data_19237 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19237 _Entry.PDB_ID 1923 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 19237 _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 3 3 LEU HA H 3 5.129 5.129 4.262 0.867 19237 2 1 1 . 1 1 3 3 LEU CA C 3 54.667 54.667 55.894 -1.227 19237 3 1 1 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.461 3.616 19237 4 1 1 . 1 1 3 3 LEU H H 3 8.460 8.460 8.286 0.174 19237 5 1 1 . 1 1 4 4 CYS N N 4 122.129 122.129 124.835 -2.706 19237 6 1 1 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.570 0.564 19237 7 1 1 . 1 1 4 4 CYS CA C 4 60.428 60.428 59.093 1.335 19237 8 1 1 . 1 1 4 4 CYS H H 4 9.717 9.717 8.860 0.857 19237 9 1 1 . 1 1 5 5 GLU N N 5 122.663 122.663 126.431 -3.768 19237 10 1 1 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.677 -0.198 19237 11 1 1 . 1 1 5 5 GLU H H 5 8.801 8.801 8.802 -0.001 19237 12 1 1 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.816 -0.054 19237 13 1 1 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.537 1.418 19237 14 1 1 . 1 1 6 6 LYS H H 6 9.057 9.057 8.920 0.137 19237 15 1 1 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.385 0.083 19237 16 1 1 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.904 1.486 19237 17 1 1 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.820 1.176 19237 18 1 1 . 1 1 8 8 SER HA H 8 4.751 4.751 4.319 0.432 19237 19 1 1 . 1 1 8 8 SER CA C 8 59.388 59.388 60.344 -0.956 19237 20 1 1 . 1 1 8 8 SER CB C 8 65.016 65.016 63.329 1.687 19237 21 1 1 . 1 1 8 8 SER H H 8 8.628 8.628 8.218 0.410 19237 22 1 1 . 1 1 9 9 GLY N N 9 119.742 119.742 113.273 6.469 19237 23 1 1 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.927 0.349 19237 24 1 1 . 1 1 9 9 GLY H H 9 10.642 10.642 8.918 1.724 19237 25 1 1 . 1 1 10 10 THR N N 10 109.252 109.252 111.058 -1.806 19237 26 1 1 . 1 1 10 10 THR HA H 10 4.506 4.506 4.466 0.040 19237 27 1 1 . 1 1 10 10 THR CA C 10 63.146 63.146 61.547 1.599 19237 28 1 1 . 1 1 10 10 THR CB C 10 71.462 71.462 69.880 1.582 19237 29 1 1 . 1 1 10 10 THR H H 10 8.204 8.204 7.883 0.321 19237 30 1 1 . 1 1 11 11 TRP N N 11 125.850 125.850 123.229 2.621 19237 31 1 1 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.779 -0.653 19237 32 1 1 . 1 1 11 11 TRP CA C 11 59.332 59.332 57.813 1.519 19237 33 1 1 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.718 -1.690 19237 34 1 1 . 1 1 11 11 TRP H H 11 8.151 8.151 7.850 0.301 19237 35 1 1 . 1 1 12 12 SER N N 12 123.082 123.082 115.808 7.274 19237 36 1 1 . 1 1 12 12 SER HA H 12 4.642 4.642 4.748 -0.106 19237 37 1 1 . 1 1 12 12 SER CA C 12 57.769 57.769 57.830 -0.061 19237 38 1 1 . 1 1 12 12 SER CB C 12 65.589 65.589 66.049 -0.460 19237 39 1 1 . 1 1 12 12 SER H H 12 7.364 7.364 8.057 -0.693 19237 40 1 1 . 1 1 13 13 GLY N N 13 111.342 111.342 110.413 0.929 19237 41 1 1 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.614 0.370 19237 42 1 1 . 1 1 13 13 GLY H H 13 8.403 8.403 8.190 0.213 19237 43 1 1 . 1 1 14 14 VAL N N 14 119.976 119.976 122.108 -2.132 19237 44 1 1 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.195 -0.130 19237 45 1 1 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.950 1.473 19237 46 1 1 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.074 0.463 19237 47 1 1 . 1 1 14 14 VAL H H 14 8.540 8.540 8.303 0.237 19237 48 1 1 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.090 -0.144 19237 49 1 1 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.237 -0.318 19237 50 1 1 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.884 10.777 19237 51 1 1 . 1 1 15 15 CYS H H 15 8.289 8.289 8.180 0.109 19237 52 1 1 . 1 1 16 16 GLY N N 16 114.030 114.030 113.141 0.889 19237 53 1 1 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.124 0.684 19237 54 1 1 . 1 1 16 16 GLY H H 16 8.610 8.610 8.789 -0.179 19237 55 1 1 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.792 0.084 19237 56 1 1 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.644 0.711 19237 57 1 1 . 1 1 17 17 ASN H H 17 7.335 7.335 7.571 -0.236 19237 58 1 1 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.683 -0.431 19237 59 1 1 . 1 1 18 18 ASN CB C 18 39.481 39.481 39.463 0.018 19237 60 1 1 . 1 1 18 18 ASN H H 18 9.056 9.056 8.616 0.440 19237 61 1 1 . 