data_17803 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17803 _Entry.PDB_ID 2LGB 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 17803 _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 ILE HA H 2 3.923 3.923 4.193 -0.270 17803 2 1 1 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.398 1.268 17803 3 1 1 . 1 1 2 2 ILE H H 2 8.376 8.376 7.922 0.454 17803 4 1 1 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.585 0.064 17803 5 1 1 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.810 0.885 17803 6 1 1 . 1 1 3 3 VAL H H 3 7.917 7.917 7.974 -0.057 17803 7 1 1 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.014 0.180 17803 8 1 1 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.633 -0.711 17803 9 1 1 . 1 1 4 4 GLU H H 4 7.994 7.994 8.853 -0.859 17803 10 1 1 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.217 -0.215 17803 11 1 1 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.886 0.748 17803 12 1 1 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.815 0.400 17803 13 1 1 . 1 1 5 5 GLN H H 5 8.210 8.210 7.921 0.289 17803 14 1 1 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.944 -0.133 17803 15 1 1 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.019 -4.471 17803 16 1 1 . 1 1 6 6 CYS H H 6 8.138 8.138 7.562 0.576 17803 17 1 1 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.440 0.322 17803 18 1 1 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.311 -4.200 17803 19 1 1 . 1 1 7 7 CYS H H 7 8.228 8.228 8.599 -0.371 17803 20 1 1 . 1 1 8 8 THR HA H 8 4.038 4.038 4.295 -0.257 17803 21 1 1 . 1 1 8 8 THR CA C 8 64.343 64.343 63.242 1.101 17803 22 1 1 . 1 1 8 8 THR CB C 8 68.548 68.548 69.389 -0.841 17803 23 1 1 . 1 1 8 8 THR H H 8 8.010 8.010 8.009 0.001 17803 24 1 1 . 1 1 9 9 SER HA H 9 4.668 4.668 4.802 -0.134 17803 25 1 1 . 1 1 9 9 SER CA C 9 56.043 56.043 57.166 -1.123 17803 26 1 1 . 1 1 9 9 SER CB C 9 63.877 63.877 65.962 -2.085 17803 27 1 1 . 1 1 9 9 SER H H 9 7.417 7.417 7.642 -0.225 17803 28 1 1 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.107 0.270 17803 29 1 1 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.765 -1.904 17803 30 1 1 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.320 1.099 17803 31 1 1 . 1 1 10 10 ILE H H 10 7.756 7.756 8.248 -0.492 17803 32 1 1 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.223 -0.238 17803 33 1 1 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.250 -3.333 17803 34 1 1 . 1 1 11 11 CYS H H 11 9.351 9.351 8.425 0.926 17803 35 1 1 . 1 1 12 12 SER HA H 12 4.553 4.553 4.801 -0.248 17803 36 1 1 . 1 1 12 12 SER CA C 12 56.396 56.396 56.889 -0.493 17803 37 1 1 . 1 1 12 12 SER CB C 12 65.643 65.643 65.242 0.401 17803 38 1 1 . 1 1 12 12 SER H H 12 8.551 8.551 8.723 -0.172 17803 39 1 1 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.891 0.047 17803 40 1 1 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.905 0.631 17803 41 1 1 . 1 1 13 13 LEU CB C 13 41.364 41.364 40.903 0.461 17803 42 1 1 . 1 1 13 13 LEU H H 13 8.596 8.596 8.633 -0.037 17803 43 1 1 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.426 -0.310 17803 44 1 1 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.035 0.225 17803 45 1 1 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.016 0.825 17803 46 1 1 . 1 1 14 14 TYR H H 14 7.477 7.477 7.871 -0.394 17803 47 1 1 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.838 0.099 17803 48 1 1 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.423 -0.162 17803 49 1 1 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.621 0.498 17803 50 1 1 . 1 1 15 15 GLN H H 15 7.521 7.521 7.485 0.036 17803 51 1 1 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.828 0.274 17803 52 1 1 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.848 0.346 17803 53 1 1 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.623 0.410 17803 54 1 1 . 1 1 16 16 LEU H H 16 7.979 7.979 8.023 -0.044 17803 55 1 1 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.965 0.104 17803 56 1 1 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.160 -1.306 17803 57 1 1 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.356 -1.682 17803 58 1 1 . 1 1 17 17 GLU H H 17 8.067 8.067 8.346 -0.279 17803 59 1 1 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.491 -0.101 17803 60 1 1 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.786 -0.831 17803 61 1 1 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.419 0.078 17803 62 1 1 . 1 1 18 18 ASN H H 18 7.474 7.474 7.505 -0.031 17803 63 1 1 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.455 -0.076 17803 64 1 1 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.144 0.323 17803 65 1 1 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.448 0.638 17803 66 1 1 . 1 1 19 19 TYR H H 19 7.853 7.853 8.205 -0.352 17803 67 1 1 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.393 0.169 17803 68 1 1 . 1 1 20 20 CYS CA C 20 54.523 54.523 60.418 -5.895 17803 69 1 1 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.080 9.887 17803 70 1 1 . 1 1 20 20 CYS H H 20 7.535 7.535 8.109 -0.574 17803 71 1 1 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.755 -0.042 17803 72 1 1 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.194 -0.107 17803 73 1 1 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.063 -0.133 17803 74 1 1 . 1 1 21 21 ASN H H 21 7.968 7.968 7.912 0.056 17803 75 1 2 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.154 -0.231 17803 76 1 2 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.311 0.354 17803 77 1 2 . 1 1 2 2 ILE H H 2 8.376 8.376 9.195 -0.819 17803 78 1 2 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.878 -0.229 17803 79 1 2 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.818 0.877 17803 80 1 2 . 1 1 3 3 VAL H H 3 7.917 7.917 7.940 -0.023 17803 81 1 2 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.232 -0.038 17803 82 1 2 . 1 1 4 4 GLU CB C 4 27.922 27.922 27.830 0.092 17803 83 1 2 . 1 1 4 4 GLU H H 4 7.994 7.994 8.778 -0.784 17803 84 1 2 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.480 -0.478 17803 85 1 2 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.902 0.732 17803 86 1 2 . 1 1 5 5 GLN CB C 5 29.215 29.215 30.272 -1.057 17803 87 1 2 . 1 1 5 5 GLN H H 5 8.210 8.210 7.455 0.755 17803 88 1 2 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.725 0.086 17803 89 1 2 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.738 -6.190 17803 90 1 2 . 1 1 6 6 CYS H H 6 8.138 8.138 8.404 -0.266 17803 91 1 2 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.436 0.326 17803 92 1 2 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.169 -3.058 17803 93 1 2 . 1 1 7 7 CYS H H 7 8.228 8.228 8.515 -0.287 17803 94 1 2 . 1 1 8 8 THR HA H 8 4.038 4.038 4.200 -0.162 17803 95 1 2 . 1 1 8 8 THR CA C 8 64.343 64.343 63.791 0.552 17803 96 1 2 . 1 1 8 8 THR CB C 8 68.548 68.548 69.132 -0.584 17803 97 1 2 . 1 1 8 8 THR H H 8 8.010 8.010 8.102 -0.092 17803 98 1 2 . 1 1 9 9 SER HA H 9 4.668 4.668 4.745 -0.077 17803 99 1 2 . 1 1 9 9 SER CA C 9 56.043 56.043 56.564 -0.521 17803 100 1 2 . 1 1 9 9 SER CB C 9 63.877 63.877 64.569 -0.692 17803 101 1 2 . 1 1 9 9 SER H H 9 7.417 7.417 7.584 -0.167 17803 102 1 2 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.193 0.184 17803 103 1 2 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.801 -0.940 17803 104 1 2 . 1 1 10 10 ILE CB C 10 39.419 39.419 37.785 1.635 17803 105 1 2 . 1 1 10 10 ILE H H 10 7.756 7.756 8.083 -0.327 17803 106 1 2 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.689 0.296 17803 107 1 2 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.237 -5.320 17803 108 1 2 . 1 1 11 11 CYS H H 11 9.351 9.351 8.689 0.662 17803 109 1 2 . 1 1 12 12 SER HA H 12 4.553 4.553 4.895 -0.342 17803 110 1 2 . 1 1 12 12 SER CA C 12 56.396 56.396 56.713 -0.317 17803 111 1 2 . 1 1 12 12 SER CB C 12 65.643 65.643 64.632 1.012 17803 112 1 2 . 1 1 12 12 SER H H 12 8.551 8.551 8.722 -0.171 17803 113 1 2 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.090 -0.152 17803 114 1 2 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.941 0.595 17803 115 1 2 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.425 -0.061 17803 116 1 2 . 1 1 13 13 LEU H H 13 8.596 8.596 8.789 -0.193 17803 117 1 2 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.208 -0.092 17803 118 1 2 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.614 -0.354 17803 119 1 2 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.704 -0.864 17803 120 1 2 . 1 1 14 14 TYR H H 14 7.477 7.477 7.740 -0.263 17803 121 1 2 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.831 0.106 17803 122 1 2 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.086 0.175 17803 123 1 2 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.058 0.061 17803 124 1 2 . 1 1 15 15 GLN H H 15 7.521 7.521 7.666 -0.145 17803 125 1 2 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.883 0.219 17803 126 1 2 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.813 0.381 17803 127 1 2 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.930 0.103 17803 128 1 2 . 1 1 16 16 LEU H H 16 7.979 7.979 8.294 -0.315 17803 129 1 2 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.921 0.148 17803 130 1 2 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.858 -1.004 17803 131 1 2 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.207 -1.533 17803 132 1 2 . 1 1 17 17 GLU H H 17 8.067 8.067 8.138 -0.071 17803 133 1 2 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.344 0.046 17803 134 1 2 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.697 -0.742 17803 135 1 2 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.083 0.414 17803 136 1 2 . 1 1 18 18 ASN H H 18 7.474 7.474 7.353 0.121 17803 137 1 2 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.443 -0.064 17803 138 1 2 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.055 0.412 17803 139 1 2 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.379 0.707 17803 140 1 2 . 1 1 19 19 TYR H H 19 7.853 7.853 7.249 0.604 17803 141 1 2 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.614 -0.052 17803 142 1 2 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.763 -4.240 17803 143 1 2 . 1 1 20 20 CYS CB C 20 36.967 36.967 26.812 10.155 17803 144 1 2 . 1 1 20 20 CYS H H 20 7.535 7.535 7.597 -0.062 17803 145 1 2 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.394 0.319 17803 146 1 2 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.346 -0.259 17803 147 1 2 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.372 1.558 17803 148 1 2 . 1 1 21 21 ASN H H 21 7.968 7.968 7.897 0.071 17803 149 1 3 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.621 0.302 17803 150 1 3 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.185 -0.520 17803 151 1 3 . 1 1 2 2 ILE H H 2 8.376 8.376 8.245 0.131 17803 152 1 3 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.735 -0.086 17803 153 1 3 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.637 1.058 17803 154 1 3 . 1 1 3 3 VAL H H 3 7.917 7.917 7.975 -0.058 17803 155 1 3 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.245 -0.051 17803 156 1 3 . 1 1 4 4 GLU CB C 4 27.922 27.922 27.878 0.044 17803 157 1 3 . 1 1 4 4 GLU H H 4 7.994 7.994 8.327 -0.333 17803 158 1 3 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.610 -0.608 17803 159 1 3 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.516 1.118 17803 160 1 3 . 1 1 5 5 GLN CB C 5 29.215 29.215 30.529 -1.313 17803 161 1 3 . 1 1 5 5 GLN H H 5 8.210 8.210 7.655 0.555 17803 162 1 3 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.880 -0.069 17803 163 1 3 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.692 -6.144 17803 164 1 3 . 1 1 6 6 CYS H H 6 8.138 8.138 7.939 0.199 17803 165 1 3 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.410 0.352 17803 166 1 3 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.728 -3.617 17803 167 1 3 . 1 1 7 7 CYS H H 7 8.228 8.228 8.724 -0.496 17803 168 1 3 . 1 1 8 8 THR HA H 8 4.038 4.038 4.360 -0.322 17803 169 1 3 . 1 1 8 8 THR CA C 8 64.343 64.343 62.577 1.766 17803 170 1 3 . 1 1 8 8 THR CB C 8 68.548 68.548 69.554 -1.006 17803 171 1 3 . 1 1 8 8 THR H H 8 8.010 8.010 8.367 -0.357 17803 172 1 3 . 1 1 9 9 SER HA H 9 4.668 4.668 4.771 -0.103 17803 173 1 3 . 1 1 9 9 SER CA C 9 56.043 56.043 57.215 -1.172 17803 174 1 3 . 1 1 9 9 SER CB C 9 63.877 63.877 65.364 -1.487 17803 175 1 3 . 1 1 9 9 SER H H 9 7.417 7.417 7.745 -0.328 17803 176 1 3 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.179 0.198 17803 177 1 3 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.633 -1.772 17803 178 1 3 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.608 0.811 17803 179 1 3 . 1 1 10 10 ILE H H 10 7.756 7.756 8.058 -0.302 17803 180 1 3 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.934 0.051 17803 181 1 3 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.980 -5.063 17803 182 1 3 . 1 1 11 11 CYS H H 11 9.351 9.351 8.355 0.996 17803 183 1 3 . 1 1 12 12 SER HA H 12 4.553 4.553 4.815 -0.262 17803 184 1 3 . 1 1 12 12 SER CA C 12 56.396 56.396 56.859 -0.463 17803 185 1 3 . 1 1 12 12 SER CB C 12 65.643 65.643 64.810 0.833 17803 186 1 3 . 1 1 12 12 SER H H 12 8.551 8.551 8.723 -0.172 17803 187 1 3 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.977 -0.039 17803 188 1 3 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.810 0.726 17803 189 1 3 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.187 0.177 17803 190 1 3 . 1 1 13 13 LEU H H 13 8.596 8.596 8.922 -0.326 17803 191 1 3 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.580 -0.464 17803 192 1 3 . 1 1 14 14 TYR CA C 14 60.260 60.260 58.695 1.565 17803 193 1 3 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.018 0.822 17803 194 1 3 . 1 1 14 14 TYR H H 14 7.477 7.477 8.123 -0.646 17803 195 1 3 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.233 -0.296 17803 196 1 3 . 1 1 15 15 GLN CA C 15 58.261 58.261 56.982 1.279 17803 197 1 3 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.119 0.000 17803 198 1 3 . 1 1 15 15 GLN H H 15 7.521 7.521 7.567 -0.046 17803 199 1 3 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.458 -0.356 17803 200 1 3 . 1 1 16 16 LEU CA C 16 58.194 58.194 56.835 1.359 17803 201 1 3 . 1 1 16 16 LEU CB C 16 42.033 42.033 42.246 -0.213 17803 202 1 3 . 1 1 16 16 LEU H H 16 7.979 7.979 7.635 0.344 17803 203 1 3 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.082 -0.013 17803 204 1 3 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.385 -0.531 17803 205 1 3 . 1 1 17 17 GLU CB C 17 27.674 27.674 28.680 -1.006 17803 206 1 3 . 