SER CB C 37 64.134 64.134 64.207 -0.073 25959 2376 1 18 . 1 1 37 37 SER H H 37 7.987 7.987 8.033 -0.046 25959 2377 1 19 . 1 1 2 2 ARG HA H 2 4.174 4.174 3.996 0.178 25959 2378 1 19 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.133 0.390 25959 2379 1 19 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.066 0.002 25959 2380 1 19 . 1 1 2 2 ARG H H 2 8.868 8.868 8.803 0.065 25959 2381 1 19 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.254 0.029 25959 2382 1 19 . 1 1 3 3 TYR CA C 3 61.888 61.888 60.784 1.104 25959 2383 1 19 . 1 1 3 3 TYR CB C 3 38.367 38.367 37.648 0.719 25959 2384 1 19 . 1 1 3 3 TYR H H 3 8.358 8.358 8.560 -0.202 25959 2385 1 19 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.928 -0.176 25959 2386 1 19 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.293 -0.339 25959 2387 1 19 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.799 0.492 25959 2388 1 19 . 1 1 4 4 GLN H H 4 8.314 8.314 8.368 -0.054 25959 2389 1 19 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.373 0.039 25959 2390 1 19 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.538 -0.504 25959 2391 1 19 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.885 -1.857 25959 2392 1 19 . 1 1 5 5 ASP H H 5 8.148 8.148 8.052 0.096 25959 2393 1 19 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.004 0.182 25959 2394 1 19 . 1 1 6 6 CYS CA C 6 60.303 60.303 63.738 -3.435 25959 2395 1 19 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.190 10.830 25959 2396 1 19 . 1 1 6 6 CYS H H 6 8.207 8.207 8.167 0.040 25959 2397 1 19 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.784 -0.081 25959 2398 1 19 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.936 0.535 25959 2399 1 19 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.180 0.938 25959 2400 1 19 . 1 1 7 7 LEU H H 7 8.427 8.427 8.088 0.339 25959 2401 1 19 . 1 1 8 8 SER HA H 8 4.207 4.207 4.000 0.207 25959 2402 1 19 . 1 1 8 8 SER CA C 8 61.942 61.942 62.546 -0.604 25959 2403 1 19 . 1 1 8 8 SER CB C 8 62.941 62.941 62.669 0.272 25959 2404 1 19 . 1 1 8 8 SER H H 8 8.397 8.397 8.216 0.181 25959 2405 1 19 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.014 0.131 25959 2406 1 19 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.423 -0.415 25959 2407 1 19 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.712 -1.783 25959 2408 1 19 . 1 1 9 9 GLU H H 9 8.121 8.121 7.953 0.168 25959 2409 1 19 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.080 0.173 25959 2410 1 19 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.876 -4.205 25959 2411 1 19 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.889 12.532 25959 2412 1 19 . 1 1 10 10 CYS H H 10 8.396 8.396 8.396 -0.000 25959 2413 1 19 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.432 -0.309 25959 2414 1 19 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.370 0.731 25959 2415 1 19 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.671 0.054 25959 2416 1 19 . 1 1 11 11 ASN H H 11 8.710 8.710 8.376 0.334 25959 2417 1 19 . 1 1 12 12 SER HA H 12 4.211 4.211 4.212 -0.001 25959 2418 1 19 . 1 1 12 12 SER CA C 12 61.961 61.961 60.651 1.310 25959 2419 1 19 . 1 1 12 12 SER CB C 12 62.948 62.948 63.131 -0.183 25959 2420 1 19 . 1 1 12 12 SER H H 12 8.029 8.029 8.008 0.021 25959 2421 1 19 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.337 -0.155 25959 2422 1 19 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.804 0.350 25959 2423 1 19 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.805 -0.714 25959 2424 1 19 . 1 1 13 13 ARG H H 13 7.955 7.955 7.859 0.096 25959 2425 1 19 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.815 -0.083 25959 2426 1 19 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.869 11.883 25959 2427 1 19 . 1 1 14 14 CYS H H 14 7.926 7.926 8.257 -0.331 25959 2428 1 19 . 1 1 15 15 THR HA H 15 4.117 4.117 4.105 0.012 25959 2429 1 19 . 1 1 15 15 THR CA C 15 64.667 64.667 64.411 0.256 25959 2430 1 19 . 1 1 15 15 THR CB C 15 69.599 69.599 68.280 1.319 25959 2431 1 19 . 1 1 15 15 THR H H 15 7.641 7.641 8.194 -0.553 25959 2432 1 19 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.364 0.064 25959 2433 1 19 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.061 -1.192 25959 2434 1 19 . 1 1 16 16 TYR H H 16 7.370 7.370 7.550 -0.180 25959 2435 1 19 . 1 1 17 17 ILE HA H 17 4.187 4.187 3.992 0.195 25959 2436 1 19 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.280 1.241 25959 2437 1 19 . 1 1 17 17 ILE CB C 17 38.821 38.821 36.608 2.213 25959 2438 1 19 . 1 1 17 17 ILE H H 17 7.385 7.385 7.603 -0.218 25959 2439 1 19 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.314 0.145 25959 2440 1 19 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.603 0.914 25959 2441 1 19 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.143 -0.423 25959 2442 1 19 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.410 0.414 25959 2443 1 19 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.440 0.351 25959 2444 1 19 . 1 1 19 19 ASP H H 19 7.527 7.527 8.082 -0.555 25959 2445 1 19 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.154 0.052 25959 2446 1 19 . 1 1 20 20 TYR CA C 20 61.913 61.913 59.955 1.958 25959 2447 1 19 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.326 1.292 25959 2448 1 19 . 1 1 20 20 TYR H H 20 8.858 8.858 8.379 0.479 25959 2449 1 19 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.118 -0.154 25959 2450 1 19 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.215 0.151 25959 2451 1 19 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.631 0.429 25959 2452 1 19 . 1 1 21 21 ALA H H 21 8.669 8.669 7.366 1.303 25959 2453 1 19 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.148 -0.227 25959 2454 1 19 . 1 1 22 22 GLY H H 22 8.106 8.106 7.932 0.174 25959 2455 1 19 . 1 1 23 23 MET HA H 23 3.983 3.983 4.172 -0.189 25959 2456 1 19 . 1 1 23 23 MET CA C 23 60.246 60.246 58.419 1.827 25959 2457 1 19 . 1 1 23 23 MET CB C 23 31.953 31.953 32.576 -0.623 25959 2458 1 19 . 1 1 23 23 MET H H 23 8.406 8.406 8.138 0.268 25959 2459 1 19 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.025 -0.230 25959 2460 1 19 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.578 -0.811 25959 2461 1 19 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.238 -1.141 25959 2462 1 19 . 1 1 24 24 ARG H H 24 8.411 8.411 8.013 0.398 25959 2463 1 19 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.118 0.015 25959 2464 1 19 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.008 -0.117 25959 2465 1 19 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.163 -0.103 25959 2466 1 19 . 1 1 25 25 ALA H H 25 8.004 8.004 8.547 -0.543 25959 2467 1 19 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.136 0.002 25959 2468 1 19 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.391 -2.231 25959 2469 1 19 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.542 8.665 25959 2470 1 19 . 1 1 26 26 CYS H H 26 7.761 7.761 7.965 -0.203 25959 2471 1 19 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.744 -0.019 25959 2472 1 19 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.586 0.602 25959 2473 1 19 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.602 0.630 25959 2474 1 19 . 1 1 27 27 ILE H H 27 8.363 8.363 8.198 0.165 25959 2475 1 19 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.237 0.598 25959 2476 1 19 . 1 1 28 28 GLY H H 28 8.037 8.037 7.956 0.081 25959 2477 1 19 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.630 -0.250 25959 2478 1 19 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.954 -0.121 25959 2479 1 19 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.617 0.070 25959 2480 1 19 . 1 1 29 29 LEU H H 29 7.457 7.457 7.593 -0.136 25959 2481 1 19 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.020 0.477 25959 2482 1 19 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.403 13.065 25959 2483 1 19 . 1 1 30 30 CYS H H 30 7.869 7.869 8.281 -0.412 25959 2484 1 19 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.912 0.347 25959 2485 1 19 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.866 0.422 25959 2486 1 19 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.088 -0.519 25959 2487 1 19 . 1 1 31 31 ALA H H 31 8.506 8.506 8.271 0.235 25959 2488 1 19 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.139 0.235 25959 2489 1 19 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.197 -0.179 25959 2490 1 19 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.187 -0.542 25959 2491 1 19 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.275 -0.034 25959 2492 1 19 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.906 -0.054 25959 2493 1 19 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.166 0.500 25959 2494 1 19 . 1 1 33 33 ALA H H 33 7.427 7.427 8.025 -0.598 25959 2495 1 19 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.203 0.594 25959 2496 1 19 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.892 13.627 25959 2497 1 19 . 1 1 34 34 CYS H H 34 8.137 8.137 8.194 -0.057 25959 2498 1 19 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.313 -0.014 25959 2499 1 19 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.609 0.051 25959 2500 1 19 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.531 0.140 25959 2501 1 19 . 1 1 35 35 LEU H H 35 7.968 7.968 8.795 -0.827 25959 2502 1 19 . 1 1 36 36 THR HA H 36 4.372 4.372 4.091 0.281 25959 2503 1 19 . 1 1 36 36 THR CA C 36 62.615 62.615 64.612 -1.997 25959 2504 1 19 . 1 1 36 36 THR CB C 36 69.567 69.567 69.008 0.559 25959 2505 1 19 . 1 1 36 36 THR H H 36 7.771 7.771 8.137 -0.366 25959 2506 1 19 . 1 1 37 37 SER HA H 37 4.535 4.535 4.397 0.138 25959 2507 1 19 . 1 1 37 37 SER CB C 37 64.134 64.134 64.149 -0.015 25959 2508 1 19 . 1 1 37 37 SER H H 37 7.987 7.987 7.961 0.026 25959 2509 1 20 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.085 0.089 25959 2510 1 20 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.011 0.512 25959 2511 1 20 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.226 -0.158 25959 2512 1 20 . 1 1 2 2 ARG H H 2 8.868 8.868 8.783 0.085 25959 2513 1 20 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.196 0.087 25959 2514 1 20 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.642 0.246 25959 2515 1 20 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.310 0.056 25959 2516 1 20 . 1 1 3 3 TYR H H 3 8.358 8.358 8.458 -0.100 25959 2517 1 20 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.051 -0.299 25959 2518 1 20 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.340 -0.386 25959 2519 1 20 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.788 0.503 25959 2520 1 20 . 1 1 4 4 GLN H H 4 8.314 8.314 8.609 -0.295 25959 2521 1 20 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.468 -0.056 25959 2522 1 20 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.029 0.005 25959 2523 1 20 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.004 -1.976 25959 2524 1 20 . 1 1 5 5 ASP H H 5 8.148 8.148 8.172 -0.024 25959 2525 1 20 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.180 0.006 25959 2526 1 20 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.761 -2.458 25959 2527 1 20 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.520 10.501 25959 2528 1 20 . 1 1 6 6 CYS H H 6 8.207 8.207 8.073 0.134 25959 2529 1 20 . 1 1 7 7 LEU HA H 7 3.703 3.703 4.044 -0.341 25959 2530 1 20 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.388 1.083 25959 2531 1 20 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.242 1.876 25959 2532 1 20 . 1 1 7 7 LEU H H 7 8.427 8.427 8.326 0.101 25959 2533 1 20 . 1 1 8 8 SER HA H 8 4.207 4.207 4.034 0.173 25959 2534 1 20 . 1 1 8 8 SER CA C 8 61.942 61.942 62.167 -0.225 25959 2535 1 20 . 1 1 8 8 SER CB C 8 62.941 62.941 63.235 -0.294 25959 2536 1 20 . 1 1 8 8 SER H H 8 8.397 8.397 8.447 -0.050 25959 2537 1 20 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.972 0.173 25959 2538 1 20 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.526 -0.518 25959 2539 1 20 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.609 -1.680 25959 2540 1 20 . 1 1 9 9 GLU H H 9 8.121 8.121 7.969 0.152 25959 2541 1 20 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.088 0.165 25959 2542 1 20 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.038 -3.367 25959 2543 1 20 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.399 12.022 25959 2544 1 20 . 1 1 10 10 CYS H H 10 8.396 8.396 8.207 0.189 25959 2545 1 20 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.391 -0.268 25959 2546 1 20 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.152 0.949 25959 2547 1 20 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.864 0.861 25959 2548 1 20 . 1 1 11 11 ASN H H 11 8.710 8.710 8.559 0.151 25959 2549 1 20 . 1 1 12 12 SER HA H 12 4.211 4.211 4.281 -0.070 25959 2550 1 20 . 1 1 12 12 SER CA C 12 61.961 61.961 60.986 0.975 25959 2551 1 20 . 1 1 12 12 SER CB C 12 62.948 62.948 62.962 -0.014 25959 2552 1 20 . 1 1 12 12 SER H H 12 8.029 8.029 8.056 -0.027 25959 2553 1 20 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.134 0.048 25959 2554 1 20 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.753 0.401 25959 2555 1 20 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.649 -0.558 25959 2556 1 20 . 1 1 13 13 ARG H H 13 7.955 7.955 7.879 0.076 25959 2557 1 20 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.713 0.019 25959 2558 1 20 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.854 11.899 25959 2559 1 20 . 1 1 14 14 CYS H H 14 7.926 7.926 8.495 -0.569 25959 2560 1 20 . 1 1 15 15 THR HA H 15 4.117 4.117 4.184 -0.067 25959 2561 1 20 . 1 1 15 15 THR CA C 15 64.667 64.667 63.805 0.862 25959 2562 1 20 . 1 1 15 15 THR CB C 15 69.599 69.599 68.415 1.184 25959 2563 1 20 . 1 1 15 15 THR H H 15 7.641 7.641 8.091 -0.450 25959 2564 1 20 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.458 -0.030 25959 2565 1 20 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.740 -0.871 25959 2566 1 20 . 1 1 16 16 TYR H H 16 7.370 7.370 7.553 -0.183 25959 2567 1 20 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.142 0.045 25959 2568 1 20 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.700 0.821 25959 2569 1 20 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.286 1.535 25959 2570 1 20 . 1 1 17 17 ILE H H 17 7.385 7.385 7.461 -0.076 25959 2571 1 20 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.253 0.206 25959 2572 1 20 . 1 1 18 18 PRO CA C 18 64.517 64.517 62.858 1.659 25959 2573 1 20 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.778 -0.058 25959 2574 1 20 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.803 0.021 25959 2575 1 20 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.385 -1.594 25959 2576 1 20 . 1 1 19 19 ASP H H 19 7.527 7.527 7.459 0.068 25959 2577 1 20 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.151 0.055 25959 2578 1 20 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.229 -0.316 25959 2579 1 20 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.076 0.542 25959 2580 1 20 . 1 1 20 20 TYR H H 20 8.858 8.858 8.906 -0.048 25959 2581 1 20 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.192 -0.228 25959 2582 1 20 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.417 -0.051 25959 2583 1 20 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.735 0.325 25959 2584 1 20 . 1 1 21 21 ALA H H 21 8.669 8.669 8.431 0.238 25959 2585 1 20 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.783 0.138 25959 2586 1 20 . 1 1 22 22 GLY H H 22 8.106 8.106 7.931 0.175 25959 2587 1 20 . 1 1 23 23 MET HA H 23 3.983 3.983 4.169 -0.186 25959 2588 1 20 . 1 1 23 23 MET CA C 23 60.246 60.246 58.492 1.754 25959 2589 1 20 . 1 1 23 23 MET CB C 23 31.953 31.953 32.648 -0.695 25959 2590 1 20 . 1 1 23 23 MET H H 23 8.406 8.406 8.268 0.138 25959 2591 1 20 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.008 -0.213 25959 2592 1 20 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.645 -0.878 25959 2593 1 20 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.090 -0.993 25959 2594 1 20 . 1 1 24 24 ARG H H 24 8.411 8.411 8.333 0.078 25959 2595 1 20 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.156 -0.023 25959 2596 1 20 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.965 -0.074 25959 2597 1 20 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.110 -0.050 25959 2598 1 20 . 1 1 25 25 ALA H H 25 8.004 8.004 8.317 -0.313 25959 2599 1 20 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.175 -0.037 25959 2600 1 20 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.213 -2.053 25959 2601 1 20 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.649 8.558 25959 2602 1 20 . 1 1 26 26 CYS H H 26 7.761 7.761 7.811 -0.050 25959 2603 1 20 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.785 -0.060 25959 2604 1 20 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.939 0.249 25959 2605 1 20 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.629 0.603 25959 2606 1 20 . 1 1 27 27 ILE H H 27 8.363 8.363 8.542 -0.179 25959 2607 1 20 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.696 0.139 25959 2608 1 20 . 1 1 28 28 GLY H H 28 8.037 8.037 8.107 -0.070 25959 2609 1 20 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.615 -0.235 25959 2610 1 20 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.687 0.146 25959 2611 1 20 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.706 -0.018 25959 2612 1 20 . 1 1 29 29 LEU H H 29 7.457 7.457 7.630 -0.173 25959 2613 1 20 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.997 0.500 25959 2614 1 20 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.612 12.856 25959 2615 1 20 . 1 1 30 30 CYS H H 30 7.869 7.869 8.241 -0.372 25959 2616 1 20 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.919 0.340 25959 2617 1 20 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.812 0.476 25959 2618 1 20 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.062 -0.493 25959 2619 1 20 . 1 1 31 31 ALA H H 31 8.506 8.506 7.953 0.553 25959 2620 1 20 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.101 0.273 25959 2621 1 20 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.148 -0.130 25959 2622 1 20 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.155 -0.510 25959 2623 1 20 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.232 0.009 25959 2624 1 20 . 1 1 33 33 ALA CA C 33 54.851 54.851 54.840 0.011 25959 2625 1 20 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.093 0.574 25959 2626 1 20 . 1 1 33 33 ALA H H 33 7.427 7.427 8.108 -0.681 25959 2627 1 20 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.372 0.425 25959 2628 1 20 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.026 13.493 25959 2629 1 20 . 1 1 34 34 CYS H H 34 8.137 8.137 7.951 0.186 25959 2630 1 20 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.320 -0.021 25959 2631 1 20 . 1 1 35 35 LEU CA C 35 57.660 57.660 58.067 -0.407 25959 2632 1 20 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.864 0.807 25959 2633 1 20 . 1 1 35 35 LEU H H 35 7.968 7.968 8.608 -0.640 25959 2634 1 20 . 1 1 36 36 THR HA H 36 4.372 4.372 4.218 0.154 25959 2635 1 20 . 1 1 36 36 THR CA C 36 62.615 62.615 64.309 -1.694 25959 2636 1 20 . 1 1 36 36 THR CB C 36 69.567 69.567 69.239 0.328 25959 2637 1 20 . 1 1 36 36 THR H H 36 7.771 7.771 7.987 -0.216 25959 2638 1 20 . 1 1 37 37 SER HA H 37 4.535 4.535 4.308 0.227 25959 2639 1 20 . 1 1 37 37 SER CB C 37 64.134 64.134 63.898 0.236 25959 2640 1 20 . 1 1 37 37 SER H H 37 7.987 7.987 7.872 0.115 25959 2641 1 21 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.020 0.154 25959 2642 1 21 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.182 0.341 25959 2643 1 21 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.267 -0.199 25959 2644 1 21 . 1 1 2 2 ARG H H 2 8.868 8.868 8.772 0.096 25959 2645 1 21 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.122 0.161 25959 2646 1 21 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.833 0.055 25959 2647 1 21 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.338 0.029 25959 2648 1 21 . 1 1 3 3 TYR H H 3 8.358 8.358 8.351 0.007 25959 2649 1 21 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.933 -0.181 25959 2650 1 21 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.169 -0.215 25959 2651 1 21 . 1 1 4 4 GLN CB C 4 28.291 28.291 28.159 0.132 25959 2652 1 21 . 1 1 4 4 GLN H H 4 8.314 8.314 9.011 -0.697 25959 2653 1 21 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.415 -0.003 25959 2654 1 21 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.604 -0.570 25959 2655 1 21 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.945 -1.917 25959 2656 1 21 . 1 1 5 5 ASP H H 5 8.148 8.148 8.266 -0.118 25959 2657 1 21 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.047 0.139 25959 2658 1 21 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.589 -2.286 25959 2659 1 21 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.064 10.957 25959 2660 1 21 . 1 1 6 6 CYS H H 6 8.207 8.207 7.963 0.244 25959 2661 1 21 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.750 -0.047 25959 2662 1 21 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.728 -0.257 25959 2663 1 21 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.709 0.409 25959 2664 1 21 . 