1 1 17 17 GLU H H 17 8.067 8.067 8.167 -0.100 17803 207 1 3 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.374 0.016 17803 208 1 3 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.325 -0.370 17803 209 1 3 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.133 0.365 17803 210 1 3 . 1 1 18 18 ASN H H 18 7.474 7.474 7.935 -0.461 17803 211 1 3 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.589 -0.210 17803 212 1 3 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.481 -0.014 17803 213 1 3 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.240 -0.154 17803 214 1 3 . 1 1 19 19 TYR H H 19 7.853 7.853 8.073 -0.220 17803 215 1 3 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.384 0.178 17803 216 1 3 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.423 -4.900 17803 217 1 3 . 1 1 20 20 CYS CB C 20 36.967 36.967 26.550 10.417 17803 218 1 3 . 1 1 20 20 CYS H H 20 7.535 7.535 7.868 -0.333 17803 219 1 3 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.350 0.363 17803 220 1 3 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.634 -0.547 17803 221 1 3 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.140 1.790 17803 222 1 3 . 1 1 21 21 ASN H H 21 7.968 7.968 7.844 0.124 17803 223 1 4 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.650 0.273 17803 224 1 4 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.569 0.096 17803 225 1 4 . 1 1 2 2 ILE H H 2 8.376 8.376 8.306 0.070 17803 226 1 4 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.701 -0.052 17803 227 1 4 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.324 1.371 17803 228 1 4 . 1 1 3 3 VAL H H 3 7.917 7.917 7.917 0.000 17803 229 1 4 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.043 0.151 17803 230 1 4 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.704 -0.782 17803 231 1 4 . 1 1 4 4 GLU H H 4 7.994 7.994 8.812 -0.818 17803 232 1 4 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.186 -0.184 17803 233 1 4 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.078 0.556 17803 234 1 4 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.358 0.857 17803 235 1 4 . 1 1 5 5 GLN H H 5 8.210 8.210 7.893 0.317 17803 236 1 4 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.833 -0.022 17803 237 1 4 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.790 -5.242 17803 238 1 4 . 1 1 6 6 CYS H H 6 8.138 8.138 7.713 0.425 17803 239 1 4 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.510 0.252 17803 240 1 4 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.281 -4.170 17803 241 1 4 . 1 1 7 7 CYS H H 7 8.228 8.228 8.793 -0.565 17803 242 1 4 . 1 1 8 8 THR HA H 8 4.038 4.038 4.399 -0.361 17803 243 1 4 . 1 1 8 8 THR CA C 8 64.343 64.343 62.495 1.848 17803 244 1 4 . 1 1 8 8 THR CB C 8 68.548 68.548 69.765 -1.217 17803 245 1 4 . 1 1 8 8 THR H H 8 8.010 8.010 7.776 0.234 17803 246 1 4 . 1 1 9 9 SER HA H 9 4.668 4.668 4.679 -0.011 17803 247 1 4 . 1 1 9 9 SER CA C 9 56.043 56.043 57.679 -1.636 17803 248 1 4 . 1 1 9 9 SER CB C 9 63.877 63.877 64.842 -0.965 17803 249 1 4 . 1 1 9 9 SER H H 9 7.417 7.417 7.987 -0.570 17803 250 1 4 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.279 0.098 17803 251 1 4 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.839 -0.978 17803 252 1 4 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.889 0.530 17803 253 1 4 . 1 1 10 10 ILE H H 10 7.756 7.756 8.090 -0.334 17803 254 1 4 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.081 -0.096 17803 255 1 4 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.793 -3.876 17803 256 1 4 . 1 1 11 11 CYS H H 11 9.351 9.351 8.259 1.092 17803 257 1 4 . 1 1 12 12 SER HA H 12 4.553 4.553 4.684 -0.131 17803 258 1 4 . 1 1 12 12 SER CA C 12 56.396 56.396 56.334 0.062 17803 259 1 4 . 1 1 12 12 SER CB C 12 65.643 65.643 64.451 1.192 17803 260 1 4 . 1 1 12 12 SER H H 12 8.551 8.551 8.632 -0.081 17803 261 1 4 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.940 -0.002 17803 262 1 4 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.114 0.423 17803 263 1 4 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.154 0.210 17803 264 1 4 . 1 1 13 13 LEU H H 13 8.596 8.596 8.628 -0.032 17803 265 1 4 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.661 -0.545 17803 266 1 4 . 1 1 14 14 TYR CA C 14 60.260 60.260 58.310 1.950 17803 267 1 4 . 1 1 14 14 TYR CB C 14 37.840 37.840 36.758 1.082 17803 268 1 4 . 1 1 14 14 TYR H H 14 7.477 7.477 7.925 -0.448 17803 269 1 4 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.073 -0.136 17803 270 1 4 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.493 0.768 17803 271 1 4 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.111 0.008 17803 272 1 4 . 1 1 15 15 GLN H H 15 7.521 7.521 7.273 0.248 17803 273 1 4 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.778 0.324 17803 274 1 4 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.811 0.383 17803 275 1 4 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.835 0.198 17803 276 1 4 . 1 1 16 16 LEU H H 16 7.979 7.979 7.822 0.157 17803 277 1 4 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.929 0.140 17803 278 1 4 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.837 -0.982 17803 279 1 4 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.284 -1.610 17803 280 1 4 . 1 1 17 17 GLU H H 17 8.067 8.067 8.209 -0.142 17803 281 1 4 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.464 -0.074 17803 282 1 4 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.723 -0.768 17803 283 1 4 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.300 0.197 17803 284 1 4 . 1 1 18 18 ASN H H 18 7.474 7.474 7.552 -0.078 17803 285 1 4 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.463 -0.084 17803 286 1 4 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.934 0.534 17803 287 1 4 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.627 0.459 17803 288 1 4 . 1 1 19 19 TYR H H 19 7.853 7.853 7.353 0.500 17803 289 1 4 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.812 -0.250 17803 290 1 4 . 1 1 20 20 CYS CA C 20 54.523 54.523 57.126 -2.603 17803 291 1 4 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.451 9.516 17803 292 1 4 . 1 1 20 20 CYS H H 20 7.535 7.535 7.625 -0.090 17803 293 1 4 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.330 0.383 17803 294 1 4 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.413 -0.325 17803 295 1 4 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.319 1.611 17803 296 1 4 . 1 1 21 21 ASN H H 21 7.968 7.968 7.976 -0.008 17803 297 1 5 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.862 0.061 17803 298 1 5 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.663 0.002 17803 299 1 5 . 1 1 2 2 ILE H H 2 8.376 8.376 8.032 0.344 17803 300 1 5 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.573 0.076 17803 301 1 5 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.815 0.880 17803 302 1 5 . 1 1 3 3 VAL H H 3 7.917 7.917 7.977 -0.060 17803 303 1 5 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.986 0.208 17803 304 1 5 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.714 -0.792 17803 305 1 5 . 1 1 4 4 GLU H H 4 7.994 7.994 8.876 -0.882 17803 306 1 5 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.167 -0.165 17803 307 1 5 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.319 0.315 17803 308 1 5 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.931 0.284 17803 309 1 5 . 1 1 5 5 GLN H H 5 8.210 8.210 7.770 0.440 17803 310 1 5 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.614 0.197 17803 311 1 5 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.280 -5.732 17803 312 1 5 . 1 1 6 6 CYS H H 6 8.138 8.138 7.761 0.377 17803 313 1 5 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.520 0.242 17803 314 1 5 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.786 -4.675 17803 315 1 5 . 1 1 7 7 CYS H H 7 8.228 8.228 8.936 -0.708 17803 316 1 5 . 1 1 8 8 THR HA H 8 4.038 4.038 4.316 -0.278 17803 317 1 5 . 1 1 8 8 THR CA C 8 64.343 64.343 63.223 1.120 17803 318 1 5 . 1 1 8 8 THR CB C 8 68.548 68.548 69.358 -0.810 17803 319 1 5 . 1 1 8 8 THR H H 8 8.010 8.010 7.849 0.161 17803 320 1 5 . 1 1 9 9 SER HA H 9 4.668 4.668 4.657 0.011 17803 321 1 5 . 1 1 9 9 SER CA C 9 56.043 56.043 57.026 -0.983 17803 322 1 5 . 1 1 9 9 SER CB C 9 63.877 63.877 64.207 -0.330 17803 323 1 5 . 1 1 9 9 SER H H 9 7.417 7.417 7.842 -0.425 17803 324 1 5 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.505 -0.129 17803 325 1 5 . 1 1 10 10 ILE CA C 10 59.861 59.861 59.892 -0.031 17803 326 1 5 . 1 1 10 10 ILE CB C 10 39.419 39.419 40.328 -0.909 17803 327 1 5 . 1 1 10 10 ILE H H 10 7.756 7.756 8.089 -0.333 17803 328 1 5 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.103 -0.118 17803 329 1 5 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.611 -3.695 17803 330 1 5 . 1 1 11 11 CYS H H 11 9.351 9.351 8.316 1.035 17803 331 1 5 . 1 1 12 12 SER HA H 12 4.553 4.553 4.664 -0.111 17803 332 1 5 . 1 1 12 12 SER CA C 12 56.396 56.396 56.353 0.043 17803 333 1 5 . 1 1 12 12 SER CB C 12 65.643 65.643 63.989 1.654 17803 334 1 5 . 1 1 12 12 SER H H 12 8.551 8.551 8.821 -0.270 17803 335 1 5 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.926 0.012 17803 336 1 5 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.060 0.475 17803 337 1 5 . 1 1 13 13 LEU CB C 13 41.364 41.364 40.978 0.386 17803 338 1 5 . 1 1 13 13 LEU H H 13 8.596 8.596 8.637 -0.041 17803 339 1 5 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.254 -0.138 17803 340 1 5 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.136 1.124 17803 341 1 5 . 1 1 14 14 TYR CB C 14 37.840 37.840 36.624 1.216 17803 342 1 5 . 1 1 14 14 TYR H H 14 7.477 7.477 7.900 -0.423 17803 343 1 5 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.006 -0.069 17803 344 1 5 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.566 0.696 17803 345 1 5 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.057 0.062 17803 346 1 5 . 1 1 15 15 GLN H H 15 7.521 7.521 7.220 0.301 17803 347 1 5 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.529 0.573 17803 348 1 5 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.791 0.403 17803 349 1 5 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.831 0.202 17803 350 1 5 . 1 1 16 16 LEU H H 16 7.979 7.979 8.080 -0.101 17803 351 1 5 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.942 0.127 17803 352 1 5 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.752 -0.898 17803 353 1 5 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.537 -1.863 17803 354 1 5 . 1 1 17 17 GLU H H 17 8.067 8.067 8.157 -0.090 17803 355 1 5 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.533 -0.143 17803 356 1 5 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.163 -0.207 17803 357 1 5 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.347 0.150 17803 358 1 5 . 1 1 18 18 ASN H H 18 7.474 7.474 7.493 -0.019 17803 359 1 5 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.517 -0.138 17803 360 1 5 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.586 0.881 17803 361 1 5 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.112 0.974 17803 362 1 5 . 1 1 19 19 TYR H H 19 7.853 7.853 7.404 0.449 17803 363 1 5 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.413 0.149 17803 364 1 5 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.672 -5.149 17803 365 1 5 . 1 1 20 20 CYS CB C 20 36.967 36.967 26.619 10.348 17803 366 1 5 . 1 1 20 20 CYS H H 20 7.535 7.535 7.759 -0.224 17803 367 1 5 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.705 0.008 17803 368 1 5 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.830 0.257 17803 369 1 5 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.279 1.651 17803 370 1 5 . 1 1 21 21 ASN H H 21 7.968 7.968 7.792 0.176 17803 371 1 6 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.268 0.655 17803 372 1 6 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.793 -1.128 17803 373 1 6 . 1 1 2 2 ILE H H 2 8.376 8.376 8.392 -0.016 17803 374 1 6 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.628 0.021 17803 375 1 6 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.070 0.625 17803 376 1 6 . 1 1 3 3 VAL H H 3 7.917 7.917 7.827 0.090 17803 377 1 6 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.968 0.226 17803 378 1 6 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.045 -1.123 17803 379 1 6 . 1 1 4 4 GLU H H 4 7.994 7.994 8.325 -0.331 17803 380 1 6 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.176 -0.174 17803 381 1 6 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.127 0.507 17803 382 1 6 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.552 0.663 17803 383 1 6 . 1 1 5 5 GLN H H 5 8.210 8.210 8.098 0.112 17803 384 1 6 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.928 -0.117 17803 385 1 6 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.684 -4.136 17803 386 1 6 . 1 1 6 6 CYS H H 6 8.138 8.138 7.678 0.460 17803 387 1 6 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.714 0.048 17803 388 1 6 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.053 -3.942 17803 389 1 6 . 1 1 7 7 CYS H H 7 8.228 8.228 8.155 0.073 17803 390 1 6 . 1 1 8 8 THR HA H 8 4.038 4.038 4.370 -0.332 17803 391 1 6 . 1 1 8 8 THR CA C 8 64.343 64.343 63.014 1.329 17803 392 1 6 . 1 1 8 8 THR CB C 8 68.548 68.548 69.490 -0.942 17803 393 1 6 . 1 1 8 8 THR H H 8 8.010 8.010 8.176 -0.166 17803 394 1 6 . 1 1 9 9 SER HA H 9 4.668 4.668 4.829 -0.161 17803 395 1 6 . 1 1 9 9 SER CA C 9 56.043 56.043 56.746 -0.703 17803 396 1 6 . 1 1 9 9 SER CB C 9 63.877 63.877 65.947 -2.070 17803 397 1 6 . 1 1 9 9 SER H H 9 7.417 7.417 7.766 -0.349 17803 398 1 6 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.446 -0.069 17803 399 1 6 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.253 -0.392 17803 400 1 6 . 1 1 10 10 ILE CB C 10 39.419 39.419 39.053 0.366 17803 401 1 6 . 1 1 10 10 ILE H H 10 7.756 7.756 8.276 -0.520 17803 402 1 6 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.026 -0.041 17803 403 1 6 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.159 -4.242 17803 404 1 6 . 1 1 11 11 CYS H H 11 9.351 9.351 8.806 0.545 17803 405 1 6 . 1 1 12 12 SER HA H 12 4.553 4.553 4.746 -0.193 17803 406 1 6 . 1 1 12 12 SER CA C 12 56.396 56.396 57.342 -0.946 17803 407 1 6 . 1 1 12 12 SER CB C 12 65.643 65.643 65.754 -0.111 17803 408 1 6 . 1 1 12 12 SER H H 12 8.551 8.551 9.178 -0.627 17803 409 1 6 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.918 0.020 17803 410 1 6 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.730 0.806 17803 411 1 6 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.145 0.218 17803 412 1 6 . 1 1 13 13 LEU H H 13 8.596 8.596 8.619 -0.023 17803 413 1 6 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.287 -0.171 17803 414 1 6 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.514 -0.254 17803 415 1 6 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.761 0.079 17803 416 1 6 . 