1 1 7 7 LEU H H 7 8.427 8.427 8.127 0.300 25959 2665 1 21 . 1 1 8 8 SER HA H 8 4.207 4.207 3.988 0.219 25959 2666 1 21 . 1 1 8 8 SER CA C 8 61.942 61.942 61.948 -0.006 25959 2667 1 21 . 1 1 8 8 SER CB C 8 62.941 62.941 62.885 0.056 25959 2668 1 21 . 1 1 8 8 SER H H 8 8.397 8.397 8.438 -0.041 25959 2669 1 21 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.970 0.175 25959 2670 1 21 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.949 -0.941 25959 2671 1 21 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.522 -1.593 25959 2672 1 21 . 1 1 9 9 GLU H H 9 8.121 8.121 8.343 -0.222 25959 2673 1 21 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.140 0.113 25959 2674 1 21 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.524 -2.853 25959 2675 1 21 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.796 12.625 25959 2676 1 21 . 1 1 10 10 CYS H H 10 8.396 8.396 8.282 0.114 25959 2677 1 21 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.472 -0.349 25959 2678 1 21 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.115 0.986 25959 2679 1 21 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.682 0.043 25959 2680 1 21 . 1 1 11 11 ASN H H 11 8.710 8.710 8.284 0.426 25959 2681 1 21 . 1 1 12 12 SER HA H 12 4.211 4.211 4.346 -0.135 25959 2682 1 21 . 1 1 12 12 SER CA C 12 61.961 61.961 61.149 0.812 25959 2683 1 21 . 1 1 12 12 SER CB C 12 62.948 62.948 63.487 -0.539 25959 2684 1 21 . 1 1 12 12 SER H H 12 8.029 8.029 8.321 -0.292 25959 2685 1 21 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.398 -0.216 25959 2686 1 21 . 1 1 13 13 ARG CA C 13 59.154 59.154 57.304 1.850 25959 2687 1 21 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.197 -0.106 25959 2688 1 21 . 1 1 13 13 ARG H H 13 7.955 7.955 8.228 -0.273 25959 2689 1 21 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.696 0.036 25959 2690 1 21 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.349 11.403 25959 2691 1 21 . 1 1 14 14 CYS H H 14 7.926 7.926 8.038 -0.112 25959 2692 1 21 . 1 1 15 15 THR HA H 15 4.117 4.117 4.117 -0.000 25959 2693 1 21 . 1 1 15 15 THR CA C 15 64.667 64.667 63.853 0.814 25959 2694 1 21 . 1 1 15 15 THR CB C 15 69.599 69.599 68.323 1.276 25959 2695 1 21 . 1 1 15 15 THR H H 15 7.641 7.641 8.121 -0.480 25959 2696 1 21 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.370 0.058 25959 2697 1 21 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.911 -1.042 25959 2698 1 21 . 1 1 16 16 TYR H H 16 7.370 7.370 7.584 -0.214 25959 2699 1 21 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.095 0.092 25959 2700 1 21 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.862 -0.341 25959 2701 1 21 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.799 1.022 25959 2702 1 21 . 1 1 17 17 ILE H H 17 7.385 7.385 7.474 -0.089 25959 2703 1 21 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.349 0.110 25959 2704 1 21 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.422 1.095 25959 2705 1 21 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.911 -0.191 25959 2706 1 21 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.645 0.179 25959 2707 1 21 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.853 0.938 25959 2708 1 21 . 1 1 19 19 ASP H H 19 7.527 7.527 8.232 -0.705 25959 2709 1 21 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.014 0.192 25959 2710 1 21 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.522 -0.609 25959 2711 1 21 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.518 0.100 25959 2712 1 21 . 1 1 20 20 TYR H H 20 8.858 8.858 8.923 -0.065 25959 2713 1 21 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.040 -0.076 25959 2714 1 21 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.650 -0.284 25959 2715 1 21 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.427 0.633 25959 2716 1 21 . 1 1 21 21 ALA H H 21 8.669 8.669 8.667 0.002 25959 2717 1 21 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.016 -0.095 25959 2718 1 21 . 1 1 22 22 GLY H H 22 8.106 8.106 8.542 -0.436 25959 2719 1 21 . 1 1 23 23 MET HA H 23 3.983 3.983 4.102 -0.119 25959 2720 1 21 . 1 1 23 23 MET CA C 23 60.246 60.246 58.450 1.796 25959 2721 1 21 . 1 1 23 23 MET CB C 23 31.953 31.953 32.464 -0.511 25959 2722 1 21 . 1 1 23 23 MET H H 23 8.406 8.406 7.998 0.408 25959 2723 1 21 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.798 -0.003 25959 2724 1 21 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.870 -1.103 25959 2725 1 21 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.021 -0.924 25959 2726 1 21 . 1 1 24 24 ARG H H 24 8.411 8.411 8.122 0.289 25959 2727 1 21 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.064 0.069 25959 2728 1 21 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.062 -0.171 25959 2729 1 21 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.054 0.006 25959 2730 1 21 . 1 1 25 25 ALA H H 25 8.004 8.004 8.036 -0.032 25959 2731 1 21 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.078 0.060 25959 2732 1 21 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.473 -2.313 25959 2733 1 21 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.370 8.837 25959 2734 1 21 . 1 1 26 26 CYS H H 26 7.761 7.761 7.973 -0.212 25959 2735 1 21 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.596 0.129 25959 2736 1 21 . 1 1 27 27 ILE CA C 27 65.188 65.188 65.268 -0.080 25959 2737 1 21 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.504 0.728 25959 2738 1 21 . 1 1 27 27 ILE H H 27 8.363 8.363 8.484 -0.121 25959 2739 1 21 . 1 1 28 28 GLY CA C 28 46.835 46.835 47.132 -0.297 25959 2740 1 21 . 1 1 28 28 GLY H H 28 8.037 8.037 7.969 0.068 25959 2741 1 21 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.548 -0.168 25959 2742 1 21 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.562 0.271 25959 2743 1 21 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.093 0.596 25959 2744 1 21 . 1 1 29 29 LEU H H 29 7.457 7.457 7.868 -0.411 25959 2745 1 21 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.984 0.513 25959 2746 1 21 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.325 13.143 25959 2747 1 21 . 1 1 30 30 CYS H H 30 7.869 7.869 8.242 -0.373 25959 2748 1 21 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.050 0.209 25959 2749 1 21 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.816 0.472 25959 2750 1 21 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.136 -0.567 25959 2751 1 21 . 1 1 31 31 ALA H H 31 8.506 8.506 7.845 0.661 25959 2752 1 21 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.061 0.313 25959 2753 1 21 . 1 1 32 32 PRO CA C 32 66.018 66.018 65.935 0.083 25959 2754 1 21 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.105 -0.460 25959 2755 1 21 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.033 0.208 25959 2756 1 21 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.136 -0.285 25959 2757 1 21 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.114 0.552 25959 2758 1 21 . 1 1 33 33 ALA H H 33 7.427 7.427 8.097 -0.670 25959 2759 1 21 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.189 0.608 25959 2760 1 21 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.018 13.501 25959 2761 1 21 . 1 1 34 34 CYS H H 34 8.137 8.137 7.984 0.153 25959 2762 1 21 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.031 0.268 25959 2763 1 21 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.986 -0.326 25959 2764 1 21 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.704 0.967 25959 2765 1 21 . 1 1 35 35 LEU H H 35 7.968 7.968 8.703 -0.735 25959 2766 1 21 . 1 1 36 36 THR HA H 36 4.372 4.372 4.215 0.157 25959 2767 1 21 . 1 1 36 36 THR CA C 36 62.615 62.615 65.452 -2.837 25959 2768 1 21 . 1 1 36 36 THR CB C 36 69.567 69.567 68.915 0.652 25959 2769 1 21 . 1 1 36 36 THR H H 36 7.771 7.771 8.188 -0.417 25959 2770 1 21 . 1 1 37 37 SER HA H 37 4.535 4.535 4.436 0.099 25959 2771 1 21 . 1 1 37 37 SER CB C 37 64.134 64.134 63.939 0.195 25959 2772 1 21 . 1 1 37 37 SER H H 37 7.987 7.987 7.872 0.115 25959 2773 1 22 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.096 0.078 25959 2774 1 22 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.085 0.438 25959 2775 1 22 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.133 -0.065 25959 2776 1 22 . 1 1 2 2 ARG H H 2 8.868 8.868 8.765 0.103 25959 2777 1 22 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.259 0.024 25959 2778 1 22 . 1 1 3 3 TYR CA C 3 61.888 61.888 60.925 0.963 25959 2779 1 22 . 1 1 3 3 TYR CB C 3 38.367 38.367 37.983 0.384 25959 2780 1 22 . 1 1 3 3 TYR H H 3 8.358 8.358 8.508 -0.150 25959 2781 1 22 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.737 0.015 25959 2782 1 22 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.455 -0.501 25959 2783 1 22 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.797 0.494 25959 2784 1 22 . 1 1 4 4 GLN H H 4 8.314 8.314 8.532 -0.218 25959 2785 1 22 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.409 0.003 25959 2786 1 22 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.287 -0.253 25959 2787 1 22 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.938 -1.910 25959 2788 1 22 . 1 1 5 5 ASP H H 5 8.148 8.148 8.136 0.012 25959 2789 1 22 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.216 -0.030 25959 2790 1 22 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.807 -2.504 25959 2791 1 22 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.420 10.600 25959 2792 1 22 . 1 1 6 6 CYS H H 6 8.207 8.207 8.150 0.057 25959 2793 1 22 . 1 1 7 7 LEU HA H 7 3.703 3.703 4.018 -0.315 25959 2794 1 22 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.729 0.742 25959 2795 1 22 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.723 1.395 25959 2796 1 22 . 1 1 7 7 LEU H H 7 8.427 8.427 8.085 0.342 25959 2797 1 22 . 1 1 8 8 SER HA H 8 4.207 4.207 3.969 0.238 25959 2798 1 22 . 1 1 8 8 SER CA C 8 61.942 61.942 62.243 -0.301 25959 2799 1 22 . 1 1 8 8 SER CB C 8 62.941 62.941 62.779 0.162 25959 2800 1 22 . 1 1 8 8 SER H H 8 8.397 8.397 8.377 0.020 25959 2801 1 22 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.019 0.126 25959 2802 1 22 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.367 -0.359 25959 2803 1 22 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.484 -1.555 25959 2804 1 22 . 1 1 9 9 GLU H H 9 8.121 8.121 7.950 0.171 25959 2805 1 22 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.136 0.117 25959 2806 1 22 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.848 -3.177 25959 2807 1 22 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.665 11.756 25959 2808 1 22 . 