1 1 14 14 TYR H H 14 7.477 7.477 7.596 -0.119 17803 417 1 6 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.013 -0.076 17803 418 1 6 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.537 0.724 17803 419 1 6 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.795 0.324 17803 420 1 6 . 1 1 15 15 GLN H H 15 7.521 7.521 7.839 -0.318 17803 421 1 6 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.963 0.139 17803 422 1 6 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.862 0.332 17803 423 1 6 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.713 0.320 17803 424 1 6 . 1 1 16 16 LEU H H 16 7.979 7.979 7.885 0.094 17803 425 1 6 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.144 -0.075 17803 426 1 6 . 1 1 17 17 GLU CA C 17 57.854 57.854 57.831 0.023 17803 427 1 6 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.344 -1.670 17803 428 1 6 . 1 1 17 17 GLU H H 17 8.067 8.067 7.989 0.078 17803 429 1 6 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.645 -0.255 17803 430 1 6 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.166 -0.211 17803 431 1 6 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.986 -0.489 17803 432 1 6 . 1 1 18 18 ASN H H 18 7.474 7.474 7.646 -0.172 17803 433 1 6 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.354 0.025 17803 434 1 6 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.647 -0.180 17803 435 1 6 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.521 0.565 17803 436 1 6 . 1 1 19 19 TYR H H 19 7.853 7.853 8.297 -0.444 17803 437 1 6 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.447 0.115 17803 438 1 6 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.638 -4.115 17803 439 1 6 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.463 9.504 17803 440 1 6 . 1 1 20 20 CYS H H 20 7.535 7.535 7.991 -0.456 17803 441 1 6 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.415 0.298 17803 442 1 6 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.834 -0.746 17803 443 1 6 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.062 1.868 17803 444 1 6 . 1 1 21 21 ASN H H 21 7.968 7.968 8.101 -0.133 17803 445 1 7 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.621 0.302 17803 446 1 7 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.707 -0.042 17803 447 1 7 . 1 1 2 2 ILE H H 2 8.376 8.376 8.163 0.213 17803 448 1 7 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.641 0.008 17803 449 1 7 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.231 0.464 17803 450 1 7 . 1 1 3 3 VAL H H 3 7.917 7.917 7.772 0.145 17803 451 1 7 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.962 0.232 17803 452 1 7 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.056 -1.135 17803 453 1 7 . 1 1 4 4 GLU H H 4 7.994 7.994 8.699 -0.705 17803 454 1 7 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.156 -0.154 17803 455 1 7 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.575 0.059 17803 456 1 7 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.817 0.398 17803 457 1 7 . 1 1 5 5 GLN H H 5 8.210 8.210 8.296 -0.086 17803 458 1 7 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.088 -0.277 17803 459 1 7 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.656 -4.108 17803 460 1 7 . 1 1 6 6 CYS H H 6 8.138 8.138 7.677 0.461 17803 461 1 7 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.496 0.266 17803 462 1 7 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.048 -3.937 17803 463 1 7 . 1 1 7 7 CYS H H 7 8.228 8.228 8.415 -0.188 17803 464 1 7 . 1 1 8 8 THR HA H 8 4.038 4.038 4.267 -0.229 17803 465 1 7 . 1 1 8 8 THR CA C 8 64.343 64.343 64.036 0.307 17803 466 1 7 . 1 1 8 8 THR CB C 8 68.548 68.548 69.379 -0.831 17803 467 1 7 . 1 1 8 8 THR H H 8 8.010 8.010 8.347 -0.337 17803 468 1 7 . 1 1 9 9 SER HA H 9 4.668 4.668 4.766 -0.098 17803 469 1 7 . 1 1 9 9 SER CA C 9 56.043 56.043 57.223 -1.180 17803 470 1 7 . 1 1 9 9 SER CB C 9 63.877 63.877 65.986 -2.109 17803 471 1 7 . 1 1 9 9 SER H H 9 7.417 7.417 7.555 -0.138 17803 472 1 7 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.185 0.192 17803 473 1 7 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.927 -2.066 17803 474 1 7 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.597 0.822 17803 475 1 7 . 1 1 10 10 ILE H H 10 7.756 7.756 8.192 -0.436 17803 476 1 7 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.963 0.022 17803 477 1 7 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.178 -5.261 17803 478 1 7 . 1 1 11 11 CYS H H 11 9.351 9.351 8.455 0.896 17803 479 1 7 . 1 1 12 12 SER HA H 12 4.553 4.553 4.869 -0.316 17803 480 1 7 . 1 1 12 12 SER CA C 12 56.396 56.396 57.157 -0.761 17803 481 1 7 . 1 1 12 12 SER CB C 12 65.643 65.643 64.459 1.184 17803 482 1 7 . 1 1 12 12 SER H H 12 8.551 8.551 9.002 -0.451 17803 483 1 7 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.003 -0.065 17803 484 1 7 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.715 0.821 17803 485 1 7 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.536 -0.172 17803 486 1 7 . 1 1 13 13 LEU H H 13 8.596 8.596 8.852 -0.256 17803 487 1 7 . 1 1 14 14 TYR HA H 14 4.116 4.116 3.989 0.127 17803 488 1 7 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.029 -0.769 17803 489 1 7 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.929 -0.089 17803 490 1 7 . 1 1 14 14 TYR H H 14 7.477 7.477 8.362 -0.885 17803 491 1 7 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.750 0.187 17803 492 1 7 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.340 -0.079 17803 493 1 7 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.608 0.511 17803 494 1 7 . 1 1 15 15 GLN H H 15 7.521 7.521 7.922 -0.401 17803 495 1 7 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.934 0.168 17803 496 1 7 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.042 1.152 17803 497 1 7 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.044 0.989 17803 498 1 7 . 1 1 16 16 LEU H H 16 7.979 7.979 7.384 0.595 17803 499 1 7 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.887 0.182 17803 500 1 7 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.267 -1.413 17803 501 1 7 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.355 -1.681 17803 502 1 7 . 1 1 17 17 GLU H H 17 8.067 8.067 8.427 -0.360 17803 503 1 7 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.290 0.100 17803 504 1 7 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.278 -0.323 17803 505 1 7 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.175 0.322 17803 506 1 7 . 1 1 18 18 ASN H H 18 7.474 7.474 7.603 -0.129 17803 507 1 7 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.476 -0.097 17803 508 1 7 . 1 1 19 19 TYR CA C 19 59.467 59.467 56.499 2.968 17803 509 1 7 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.514 0.572 17803 510 1 7 . 1 1 19 19 TYR H H 19 7.853 7.853 7.135 0.718 17803 511 1 7 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.438 0.124 17803 512 1 7 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.204 -3.681 17803 513 1 7 . 1 1 20 20 CYS CB C 20 36.967 36.967 24.962 12.005 17803 514 1 7 . 1 1 20 20 CYS H H 20 7.535 7.535 7.798 -0.263 17803 515 1 7 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.783 -0.070 17803 516 1 7 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.472 -0.385 17803 517 1 7 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.079 0.851 17803 518 1 7 . 1 1 21 21 ASN H H 21 7.968 7.968 8.035 -0.067 17803 519 1 8 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.583 0.340 17803 520 1 8 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.092 0.573 17803 521 1 8 . 1 1 2 2 ILE H H 2 8.376 8.376 8.273 0.103 17803 522 1 8 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.678 -0.029 17803 523 1 8 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.360 0.335 17803 524 1 8 . 1 1 3 3 VAL H H 3 7.917 7.917 7.893 0.024 17803 525 1 8 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.931 0.263 17803 526 1 8 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.137 -1.215 17803 527 1 8 . 1 1 4 4 GLU H H 4 7.994 7.994 8.681 -0.687 17803 528 1 8 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.132 -0.130 17803 529 1 8 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.884 -0.250 17803 530 1 8 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.744 0.471 17803 531 1 8 . 1 1 5 5 GLN H H 5 8.210 8.210 8.185 0.025 17803 532 1 8 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.953 -0.142 17803 533 1 8 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.741 -4.193 17803 534 1 8 . 1 1 6 6 CYS H H 6 8.138 8.138 7.920 0.218 17803 535 1 8 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.442 0.320 17803 536 1 8 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.161 -4.050 17803 537 1 8 . 1 1 7 7 CYS H H 7 8.228 8.228 8.536 -0.308 17803 538 1 8 . 1 1 8 8 THR HA H 8 4.038 4.038 4.344 -0.306 17803 539 1 8 . 1 1 8 8 THR CA C 8 64.343 64.343 63.548 0.795 17803 540 1 8 . 1 1 8 8 THR CB C 8 68.548 68.548 69.181 -0.634 17803 541 1 8 . 1 1 8 8 THR H H 8 8.010 8.010 8.274 -0.264 17803 542 1 8 . 1 1 9 9 SER HA H 9 4.668 4.668 4.726 -0.058 17803 543 1 8 . 1 1 9 9 SER CA C 9 56.043 56.043 57.130 -1.087 17803 544 1 8 . 1 1 9 9 SER CB C 9 63.877 63.877 66.084 -2.207 17803 545 1 8 . 1 1 9 9 SER H H 9 7.417 7.417 7.578 -0.161 17803 546 1 8 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.114 0.263 17803 547 1 8 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.009 -2.148 17803 548 1 8 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.468 0.951 17803 549 1 8 . 1 1 10 10 ILE H H 10 7.756 7.756 8.082 -0.326 17803 550 1 8 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.804 0.181 17803 551 1 8 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.887 -5.970 17803 552 1 8 . 1 1 11 11 CYS H H 11 9.351 9.351 8.601 0.750 17803 553 1 8 . 1 1 12 12 SER HA H 12 4.553 4.553 4.788 -0.235 17803 554 1 8 . 1 1 12 12 SER CA C 12 56.396 56.396 56.870 -0.474 17803 555 1 8 . 1 1 12 12 SER CB C 12 65.643 65.643 64.531 1.112 17803 556 1 8 . 1 1 12 12 SER H H 12 8.551 8.551 8.461 0.090 17803 557 1 8 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.815 0.123 17803 558 1 8 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.624 0.912 17803 559 1 8 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.186 0.178 17803 560 1 8 . 1 1 13 13 LEU H H 13 8.596 8.596 8.734 -0.138 17803 561 1 8 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.176 -0.060 17803 562 1 8 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.090 0.169 17803 563 1 8 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.295 0.545 17803 564 1 8 . 1 1 14 14 TYR H H 14 7.477 7.477 7.980 -0.503 17803 565 1 8 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.002 -0.065 17803 566 1 8 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.093 1.168 17803 567 1 8 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.070 0.049 17803 568 1 8 . 1 1 15 15 GLN H H 15 7.521 7.521 7.634 -0.113 17803 569 1 8 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.905 0.197 17803 570 1 8 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.718 0.476 17803 571 1 8 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.840 0.193 17803 572 1 8 . 1 1 16 16 LEU H H 16 7.979 7.979 7.820 0.159 17803 573 1 8 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.046 0.023 17803 574 1 8 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.040 -0.186 17803 575 1 8 . 1 1 17 17 GLU CB C 17 27.674 27.674 30.007 -2.333 17803 576 1 8 . 1 1 17 17 GLU H H 17 8.067 8.067 8.280 -0.213 17803 577 1 8 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.623 -0.233 17803 578 1 8 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.317 0.638 17803 579 1 8 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.767 -0.270 17803 580 1 8 . 1 1 18 18 ASN H H 18 7.474 7.474 7.407 0.067 17803 581 1 8 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.452 -0.073 17803 582 1 8 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.132 1.335 17803 583 1 8 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.918 0.168 17803 584 1 8 . 1 1 19 19 TYR H H 19 7.853 7.853 7.233 0.620 17803 585 1 8 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.564 -0.002 17803 586 1 8 . 1 1 20 20 CYS CA C 20 54.523 54.523 57.024 -2.501 17803 587 1 8 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.183 8.784 17803 588 1 8 . 1 1 20 20 CYS H H 20 7.535 7.535 8.050 -0.515 17803 589 1 8 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.693 0.020 17803 590 1 8 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.922 0.165 17803 591 1 8 . 1 1 21 21 ASN CB C 21 38.930 38.930 36.719 2.211 17803 592 1 8 . 1 1 21 21 ASN H H 21 7.968 7.968 8.820 -0.852 17803 593 1 9 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.594 0.329 17803 594 1 9 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.558 -0.893 17803 595 1 9 . 1 1 2 2 ILE H H 2 8.376 8.376 8.361 0.015 17803 596 1 9 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.699 -0.050 17803 597 1 9 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.615 1.080 17803 598 1 9 . 1 1 3 3 VAL H H 3 7.917 7.917 7.918 -0.001 17803 599 1 9 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.949 0.245 17803 600 1 9 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.098 -1.176 17803 601 1 9 . 1 1 4 4 GLU H H 4 7.994 7.994 8.447 -0.453 17803 602 1 9 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.110 -0.108 17803 603 1 9 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.285 0.349 17803 604 1 9 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.481 0.734 17803 605 1 9 . 1 1 5 5 GLN H H 5 8.210 8.210 8.051 0.159 17803 606 1 9 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.744 0.067 17803 607 1 9 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.174 -4.626 17803 608 1 9 . 1 1 6 6 CYS H H 6 8.138 8.138 7.520 0.618 17803 609 1 9 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.561 0.201 17803 610 1 9 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.856 -3.745 17803 611 1 9 . 1 1 7 7 CYS H H 7 8.228 8.228 8.668 -0.440 17803 612 1 9 . 1 1 8 8 THR HA H 8 4.038 4.038 4.406 -0.368 17803 613 1 9 . 1 1 8 8 THR CA C 8 64.343 64.343 62.376 1.967 17803 614 1 9 . 1 1 8 8 THR CB C 8 68.548 68.548 69.816 -1.268 17803 615 1 9 . 1 1 8 8 THR H H 8 8.010 8.010 7.991 0.019 17803 616 1 9 . 1 1 9 9 SER HA H 9 4.668 4.668 4.670 -0.002 17803 617 1 9 . 1 1 9 9 SER CA C 9 56.043 56.043 57.704 -1.661 17803 618 1 9 . 1 1 9 9 SER CB C 9 63.877 63.877 64.722 -0.845 17803 619 1 9 . 1 1 9 9 SER H H 9 7.417 7.417 8.099 -0.682 17803 620 1 9 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.105 0.272 17803 621 1 9 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.495 -1.634 17803 622 1 9 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.541 0.878 17803 623 1 9 . 1 1 10 10 ILE H H 10 7.756 7.756 8.092 -0.336 17803 624 1 9 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.616 0.369 17803 625 1 9 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.317 -5.400 17803 626 1 9 . 1 1 11 11 CYS H H 11 9.351 9.351 8.591 0.760 17803 627 1 9 . 1 1 12 12 SER HA H 12 4.553 4.553 4.569 -0.016 17803 628 1 9 . 1 1 12 12 SER CA C 12 56.396 56.396 56.949 -0.553 17803 629 1 9 . 1 1 12 12 SER CB C 12 65.643 65.643 64.748 0.895 17803 630 1 9 . 1 1 12 12 SER H H 12 8.551 8.551 8.661 -0.110 17803 631 1 9 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.882 0.056 17803 632 1 9 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.379 0.157 17803 633 1 9 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.175 0.188 17803 634 1 9 . 1 1 13 13 LEU H H 13 8.596 8.596 8.624 -0.028 17803 635 1 9 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.581 -0.465 17803 636 1 9 . 1 1 14 14 TYR CA C 14 60.260 60.260 58.232 2.028 17803 637 1 9 . 1 1 14 14 TYR CB C 14 37.840 37.840 36.683 1.157 17803 638 1 9 . 1 1 14 14 TYR H H 14 7.477 7.477 8.040 -0.563 17803 639 1 9 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.063 -0.126 17803 640 1 9 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.414 0.847 17803 641 1 9 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.907 -0.787 17803 642 1 9 . 1 1 15 15 GLN H H 15 7.521 7.521 7.833 -0.312 17803 643 1 9 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.955 0.147 17803 644 1 9 . 1 1 16 16 LEU CA C 16 58.194 58.194 56.911 1.283 17803 645 1 9 . 1 1 16 16 LEU CB C 16 42.033 42.033 40.782 1.251 17803 646 1 9 . 1 1 16 16 LEU H H 16 7.979 7.979 7.671 0.308 17803 647 1 9 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.997 0.072 17803 648 1 9 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.702 -0.848 17803 649 1 9 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.311 -1.637 17803 650 1 9 . 1 1 17 17 GLU H H 17 8.067 8.067 8.071 -0.004 17803 651 1 9 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.647 -0.257 17803 652 1 9 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.396 -0.441 17803 653 1 9 . 1 1 18 18 ASN CB C 18 38.497 38.497 39.329 -0.832 17803 654 1 9 . 1 1 18 18 ASN H H 18 7.474 7.474 7.567 -0.094 17803 655 1 9 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.464 -0.085 17803 656 1 9 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.955 0.512 17803 657 1 9 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.047 1.039 17803 658 1 9 . 1 1 19 19 TYR H H 19 7.853 7.853 7.254 0.599 17803 659 1 9 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.572 -0.010 17803 660 1 9 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.890 -4.367 17803 661 1 9 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.170 8.797 17803 662 1 9 . 1 1 20 20 CYS H H 20 7.535 7.535 8.153 -0.618 17803 663 1 9 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.923 -0.210 17803 664 1 9 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.180 -0.093 17803 665 1 9 . 1 1 21 21 ASN CB C 21 38.930 38.930 40.132 -1.202 17803 666 1 9 . 1 1 21 21 ASN H H 21 7.968 7.968 8.105 -0.137 17803 667 1 10 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.136 -0.213 17803 668 1 10 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.339 0.326 17803 669 1 10 . 1 1 2 2 ILE H H 2 8.376 8.376 8.401 -0.025 17803 670 1 10 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.780 -0.131 17803 671 1 10 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.079 0.616 17803 672 1 10 . 1 1 3 3 VAL H H 3 7.917 7.917 7.966 -0.049 17803 673 1 10 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.202 -0.008 17803 674 1 10 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.032 -0.110 17803 675 1 10 . 1 1 4 4 GLU H H 4 7.994 7.994 8.781 -0.787 17803 676 1 10 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.327 -0.325 17803 677 1 10 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.358 1.276 17803 678 1 10 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.565 -0.350 17803 679 1 10 . 1 1 5 5 GLN H H 5 8.210 8.210 7.678 0.532 17803 680 1 10 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.019 -0.208 17803 681 1 10 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.652 -5.104 17803 682 1 10 . 1 1 6 6 CYS H H 6 8.138 8.138 7.818 0.320 17803 683 1 10 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.441 0.321 17803 684 1 10 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.384 -4.273 17803 685 1 10 . 1 1 7 7 CYS H H 7 8.228 8.228 8.787 -0.559 17803 686 1 10 . 1 1 8 8 THR HA H 8 4.038 4.038 4.245 -0.207 17803 687 1 10 . 1 1 8 8 THR CA C 8 64.343 64.343 63.602 0.741 17803 688 1 10 . 1 1 8 8 THR CB C 8 68.548 68.548 69.125 -0.577 17803 689 1 10 . 1 1 8 8 THR H H 8 8.010 8.010 8.111 -0.101 17803 690 1 10 . 1 1 9 9 SER HA H 9 4.668 4.668 4.742 -0.074 17803 691 1 10 . 1 1 9 9 SER CA C 9 56.043 56.043 56.733 -0.690 17803 692 1 10 . 1 1 9 9 SER CB C 9 63.877 63.877 64.598 -0.721 17803 693 1 10 . 1 1 9 9 SER H H 9 7.417 7.417 7.518 -0.101 17803 694 1 10 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.111 0.266 17803 695 1 10 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.057 -2.196 17803 696 1 10 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.119 1.300 17803 697 1 10 . 1 1 10 10 ILE H H 10 7.756 7.756 8.250 -0.494 17803 698 1 10 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.228 -0.243 17803 699 1 10 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.941 -5.024 17803 700 1 10 . 1 1 11 11 CYS H H 11 9.351 9.351 8.621 0.730 17803 701 1 10 . 1 1 12 12 SER HA H 12 4.553 4.553 4.820 -0.267 17803 702 1 10 . 1 1 12 12 SER CA C 12 56.396 56.396 57.029 -0.633 17803 703 1 10 . 1 1 12 12 SER CB C 12 65.643 65.643 65.197 0.446 17803 704 1 10 . 1 1 12 12 SER H H 12 8.551 8.551 8.794 -0.243 17803 705 1 10 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.852 0.086 17803 706 1 10 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.601 0.935 17803 707 1 10 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.168 0.196 17803 708 1 10 . 1 1 13 13 LEU H H 13 8.596 8.596 8.782 -0.186 17803 709 1 10 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.522 -0.406 17803 710 1 10 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.546 0.714 17803 711 1 10 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.368 0.472 17803 712 1 10 . 1 1 14 14 TYR H H 14 7.477 7.477 7.633 -0.156 17803 713 1 10 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.204 -0.267 17803 714 1 10 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.010 0.251 17803 715 1 10 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.209 -0.090 17803 716 1 10 . 1 1 15 15 GLN H H 15 7.521 7.521 8.141 -0.620 17803 717 1 10 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.370 -0.268 17803 718 1 10 . 1 1 16 16 LEU CA C 16 58.194 58.194 56.751 1.443 17803 719 1 10 . 1 1 16 16 LEU CB C 16 42.033 42.033 40.703 1.331 17803 720 1 10 . 1 1 16 16 LEU H H 16 7.979 7.979 7.548 0.431 17803 721 1 10 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.997 0.072 17803 722 1 10 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.793 -0.939 17803 723 1 10 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.055 -1.381 17803 724 1 10 . 1 1 17 17 GLU H H 17 8.067 8.067 7.803 0.264 17803 725 1 10 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.381 0.009 17803 726 1 10 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.349 -0.394 17803 727 1 10 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.181 0.316 17803 728 1 10 . 1 1 18 18 ASN H H 18 7.474 7.474 7.560 -0.086 17803 729 1 10 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.561 -0.182 17803 730 1 10 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.214 0.253 17803 731 1 10 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.000 0.086 17803 732 1 10 . 1 1 19 19 TYR H H 19 7.853 7.853 7.386 0.467 17803 733 1 10 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.435 0.127 17803 734 1 10 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.709 -5.186 17803 735 1 10 . 1 1 20 20 CYS CB C 20 36.967 36.967 25.275 11.692 17803 736 1 10 . 1 1 20 20 CYS H H 20 7.535 7.535 8.034 -0.499 17803 737 1 10 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.877 -0.164 17803 738 1 10 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.357 -0.270 17803 739 1 10 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.212 -0.282 17803 740 1 10 . 1 1 21 21 ASN H H 21 7.968 7.968 8.371 -0.403 17803 741 1 11 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.095 -0.172 17803 742 1 11 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.462 1.203 17803 743 1 11 . 1 1 2 2 ILE H H 2 8.376 8.376 8.466 -0.090 17803 744 1 11 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.638 0.011 17803 745 1 11 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.473 0.222 17803 746 1 11 . 1 1 3 3 VAL H H 3 7.917 7.917 7.845 0.072 17803 747 1 11 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.046 0.148 17803 748 1 11 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.200 -0.278 17803 749 1 11 . 1 1 4 4 GLU H H 4 7.994 7.994 8.865 -0.871 17803 750 1 11 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.250 -0.248 17803 751 1 11 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.890 0.744 17803 752 1 11 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.814 0.401 17803 753 1 11 . 1 1 5 5 GLN H H 5 8.210 8.210 8.196 0.014 17803 754 1 11 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.067 -0.256 17803 755 1 11 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.804 -4.256 17803 756 1 11 . 1 1 6 6 CYS H H 6 8.138 8.138 7.672 0.466 17803 757 1 11 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.538 0.224 17803 758 1 11 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.073 -3.962 17803 759 1 11 . 1 1 7 7 CYS H H 7 8.228 8.228 8.593 -0.365 17803 760 1 11 . 1 1 8 8 THR HA H 8 4.038 4.038 4.211 -0.173 17803 761 1 11 . 1 1 8 8 THR CA C 8 64.343 64.343 63.992 0.351 17803 762 1 11 . 1 1 8 8 THR CB C 8 68.548 68.548 69.210 -0.662 17803 763 1 11 . 1 1 8 8 THR H H 8 8.010 8.010 8.247 -0.237 17803 764 1 11 . 1 1 9 9 SER HA H 9 4.668 4.668 4.733 -0.065 17803 765 1 11 . 1 1 9 9 SER CA C 9 56.043 56.043 56.755 -0.712 17803 766 1 11 . 1 1 9 9 SER CB C 9 63.877 63.877 65.035 -1.158 17803 767 1 11 . 1 1 9 9 SER H H 9 7.417 7.417 7.570 -0.153 17803 768 1 11 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.147 0.230 17803 769 1 11 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.300 -2.439 17803 770 1 11 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.055 1.364 17803 771 1 11 . 1 1 10 10 ILE H H 10 7.756 7.756 8.160 -0.404 17803 772 1 11 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.825 0.160 17803 773 1 11 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.303 -3.386 17803 774 1 11 . 1 1 11 11 CYS H H 11 9.351 9.351 8.269 1.082 17803 775 1 11 . 1 1 12 12 SER HA H 12 4.553 4.553 4.715 -0.162 17803 776 1 11 . 1 1 12 12 SER CA C 12 56.396 56.396 56.807 -0.411 17803 777 1 11 . 1 1 12 12 SER CB C 12 65.643 65.643 64.531 1.113 17803 778 1 11 . 1 1 12 12 SER H H 12 8.551 8.551 8.613 -0.062 17803 779 1 11 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.044 -0.106 17803 780 1 11 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.439 1.097 17803 781 1 11 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.753 -0.389 17803 782 1 11 . 1 1 13 13 LEU H H 13 8.596 8.596 8.783 -0.187 17803 783 1 11 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.169 -0.053 17803 784 1 11 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.554 -0.294 17803 785 1 11 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.419 -0.579 17803 786 1 11 . 1 1 14 14 TYR H H 14 7.477 7.477 7.886 -0.409 17803 787 1 11 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.752 0.185 17803 788 1 11 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.356 -0.095 17803 789 1 11 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.661 0.458 17803 790 1 11 . 1 1 15 15 GLN H H 15 7.521 7.521 7.376 0.145 17803 791 1 11 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.629 0.473 17803 792 1 11 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.368 0.826 17803 793 1 11 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.608 0.425 17803 794 1 11 . 1 1 16 16 LEU H H 16 7.979 7.979 7.432 0.547 17803 795 1 11 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.067 0.002 17803 796 1 11 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.195 -0.341 17803 797 1 11 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.479 -1.805 17803 798 1 11 . 1 1 17 17 GLU H H 17 8.067 8.067 8.165 -0.098 17803 799 1 11 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.539 -0.149 17803 800 1 11 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.735 0.220 17803 801 1 11 . 1 1 18 18 ASN CB C 18 38.497 38.497 39.502 -1.005 17803 802 1 11 . 1 1 18 18 ASN H H 18 7.474 7.474 7.545 -0.071 17803 803 1 11 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.434 -0.055 17803 804 1 11 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.585 1.882 17803 805 1 11 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.987 0.098 17803 806 1 11 . 1 1 19 19 TYR H H 19 7.853 7.853 7.827 0.026 17803 807 1 11 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.481 0.081 17803 808 1 11 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.007 -3.484 17803 809 1 11 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.936 9.031 17803 810 1 11 . 1 1 20 20 CYS H H 20 7.535 7.535 7.651 -0.116 17803 811 1 11 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.513 0.200 17803 812 1 11 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.081 0.006 17803 813 1 11 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.045 0.885 17803 814 1 11 . 1 1 21 21 ASN H H 21 7.968 7.968 8.748 -0.780 17803 815 1 12 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.510 0.413 17803 816 1 12 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.794 -0.129 17803 817 1 12 . 1 1 2 2 ILE H H 2 8.376 8.376 8.160 0.216 17803 818 1 12 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.678 -0.029 17803 819 1 12 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.166 0.529 17803 820 1 12 . 1 1 3 3 VAL H H 3 7.917 7.917 7.773 0.144 17803 821 1 12 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.142 0.052 17803 822 1 12 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.002 -1.080 17803 823 1 12 . 1 1 4 4 GLU H H 4 7.994 7.994 8.620 -0.626 17803 824 1 12 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.209 -0.207 17803 825 1 12 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.358 0.276 17803 826 1 12 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.891 0.324 17803 827 1 12 . 