1 1 10 10 CYS H H 10 8.396 8.396 8.202 0.194 25959 2809 1 22 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.359 -0.236 25959 2810 1 22 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.283 0.818 25959 2811 1 22 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.738 0.987 25959 2812 1 22 . 1 1 11 11 ASN H H 11 8.710 8.710 8.712 -0.002 25959 2813 1 22 . 1 1 12 12 SER HA H 12 4.211 4.211 4.217 -0.006 25959 2814 1 22 . 1 1 12 12 SER CA C 12 61.961 61.961 60.540 1.421 25959 2815 1 22 . 1 1 12 12 SER CB C 12 62.948 62.948 63.342 -0.394 25959 2816 1 22 . 1 1 12 12 SER H H 12 8.029 8.029 8.296 -0.267 25959 2817 1 22 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.350 -0.168 25959 2818 1 22 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.006 1.148 25959 2819 1 22 . 1 1 13 13 ARG CB C 13 30.091 30.091 31.033 -0.942 25959 2820 1 22 . 1 1 13 13 ARG H H 13 7.955 7.955 7.795 0.160 25959 2821 1 22 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.657 0.075 25959 2822 1 22 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.263 11.489 25959 2823 1 22 . 1 1 14 14 CYS H H 14 7.926 7.926 8.401 -0.475 25959 2824 1 22 . 1 1 15 15 THR HA H 15 4.117 4.117 4.088 0.029 25959 2825 1 22 . 1 1 15 15 THR CA C 15 64.667 64.667 64.489 0.178 25959 2826 1 22 . 1 1 15 15 THR CB C 15 69.599 69.599 68.459 1.140 25959 2827 1 22 . 1 1 15 15 THR H H 15 7.641 7.641 8.158 -0.517 25959 2828 1 22 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.432 -0.004 25959 2829 1 22 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.039 -1.170 25959 2830 1 22 . 1 1 16 16 TYR H H 16 7.370 7.370 7.521 -0.151 25959 2831 1 22 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.187 0.000 25959 2832 1 22 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.819 -0.298 25959 2833 1 22 . 1 1 17 17 ILE CB C 17 38.821 38.821 38.151 0.670 25959 2834 1 22 . 1 1 17 17 ILE H H 17 7.385 7.385 7.408 -0.023 25959 2835 1 22 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.409 0.050 25959 2836 1 22 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.684 0.833 25959 2837 1 22 . 1 1 18 18 PRO CB C 18 31.720 31.720 32.136 -0.417 25959 2838 1 22 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.732 0.092 25959 2839 1 22 . 1 1 19 19 ASP CB C 19 41.791 41.791 40.388 1.403 25959 2840 1 22 . 1 1 19 19 ASP H H 19 7.527 7.527 8.517 -0.990 25959 2841 1 22 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.984 0.222 25959 2842 1 22 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.461 -0.548 25959 2843 1 22 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.194 0.424 25959 2844 1 22 . 1 1 20 20 TYR H H 20 8.858 8.858 9.075 -0.217 25959 2845 1 22 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.103 -0.139 25959 2846 1 22 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.501 -0.135 25959 2847 1 22 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.388 0.672 25959 2848 1 22 . 1 1 21 21 ALA H H 21 8.669 8.669 8.635 0.034 25959 2849 1 22 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.669 0.252 25959 2850 1 22 . 1 1 22 22 GLY H H 22 8.106 8.106 8.444 -0.338 25959 2851 1 22 . 1 1 23 23 MET HA H 23 3.983 3.983 4.098 -0.115 25959 2852 1 22 . 1 1 23 23 MET CA C 23 60.246 60.246 58.465 1.780 25959 2853 1 22 . 1 1 23 23 MET CB C 23 31.953 31.953 32.663 -0.710 25959 2854 1 22 . 1 1 23 23 MET H H 23 8.406 8.406 8.369 0.037 25959 2855 1 22 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.944 -0.149 25959 2856 1 22 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.876 -1.109 25959 2857 1 22 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.179 -1.082 25959 2858 1 22 . 1 1 24 24 ARG H H 24 8.411 8.411 8.764 -0.353 25959 2859 1 22 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.125 0.008 25959 2860 1 22 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.946 -0.055 25959 2861 1 22 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.023 0.036 25959 2862 1 22 . 1 1 25 25 ALA H H 25 8.004 8.004 8.126 -0.122 25959 2863 1 22 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.217 -0.079 25959 2864 1 22 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.111 -1.951 25959 2865 1 22 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.751 8.456 25959 2866 1 22 . 1 1 26 26 CYS H H 26 7.761 7.761 7.808 -0.047 25959 2867 1 22 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.740 -0.015 25959 2868 1 22 . 1 1 27 27 ILE CA C 27 65.188 65.188 65.005 0.183 25959 2869 1 22 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.559 0.672 25959 2870 1 22 . 1 1 27 27 ILE H H 27 8.363 8.363 8.491 -0.128 25959 2871 1 22 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.576 0.259 25959 2872 1 22 . 1 1 28 28 GLY H H 28 8.037 8.037 7.939 0.098 25959 2873 1 22 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.305 0.075 25959 2874 1 22 . 1 1 29 29 LEU CA C 29 55.833 55.833 56.385 -0.552 25959 2875 1 22 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.201 0.487 25959 2876 1 22 . 1 1 29 29 LEU H H 29 7.457 7.457 7.859 -0.402 25959 2877 1 22 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.028 0.469 25959 2878 1 22 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.523 12.945 25959 2879 1 22 . 1 1 30 30 CYS H H 30 7.869 7.869 8.261 -0.392 25959 2880 1 22 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.100 0.159 25959 2881 1 22 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.968 0.320 25959 2882 1 22 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.166 -0.597 25959 2883 1 22 . 1 1 31 31 ALA H H 31 8.506 8.506 8.034 0.472 25959 2884 1 22 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.110 0.264 25959 2885 1 22 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.010 0.008 25959 2886 1 22 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.146 -0.501 25959 2887 1 22 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.074 0.167 25959 2888 1 22 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.246 -0.395 25959 2889 1 22 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.161 0.506 25959 2890 1 22 . 1 1 33 33 ALA H H 33 7.427 7.427 8.018 -0.591 25959 2891 1 22 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.316 0.481 25959 2892 1 22 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.421 14.098 25959 2893 1 22 . 1 1 34 34 CYS H H 34 8.137 8.137 8.394 -0.257 25959 2894 1 22 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.058 0.241 25959 2895 1 22 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.932 -0.272 25959 2896 1 22 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.937 0.734 25959 2897 1 22 . 1 1 35 35 LEU H H 35 7.968 7.968 8.868 -0.900 25959 2898 1 22 . 1 1 36 36 THR HA H 36 4.372 4.372 4.121 0.251 25959 2899 1 22 . 1 1 36 36 THR CA C 36 62.615 62.615 65.724 -3.109 25959 2900 1 22 . 1 1 36 36 THR CB C 36 69.567 69.567 68.904 0.663 25959 2901 1 22 . 1 1 36 36 THR H H 36 7.771 7.771 8.134 -0.363 25959 2902 1 22 . 1 1 37 37 SER HA H 37 4.535 4.535 4.384 0.151 25959 2903 1 22 . 1 1 37 37 SER CB C 37 64.134 64.134 64.040 0.094 25959 2904 1 22 . 1 1 37 37 SER H H 37 7.987 7.987 8.110 -0.123 25959 2905 1 23 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.026 0.148 25959 2906 1 23 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.644 -0.121 25959 2907 1 23 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.186 -0.117 25959 2908 1 23 . 1 1 2 2 ARG H H 2 8.868 8.868 8.680 0.188 25959 2909 1 23 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.193 0.090 25959 2910 1 23 . 1 1 3 3 TYR CA C 3 61.888 61.888 62.141 -0.253 25959 2911 1 23 . 1 1 3 3 TYR CB C 3 38.367 38.367 37.970 0.397 25959 2912 1 23 . 1 1 3 3 TYR H H 3 8.358 8.358 8.570 -0.212 25959 2913 1 23 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.985 -0.233 25959 2914 1 23 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.360 -0.406 25959 2915 1 23 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.709 0.582 25959 2916 1 23 . 1 1 4 4 GLN H H 4 8.314 8.314 8.561 -0.247 25959 2917 1 23 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.440 -0.028 25959 2918 1 23 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.244 -0.210 25959 2919 1 23 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.883 -1.855 25959 2920 1 23 . 1 1 5 5 ASP H H 5 8.148 8.148 8.507 -0.359 25959 2921 1 23 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.065 0.121 25959 2922 1 23 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.540 -2.237 25959 2923 1 23 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.297 10.723 25959 2924 1 23 . 1 1 6 6 CYS H H 6 8.207 8.207 8.053 0.154 25959 2925 1 23 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.758 -0.055 25959 2926 1 23 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.299 0.172 25959 2927 1 23 . 1 1 7 7 LEU CB C 7 42.118 42.118 42.025 0.093 25959 2928 1 23 . 1 1 7 7 LEU H H 7 8.427 8.427 7.968 0.459 25959 2929 1 23 . 1 1 8 8 SER HA H 8 4.207 4.207 3.998 0.209 25959 2930 1 23 . 1 1 8 8 SER CA C 8 61.942 61.942 62.407 -0.465 25959 2931 1 23 . 1 1 8 8 SER CB C 8 62.941 62.941 62.778 0.163 25959 2932 1 23 . 1 1 8 8 SER H H 8 8.397 8.397 8.468 -0.071 25959 2933 1 23 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.011 0.134 25959 2934 1 23 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.354 -0.346 25959 2935 1 23 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.688 -1.759 25959 2936 1 23 . 1 1 9 9 GLU H H 9 8.121 8.121 7.970 0.151 25959 2937 1 23 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.063 0.190 25959 2938 1 23 . 1 1 10 10 CYS CA C 10 59.671 59.671 63.365 -3.694 25959 2939 1 23 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.486 11.935 25959 2940 1 23 . 1 1 10 10 CYS H H 10 8.396 8.396 8.323 0.073 25959 2941 1 23 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.402 -0.279 25959 2942 1 23 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.176 0.925 25959 2943 1 23 . 1 1 11 11 ASN CB C 11 38.725 38.725 37.773 0.952 25959 2944 1 23 . 1 1 11 11 ASN H H 11 8.710 8.710 8.297 0.413 25959 2945 1 23 . 1 1 12 12 SER HA H 12 4.211 4.211 4.277 -0.066 25959 2946 1 23 . 1 1 12 12 SER CA C 12 61.961 61.961 61.008 0.953 25959 2947 1 23 . 1 1 12 12 SER CB C 12 62.948 62.948 62.860 0.088 25959 2948 1 23 . 1 1 12 12 SER H H 12 8.029 8.029 8.566 -0.537 25959 2949 1 23 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.289 -0.107 25959 2950 1 23 . 1 1 13 13 ARG CA C 13 59.154 59.154 57.979 1.175 25959 2951 1 23 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.287 -0.196 25959 2952 1 23 . 1 1 13 13 ARG H H 13 7.955 7.955 7.927 0.028 25959 2953 1 23 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.498 0.234 25959 2954 1 23 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.739 12.013 25959 2955 1 23 . 1 1 14 14 CYS H H 14 7.926 7.926 8.324 -0.398 25959 2956 1 23 . 1 1 15 15 THR HA H 15 4.117 4.117 4.111 0.006 25959 2957 1 23 . 1 1 15 15 THR CA C 15 64.667 64.667 64.606 0.061 25959 2958 1 23 . 1 1 15 15 THR CB C 15 69.599 69.599 68.743 0.856 25959 2959 1 23 . 1 1 15 15 THR H H 15 7.641 7.641 8.252 -0.611 25959 2960 1 23 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.358 0.070 25959 2961 1 23 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.950 -1.081 25959 2962 1 23 . 1 1 16 16 TYR H H 16 7.370 7.370 7.475 -0.105 25959 2963 1 23 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.007 0.180 25959 2964 1 23 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.879 -0.358 25959 2965 1 23 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.801 1.020 25959 2966 1 23 . 1 1 17 17 ILE H H 17 7.385 7.385 7.555 -0.170 25959 2967 1 23 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.170 0.289 25959 2968 1 23 . 1 1 18 18 PRO CA C 18 64.517 64.517 62.982 1.535 25959 2969 1 23 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.608 0.112 25959 2970 1 23 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.694 0.130 25959 2971 1 23 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.583 -1.792 25959 2972 1 23 . 1 1 19 19 ASP H H 19 7.527 7.527 7.555 -0.028 25959 2973 1 23 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.050 0.156 25959 2974 1 23 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.490 0.423 25959 2975 1 23 . 1 1 20 20 TYR CB C 20 38.618 38.618 38.246 0.372 25959 2976 1 23 . 1 1 20 20 TYR H H 20 8.858 8.858 8.521 0.337 25959 2977 1 23 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.067 -0.103 25959 2978 1 23 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.353 0.013 25959 2979 1 23 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.967 0.093 25959 2980 1 23 . 1 1 21 21 ALA H H 21 8.669 8.669 8.185 0.484 25959 2981 1 23 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.000 -0.079 25959 2982 1 23 . 1 1 22 22 GLY H H 22 8.106 8.106 8.444 -0.338 25959 2983 1 23 . 1 1 23 23 MET HA H 23 3.983 3.983 4.132 -0.149 25959 2984 1 23 . 1 1 23 23 MET CA C 23 60.246 60.246 58.506 1.740 25959 2985 1 23 . 1 1 23 23 MET CB C 23 31.953 31.953 32.674 -0.721 25959 2986 1 23 . 1 1 23 23 MET H H 23 8.406 8.406 8.151 0.255 25959 2987 1 23 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.959 -0.164 25959 2988 1 23 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.811 -1.044 25959 2989 1 23 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.255 -1.158 25959 2990 1 23 . 1 1 24 24 ARG H H 24 8.411 8.411 8.597 -0.186 25959 2991 1 23 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.115 0.018 25959 2992 1 23 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.083 -0.192 25959 2993 1 23 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.093 -0.033 25959 2994 1 23 . 1 1 25 25 ALA H H 25 8.004 8.004 8.067 -0.063 25959 2995 1 23 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.122 0.016 25959 2996 1 23 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.544 -2.384 25959 2997 1 23 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.454 8.753 25959 2998 1 23 . 1 1 26 26 CYS H H 26 7.761 7.761 7.998 -0.237 25959 2999 1 23 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.908 -0.183 25959 3000 1 23 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.770 0.418 25959 3001 1 23 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.557 0.675 25959 3002 1 23 . 1 1 27 27 ILE H H 27 8.363 8.363 8.645 -0.282 25959 3003 1 23 . 1 1 28 28 GLY CA C 28 46.835 46.835 47.050 -0.215 25959 3004 1 23 . 1 1 28 28 GLY H H 28 8.037 8.037 7.991 0.046 25959 3005 1 23 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.641 -0.261 25959 3006 1 23 . 1 1 29 29 LEU CA C 29 55.833 55.833 56.003 -0.170 25959 3007 1 23 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.938 -0.250 25959 3008 1 23 . 1 1 29 29 LEU H H 29 7.457 7.457 7.724 -0.267 25959 3009 1 23 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.010 0.487 25959 3010 1 23 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.571 12.897 25959 3011 1 23 . 1 1 30 30 CYS H H 30 7.869 7.869 8.529 -0.660 25959 3012 1 23 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.980 0.279 25959 3013 1 23 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.924 0.364 25959 3014 1 23 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.066 -0.497 25959 3015 1 23 . 1 1 31 31 ALA H H 31 8.506 8.506 7.903 0.603 25959 3016 1 23 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.033 0.341 25959 3017 1 23 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.070 -0.052 25959 3018 1 23 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.088 -0.443 25959 3019 1 23 . 1 1 33 33 ALA HA H 33 4.241 4.241 3.998 0.243 25959 3020 1 23 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.304 -0.453 25959 3021 1 23 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.108 0.559 25959 3022 1 23 . 1 1 33 33 ALA H H 33 7.427 7.427 7.918 -0.491 25959 3023 1 23 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.095 0.702 25959 3024 1 23 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.581 13.938 25959 3025 1 23 . 1 1 34 34 CYS H H 34 8.137 8.137 7.892 0.245 25959 3026 1 23 . 1 1 35 35 LEU HA H 35 4.299 4.299 3.842 0.457 25959 3027 1 23 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.882 -0.222 25959 3028 1 23 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.189 0.482 25959 3029 1 23 . 1 1 35 35 LEU H H 35 7.968 7.968 8.389 -0.421 25959 3030 1 23 . 1 1 36 36 THR HA H 36 4.372 4.372 4.232 0.140 25959 3031 1 23 . 1 1 36 36 THR CA C 36 62.615 62.615 64.872 -2.257 25959 3032 1 23 . 1 1 36 36 THR CB C 36 69.567 69.567 68.881 0.686 25959 3033 1 23 . 1 1 36 36 THR H H 36 7.771 7.771 7.957 -0.186 25959 3034 1 23 . 1 1 37 37 SER HA H 37 4.535 4.535 4.432 0.103 25959 3035 1 23 . 1 1 37 37 SER CB C 37 64.134 64.134 63.814 0.320 25959 3036 1 23 . 1 1 37 37 SER H H 37 7.987 7.987 7.786 0.201 25959 3037 1 24 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.111 0.063 25959 3038 1 24 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.197 0.326 25959 3039 1 24 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.144 -0.076 25959 3040 1 24 . 1 1 2 2 ARG H H 2 8.868 8.868 8.691 0.177 25959 3041 1 24 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.129 0.154 25959 3042 1 24 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.963 -0.075 25959 3043 1 24 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.218 0.149 25959 3044 1 24 . 1 1 3 3 TYR H H 3 8.358 8.358 8.540 -0.182 25959 3045 1 24 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.943 -0.191 25959 3046 1 24 . 1 1 4 4 GLN CA C 4 58.954 58.954 58.810 0.144 25959 3047 1 24 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.463 0.828 25959 3048 1 24 . 1 1 4 4 GLN H H 4 8.314 8.314 8.639 -0.325 25959 3049 1 24 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.483 -0.071 25959 3050 1 24 . 1 1 5 5 ASP CA C 5 57.034 57.034 56.924 0.110 25959 3051 1 24 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.888 -1.860 25959 3052 1 24 . 1 1 5 5 ASP H H 5 8.148 8.148 8.268 -0.120 25959 3053 1 24 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.080 0.106 25959 3054 1 24 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.633 -2.330 25959 3055 1 24 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.280 10.740 25959 3056 1 24 . 1 1 6 6 CYS H H 6 8.207 8.207 8.284 -0.077 25959 3057 1 24 . 1 1 7 7 LEU HA H 7 3.703 3.703 4.032 -0.329 25959 3058 1 24 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.941 0.530 25959 3059 1 24 . 1 1 7 7 LEU CB C 7 42.118 42.118 40.501 1.617 25959 3060 1 24 . 1 1 7 7 LEU H H 7 8.427 8.427 8.244 0.183 25959 3061 1 24 . 1 1 8 8 SER HA H 8 4.207 4.207 3.970 0.237 25959 3062 1 24 . 1 1 8 8 SER CA C 8 61.942 61.942 61.971 -0.029 25959 3063 1 24 . 1 1 8 8 SER CB C 8 62.941 62.941 63.004 -0.063 25959 3064 1 24 . 1 1 8 8 SER H H 8 8.397 8.397 8.162 0.235 25959 3065 1 24 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.036 0.109 25959 3066 1 24 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.223 -0.215 25959 3067 1 24 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.712 -1.783 25959 3068 1 24 . 1 1 9 9 GLU H H 9 8.121 8.121 8.137 -0.016 25959 3069 1 24 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.002 0.251 25959 3070 1 24 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.471 -2.800 25959 3071 1 24 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.803 12.618 25959 3072 1 24 . 1 1 10 10 CYS H H 10 8.396 8.396 8.088 0.308 25959 3073 1 24 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.359 -0.236 25959 3074 1 24 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.930 0.171 25959 3075 1 24 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.415 0.310 25959 3076 1 24 . 1 1 11 11 ASN H H 11 8.710 8.710 8.633 0.077 25959 3077 1 24 . 1 1 12 12 SER HA H 12 4.211 4.211 4.221 -0.010 25959 3078 1 24 . 1 1 12 12 SER CA C 12 61.961 61.961 61.100 0.861 25959 3079 1 24 . 1 1 12 12 SER CB C 12 62.948 62.948 63.270 -0.322 25959 3080 1 24 . 1 1 12 12 SER H H 12 8.029 8.029 8.086 -0.057 25959 3081 1 24 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.233 -0.051 25959 3082 1 24 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.190 0.964 25959 3083 1 24 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.991 -0.901 25959 3084 1 24 . 1 1 13 13 ARG H H 13 7.955 7.955 7.710 0.245 25959 3085 1 24 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.710 0.022 25959 3086 1 24 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.630 12.123 25959 3087 1 24 . 1 1 14 14 CYS H H 14 7.926 7.926 8.674 -0.748 25959 3088 1 24 . 1 1 15 15 THR HA H 15 4.117 4.117 4.113 0.004 25959 3089 1 24 . 1 1 15 15 THR CA C 15 64.667 64.667 63.772 0.895 25959 3090 1 24 . 1 1 15 15 THR CB C 15 69.599 69.599 68.231 1.368 25959 3091 1 24 . 1 1 15 15 THR H H 15 7.641 7.641 8.103 -0.462 25959 3092 1 24 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.395 0.033 25959 3093 1 24 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.974 -1.105 25959 3094 1 24 . 1 1 16 16 TYR H H 16 7.370 7.370 7.494 -0.124 25959 3095 1 24 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.288 -0.101 25959 3096 1 24 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.499 1.022 25959 3097 1 24 . 