1 1 5 5 GLN H H 5 8.210 8.210 7.890 0.320 17803 828 1 12 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.852 -0.041 17803 829 1 12 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.664 -4.116 17803 830 1 12 . 1 1 6 6 CYS H H 6 8.138 8.138 7.639 0.499 17803 831 1 12 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.449 0.313 17803 832 1 12 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.107 -3.996 17803 833 1 12 . 1 1 7 7 CYS H H 7 8.228 8.228 8.886 -0.658 17803 834 1 12 . 1 1 8 8 THR HA H 8 4.038 4.038 4.380 -0.342 17803 835 1 12 . 1 1 8 8 THR CA C 8 64.343 64.343 63.459 0.885 17803 836 1 12 . 1 1 8 8 THR CB C 8 68.548 68.548 68.978 -0.430 17803 837 1 12 . 1 1 8 8 THR H H 8 8.010 8.010 8.030 -0.020 17803 838 1 12 . 1 1 9 9 SER HA H 9 4.668 4.668 4.791 -0.123 17803 839 1 12 . 1 1 9 9 SER CA C 9 56.043 56.043 56.752 -0.709 17803 840 1 12 . 1 1 9 9 SER CB C 9 63.877 63.877 64.753 -0.876 17803 841 1 12 . 1 1 9 9 SER H H 9 7.417 7.417 7.529 -0.112 17803 842 1 12 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.270 0.107 17803 843 1 12 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.210 -1.349 17803 844 1 12 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.818 0.601 17803 845 1 12 . 1 1 10 10 ILE H H 10 7.756 7.756 8.231 -0.475 17803 846 1 12 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.837 0.148 17803 847 1 12 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.184 -4.267 17803 848 1 12 . 1 1 11 11 CYS H H 11 9.351 9.351 8.273 1.078 17803 849 1 12 . 1 1 12 12 SER HA H 12 4.553 4.553 4.845 -0.292 17803 850 1 12 . 1 1 12 12 SER CA C 12 56.396 56.396 56.609 -0.213 17803 851 1 12 . 1 1 12 12 SER CB C 12 65.643 65.643 64.431 1.212 17803 852 1 12 . 1 1 12 12 SER H H 12 8.551 8.551 8.277 0.274 17803 853 1 12 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.021 -0.083 17803 854 1 12 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.814 0.722 17803 855 1 12 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.846 -0.482 17803 856 1 12 . 1 1 13 13 LEU H H 13 8.596 8.596 8.901 -0.305 17803 857 1 12 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.009 0.107 17803 858 1 12 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.264 -1.004 17803 859 1 12 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.467 -0.627 17803 860 1 12 . 1 1 14 14 TYR H H 14 7.477 7.477 7.829 -0.352 17803 861 1 12 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.908 0.029 17803 862 1 12 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.430 0.831 17803 863 1 12 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.200 0.919 17803 864 1 12 . 1 1 15 15 GLN H H 15 7.521 7.521 7.568 -0.047 17803 865 1 12 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.685 0.417 17803 866 1 12 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.493 0.701 17803 867 1 12 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.794 0.239 17803 868 1 12 . 1 1 16 16 LEU H H 16 7.979 7.979 8.272 -0.293 17803 869 1 12 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.966 0.103 17803 870 1 12 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.691 -0.837 17803 871 1 12 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.359 -1.685 17803 872 1 12 . 1 1 17 17 GLU H H 17 8.067 8.067 8.144 -0.077 17803 873 1 12 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.344 0.046 17803 874 1 12 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.810 0.145 17803 875 1 12 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.004 0.493 17803 876 1 12 . 1 1 18 18 ASN H H 18 7.474 7.474 7.288 0.186 17803 877 1 12 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.460 -0.081 17803 878 1 12 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.380 2.087 17803 879 1 12 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.912 0.174 17803 880 1 12 . 1 1 19 19 TYR H H 19 7.853 7.853 7.085 0.768 17803 881 1 12 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.433 0.129 17803 882 1 12 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.615 -4.092 17803 883 1 12 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.715 9.252 17803 884 1 12 . 1 1 20 20 CYS H H 20 7.535 7.535 7.637 -0.102 17803 885 1 12 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.638 0.075 17803 886 1 12 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.424 -0.337 17803 887 1 12 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.857 0.073 17803 888 1 12 . 1 1 21 21 ASN H H 21 7.968 7.968 8.450 -0.482 17803 889 1 13 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.597 0.326 17803 890 1 13 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.469 0.196 17803 891 1 13 . 1 1 2 2 ILE H H 2 8.376 8.376 8.131 0.245 17803 892 1 13 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.693 -0.044 17803 893 1 13 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.804 0.891 17803 894 1 13 . 1 1 3 3 VAL H H 3 7.917 7.917 8.089 -0.172 17803 895 1 13 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.205 -0.011 17803 896 1 13 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.479 -0.557 17803 897 1 13 . 1 1 4 4 GLU H H 4 7.994 7.994 8.715 -0.721 17803 898 1 13 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.472 -0.470 17803 899 1 13 . 1 1 5 5 GLN CA C 5 58.634 58.634 56.949 1.685 17803 900 1 13 . 1 1 5 5 GLN CB C 5 29.215 29.215 30.703 -1.488 17803 901 1 13 . 1 1 5 5 GLN H H 5 8.210 8.210 7.821 0.389 17803 902 1 13 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.936 -0.125 17803 903 1 13 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.150 -5.602 17803 904 1 13 . 1 1 6 6 CYS H H 6 8.138 8.138 8.338 -0.200 17803 905 1 13 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.544 0.218 17803 906 1 13 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.948 -3.837 17803 907 1 13 . 1 1 7 7 CYS H H 7 8.228 8.228 8.648 -0.420 17803 908 1 13 . 1 1 8 8 THR HA H 8 4.038 4.038 4.175 -0.137 17803 909 1 13 . 1 1 8 8 THR CA C 8 64.343 64.343 64.327 0.016 17803 910 1 13 . 1 1 8 8 THR CB C 8 68.548 68.548 69.030 -0.482 17803 911 1 13 . 1 1 8 8 THR H H 8 8.010 8.010 7.900 0.110 17803 912 1 13 . 1 1 9 9 SER HA H 9 4.668 4.668 4.677 -0.009 17803 913 1 13 . 1 1 9 9 SER CA C 9 56.043 56.043 56.649 -0.606 17803 914 1 13 . 1 1 9 9 SER CB C 9 63.877 63.877 64.936 -1.059 17803 915 1 13 . 1 1 9 9 SER H H 9 7.417 7.417 7.427 -0.010 17803 916 1 13 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.171 0.206 17803 917 1 13 . 1 1 10 10 ILE CA C 10 59.861 59.861 62.172 -2.311 17803 918 1 13 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.322 1.097 17803 919 1 13 . 1 1 10 10 ILE H H 10 7.756 7.756 8.189 -0.433 17803 920 1 13 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.148 -0.163 17803 921 1 13 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.476 -3.559 17803 922 1 13 . 1 1 11 11 CYS H H 11 9.351 9.351 8.323 1.028 17803 923 1 13 . 1 1 12 12 SER HA H 12 4.553 4.553 4.893 -0.340 17803 924 1 13 . 1 1 12 12 SER CA C 12 56.396 56.396 56.216 0.180 17803 925 1 13 . 1 1 12 12 SER CB C 12 65.643 65.643 64.749 0.894 17803 926 1 13 . 1 1 12 12 SER H H 12 8.551 8.551 8.893 -0.342 17803 927 1 13 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.959 -0.021 17803 928 1 13 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.309 1.226 17803 929 1 13 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.380 -0.016 17803 930 1 13 . 1 1 13 13 LEU H H 13 8.596 8.596 8.743 -0.147 17803 931 1 13 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.622 -0.506 17803 932 1 13 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.607 0.653 17803 933 1 13 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.711 0.130 17803 934 1 13 . 1 1 14 14 TYR H H 14 7.477 7.477 7.464 0.013 17803 935 1 13 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.288 -0.351 17803 936 1 13 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.944 0.317 17803 937 1 13 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.447 -0.328 17803 938 1 13 . 1 1 15 15 GLN H H 15 7.521 7.521 7.926 -0.405 17803 939 1 13 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.279 -0.177 17803 940 1 13 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.766 0.428 17803 941 1 13 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.480 0.553 17803 942 1 13 . 1 1 16 16 LEU H H 16 7.979 7.979 7.860 0.119 17803 943 1 13 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.997 0.072 17803 944 1 13 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.830 -0.976 17803 945 1 13 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.086 -1.412 17803 946 1 13 . 1 1 17 17 GLU H H 17 8.067 8.067 7.943 0.124 17803 947 1 13 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.356 0.034 17803 948 1 13 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.592 0.363 17803 949 1 13 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.207 0.290 17803 950 1 13 . 1 1 18 18 ASN H H 18 7.474 7.474 7.840 -0.366 17803 951 1 13 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.665 -0.286 17803 952 1 13 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.866 0.601 17803 953 1 13 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.843 -0.757 17803 954 1 13 . 1 1 19 19 TYR H H 19 7.853 7.853 7.559 0.294 17803 955 1 13 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.611 -0.049 17803 956 1 13 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.190 -4.667 17803 957 1 13 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.006 8.961 17803 958 1 13 . 1 1 20 20 CYS H H 20 7.535 7.535 8.405 -0.870 17803 959 1 13 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.840 -0.127 17803 960 1 13 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.222 -0.135 17803 961 1 13 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.603 -0.673 17803 962 1 13 . 1 1 21 21 ASN H H 21 7.968 7.968 8.234 -0.266 17803 963 1 14 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.080 -0.157 17803 964 1 14 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.587 1.078 17803 965 1 14 . 1 1 2 2 ILE H H 2 8.376 8.376 8.781 -0.405 17803 966 1 14 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.701 -0.052 17803 967 1 14 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.256 0.439 17803 968 1 14 . 1 1 3 3 VAL H H 3 7.917 7.917 7.937 -0.020 17803 969 1 14 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.050 0.144 17803 970 1 14 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.249 -0.327 17803 971 1 14 . 1 1 4 4 GLU H H 4 7.994 7.994 8.906 -0.912 17803 972 1 14 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.402 -0.400 17803 973 1 14 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.039 1.595 17803 974 1 14 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.286 -0.071 17803 975 1 14 . 1 1 5 5 GLN H H 5 8.210 8.210 7.669 0.541 17803 976 1 14 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.963 -0.152 17803 977 1 14 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.774 -4.226 17803 978 1 14 . 1 1 6 6 CYS H H 6 8.138 8.138 7.671 0.467 17803 979 1 14 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.504 0.258 17803 980 1 14 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.479 -4.368 17803 981 1 14 . 1 1 7 7 CYS H H 7 8.228 8.228 8.816 -0.588 17803 982 1 14 . 1 1 8 8 THR HA H 8 4.038 4.038 4.396 -0.358 17803 983 1 14 . 1 1 8 8 THR CA C 8 64.343 64.343 62.909 1.434 17803 984 1 14 . 1 1 8 8 THR CB C 8 68.548 68.548 69.259 -0.711 17803 985 1 14 . 1 1 8 8 THR H H 8 8.010 8.010 8.220 -0.210 17803 986 1 14 . 1 1 9 9 SER HA H 9 4.668 4.668 4.507 0.161 17803 987 1 14 . 1 1 9 9 SER CA C 9 56.043 56.043 58.137 -2.094 17803 988 1 14 . 1 1 9 9 SER CB C 9 63.877 63.877 64.316 -0.439 17803 989 1 14 . 1 1 9 9 SER H H 9 7.417 7.417 8.183 -0.766 17803 990 1 14 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.109 0.268 17803 991 1 14 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.789 -1.928 17803 992 1 14 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.681 0.738 17803 993 1 14 . 1 1 10 10 ILE H H 10 7.756 7.756 8.056 -0.300 17803 994 1 14 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.865 0.120 17803 995 1 14 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.100 -5.183 17803 996 1 14 . 1 1 11 11 CYS H H 11 9.351 9.351 8.455 0.896 17803 997 1 14 . 1 1 12 12 SER HA H 12 4.553 4.553 4.941 -0.388 17803 998 1 14 . 1 1 12 12 SER CA C 12 56.396 56.396 56.646 -0.250 17803 999 1 14 . 1 1 12 12 SER CB C 12 65.643 65.643 64.686 0.957 17803 1000 1 14 . 1 1 12 12 SER H H 12 8.551 8.551 8.846 -0.295 17803 1001 1 14 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.135 -0.197 17803 1002 1 14 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.745 0.791 17803 1003 1 14 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.417 -0.053 17803 1004 1 14 . 1 1 13 13 LEU H H 13 8.596 8.596 8.800 -0.204 17803 1005 1 14 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.071 0.045 17803 1006 1 14 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.061 -0.801 17803 1007 1 14 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.538 -0.698 17803 1008 1 14 . 1 1 14 14 TYR H H 14 7.477 7.477 7.838 -0.361 17803 1009 1 14 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.866 0.071 17803 1010 1 14 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.958 0.304 17803 1011 1 14 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.113 0.006 17803 1012 1 14 . 1 1 15 15 GLN H H 15 7.521 7.521 7.553 -0.032 17803 1013 1 14 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.845 0.257 17803 1014 1 14 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.871 0.323 17803 1015 1 14 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.891 0.142 17803 1016 1 14 . 1 1 16 16 LEU H H 16 7.979 7.979 8.432 -0.453 17803 1017 1 14 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.952 0.117 17803 1018 1 14 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.505 -0.651 17803 1019 1 14 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.496 -1.822 17803 1020 1 14 . 1 1 17 17 GLU H H 17 8.067 8.067 7.989 0.078 17803 1021 1 14 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.411 -0.021 17803 1022 1 14 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.172 -0.217 17803 1023 1 14 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.269 0.228 17803 1024 1 14 . 1 1 18 18 ASN H H 18 7.474 7.474 7.309 0.165 17803 1025 1 14 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.411 -0.032 17803 1026 1 14 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.350 1.117 17803 1027 1 14 . 1 1 19 19 TYR CB C 19 38.086 38.086 36.928 1.158 17803 1028 1 14 . 