1 1 17 17 ILE CB C 17 38.821 38.821 38.176 0.645 25959 3098 1 24 . 1 1 17 17 ILE H H 17 7.385 7.385 7.505 -0.120 25959 3099 1 24 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.157 0.302 25959 3100 1 24 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.259 1.258 25959 3101 1 24 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.867 -0.147 25959 3102 1 24 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.519 0.305 25959 3103 1 24 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.863 -0.072 25959 3104 1 24 . 1 1 19 19 ASP H H 19 7.527 7.527 7.535 -0.008 25959 3105 1 24 . 1 1 20 20 TYR HA H 20 4.206 4.206 3.987 0.219 25959 3106 1 24 . 1 1 20 20 TYR CA C 20 61.913 61.913 62.045 -0.132 25959 3107 1 24 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.782 0.836 25959 3108 1 24 . 1 1 20 20 TYR H H 20 8.858 8.858 8.662 0.196 25959 3109 1 24 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.179 -0.215 25959 3110 1 24 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.447 -0.081 25959 3111 1 24 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.471 0.589 25959 3112 1 24 . 1 1 21 21 ALA H H 21 8.669 8.669 8.561 0.108 25959 3113 1 24 . 1 1 22 22 GLY CA C 22 46.921 46.921 47.007 -0.086 25959 3114 1 24 . 1 1 22 22 GLY H H 22 8.106 8.106 8.559 -0.453 25959 3115 1 24 . 1 1 23 23 MET HA H 23 3.983 3.983 4.132 -0.149 25959 3116 1 24 . 1 1 23 23 MET CA C 23 60.246 60.246 59.348 0.898 25959 3117 1 24 . 1 1 23 23 MET CB C 23 31.953 31.953 32.673 -0.720 25959 3118 1 24 . 1 1 23 23 MET H H 23 8.406 8.406 8.180 0.226 25959 3119 1 24 . 1 1 24 24 ARG HA H 24 3.795 3.795 4.021 -0.226 25959 3120 1 24 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.609 -0.842 25959 3121 1 24 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.369 -1.272 25959 3122 1 24 . 1 1 24 24 ARG H H 24 8.411 8.411 8.276 0.135 25959 3123 1 24 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.138 -0.005 25959 3124 1 24 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.949 -0.058 25959 3125 1 24 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.230 -0.170 25959 3126 1 24 . 1 1 25 25 ALA H H 25 8.004 8.004 8.076 -0.072 25959 3127 1 24 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.144 -0.006 25959 3128 1 24 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.620 -2.460 25959 3129 1 24 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.529 8.678 25959 3130 1 24 . 1 1 26 26 CYS H H 26 7.761 7.761 8.315 -0.554 25959 3131 1 24 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.928 -0.203 25959 3132 1 24 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.287 0.901 25959 3133 1 24 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.670 0.561 25959 3134 1 24 . 1 1 27 27 ILE H H 27 8.363 8.363 8.426 -0.063 25959 3135 1 24 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.456 0.379 25959 3136 1 24 . 1 1 28 28 GLY H H 28 8.037 8.037 7.885 0.152 25959 3137 1 24 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.709 -0.329 25959 3138 1 24 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.796 0.037 25959 3139 1 24 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.993 -0.305 25959 3140 1 24 . 1 1 29 29 LEU H H 29 7.457 7.457 7.625 -0.168 25959 3141 1 24 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.181 0.316 25959 3142 1 24 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.709 12.759 25959 3143 1 24 . 1 1 30 30 CYS H H 30 7.869 7.869 8.487 -0.618 25959 3144 1 24 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.116 0.143 25959 3145 1 24 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.096 1.192 25959 3146 1 24 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.135 -0.566 25959 3147 1 24 . 1 1 31 31 ALA H H 31 8.506 8.506 7.974 0.532 25959 3148 1 24 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.127 0.247 25959 3149 1 24 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.064 -0.046 25959 3150 1 24 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.200 -0.555 25959 3151 1 24 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.059 0.182 25959 3152 1 24 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.231 -0.380 25959 3153 1 24 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.182 0.485 25959 3154 1 24 . 1 1 33 33 ALA H H 33 7.427 7.427 7.931 -0.504 25959 3155 1 24 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.254 0.543 25959 3156 1 24 . 1 1 34 34 CYS CB C 34 39.519 39.519 26.412 13.107 25959 3157 1 24 . 1 1 34 34 CYS H H 34 8.137 8.137 7.892 0.245 25959 3158 1 24 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.278 0.021 25959 3159 1 24 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.828 -0.168 25959 3160 1 24 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.312 1.359 25959 3161 1 24 . 1 1 35 35 LEU H H 35 7.968 7.968 8.647 -0.679 25959 3162 1 24 . 1 1 36 36 THR HA H 36 4.372 4.372 4.218 0.154 25959 3163 1 24 . 1 1 36 36 THR CA C 36 62.615 62.615 64.943 -2.328 25959 3164 1 24 . 1 1 36 36 THR CB C 36 69.567 69.567 69.101 0.466 25959 3165 1 24 . 1 1 36 36 THR H H 36 7.771 7.771 7.986 -0.215 25959 3166 1 24 . 1 1 37 37 SER HA H 37 4.535 4.535 4.532 0.003 25959 3167 1 24 . 1 1 37 37 SER CB C 37 64.134 64.134 64.364 -0.230 25959 3168 1 24 . 1 1 37 37 SER H H 37 7.987 7.987 8.022 -0.035 25959 3169 1 25 . 1 1 2 2 ARG HA H 2 4.174 4.174 4.241 -0.067 25959 3170 1 25 . 1 1 2 2 ARG CA C 2 59.523 59.523 58.544 0.979 25959 3171 1 25 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.233 -0.164 25959 3172 1 25 . 1 1 2 2 ARG H H 2 8.868 8.868 8.411 0.457 25959 3173 1 25 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.222 0.061 25959 3174 1 25 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.756 0.132 25959 3175 1 25 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.022 0.345 25959 3176 1 25 . 1 1 3 3 TYR H H 3 8.358 8.358 8.523 -0.165 25959 3177 1 25 . 1 1 4 4 GLN HA H 4 3.752 3.752 4.137 -0.385 25959 3178 1 25 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.183 -0.229 25959 3179 1 25 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.653 0.638 25959 3180 1 25 . 1 1 4 4 GLN H H 4 8.314 8.314 8.710 -0.396 25959 3181 1 25 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.476 -0.064 25959 3182 1 25 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.723 -0.689 25959 3183 1 25 . 1 1 5 5 ASP CB C 5 39.028 39.028 41.099 -2.071 25959 3184 1 25 . 1 1 5 5 ASP H H 5 8.148 8.148 8.317 -0.169 25959 3185 1 25 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.077 0.109 25959 3186 1 25 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.451 -2.148 25959 3187 1 25 . 1 1 6 6 CYS CB C 6 37.020 37.020 25.914 11.106 25959 3188 1 25 . 1 1 6 6 CYS H H 6 8.207 8.207 8.315 -0.108 25959 3189 1 25 . 1 1 7 7 LEU HA H 7 3.703 3.703 4.031 -0.328 25959 3190 1 25 . 1 1 7 7 LEU CA C 7 58.471 58.471 57.851 0.620 25959 3191 1 25 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.209 0.909 25959 3192 1 25 . 1 1 7 7 LEU H H 7 8.427 8.427 8.312 0.115 25959 3193 1 25 . 1 1 8 8 SER HA H 8 4.207 4.207 4.048 0.159 25959 3194 1 25 . 1 1 8 8 SER CA C 8 61.942 61.942 62.106 -0.164 25959 3195 1 25 . 1 1 8 8 SER CB C 8 62.941 62.941 62.451 0.490 25959 3196 1 25 . 1 1 8 8 SER H H 8 8.397 8.397 8.405 -0.008 25959 3197 1 25 . 1 1 9 9 GLU HA H 9 4.145 4.145 4.099 0.046 25959 3198 1 25 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.395 -0.387 25959 3199 1 25 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.709 -1.780 25959 3200 1 25 . 1 1 9 9 GLU H H 9 8.121 8.121 8.363 -0.242 25959 3201 1 25 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.103 0.150 25959 3202 1 25 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.624 -2.953 25959 3203 1 25 . 1 1 10 10 CYS CB C 10 38.421 38.421 25.578 12.843 25959 3204 1 25 . 1 1 10 10 CYS H H 10 8.396 8.396 8.113 0.283 25959 3205 1 25 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.465 -0.342 25959 3206 1 25 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.596 0.505 25959 3207 1 25 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.373 0.352 25959 3208 1 25 . 1 1 11 11 ASN H H 11 8.710 8.710 8.705 0.005 25959 3209 1 25 . 1 1 12 12 SER HA H 12 4.211 4.211 4.290 -0.079 25959 3210 1 25 . 1 1 12 12 SER CA C 12 61.961 61.961 60.568 1.393 25959 3211 1 25 . 1 1 12 12 SER CB C 12 62.948 62.948 63.122 -0.174 25959 3212 1 25 . 1 1 12 12 SER H H 12 8.029 8.029 8.069 -0.040 25959 3213 1 25 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.355 -0.173 25959 3214 1 25 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.710 0.444 25959 3215 1 25 . 1 1 13 13 ARG CB C 13 30.091 30.091 31.017 -0.926 25959 3216 1 25 . 1 1 13 13 ARG H H 13 7.955 7.955 7.853 0.102 25959 3217 1 25 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.684 0.048 25959 3218 1 25 . 1 1 14 14 CYS CB C 14 37.752 37.752 25.596 12.156 25959 3219 1 25 . 1 1 14 14 CYS H H 14 7.926 7.926 8.488 -0.562 25959 3220 1 25 . 1 1 15 15 THR HA H 15 4.117 4.117 4.130 -0.013 25959 3221 1 25 . 1 1 15 15 THR CA C 15 64.667 64.667 64.355 0.312 25959 3222 1 25 . 1 1 15 15 THR CB C 15 69.599 69.599 68.739 0.860 25959 3223 1 25 . 1 1 15 15 THR H H 15 7.641 7.641 8.097 -0.456 25959 3224 1 25 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.418 0.010 25959 3225 1 25 . 1 1 16 16 TYR CB C 16 37.869 37.869 39.022 -1.153 25959 3226 1 25 . 1 1 16 16 TYR H H 16 7.370 7.370 7.523 -0.153 25959 3227 1 25 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.092 0.095 25959 3228 1 25 . 1 1 17 17 ILE CA C 17 59.521 59.521 58.806 0.715 25959 3229 1 25 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.118 1.703 25959 3230 1 25 . 1 1 17 17 ILE H H 17 7.385 7.385 7.563 -0.178 25959 3231 1 25 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.296 0.163 25959 3232 1 25 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.032 1.485 25959 3233 1 25 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.862 -0.142 25959 3234 1 25 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.688 0.136 25959 3235 1 25 . 1 1 19 19 ASP CB C 19 41.791 41.791 43.651 -1.860 25959 3236 1 25 . 1 1 19 19 ASP H H 19 7.527 7.527 7.510 0.017 25959 3237 1 25 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.085 0.121 25959 3238 1 25 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.407 0.506 25959 3239 1 25 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.322 1.296 25959 3240 1 25 . 1 1 20 20 TYR H H 20 8.858 8.858 8.517 0.341 25959 3241 1 25 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.051 -0.087 25959 3242 1 25 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.098 0.268 25959 3243 1 25 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.785 0.275 25959 3244 1 25 . 