1 1 19 19 TYR H H 19 7.853 7.853 7.196 0.657 17803 1029 1 14 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.301 0.261 17803 1030 1 14 . 1 1 20 20 CYS CA C 20 54.523 54.523 60.709 -6.186 17803 1031 1 14 . 1 1 20 20 CYS CB C 20 36.967 36.967 25.814 11.152 17803 1032 1 14 . 1 1 20 20 CYS H H 20 7.535 7.535 7.967 -0.432 17803 1033 1 14 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.790 -0.077 17803 1034 1 14 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.900 0.187 17803 1035 1 14 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.847 0.083 17803 1036 1 14 . 1 1 21 21 ASN H H 21 7.968 7.968 7.771 0.197 17803 1037 1 15 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.455 0.468 17803 1038 1 15 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.914 -1.249 17803 1039 1 15 . 1 1 2 2 ILE H H 2 8.376 8.376 8.188 0.188 17803 1040 1 15 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.602 0.047 17803 1041 1 15 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.521 1.174 17803 1042 1 15 . 1 1 3 3 VAL H H 3 7.917 7.917 8.068 -0.151 17803 1043 1 15 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.989 0.205 17803 1044 1 15 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.099 -1.177 17803 1045 1 15 . 1 1 4 4 GLU H H 4 7.994 7.994 8.425 -0.431 17803 1046 1 15 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.151 -0.149 17803 1047 1 15 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.589 0.045 17803 1048 1 15 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.530 0.685 17803 1049 1 15 . 1 1 5 5 GLN H H 5 8.210 8.210 8.050 0.160 17803 1050 1 15 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.696 0.115 17803 1051 1 15 . 1 1 6 6 CYS CA C 6 54.548 54.548 60.160 -5.612 17803 1052 1 15 . 1 1 6 6 CYS H H 6 8.138 8.138 7.890 0.248 17803 1053 1 15 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.428 0.334 17803 1054 1 15 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.855 -3.744 17803 1055 1 15 . 1 1 7 7 CYS H H 7 8.228 8.228 8.777 -0.549 17803 1056 1 15 . 1 1 8 8 THR HA H 8 4.038 4.038 4.448 -0.410 17803 1057 1 15 . 1 1 8 8 THR CA C 8 64.343 64.343 62.881 1.462 17803 1058 1 15 . 1 1 8 8 THR CB C 8 68.548 68.548 69.772 -1.224 17803 1059 1 15 . 1 1 8 8 THR H H 8 8.010 8.010 7.906 0.104 17803 1060 1 15 . 1 1 9 9 SER HA H 9 4.668 4.668 4.686 -0.018 17803 1061 1 15 . 1 1 9 9 SER CA C 9 56.043 56.043 58.083 -2.040 17803 1062 1 15 . 1 1 9 9 SER CB C 9 63.877 63.877 64.497 -0.620 17803 1063 1 15 . 1 1 9 9 SER H H 9 7.417 7.417 7.874 -0.457 17803 1064 1 15 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.321 0.056 17803 1065 1 15 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.312 -0.451 17803 1066 1 15 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.891 0.528 17803 1067 1 15 . 1 1 10 10 ILE H H 10 7.756 7.756 8.055 -0.299 17803 1068 1 15 . 1 1 11 11 CYS HA H 11 4.985 4.985 5.212 -0.227 17803 1069 1 15 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.221 -3.304 17803 1070 1 15 . 1 1 11 11 CYS H H 11 9.351 9.351 8.256 1.095 17803 1071 1 15 . 1 1 12 12 SER HA H 12 4.553 4.553 4.889 -0.336 17803 1072 1 15 . 1 1 12 12 SER CA C 12 56.396 56.396 56.135 0.261 17803 1073 1 15 . 1 1 12 12 SER CB C 12 65.643 65.643 64.530 1.113 17803 1074 1 15 . 1 1 12 12 SER H H 12 8.551 8.551 8.636 -0.085 17803 1075 1 15 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.019 -0.081 17803 1076 1 15 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.662 0.874 17803 1077 1 15 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.583 -0.219 17803 1078 1 15 . 1 1 13 13 LEU H H 13 8.596 8.596 8.804 -0.208 17803 1079 1 15 . 1 1 14 14 TYR HA H 14 4.116 4.116 3.970 0.146 17803 1080 1 15 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.986 -1.726 17803 1081 1 15 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.291 -0.451 17803 1082 1 15 . 1 1 14 14 TYR H H 14 7.477 7.477 7.914 -0.437 17803 1083 1 15 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.685 0.252 17803 1084 1 15 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.469 -0.208 17803 1085 1 15 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.526 0.592 17803 1086 1 15 . 1 1 15 15 GLN H H 15 7.521 7.521 7.397 0.124 17803 1087 1 15 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.560 0.542 17803 1088 1 15 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.835 0.359 17803 1089 1 15 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.747 0.286 17803 1090 1 15 . 1 1 16 16 LEU H H 16 7.979 7.979 8.138 -0.159 17803 1091 1 15 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.946 0.123 17803 1092 1 15 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.037 -1.183 17803 1093 1 15 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.494 -1.820 17803 1094 1 15 . 1 1 17 17 GLU H H 17 8.067 8.067 8.214 -0.147 17803 1095 1 15 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.369 0.021 17803 1096 1 15 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.199 -0.244 17803 1097 1 15 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.511 -0.014 17803 1098 1 15 . 1 1 18 18 ASN H H 18 7.474 7.474 7.482 -0.008 17803 1099 1 15 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.450 -0.071 17803 1100 1 15 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.150 2.317 17803 1101 1 15 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.712 0.374 17803 1102 1 15 . 1 1 19 19 TYR H H 19 7.853 7.853 7.313 0.540 17803 1103 1 15 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.454 0.108 17803 1104 1 15 . 1 1 20 20 CYS CA C 20 54.523 54.523 59.143 -4.620 17803 1105 1 15 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.499 9.468 17803 1106 1 15 . 1 1 20 20 CYS H H 20 7.535 7.535 7.736 -0.201 17803 1107 1 15 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.831 -0.118 17803 1108 1 15 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.502 0.585 17803 1109 1 15 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.345 1.585 17803 1110 1 15 . 1 1 21 21 ASN H H 21 7.968 7.968 8.744 -0.776 17803 1111 1 16 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.868 0.055 17803 1112 1 16 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.097 1.567 17803 1113 1 16 . 1 1 2 2 ILE H H 2 8.376 8.376 8.304 0.072 17803 1114 1 16 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.693 -0.044 17803 1115 1 16 . 1 1 3 3 VAL CB C 3 31.695 31.695 30.712 0.983 17803 1116 1 16 . 1 1 3 3 VAL H H 3 7.917 7.917 8.054 -0.137 17803 1117 1 16 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.085 0.109 17803 1118 1 16 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.132 -0.210 17803 1119 1 16 . 1 1 4 4 GLU H H 4 7.994 7.994 8.576 -0.582 17803 1120 1 16 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.207 -0.205 17803 1121 1 16 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.234 0.400 17803 1122 1 16 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.372 0.843 17803 1123 1 16 . 1 1 5 5 GLN H H 5 8.210 8.210 8.709 -0.499 17803 1124 1 16 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.627 0.184 17803 1125 1 16 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.243 -4.695 17803 1126 1 16 . 1 1 6 6 CYS H H 6 8.138 8.138 7.614 0.524 17803 1127 1 16 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.669 0.093 17803 1128 1 16 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.522 -3.411 17803 1129 1 16 . 1 1 7 7 CYS H H 7 8.228 8.228 8.572 -0.344 17803 1130 1 16 . 1 1 8 8 THR HA H 8 4.038 4.038 4.456 -0.418 17803 1131 1 16 . 1 1 8 8 THR CA C 8 64.343 64.343 62.683 1.660 17803 1132 1 16 . 1 1 8 8 THR CB C 8 68.548 68.548 69.819 -1.270 17803 1133 1 16 . 1 1 8 8 THR H H 8 8.010 8.010 7.943 0.067 17803 1134 1 16 . 1 1 9 9 SER HA H 9 4.668 4.668 4.600 0.068 17803 1135 1 16 . 1 1 9 9 SER CA C 9 56.043 56.043 58.715 -2.672 17803 1136 1 16 . 1 1 9 9 SER CB C 9 63.877 63.877 64.232 -0.355 17803 1137 1 16 . 1 1 9 9 SER H H 9 7.417 7.417 7.839 -0.422 17803 1138 1 16 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.151 0.226 17803 1139 1 16 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.079 -1.218 17803 1140 1 16 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.271 1.148 17803 1141 1 16 . 1 1 10 10 ILE H H 10 7.756 7.756 8.002 -0.246 17803 1142 1 16 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.781 0.204 17803 1143 1 16 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.367 -5.450 17803 1144 1 16 . 1 1 11 11 CYS H H 11 9.351 9.351 8.530 0.821 17803 1145 1 16 . 1 1 12 12 SER HA H 12 4.553 4.553 4.756 -0.203 17803 1146 1 16 . 1 1 12 12 SER CA C 12 56.396 56.396 56.783 -0.387 17803 1147 1 16 . 1 1 12 12 SER CB C 12 65.643 65.643 65.476 0.167 17803 1148 1 16 . 1 1 12 12 SER H H 12 8.551 8.551 8.153 0.398 17803 1149 1 16 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.020 -0.082 17803 1150 1 16 . 1 1 13 13 LEU CA C 13 58.536 58.536 58.030 0.506 17803 1151 1 16 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.368 -0.004 17803 1152 1 16 . 1 1 13 13 LEU H H 13 8.596 8.596 8.750 -0.154 17803 1153 1 16 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.027 0.089 17803 1154 1 16 . 1 1 14 14 TYR CA C 14 60.260 60.260 61.255 -0.995 17803 1155 1 16 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.098 -0.258 17803 1156 1 16 . 1 1 14 14 TYR H H 14 7.477 7.477 8.480 -1.003 17803 1157 1 16 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.695 0.242 17803 1158 1 16 . 1 1 15 15 GLN CA C 15 58.261 58.261 58.508 -0.246 17803 1159 1 16 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.672 0.447 17803 1160 1 16 . 1 1 15 15 GLN H H 15 7.521 7.521 7.477 0.044 17803 1161 1 16 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.541 0.561 17803 1162 1 16 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.908 0.286 17803 1163 1 16 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.678 0.355 17803 1164 1 16 . 1 1 16 16 LEU H H 16 7.979 7.979 8.306 -0.327 17803 1165 1 16 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.907 0.162 17803 1166 1 16 . 1 1 17 17 GLU CA C 17 57.854 57.854 59.394 -1.540 17803 1167 1 16 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.439 -1.765 17803 1168 1 16 . 1 1 17 17 GLU H H 17 8.067 8.067 8.180 -0.113 17803 1169 1 16 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.337 0.053 17803 1170 1 16 . 1 1 18 18 ASN CA C 18 54.955 54.955 56.255 -1.300 17803 1171 1 16 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.329 0.168 17803 1172 1 16 . 1 1 18 18 ASN H H 18 7.474 7.474 7.539 -0.065 17803 1173 1 16 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.376 0.003 17803 1174 1 16 . 1 1 19 19 TYR CA C 19 59.467 59.467 59.938 -0.471 17803 1175 1 16 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.372 0.714 17803 1176 1 16 . 1 1 19 19 TYR H H 19 7.853 7.853 8.118 -0.265 17803 1177 1 16 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.357 0.205 17803 1178 1 16 . 1 1 20 20 CYS CA C 20 54.523 54.523 60.117 -5.594 17803 1179 1 16 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.483 9.483 17803 1180 1 16 . 1 1 20 20 CYS H H 20 7.535 7.535 8.009 -0.474 17803 1181 1 16 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.701 0.012 17803 1182 1 16 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.725 -0.638 17803 1183 1 16 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.972 -0.042 17803 1184 1 16 . 1 1 21 21 ASN H H 21 7.968 7.968 8.368 -0.400 17803 1185 1 17 . 1 1 2 2 ILE HA H 2 3.923 3.923 4.138 -0.215 17803 1186 1 17 . 1 1 2 2 ILE CA C 2 62.665 62.665 61.166 1.500 17803 1187 1 17 . 1 1 2 2 ILE H H 2 8.376 8.376 8.068 0.308 17803 1188 1 17 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.769 -0.120 17803 1189 1 17 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.316 0.379 17803 1190 1 17 . 1 1 3 3 VAL H H 3 7.917 7.917 7.879 0.038 17803 1191 1 17 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.052 0.142 17803 1192 1 17 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.304 -0.382 17803 1193 1 17 . 1 1 4 4 GLU H H 4 7.994 7.994 8.570 -0.576 17803 1194 1 17 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.183 -0.181 17803 1195 1 17 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.414 0.220 17803 1196 1 17 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.248 0.967 17803 1197 1 17 . 1 1 5 5 GLN H H 5 8.210 8.210 8.720 -0.510 17803 1198 1 17 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.727 0.084 17803 1199 1 17 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.762 -5.214 17803 1200 1 17 . 1 1 6 6 CYS H H 6 8.138 8.138 7.754 0.384 17803 1201 1 17 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.530 0.232 17803 1202 1 17 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.922 -3.811 17803 1203 1 17 . 1 1 7 7 CYS H H 7 8.228 8.228 8.724 -0.496 17803 1204 1 17 . 1 1 8 8 THR HA H 8 4.038 4.038 4.364 -0.326 17803 1205 1 17 . 1 1 8 8 THR CA C 8 64.343 64.343 62.533 1.810 17803 1206 1 17 . 1 1 8 8 THR CB C 8 68.548 68.548 69.706 -1.158 17803 1207 1 17 . 1 1 8 8 THR H H 8 8.010 8.010 7.973 0.037 17803 1208 1 17 . 1 1 9 9 SER HA H 9 4.668 4.668 4.616 0.052 17803 1209 1 17 . 1 1 9 9 SER CA C 9 56.043 56.043 58.072 -2.030 17803 1210 1 17 . 1 1 9 9 SER CB C 9 63.877 63.877 64.667 -0.790 17803 1211 1 17 . 1 1 9 9 SER H H 9 7.417 7.417 7.934 -0.517 17803 1212 1 17 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.378 -0.001 17803 1213 1 17 . 1 1 10 10 ILE CA C 10 59.861 59.861 59.984 -0.123 17803 1214 1 17 . 1 1 10 10 ILE CB C 10 39.419 39.419 39.910 -0.491 17803 1215 1 17 . 1 1 10 10 ILE H H 10 7.756 7.756 8.127 -0.371 17803 1216 1 17 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.825 0.160 17803 1217 1 17 . 1 1 11 11 CYS CA C 11 52.917 52.917 58.896 -5.979 17803 1218 1 17 . 1 1 11 11 CYS H H 11 9.351 9.351 8.481 0.870 17803 1219 1 17 . 1 1 12 12 SER HA H 12 4.553 4.553 4.896 -0.343 17803 1220 1 17 . 1 1 12 12 SER CA C 12 56.396 56.396 56.004 0.392 17803 1221 1 17 . 1 1 12 12 SER CB C 12 65.643 65.643 64.157 1.486 17803 1222 1 17 . 1 1 12 12 SER H H 12 8.551 8.551 8.347 0.204 17803 1223 1 17 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.054 -0.116 17803 1224 1 17 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.427 1.109 17803 1225 1 17 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.606 -0.242 17803 1226 1 17 . 1 1 13 13 LEU H H 13 8.596 8.596 8.829 -0.233 17803 1227 1 17 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.076 0.040 17803 1228 1 17 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.965 -0.705 17803 1229 1 17 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.249 -0.409 17803 1230 1 17 . 1 1 14 14 TYR H H 14 7.477 7.477 8.074 -0.597 17803 1231 1 17 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.701 0.236 17803 1232 1 17 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.398 0.863 17803 1233 1 17 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.928 0.191 17803 1234 1 17 . 1 1 15 15 GLN H H 15 7.521 7.521 7.610 -0.089 17803 1235 1 17 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.104 -0.002 17803 1236 1 17 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.573 0.621 17803 1237 1 17 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.800 0.233 17803 1238 1 17 . 1 1 16 16 LEU H H 16 7.979 7.979 7.746 0.233 17803 1239 1 17 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.282 -0.213 17803 1240 1 17 . 1 1 17 17 GLU CA C 17 57.854 57.854 56.498 1.356 17803 1241 1 17 . 1 1 17 17 GLU CB C 17 27.674 27.674 30.085 -2.411 17803 1242 1 17 . 1 1 17 17 GLU H H 17 8.067 8.067 7.724 0.343 17803 1243 1 17 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.487 -0.097 17803 1244 1 17 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.657 0.298 17803 1245 1 17 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.691 -0.194 17803 1246 1 17 . 1 1 18 18 ASN H H 18 7.474 7.474 7.530 -0.056 17803 1247 1 17 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.315 0.064 17803 1248 1 17 . 1 1 19 19 TYR CA C 19 59.467 59.467 60.212 -0.745 17803 1249 1 17 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.372 0.714 17803 1250 1 17 . 1 1 19 19 TYR H H 19 7.853 7.853 7.527 0.326 17803 1251 1 17 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.470 0.092 17803 1252 1 17 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.951 -4.428 17803 1253 1 17 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.247 9.720 17803 1254 1 17 . 1 1 20 20 CYS H H 20 7.535 7.535 8.337 -0.802 17803 1255 1 17 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.785 -0.072 17803 1256 1 17 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.251 -0.164 17803 1257 1 17 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.403 -0.473 17803 1258 1 17 . 1 1 21 21 ASN H H 21 7.968 7.968 7.872 0.096 17803 1259 1 18 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.226 0.697 17803 1260 1 18 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.969 -0.304 17803 1261 1 18 . 1 1 2 2 ILE H H 2 8.376 8.376 8.541 -0.165 17803 1262 1 18 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.637 0.012 17803 1263 1 18 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.331 0.364 17803 1264 1 18 . 1 1 3 3 VAL H H 3 7.917 7.917 7.927 -0.010 17803 1265 1 18 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.903 0.291 17803 1266 1 18 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.482 -0.560 17803 1267 1 18 . 1 1 4 4 GLU H H 4 7.994 7.994 8.776 -0.782 17803 1268 1 18 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.176 -0.174 17803 1269 1 18 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.927 0.707 17803 1270 1 18 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.584 0.631 17803 1271 1 18 . 1 1 5 5 GLN H H 5 8.210 8.210 7.808 0.402 17803 1272 1 18 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.863 -0.052 17803 1273 1 18 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.579 -4.031 17803 1274 1 18 . 1 1 6 6 CYS H H 6 8.138 8.138 7.716 0.422 17803 1275 1 18 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.610 0.152 17803 1276 1 18 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.119 -4.008 17803 1277 1 18 . 1 1 7 7 CYS H H 7 8.228 8.228 8.606 -0.378 17803 1278 1 18 . 1 1 8 8 THR HA H 8 4.038 4.038 4.396 -0.358 17803 1279 1 18 . 1 1 8 8 THR CA C 8 64.343 64.343 62.679 1.664 17803 1280 1 18 . 1 1 8 8 THR CB C 8 68.548 68.548 69.840 -1.292 17803 1281 1 18 . 1 1 8 8 THR H H 8 8.010 8.010 7.746 0.264 17803 1282 1 18 . 1 1 9 9 SER HA H 9 4.668 4.668 4.740 -0.072 17803 1283 1 18 . 1 1 9 9 SER CA C 9 56.043 56.043 57.275 -1.232 17803 1284 1 18 . 1 1 9 9 SER CB C 9 63.877 63.877 64.153 -0.276 17803 1285 1 18 . 1 1 9 9 SER H H 9 7.417 7.417 8.003 -0.586 17803 1286 1 18 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.537 -0.160 17803 1287 1 18 . 1 1 10 10 ILE CA C 10 59.861 59.861 59.408 0.453 17803 1288 1 18 . 1 1 10 10 ILE CB C 10 39.419 39.419 40.554 -1.135 17803 1289 1 18 . 1 1 10 10 ILE H H 10 7.756 7.756 8.202 -0.446 17803 1290 1 18 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.931 0.054 17803 1291 1 18 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.937 -4.020 17803 1292 1 18 . 1 1 11 11 CYS H H 11 9.351 9.351 8.267 1.084 17803 1293 1 18 . 1 1 12 12 SER HA H 12 4.553 4.553 4.707 -0.154 17803 1294 1 18 . 1 1 12 12 SER CA C 12 56.396 56.396 56.347 0.049 17803 1295 1 18 . 1 1 12 12 SER CB C 12 65.643 65.643 64.648 0.995 17803 1296 1 18 . 1 1 12 12 SER H H 12 8.551 8.551 8.583 -0.032 17803 1297 1 18 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.918 0.020 17803 1298 1 18 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.583 0.953 17803 1299 1 18 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.340 0.024 17803 1300 1 18 . 1 1 13 13 LEU H H 13 8.596 8.596 8.681 -0.085 17803 1301 1 18 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.276 -0.160 17803 1302 1 18 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.183 0.077 17803 1303 1 18 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.645 0.195 17803 1304 1 18 . 1 1 14 14 TYR H H 14 7.477 7.477 7.886 -0.409 17803 1305 1 18 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.192 -0.255 17803 1306 1 18 . 1 1 15 15 GLN CA C 15 58.261 58.261 56.767 1.494 17803 1307 1 18 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.321 -0.202 17803 1308 1 18 . 1 1 15 15 GLN H H 15 7.521 7.521 7.842 -0.321 17803 1309 1 18 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.947 0.155 17803 1310 1 18 . 1 1 16 16 LEU CA C 16 58.194 58.194 58.102 0.092 17803 1311 1 18 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.763 0.270 17803 1312 1 18 . 1 1 16 16 LEU H H 16 7.979 7.979 8.324 -0.345 17803 1313 1 18 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.002 0.067 17803 1314 1 18 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.744 -0.890 17803 1315 1 18 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.782 -2.108 17803 1316 1 18 . 1 1 17 17 GLU H H 17 8.067 8.067 7.801 0.266 17803 1317 1 18 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.546 -0.156 17803 1318 1 18 . 1 1 18 18 ASN CA C 18 54.955 54.955 54.200 0.755 17803 1319 1 18 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.339 0.159 17803 1320 1 18 . 1 1 18 18 ASN H H 18 7.474 7.474 7.534 -0.060 17803 1321 1 18 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.458 -0.079 17803 1322 1 18 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.948 1.519 17803 1323 1 18 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.569 0.517 17803 1324 1 18 . 1 1 19 19 TYR H H 19 7.853 7.853 7.285 0.568 17803 1325 1 18 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.426 0.136 17803 1326 1 18 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.531 -4.008 17803 1327 1 18 . 1 1 20 20 CYS CB C 20 36.967 36.967 24.643 12.324 17803 1328 1 18 . 1 1 20 20 CYS H H 20 7.535 7.535 7.950 -0.415 17803 1329 1 18 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.685 0.028 17803 1330 1 18 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.854 -0.767 17803 1331 1 18 . 1 1 21 21 ASN CB C 21 38.930 38.930 39.220 -0.290 17803 1332 1 18 . 1 1 21 21 ASN H H 21 7.968 7.968 7.900 0.068 17803 1333 1 19 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.317 0.606 17803 1334 1 19 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.122 -0.457 17803 1335 1 19 . 1 1 2 2 ILE H H 2 8.376 8.376 8.573 -0.197 17803 1336 1 19 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.554 0.095 17803 1337 1 19 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.421 0.274 17803 1338 1 19 . 1 1 3 3 VAL H H 3 7.917 7.917 8.037 -0.120 17803 1339 1 19 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.140 0.054 17803 1340 1 19 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.147 -0.225 17803 1341 1 19 . 1 1 4 4 GLU H H 4 7.994 7.994 8.726 -0.732 17803 1342 1 19 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.341 -0.339 17803 1343 1 19 . 1 1 5 5 GLN CA C 5 58.634 58.634 56.974 1.660 17803 1344 1 19 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.526 -0.311 17803 1345 1 19 . 1 1 5 5 GLN H H 5 8.210 8.210 8.044 0.166 17803 1346 1 19 . 1 1 6 6 CYS HA H 6 4.811 4.811 5.010 -0.199 17803 1347 1 19 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.829 -5.281 17803 1348 1 19 . 1 1 6 6 CYS H H 6 8.138 8.138 7.741 0.397 17803 1349 1 19 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.443 0.319 17803 1350 1 19 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.834 -4.723 17803 1351 1 19 . 1 1 7 7 CYS H H 7 8.228 8.228 8.840 -0.612 17803 1352 1 19 . 1 1 8 8 THR HA H 8 4.038 4.038 4.220 -0.182 17803 1353 1 19 . 1 1 8 8 THR CA C 8 64.343 64.343 63.965 0.378 17803 1354 1 19 . 1 1 8 8 THR CB C 8 68.548 68.548 69.304 -0.756 17803 1355 1 19 . 1 1 8 8 THR H H 8 8.010 8.010 8.443 -0.433 17803 1356 1 19 . 1 1 9 9 SER HA H 9 4.668 4.668 4.785 -0.117 17803 1357 1 19 . 1 1 9 9 SER CA C 9 56.043 56.043 57.085 -1.042 17803 1358 1 19 . 1 1 9 9 SER CB C 9 63.877 63.877 65.880 -2.003 17803 1359 1 19 . 1 1 9 9 SER H H 9 7.417 7.417 7.714 -0.297 17803 1360 1 19 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.081 0.296 17803 1361 1 19 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.839 -1.978 17803 1362 1 19 . 1 1 10 10 ILE CB C 10 39.419 39.419 37.926 1.493 17803 1363 1 19 . 1 1 10 10 ILE H H 10 7.756 7.756 8.260 -0.504 17803 1364 1 19 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.858 0.127 17803 1365 1 19 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.063 -4.146 17803 1366 1 19 . 1 1 11 11 CYS H H 11 9.351 9.351 8.171 1.180 17803 1367 1 19 . 1 1 12 12 SER HA H 12 4.553 4.553 4.861 -0.308 17803 1368 1 19 . 1 1 12 12 SER CA C 12 56.396 56.396 56.839 -0.443 17803 1369 1 19 . 1 1 12 12 SER CB C 12 65.643 65.643 65.993 -0.350 17803 1370 1 19 . 1 1 12 12 SER H H 12 8.551 8.551 8.344 0.207 17803 1371 1 19 . 1 1 13 13 LEU HA H 13 3.938 3.938 4.067 -0.129 17803 1372 1 19 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.982 0.554 17803 1373 1 19 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.834 -0.470 17803 1374 1 19 . 1 1 13 13 LEU H H 13 8.596 8.596 8.913 -0.317 17803 1375 1 19 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.093 0.023 17803 1376 1 19 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.915 -0.655 17803 1377 1 19 . 1 1 14 14 TYR CB C 14 37.840 37.840 38.050 -0.210 17803 1378 1 19 . 1 1 14 14 TYR H H 14 7.477 7.477 8.376 -0.899 17803 1379 1 19 . 1 1 15 15 GLN HA H 15 3.937 3.937 4.155 -0.218 17803 1380 1 19 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.343 0.918 17803 1381 1 19 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.209 -0.090 17803 1382 1 19 . 1 1 15 15 GLN H H 15 7.521 7.521 7.794 -0.273 17803 1383 1 19 . 1 1 16 16 LEU HA H 16 4.102 4.102 4.288 -0.186 17803 1384 1 19 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.902 0.292 17803 1385 1 19 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.789 0.244 17803 1386 1 19 . 1 1 16 16 LEU H H 16 7.979 7.979 8.334 -0.355 17803 1387 1 19 . 1 1 17 17 GLU HA H 17 4.069 4.069 3.948 0.121 17803 1388 1 19 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.840 -0.987 17803 1389 1 19 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.210 -1.536 17803 1390 1 19 . 1 1 17 17 GLU H H 17 8.067 8.067 8.344 -0.277 17803 1391 1 19 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.332 0.058 17803 1392 1 19 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.044 -0.089 17803 1393 1 19 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.248 0.249 17803 1394 1 19 . 1 1 18 18 ASN H H 18 7.474 7.474 7.507 -0.033 17803 1395 1 19 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.669 -0.290 17803 1396 1 19 . 1 1 19 19 TYR CA C 19 59.467 59.467 57.507 1.960 17803 1397 1 19 . 1 1 19 19 TYR CB C 19 38.086 38.086 38.025 0.061 17803 1398 1 19 . 1 1 19 19 TYR H H 19 7.853 7.853 7.631 0.222 17803 1399 1 19 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.886 -0.324 17803 1400 1 19 . 1 1 20 20 CYS CA C 20 54.523 54.523 56.570 -2.047 17803 1401 1 19 . 1 1 20 20 CYS CB C 20 36.967 36.967 30.260 6.707 17803 1402 1 19 . 1 1 20 20 CYS H H 20 7.535 7.535 7.712 -0.177 17803 1403 1 19 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.747 -0.034 17803 1404 1 19 . 1 1 21 21 ASN CA C 21 53.087 53.087 52.563 0.524 17803 1405 1 19 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.209 1.721 17803 1406 1 19 . 1 1 21 21 ASN H H 21 7.968 7.968 8.749 -0.781 17803 1407 1 20 . 1 1 2 2 ILE HA H 2 3.923 3.923 3.671 0.252 17803 1408 1 20 . 1 1 2 2 ILE CA C 2 62.665 62.665 63.029 -0.364 17803 1409 1 20 . 1 1 2 2 ILE H H 2 8.376 8.376 8.532 -0.156 17803 1410 1 20 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.545 0.104 17803 1411 1 20 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.317 0.378 17803 1412 1 20 . 1 1 3 3 VAL H H 3 7.917 7.917 7.698 0.219 17803 1413 1 20 . 1 1 4 4 GLU HA H 4 4.194 4.194 3.905 0.289 17803 1414 1 20 . 1 1 4 4 GLU CB C 4 27.922 27.922 29.272 -1.350 17803 1415 1 20 . 1 1 4 4 GLU H H 4 7.994 7.994 8.328 -0.334 17803 1416 1 20 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.157 -0.155 17803 1417 1 20 . 1 1 5 5 GLN CA C 5 58.634 58.634 58.175 0.459 17803 1418 1 20 . 1 1 5 5 GLN CB C 5 29.215 29.215 28.519 0.696 17803 1419 1 20 . 1 1 5 5 GLN H H 5 8.210 8.210 7.963 0.247 17803 1420 1 20 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.840 -0.029 17803 1421 1 20 . 1 1 6 6 CYS CA C 6 54.548 54.548 58.667 -4.119 17803 1422 1 20 . 1 1 6 6 CYS H H 6 8.138 8.138 7.499 0.639 17803 1423 1 20 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.425 0.337 17803 1424 1 20 . 1 1 7 7 CYS CA C 7 57.111 57.111 60.569 -3.458 17803 1425 1 20 . 1 1 7 7 CYS H H 7 8.228 8.228 8.305 -0.077 17803 1426 1 20 . 1 1 8 8 THR HA H 8 4.038 4.038 4.267 -0.229 17803 1427 1 20 . 1 1 8 8 THR CA C 8 64.343 64.343 63.103 1.240 17803 1428 1 20 . 1 1 8 8 THR CB C 8 68.548 68.548 69.457 -0.909 17803 1429 1 20 . 1 1 8 8 THR H H 8 8.010 8.010 8.272 -0.262 17803 1430 1 20 . 1 1 9 9 SER HA H 9 4.668 4.668 4.758 -0.090 17803 1431 1 20 . 1 1 9 9 SER CA C 9 56.043 56.043 56.980 -0.938 17803 1432 1 20 . 1 1 9 9 SER CB C 9 63.877 63.877 64.555 -0.678 17803 1433 1 20 . 1 1 9 9 SER H H 9 7.417 7.417 7.779 -0.362 17803 1434 1 20 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.209 0.168 17803 1435 1 20 . 1 1 10 10 ILE CA C 10 59.861 59.861 60.795 -0.935 17803 1436 1 20 . 1 1 10 10 ILE CB C 10 39.419 39.419 37.756 1.663 17803 1437 1 20 . 