1 1 21 21 ALA H H 21 8.669 8.669 7.769 0.900 25959 3245 1 25 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.995 -0.073 25959 3246 1 25 . 1 1 22 22 GLY H H 22 8.106 8.106 8.258 -0.151 25959 3247 1 25 . 1 1 23 23 MET HA H 23 3.983 3.983 4.072 -0.089 25959 3248 1 25 . 1 1 23 23 MET CA C 23 60.246 60.246 58.980 1.266 25959 3249 1 25 . 1 1 23 23 MET CB C 23 31.953 31.953 32.586 -0.633 25959 3250 1 25 . 1 1 23 23 MET H H 23 8.406 8.406 8.356 0.050 25959 3251 1 25 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.963 -0.168 25959 3252 1 25 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.829 -1.062 25959 3253 1 25 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.225 -1.128 25959 3254 1 25 . 1 1 24 24 ARG H H 24 8.411 8.411 8.617 -0.206 25959 3255 1 25 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.113 0.020 25959 3256 1 25 . 1 1 25 25 ALA CA C 25 54.891 54.891 54.999 -0.108 25959 3257 1 25 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.156 -0.096 25959 3258 1 25 . 1 1 25 25 ALA H H 25 8.004 8.004 8.106 -0.102 25959 3259 1 25 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.125 0.013 25959 3260 1 25 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.473 -2.313 25959 3261 1 25 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.553 8.654 25959 3262 1 25 . 1 1 26 26 CYS H H 26 7.761 7.761 8.314 -0.553 25959 3263 1 25 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.748 -0.023 25959 3264 1 25 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.806 0.382 25959 3265 1 25 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.556 0.676 25959 3266 1 25 . 1 1 27 27 ILE H H 27 8.363 8.363 8.646 -0.283 25959 3267 1 25 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.750 0.085 25959 3268 1 25 . 1 1 28 28 GLY H H 28 8.037 8.037 8.177 -0.140 25959 3269 1 25 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.679 -0.299 25959 3270 1 25 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.457 0.376 25959 3271 1 25 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.713 -0.025 25959 3272 1 25 . 1 1 29 29 LEU H H 29 7.457 7.457 7.642 -0.185 25959 3273 1 25 . 1 1 30 30 CYS HA H 30 4.497 4.497 3.967 0.530 25959 3274 1 25 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.289 13.179 25959 3275 1 25 . 1 1 30 30 CYS H H 30 7.869 7.869 8.246 -0.377 25959 3276 1 25 . 1 1 31 31 ALA HA H 31 4.259 4.259 3.832 0.427 25959 3277 1 25 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.918 0.370 25959 3278 1 25 . 1 1 31 31 ALA CB C 31 15.569 15.569 15.975 -0.406 25959 3279 1 25 . 1 1 31 31 ALA H H 31 8.506 8.506 7.892 0.614 25959 3280 1 25 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.118 0.256 25959 3281 1 25 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.101 -0.083 25959 3282 1 25 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.085 -0.440 25959 3283 1 25 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.031 0.210 25959 3284 1 25 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.274 -0.423 25959 3285 1 25 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.087 0.580 25959 3286 1 25 . 1 1 33 33 ALA H H 33 7.427 7.427 7.928 -0.501 25959 3287 1 25 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.117 0.680 25959 3288 1 25 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.540 13.979 25959 3289 1 25 . 1 1 34 34 CYS H H 34 8.137 8.137 8.308 -0.171 25959 3290 1 25 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.229 0.070 25959 3291 1 25 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.674 -0.014 25959 3292 1 25 . 1 1 35 35 LEU CB C 35 42.671 42.671 41.357 1.314 25959 3293 1 25 . 1 1 35 35 LEU H H 35 7.968 7.968 8.525 -0.557 25959 3294 1 25 . 1 1 36 36 THR HA H 36 4.372 4.372 4.099 0.273 25959 3295 1 25 . 1 1 36 36 THR CA C 36 62.615 62.615 64.914 -2.299 25959 3296 1 25 . 1 1 36 36 THR CB C 36 69.567 69.567 68.912 0.655 25959 3297 1 25 . 1 1 36 36 THR H H 36 7.771 7.771 8.226 -0.455 25959 3298 1 25 . 1 1 37 37 SER HA H 37 4.535 4.535 4.511 0.024 25959 3299 1 25 . 1 1 37 37 SER CB C 37 64.134 64.134 64.471 -0.337 25959 3300 1 25 . 1 1 37 37 SER H H 37 7.987 7.987 8.157 -0.170 25959 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 25959 2 1 1 "Average Difference" HA 38 0.196 -0.061 0.189 25959 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25959 4 1 1 "Average Difference" CA 30 1.169 0.150 1.179 25959 5 1 1 "Average Difference" CB 34 4.988 -2.018 4.630 25959 6 1 1 "Average Difference" HN 34 0.353 0.071 0.350 25959 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25959 8 1 2 "Average Difference" HA 38 0.194 -0.074 0.182 25959 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25959 10 1 2 "Average Difference" CA 30 1.128 0.136 1.139 25959 11 1 2 "Average Difference" CB 34 4.984 -2.101 4.587 25959 12 1 2 "Average Difference" HN 34 0.316 0.092 0.307 25959 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25959 14 1 3 "Average Difference" HA 38 0.202 -0.073 0.191 25959 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25959 16 1 3 "Average Difference" CA 30 1.160 0.163 1.168 25959 17 1 3 "Average Difference" CB 34 4.991 -2.030 4.628 25959 18 1 3 "Average Difference" HN 34 0.350 0.115 0.336 25959 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25959 20 1 4 "Average Difference" HA 38 0.205 -0.093 0.185 25959 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25959 22 1 4 "Average Difference" CA 30 1.078 0.254 1.065 25959 23 1 4 "Average Difference" CB 34 5.026 -2.066 4.651 25959 24 1 4 "Average Difference" HN 34 0.300 0.124 0.277 25959 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25959 26 1 5 "Average Difference" HA 38 0.219 -0.083 0.205 25959 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25959 28 1 5 "Average Difference" CA 30 1.131 0.177 1.137 25959 29 1 5 "Average Difference" CB 34 4.989 -2.060 4.612 25959 30 1 5 "Average Difference" HN 34 0.320 0.036 0.322 25959 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25959 32 1 6 "Average Difference" HA 38 0.208 -0.076 0.196 25959 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25959 34 1 6 "Average Difference" CA 30 1.021 0.156 1.026 25959 35 1 6 "Average Difference" CB 34 4.997 -2.051 4.625 25959 36 1 6 "Average Difference" HN 34 0.308 0.073 0.304 25959 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25959 38 1 7 "Average Difference" HA 38 0.198 -0.058 0.191 25959 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25959 40 1 7 "Average Difference" CA 30 1.122 0.071 1.139 25959 41 1 7 "Average Difference" CB 34 4.992 -2.103 4.595 25959 42 1 7 "Average Difference" HN 34 0.342 0.075 0.339 25959 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25959 44 1 8 "Average Difference" HA 38 0.200 -0.059 0.194 25959 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25959 46 1 8 "Average Difference" CA 30 1.172 0.118 1.186 25959 47 1 8 "Average Difference" CB 34 4.960 -2.050 4.585 25959 48 1 8 "Average Difference" HN 34 0.355 0.129 0.335 25959 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25959 50 1 9 "Average Difference" HA 38 0.203 -0.040 0.201 25959 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25959 52 1 9 "Average Difference" CA 30 1.129 0.102 1.144 25959 53 1 9 "Average Difference" CB 34 4.982 -2.119 4.577 25959 54 1 9 "Average Difference" HN 34 0.410 0.073 0.409 25959 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25959 56 1 10 "Average Difference" HA 38 0.230 -0.063 0.225 25959 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25959 58 1 10 "Average Difference" CA 30 1.110 0.169 1.115 25959 59 1 10 "Average Difference" CB 34 4.998 -2.131 4.588 25959 60 1 10 "Average Difference" HN 34 0.334 0.059 0.334 25959 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25959 62 1 11 "Average Difference" HA 38 0.222 -0.093 0.205 25959 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25959 64 1 11 "Average Difference" CA 30 1.242 0.236 1.240 25959 65 1 11 "Average Difference" CB 34 5.081 -2.147 4.674 25959 66 1 11 "Average Difference" HN 34 0.349 0.125 0.331 25959 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25959 68 1 12 "Average Difference" HA 38 0.188 -0.049 0.184 25959 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25959 70 1 12 "Average Difference" CA 30 1.154 0.091 1.170 25959 71 1 12 "Average Difference" CB 34 5.030 -2.012 4.680 25959 72 1 12 "Average Difference" HN 34 0.301 0.083 0.293 25959 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25959 74 1 13 "Average Difference" HA 38 0.199 -0.040 0.198 25959 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25959 76 1 13 "Average Difference" CA 30 1.095 0.081 1.111 25959 77 1 13 "Average Difference" CB 34 4.956 -1.946 4.626 25959 78 1 13 "Average Difference" HN 34 0.320 0.055 0.320 25959 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25959 80 1 14 "Average Difference" HA 38 0.201 -0.050 0.197 25959 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25959 82 1 14 "Average Difference" CA 30 1.149 0.095 1.165 25959 83 1 14 "Average Difference" CB 34 5.028 -2.127 4.625 25959 84 1 14 "Average Difference" HN 34 0.336 0.048 0.338 25959 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25959 86 1 15 "Average Difference" HA 38 0.225 -0.097 0.206 25959 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25959 88 1 15 "Average Difference" CA 30 1.015 0.171 1.017 25959 89 1 15 "Average Difference" CB 34 4.940 -1.977 4.595 25959 90 1 15 "Average Difference" HN 34 0.334 0.080 0.329 25959 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25959 92 1 16 "Average Difference" HA 38 0.221 -0.064 0.214 25959 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25959 94 1 16 "Average Difference" CA 30 1.092 0.131 1.103 25959 95 1 16 "Average Difference" CB 34 5.017 -2.018 4.662 25959 96 1 16 "Average Difference" HN 34 0.316 0.072 0.313 25959 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25959 98 1 17 "Average Difference" HA 38 0.194 -0.056 0.189 25959 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25959 100 1 17 "Average Difference" CA 30 1.159 0.150 1.169 25959 101 1 17 "Average Difference" CB 34 4.990 -1.985 4.647 25959 102 1 17 "Average Difference" HN 34 0.316 0.077 0.311 25959 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25959 104 1 18 "Average Difference" HA 38 0.216 -0.067 0.208 25959 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25959 106 1 18 "Average Difference" CA 30 1.242 0.138 1.256 25959 107 1 18 "Average Difference" CB 34 5.084 -2.137 4.683 25959 108 1 18 "Average Difference" HN 34 0.300 0.109 0.284 25959 