1 1 10 10 ILE H H 10 7.756 7.756 8.174 -0.418 17803 1438 1 20 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.920 0.065 17803 1439 1 20 . 1 1 11 11 CYS CA C 11 52.917 52.917 56.791 -3.874 17803 1440 1 20 . 1 1 11 11 CYS H H 11 9.351 9.351 8.827 0.524 17803 1441 1 20 . 1 1 12 12 SER HA H 12 4.553 4.553 4.756 -0.203 17803 1442 1 20 . 1 1 12 12 SER CA C 12 56.396 56.396 56.531 -0.135 17803 1443 1 20 . 1 1 12 12 SER CB C 12 65.643 65.643 65.646 -0.003 17803 1444 1 20 . 1 1 12 12 SER H H 12 8.551 8.551 8.326 0.225 17803 1445 1 20 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.881 0.057 17803 1446 1 20 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.980 0.556 17803 1447 1 20 . 1 1 13 13 LEU CB C 13 41.364 41.364 40.962 0.402 17803 1448 1 20 . 1 1 13 13 LEU H H 13 8.596 8.596 8.614 -0.018 17803 1449 1 20 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.284 -0.168 17803 1450 1 20 . 1 1 14 14 TYR CA C 14 60.260 60.260 59.817 0.443 17803 1451 1 20 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.292 0.548 17803 1452 1 20 . 1 1 14 14 TYR H H 14 7.477 7.477 8.086 -0.609 17803 1453 1 20 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.934 0.003 17803 1454 1 20 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.975 0.286 17803 1455 1 20 . 1 1 15 15 GLN CB C 15 29.119 29.119 29.240 -0.121 17803 1456 1 20 . 1 1 15 15 GLN H H 15 7.521 7.521 7.543 -0.022 17803 1457 1 20 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.816 0.286 17803 1458 1 20 . 1 1 16 16 LEU CA C 16 58.194 58.194 58.007 0.187 17803 1459 1 20 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.760 0.273 17803 1460 1 20 . 1 1 16 16 LEU H H 16 7.979 7.979 7.987 -0.008 17803 1461 1 20 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.101 -0.032 17803 1462 1 20 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.132 -0.278 17803 1463 1 20 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.364 -1.690 17803 1464 1 20 . 1 1 17 17 GLU H H 17 8.067 8.067 8.014 0.053 17803 1465 1 20 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.778 -0.388 17803 1466 1 20 . 1 1 18 18 ASN CA C 18 54.955 54.955 53.919 1.036 17803 1467 1 20 . 1 1 18 18 ASN CB C 18 38.497 38.497 40.327 -1.829 17803 1468 1 20 . 1 1 18 18 ASN H H 18 7.474 7.474 7.710 -0.236 17803 1469 1 20 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.421 -0.042 17803 1470 1 20 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.349 1.118 17803 1471 1 20 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.992 0.094 17803 1472 1 20 . 1 1 19 19 TYR H H 19 7.853 7.853 7.587 0.266 17803 1473 1 20 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.537 0.025 17803 1474 1 20 . 1 1 20 20 CYS CA C 20 54.523 54.523 57.050 -2.527 17803 1475 1 20 . 1 1 20 20 CYS CB C 20 36.967 36.967 28.125 8.841 17803 1476 1 20 . 1 1 20 20 CYS H H 20 7.535 7.535 7.805 -0.270 17803 1477 1 20 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.574 0.139 17803 1478 1 20 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.777 -0.690 17803 1479 1 20 . 1 1 21 21 ASN CB C 21 38.930 38.930 37.429 1.501 17803 1480 1 20 . 1 1 21 21 ASN H H 21 7.968 7.968 8.645 -0.677 17803 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 17803 2 1 1 "Average Difference" HA 20 0.199 0.025 0.203 17803 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17803 4 1 1 "Average Difference" CA 18 2.299 1.066 2.096 17803 5 1 1 "Average Difference" CB 16 2.624 -0.633 2.630 17803 6 1 1 "Average Difference" HN 20 0.411 0.077 0.414 17803 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17803 8 1 2 "Average Difference" HA 20 0.217 0.009 0.223 17803 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17803 10 1 2 "Average Difference" CA 18 2.341 1.097 2.128 17803 11 1 2 "Average Difference" CB 16 2.690 -0.739 2.671 17803 12 1 2 "Average Difference" HN 20 0.403 0.089 0.403 17803 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17803 14 1 3 "Average Difference" HA 20 0.271 0.071 0.268 17803 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17803 16 1 3 "Average Difference" CA 18 2.550 0.961 2.430 17803 17 1 3 "Average Difference" CB 16 2.751 -0.696 2.748 17803 18 1 3 "Average Difference" HN 20 0.395 0.092 0.394 17803 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17803 20 1 4 "Average Difference" HA 20 0.227 0.016 0.232 17803 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17803 22 1 4 "Average Difference" CA 18 2.117 0.776 2.027 17803 23 1 4 "Average Difference" CB 16 2.557 -0.791 2.511 17803 24 1 4 "Average Difference" HN 20 0.421 0.006 0.431 17803 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17803 26 1 5 "Average Difference" HA 20 0.191 -0.019 0.195 17803 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17803 28 1 5 "Average Difference" CA 18 2.369 0.892 2.258 17803 29 1 5 "Average Difference" CB 16 2.758 -0.819 2.720 17803 30 1 5 "Average Difference" HN 20 0.434 0.015 0.445 17803 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17803 32 1 6 "Average Difference" HA 20 0.216 0.006 0.222 17803 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17803 34 1 6 "Average Difference" CA 18 2.033 0.960 1.844 17803 35 1 6 "Average Difference" CB 16 2.560 -0.508 2.591 17803 36 1 6 "Average Difference" HN 20 0.320 0.111 0.307 17803 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17803 38 1 7 "Average Difference" HA 20 0.183 -0.030 0.185 17803 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17803 40 1 7 "Average Difference" CA 18 2.280 1.039 2.089 17803 41 1 7 "Average Difference" CB 16 3.145 -0.756 3.153 17803 42 1 7 "Average Difference" HN 20 0.461 0.084 0.465 17803 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17803 44 1 8 "Average Difference" HA 20 0.187 -0.020 0.191 17803 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17803 46 1 8 "Average Difference" CA 18 2.206 0.813 2.111 17803 47 1 8 "Average Difference" CB 16 2.465 -0.521 2.488 17803 48 1 8 "Average Difference" HN 20 0.396 0.101 0.393 17803 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17803 50 1 9 "Average Difference" HA 20 0.218 -0.003 0.224 17803 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17803 52 1 9 "Average Difference" CA 18 2.379 0.951 2.244 17803 53 1 9 "Average Difference" CB 16 2.421 -0.517 2.443 17803 54 1 9 "Average Difference" HN 20 0.403 0.065 0.408 17803 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17803 56 1 10 "Average Difference" HA 20 0.219 0.104 0.198 17803 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17803 58 1 10 "Average Difference" CA 18 2.462 1.043 2.295 17803 59 1 10 "Average Difference" CB 16 3.001 -0.809 2.985 17803 60 1 10 "Average Difference" HN 20 0.419 0.078 0.422 17803 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17803 62 1 11 "Average Difference" HA 20 0.189 -0.014 0.193 17803 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17803 64 1 11 "Average Difference" CA 18 1.998 0.725 1.916 17803 65 1 11 "Average Difference" CB 16 2.406 -0.507 2.429 17803 66 1 11 "Average Difference" HN 20 0.430 0.075 0.434 17803 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17803 68 1 12 "Average Difference" HA 20 0.200 -0.037 0.202 17803 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17803 70 1 12 "Average Difference" CA 18 2.095 0.856 1.968 17803 71 1 12 "Average Difference" CB 16 2.431 -0.540 2.448 17803 72 1 12 "Average Difference" HN 20 0.441 0.003 0.453 17803 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17803 74 1 13 "Average Difference" HA 20 0.236 0.098 0.220 17803 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17803 76 1 13 "Average Difference" CA 18 2.271 0.890 2.150 17803 77 1 13 "Average Difference" CB 16 2.378 -0.378 2.425 17803 78 1 13 "Average Difference" HN 20 0.425 0.102 0.423 17803 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17803 80 1 14 "Average Difference" HA 20 0.211 0.007 0.216 17803 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17803 82 1 14 "Average Difference" CA 18 2.573 1.060 2.413 17803 83 1 14 "Average Difference" CB 16 2.873 -0.674 2.884 17803 84 1 14 "Average Difference" HN 20 0.476 0.099 0.478 17803 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17803 86 1 15 "Average Difference" HA 20 0.243 -0.050 0.244 17803 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17803 88 1 15 "Average Difference" CA 18 2.321 1.027 2.142 17803 89 1 15 "Average Difference" CB 16 2.536 -0.642 2.534 17803 90 1 15 "Average Difference" HN 20 0.411 0.072 0.415 17803 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17803 92 1 16 "Average Difference" HA 20 0.209 -0.066 0.204 17803 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17803 94 1 16 "Average Difference" CA 18 2.527 1.344 2.201 17803 95 1 16 "Average Difference" CB 16 2.485 -0.650 2.477 17803 96 1 16 "Average Difference" HN 20 0.430 0.155 0.411 17803 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17803 98 1 17 "Average Difference" HA 20 0.169 0.029 0.171 17803 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17803 100 1 17 "Average Difference" CA 18 2.498 0.835 2.422 17803 101 1 17 "Average Difference" CB 16 2.586 -0.446 2.631 17803 102 1 17 "Average Difference" HN 20 0.427 0.070 0.432 17803 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17803 104 1 18 "Average Difference" HA 20 0.222 0.000 0.227 17803 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17803 106 1 18 "Average Difference" CA 18 2.069 0.639 2.025 17803 107 1 18 "Average Difference" CB 16 3.179 -0.601 3.224 17803 108 1 18 "Average Difference" HN 20 0.440 0.048 0.449 17803 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17803 110 1 19 "Average Difference" HA 20 0.244 0.031 0.248 17803 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17803 112 1 19 "Average Difference" CA 18 2.194 0.864 2.075 17803 113 1 19 "Average Difference" CB 16 1.902 -0.300 1.939 17803 114 1 19 "Average Difference" HN 20 0.500 0.192 0.473 17803 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17803 116 1 20 "Average Difference" HA 20 0.189 -0.020 0.193 17803 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17803 118 1 20 "Average Difference" CA 18 1.787 0.666 1.706 17803 119 1 20 "Average Difference" CB 16 2.420 -0.488 2.448 17803 120 1 20 "Average Difference" HN 20 0.346 0.064 0.349 17803 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 17803 _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 ILE HA H 2 3.923 3.923 3.732 0.191 17803 2 1 . 1 1 2 2 ILE CA C 2 62.665 62.665 62.511 0.154 17803 3 1 . 1 1 2 2 ILE H H 2 8.376 8.376 8.352 0.024 17803 4 1 . 1 1 3 3 VAL HA H 3 3.649 3.649 3.670 -0.021 17803 5 1 . 1 1 3 3 VAL CB C 3 31.695 31.695 31.004 0.691 17803 6 1 . 1 1 3 3 VAL H H 3 7.917 7.917 7.923 -0.006 17803 7 1 . 1 1 4 4 GLU HA H 4 4.194 4.194 4.052 0.142 17803 8 1 . 1 1 4 4 GLU CB C 4 27.922 27.922 28.575 -0.653 17803 9 1 . 1 1 4 4 GLU H H 4 7.994 7.994 8.654 -0.660 17803 10 1 . 1 1 5 5 GLN HA H 5 4.002 4.002 4.255 -0.253 17803 11 1 . 1 1 5 5 GLN CA C 5 58.634 58.634 57.974 0.660 17803 12 1 . 1 1 5 5 GLN CB C 5 29.215 29.215 29.027 0.188 17803 13 1 . 1 1 5 5 GLN H H 5 8.210 8.210 7.994 0.216 17803 14 1 . 1 1 6 6 CYS HA H 6 4.811 4.811 4.865 -0.054 17803 15 1 . 1 1 6 6 CYS CA C 6 54.548 54.548 59.403 -4.855 17803 16 1 . 1 1 6 6 CYS H H 6 8.138 8.138 7.776 0.362 17803 17 1 . 1 1 7 7 CYS HA H 7 4.762 4.762 4.505 0.257 17803 18 1 . 1 1 7 7 CYS CA C 7 57.111 57.111 61.060 -3.949 17803 19 1 . 1 1 7 7 CYS H H 7 8.228 8.228 8.645 -0.417 17803 20 1 . 1 1 8 8 THR HA H 8 4.038 4.038 4.326 -0.288 17803 21 1 . 1 1 8 8 THR CA C 8 64.343 64.343 63.222 1.121 17803 22 1 . 1 1 8 8 THR CB C 8 68.548 68.548 69.428 -0.880 17803 23 1 . 1 1 8 8 THR H H 8 8.010 8.010 8.084 -0.074 17803 24 1 . 1 1 9 9 SER HA H 9 4.668 4.668 4.714 -0.046 17803 25 1 . 1 1 9 9 SER CA C 9 56.043 56.043 57.284 -1.242 17803 26 1 . 1 1 9 9 SER CB C 9 63.877 63.877 64.965 -1.088 17803 27 1 . 1 1 9 9 SER H H 9 7.417 7.417 7.758 -0.341 17803 28 1 . 1 1 10 10 ILE HA H 10 4.377 4.377 4.230 0.147 17803 29 1 . 1 1 10 10 ILE CA C 10 59.861 59.861 61.178 -1.317 17803 30 1 . 1 1 10 10 ILE CB C 10 39.419 39.419 38.695 0.724 17803 31 1 . 1 1 10 10 ILE H H 10 7.756 7.756 8.146 -0.390 17803 32 1 . 1 1 11 11 CYS HA H 11 4.985 4.985 4.943 0.042 17803 33 1 . 1 1 11 11 CYS CA C 11 52.917 52.917 57.435 -4.518 17803 34 1 . 1 1 11 11 CYS H H 11 9.351 9.351 8.448 0.903 17803 35 1 . 1 1 12 12 SER HA H 12 4.553 4.553 4.795 -0.242 17803 36 1 . 1 1 12 12 SER CA C 12 56.396 56.396 56.671 -0.275 17803 37 1 . 1 1 12 12 SER CB C 12 65.643 65.643 64.833 0.810 17803 38 1 . 1 1 12 12 SER H H 12 8.551 8.551 8.637 -0.086 17803 39 1 . 1 1 13 13 LEU HA H 13 3.938 3.938 3.971 -0.033 17803 40 1 . 1 1 13 13 LEU CA C 13 58.536 58.536 57.793 0.743 17803 41 1 . 1 1 13 13 LEU CB C 13 41.364 41.364 41.347 0.017 17803 42 1 . 1 1 13 13 LEU H H 13 8.596 8.596 8.752 -0.156 17803 43 1 . 1 1 14 14 TYR HA H 14 4.116 4.116 4.264 -0.148 17803 44 1 . 1 1 14 14 TYR CA C 14 60.260 60.260 60.190 0.070 17803 45 1 . 1 1 14 14 TYR CB C 14 37.840 37.840 37.696 0.144 17803 46 1 . 1 1 14 14 TYR H H 14 7.477 7.477 7.950 -0.473 17803 47 1 . 1 1 15 15 GLN HA H 15 3.937 3.937 3.959 -0.022 17803 48 1 . 1 1 15 15 GLN CA C 15 58.261 58.261 57.755 0.507 17803 49 1 . 1 1 15 15 GLN CB C 15 29.119 29.119 28.994 0.125 17803 50 1 . 1 1 15 15 GLN H H 15 7.521 7.521 7.633 -0.112 17803 51 1 . 1 1 16 16 LEU HA H 16 4.102 4.102 3.915 0.187 17803 52 1 . 1 1 16 16 LEU CA C 16 58.194 58.194 57.610 0.584 17803 53 1 . 1 1 16 16 LEU CB C 16 42.033 42.033 41.643 0.390 17803 54 1 . 1 1 16 16 LEU H H 16 7.979 7.979 7.950 0.029 17803 55 1 . 1 1 17 17 GLU HA H 17 4.069 4.069 4.004 0.065 17803 56 1 . 1 1 17 17 GLU CA C 17 57.854 57.854 58.575 -0.721 17803 57 1 . 1 1 17 17 GLU CB C 17 27.674 27.674 29.397 -1.722 17803 58 1 . 1 1 17 17 GLU H H 17 8.067 8.067 8.105 -0.038 17803 59 1 . 1 1 18 18 ASN HA H 18 4.390 4.390 4.465 -0.075 17803 60 1 . 1 1 18 18 ASN CA C 18 54.955 54.955 55.089 -0.134 17803 61 1 . 1 1 18 18 ASN CB C 18 38.497 38.497 38.557 -0.060 17803 62 1 . 1 1 18 18 ASN H H 18 7.474 7.474 7.545 -0.071 17803 63 1 . 1 1 19 19 TYR HA H 19 4.379 4.379 4.472 -0.093 17803 64 1 . 1 1 19 19 TYR CA C 19 59.467 59.467 58.547 0.920 17803 65 1 . 1 1 19 19 TYR CB C 19 38.086 38.086 37.676 0.410 17803 66 1 . 1 1 19 19 TYR H H 19 7.853 7.853 7.536 0.317 17803 67 1 . 1 1 20 20 CYS HA H 20 4.562 4.562 4.501 0.061 17803 68 1 . 1 1 20 20 CYS CA C 20 54.523 54.523 58.737 -4.214 17803 69 1 . 1 1 20 20 CYS CB C 20 36.967 36.967 27.165 9.802 17803 70 1 . 1 1 20 20 CYS H H 20 7.535 7.535 7.910 -0.375 17803 71 1 . 1 1 21 21 ASN HA H 21 4.713 4.713 4.666 0.047 17803 72 1 . 1 1 21 21 ASN CA C 21 53.087 53.087 53.274 -0.187 17803 73 1 . 1 1 21 21 ASN CB C 21 38.930 38.930 38.215 0.715 17803 74 1 . 1 1 21 21 ASN H H 21 7.968 7.968 8.217 -0.249 17803 stop_ save_