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25959 110 1 19 "Average Difference" HA 38 0.220 -0.079 0.208 25959 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25959 112 1 19 "Average Difference" CA 30 1.350 0.093 1.370 25959 113 1 19 "Average Difference" CB 34 5.057 -2.103 4.668 25959 114 1 19 "Average Difference" HN 34 0.389 0.022 0.394 25959 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25959 116 1 20 "Average Difference" HA 38 0.197 -0.041 0.195 25959 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25959 118 1 20 "Average Difference" CA 30 1.112 0.071 1.129 25959 119 1 20 "Average Difference" CB 34 4.969 -2.023 4.607 25959 120 1 20 "Average Difference" HN 34 0.271 0.061 0.267 25959 121 1 21 "Average Difference" N 0 0.000 0.000 0.000 25959 122 1 21 "Average Difference" HA 38 0.213 -0.104 0.188 25959 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25959 124 1 21 "Average Difference" CA 30 1.166 0.243 1.160 25959 125 1 21 "Average Difference" CB 34 5.025 -2.081 4.643 25959 126 1 21 "Average Difference" HN 34 0.356 0.113 0.343 25959 127 1 22 "Average Difference" N 0 0.000 0.000 0.000 25959 128 1 22 "Average Difference" HA 38 0.179 -0.070 0.167 25959 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25959 130 1 22 "Average Difference" CA 30 1.189 0.206 1.191 25959 131 1 22 "Average Difference" CB 34 4.973 -2.086 4.582 25959 132 1 22 "Average Difference" HN 34 0.347 0.157 0.315 25959 133 1 23 "Average Difference" N 0 0.000 0.000 0.000 25959 134 1 23 "Average Difference" HA 38 0.230 -0.100 0.210 25959 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25959 136 1 23 "Average Difference" CA 30 1.165 0.246 1.158 25959 137 1 23 "Average Difference" CB 34 5.021 -1.994 4.678 25959 138 1 23 "Average Difference" HN 34 0.330 0.066 0.328 25959 139 1 24 "Average Difference" N 0 0.000 0.000 0.000 25959 140 1 24 "Average Difference" HA 38 0.198 -0.044 0.196 25959 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25959 142 1 24 "Average Difference" CA 30 1.072 0.078 1.087 25959 143 1 24 "Average Difference" CB 34 5.007 -2.032 4.645 25959 144 1 24 "Average Difference" HN 34 0.317 0.082 0.311 25959 145 1 25 "Average Difference" N 0 0.000 0.000 0.000 25959 146 1 25 "Average Difference" HA 38 0.227 -0.058 0.222 25959 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25959 148 1 25 "Average Difference" CA 30 1.079 0.104 1.092 25959 149 1 25 "Average Difference" CB 34 5.160 -2.079 4.794 25959 150 1 25 "Average Difference" HN 34 0.342 0.101 0.331 25959 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 25959 _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 ARG HA H 2 4.174 4.174 4.103 0.071 25959 2 1 . 1 1 2 2 ARG CA C 2 59.523 59.523 59.103 0.420 25959 3 1 . 1 1 2 2 ARG CB C 2 30.068 30.068 30.131 -0.063 25959 4 1 . 1 1 2 2 ARG H H 2 8.868 8.868 8.686 0.182 25959 5 1 . 1 1 3 3 TYR HA H 3 4.283 4.283 4.187 0.096 25959 6 1 . 1 1 3 3 TYR CA C 3 61.888 61.888 61.503 0.385 25959 7 1 . 1 1 3 3 TYR CB C 3 38.367 38.367 38.171 0.196 25959 8 1 . 1 1 3 3 TYR H H 3 8.358 8.358 8.514 -0.156 25959 9 1 . 1 1 4 4 GLN HA H 4 3.752 3.752 3.929 -0.177 25959 10 1 . 1 1 4 4 GLN CA C 4 58.954 58.954 59.219 -0.265 25959 11 1 . 1 1 4 4 GLN CB C 4 28.291 28.291 27.864 0.427 25959 12 1 . 1 1 4 4 GLN H H 4 8.314 8.314 8.521 -0.207 25959 13 1 . 1 1 5 5 ASP HA H 5 4.412 4.412 4.424 -0.012 25959 14 1 . 1 1 5 5 ASP CA C 5 57.034 57.034 57.407 -0.373 25959 15 1 . 1 1 5 5 ASP CB C 5 39.028 39.028 40.990 -1.962 25959 16 1 . 1 1 5 5 ASP H H 5 8.148 8.148 8.230 -0.082 25959 17 1 . 1 1 6 6 CYS HA H 6 4.186 4.186 4.161 0.025 25959 18 1 . 1 1 6 6 CYS CA C 6 60.303 60.303 62.613 -2.310 25959 19 1 . 1 1 6 6 CYS CB C 6 37.020 37.020 26.251 10.770 25959 20 1 . 1 1 6 6 CYS H H 6 8.207 8.207 8.084 0.123 25959 21 1 . 1 1 7 7 LEU HA H 7 3.703 3.703 3.888 -0.185 25959 22 1 . 1 1 7 7 LEU CA C 7 58.471 58.471 58.122 0.349 25959 23 1 . 1 1 7 7 LEU CB C 7 42.118 42.118 41.205 0.913 25959 24 1 . 1 1 7 7 LEU H H 7 8.427 8.427 8.218 0.209 25959 25 1 . 1 1 8 8 SER HA H 8 4.207 4.207 4.010 0.197 25959 26 1 . 1 1 8 8 SER CA C 8 61.942 61.942 62.185 -0.243 25959 27 1 . 1 1 8 8 SER CB C 8 62.941 62.941 62.820 0.121 25959 28 1 . 1 1 8 8 SER H H 8 8.397 8.397 8.325 0.072 25959 29 1 . 1 1 9 9 GLU HA H 9 4.145 4.145 3.980 0.165 25959 30 1 . 1 1 9 9 GLU CA C 9 59.008 59.008 59.389 -0.381 25959 31 1 . 1 1 9 9 GLU CB C 9 27.929 27.929 29.479 -1.550 25959 32 1 . 1 1 9 9 GLU H H 9 8.121 8.121 8.056 0.065 25959 33 1 . 1 1 10 10 CYS HA H 10 4.253 4.253 4.065 0.188 25959 34 1 . 1 1 10 10 CYS CA C 10 59.671 59.671 62.937 -3.266 25959 35 1 . 1 1 10 10 CYS CB C 10 38.421 38.421 26.133 12.288 25959 36 1 . 1 1 10 10 CYS H H 10 8.396 8.396 8.321 0.075 25959 37 1 . 1 1 11 11 ASN HA H 11 4.123 4.123 4.383 -0.260 25959 38 1 . 1 1 11 11 ASN CA C 11 57.101 57.101 56.530 0.571 25959 39 1 . 1 1 11 11 ASN CB C 11 38.725 38.725 38.256 0.469 25959 40 1 . 1 1 11 11 ASN H H 11 8.710 8.710 8.498 0.212 25959 41 1 . 1 1 12 12 SER HA H 12 4.211 4.211 4.266 -0.055 25959 42 1 . 1 1 12 12 SER CA C 12 61.961 61.961 60.900 1.061 25959 43 1 . 1 1 12 12 SER CB C 12 62.948 62.948 63.117 -0.169 25959 44 1 . 1 1 12 12 SER H H 12 8.029 8.029 8.176 -0.147 25959 45 1 . 1 1 13 13 ARG HA H 13 4.182 4.182 4.331 -0.149 25959 46 1 . 1 1 13 13 ARG CA C 13 59.154 59.154 58.305 0.849 25959 47 1 . 1 1 13 13 ARG CB C 13 30.091 30.091 30.735 -0.644 25959 48 1 . 1 1 13 13 ARG H H 13 7.955 7.955 7.830 0.125 25959 49 1 . 1 1 14 14 CYS HA H 14 4.732 4.732 4.712 0.020 25959 50 1 . 1 1 14 14 CYS CB C 14 37.752 37.752 26.033 11.719 25959 51 1 . 1 1 14 14 CYS H H 14 7.926 7.926 8.386 -0.460 25959 52 1 . 1 1 15 15 THR HA H 15 4.117 4.117 4.108 0.009 25959 53 1 . 1 1 15 15 THR CA C 15 64.667 64.667 64.353 0.314 25959 54 1 . 1 1 15 15 THR CB C 15 69.599 69.599 68.499 1.100 25959 55 1 . 1 1 15 15 THR H H 15 7.641 7.641 8.130 -0.489 25959 56 1 . 1 1 16 16 TYR HA H 16 4.428 4.428 4.397 0.031 25959 57 1 . 1 1 16 16 TYR CB C 16 37.869 37.869 38.947 -1.079 25959 58 1 . 1 1 16 16 TYR H H 16 7.370 7.370 7.566 -0.196 25959 59 1 . 1 1 17 17 ILE HA H 17 4.187 4.187 4.096 0.091 25959 60 1 . 1 1 17 17 ILE CA C 17 59.521 59.521 59.032 0.489 25959 61 1 . 1 1 17 17 ILE CB C 17 38.821 38.821 37.435 1.386 25959 62 1 . 1 1 17 17 ILE H H 17 7.385 7.385 7.520 -0.135 25959 63 1 . 1 1 18 18 PRO HA H 18 4.459 4.459 4.264 0.195 25959 64 1 . 1 1 18 18 PRO CA C 18 64.517 64.517 63.335 1.182 25959 65 1 . 1 1 18 18 PRO CB C 18 31.720 31.720 31.924 -0.204 25959 66 1 . 1 1 19 19 ASP HA H 19 4.824 4.824 4.597 0.227 25959 67 1 . 1 1 19 19 ASP CB C 19 41.791 41.791 41.596 0.195 25959 68 1 . 1 1 19 19 ASP H H 19 7.527 7.527 7.995 -0.468 25959 69 1 . 1 1 20 20 TYR HA H 20 4.206 4.206 4.057 0.149 25959 70 1 . 1 1 20 20 TYR CA C 20 61.913 61.913 61.785 0.128 25959 71 1 . 1 1 20 20 TYR CB C 20 38.618 38.618 37.933 0.685 25959 72 1 . 1 1 20 20 TYR H H 20 8.858 8.858 8.701 0.157 25959 73 1 . 1 1 21 21 ALA HA H 21 3.964 3.964 4.107 -0.143 25959 74 1 . 1 1 21 21 ALA CA C 21 55.366 55.366 55.471 -0.105 25959 75 1 . 1 1 21 21 ALA CB C 21 18.060 18.060 17.563 0.497 25959 76 1 . 1 1 21 21 ALA H H 21 8.669 8.669 8.284 0.385 25959 77 1 . 1 1 22 22 GLY CA C 22 46.921 46.921 46.962 -0.041 25959 78 1 . 1 1 22 22 GLY H H 22 8.106 8.106 8.294 -0.188 25959 79 1 . 1 1 23 23 MET HA H 23 3.983 3.983 4.134 -0.151 25959 80 1 . 1 1 23 23 MET CA C 23 60.246 60.246 58.495 1.751 25959 81 1 . 1 1 23 23 MET CB C 23 31.953 31.953 32.604 -0.651 25959 82 1 . 1 1 23 23 MET H H 23 8.406 8.406 8.180 0.226 25959 83 1 . 1 1 24 24 ARG HA H 24 3.795 3.795 3.977 -0.182 25959 84 1 . 1 1 24 24 ARG CA C 24 58.767 58.767 59.597 -0.830 25959 85 1 . 1 1 24 24 ARG CB C 24 29.097 29.097 30.176 -1.079 25959 86 1 . 1 1 24 24 ARG H H 24 8.411 8.411 8.383 0.028 25959 87 1 . 1 1 25 25 ALA HA H 25 4.133 4.133 4.131 0.002 25959 88 1 . 1 1 25 25 ALA CA C 25 54.891 54.891 55.013 -0.122 25959 89 1 . 1 1 25 25 ALA CB C 25 18.060 18.060 18.124 -0.064 25959 90 1 . 1 1 25 25 ALA H H 25 8.004 8.004 8.286 -0.282 25959 91 1 . 1 1 26 26 CYS HA H 26 4.138 4.138 4.152 -0.014 25959 92 1 . 1 1 26 26 CYS CA C 26 60.160 60.160 62.390 -2.230 25959 93 1 . 1 1 26 26 CYS CB C 26 35.207 35.207 26.543 8.664 25959 94 1 . 1 1 26 26 CYS H H 26 7.761 7.761 8.034 -0.273 25959 95 1 . 1 1 27 27 ILE HA H 27 3.725 3.725 3.821 -0.096 25959 96 1 . 1 1 27 27 ILE CA C 27 65.188 65.188 64.732 0.456 25959 97 1 . 1 1 27 27 ILE CB C 27 38.232 38.232 37.634 0.598 25959 98 1 . 1 1 27 27 ILE H H 27 8.363 8.363 8.437 -0.074 25959 99 1 . 1 1 28 28 GLY CA C 28 46.835 46.835 46.736 0.099 25959 100 1 . 1 1 28 28 GLY H H 28 8.037 8.037 8.039 -0.002 25959 101 1 . 1 1 29 29 LEU HA H 29 4.380 4.380 4.617 -0.237 25959 102 1 . 1 1 29 29 LEU CA C 29 55.833 55.833 55.733 0.100 25959 103 1 . 1 1 29 29 LEU CB C 29 42.688 42.688 42.651 0.037 25959 104 1 . 1 1 29 29 LEU H H 29 7.457 7.457 7.732 -0.275 25959 105 1 . 1 1 30 30 CYS HA H 30 4.497 4.497 4.043 0.454 25959 106 1 . 1 1 30 30 CYS CB C 30 38.468 38.468 25.543 12.925 25959 107 1 . 1 1 30 30 CYS H H 30 7.869 7.869 8.291 -0.422 25959 108 1 . 1 1 31 31 ALA HA H 31 4.259 4.259 4.028 0.231 25959 109 1 . 1 1 31 31 ALA CA C 31 57.288 57.288 56.741 0.547 25959 110 1 . 1 1 31 31 ALA CB C 31 15.569 15.569 16.109 -0.540 25959 111 1 . 1 1 31 31 ALA H H 31 8.506 8.506 7.975 0.531 25959 112 1 . 1 1 32 32 PRO HA H 32 4.374 4.374 4.108 0.266 25959 113 1 . 1 1 32 32 PRO CA C 32 66.018 66.018 66.080 -0.062 25959 114 1 . 1 1 32 32 PRO CB C 32 30.645 30.645 31.139 -0.494 25959 115 1 . 1 1 33 33 ALA HA H 33 4.241 4.241 4.114 0.128 25959 116 1 . 1 1 33 33 ALA CA C 33 54.851 54.851 55.130 -0.279 25959 117 1 . 1 1 33 33 ALA CB C 33 18.667 18.667 18.120 0.547 25959 118 1 . 1 1 33 33 ALA H H 33 7.427 7.427 8.022 -0.595 25959 119 1 . 1 1 34 34 CYS HA H 34 4.797 4.797 4.227 0.570 25959 120 1 . 1 1 34 34 CYS CB C 34 39.519 39.519 25.871 13.648 25959 121 1 . 1 1 34 34 CYS H H 34 8.137 8.137 8.061 0.076 25959 122 1 . 1 1 35 35 LEU HA H 35 4.299 4.299 4.170 0.129 25959 123 1 . 1 1 35 35 LEU CA C 35 57.660 57.660 57.831 -0.171 25959 124 1 . 1 1 35 35 LEU CB C 35 42.671 42.671 42.002 0.669 25959 125 1 . 1 1 35 35 LEU H H 35 7.968 7.968 8.615 -0.647 25959 126 1 . 1 1 36 36 THR HA H 36 4.372 4.372 4.152 0.220 25959 127 1 . 1 1 36 36 THR CA C 36 62.615 62.615 64.992 -2.377 25959 128 1 . 1 1 36 36 THR CB C 36 69.567 69.567 69.002 0.565 25959 129 1 . 1 1 36 36 THR H H 36 7.771 7.771 8.047 -0.276 25959 130 1 . 1 1 37 37 SER HA H 37 4.535 4.535 4.440 0.095 25959 131 1 . 1 1 37 37 SER CB C 37 64.134 64.134 64.048 0.086 25959 132 1 . 1 1 37 37 SER H H 37 7.987 7.987 7.936 0.051 25959 stop_ save_