1 1 19 19 GLY N N 19 107.723 107.723 109.929 -2.206 19237 62 1 1 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.532 1.438 19237 63 1 1 . 1 1 19 19 GLY H H 19 8.565 8.565 8.399 0.166 19237 64 1 1 . 1 1 20 20 ALA N N 20 124.931 124.931 124.977 -0.046 19237 65 1 1 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.255 0.103 19237 66 1 1 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.884 0.874 19237 67 1 1 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.357 1.177 19237 68 1 1 . 1 1 20 20 ALA H H 20 7.949 7.949 8.413 -0.464 19237 69 1 1 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.935 0.239 19237 70 1 1 . 1 1 21 21 CYS CA C 21 59.283 59.283 63.111 -3.828 19237 71 1 1 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.942 12.860 19237 72 1 1 . 1 1 21 21 CYS H H 21 7.335 7.335 8.115 -0.780 19237 73 1 1 . 1 1 22 22 ARG N N 22 122.243 122.243 120.604 1.639 19237 74 1 1 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.757 -0.508 19237 75 1 1 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.969 -5.920 19237 76 1 1 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.897 -0.149 19237 77 1 1 . 1 1 22 22 ARG H H 22 8.494 8.494 8.125 0.369 19237 78 1 1 . 1 1 23 23 ASN N N 23 114.938 114.938 117.577 -2.639 19237 79 1 1 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.333 0.066 19237 80 1 1 . 1 1 23 23 ASN H H 23 8.271 8.271 8.608 -0.337 19237 81 1 1 . 1 1 24 24 GLN N N 24 120.890 120.890 119.784 1.106 19237 82 1 1 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.054 0.053 19237 83 1 1 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.083 -0.119 19237 84 1 1 . 1 1 24 24 GLN H H 24 8.221 8.221 8.140 0.081 19237 85 1 1 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.236 0.005 19237 86 1 1 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.027 -2.662 19237 87 1 1 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.608 12.424 19237 88 1 1 . 1 1 25 25 CYS H H 25 8.747 8.747 8.183 0.564 19237 89 1 1 . 1 1 26 26 ILE N N 26 119.696 119.696 122.058 -2.362 19237 90 1 1 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.199 -0.347 19237 91 1 1 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.561 2.470 19237 92 1 1 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.637 3.715 19237 93 1 1 . 1 1 26 26 ILE H H 26 8.198 8.198 8.251 -0.053 19237 94 1 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.263 -0.122 19237 95 1 1 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.008 1.499 19237 96 1 1 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.242 1.800 19237 97 1 1 . 1 1 27 27 ARG H H 27 8.736 8.736 7.858 0.878 19237 98 1 1 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.366 0.355 19237 99 1 1 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.879 -0.258 19237 100 1 1 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.458 1.264 19237 101 1 1 . 1 1 28 28 LEU H H 28 8.572 8.572 8.373 0.199 19237 102 1 1 . 1 1 29 29 GLU N N 29 115.746 115.746 116.462 -0.716 19237 103 1 1 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.480 0.330 19237 104 1 1 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.157 0.785 19237 105 1 1 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.403 0.645 19237 106 1 1 . 1 1 29 29 GLU H H 29 7.032 7.032 7.785 -0.753 19237 107 1 1 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.135 0.111 19237 108 1 1 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.140 1.063 19237 109 1 1 . 1 1 30 30 LYS H H 30 7.475 7.475 7.620 -0.145 19237 110 1 1 . 1 1 31 31 ALA N N 31 120.618 120.618 120.225 0.393 19237 111 1 1 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.827 0.182 19237 112 1 1 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.277 0.530 19237 113 1 1 . 1 1 31 31 ALA CB C 31 14.022 14.022 19.971 -5.949 19237 114 1 1 . 1 1 31 31 ALA H H 31 7.974 7.974 8.089 -0.115 19237 115 1 1 . 1 1 32 32 ARG N N 32 113.739 113.739 121.523 -7.784 19237 116 1 1 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.389 0.093 19237 117 1 1 . 1 1 32 32 ARG H H 32 8.230 8.230 8.311 -0.081 19237 118 1 1 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.773 -0.023 19237 119 1 1 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.587 0.854 19237 120 1 1 . 1 1 33 33 HIS H H 33 7.683 7.683 7.643 0.040 19237 121 1 1 . 1 1 34 34 GLY N N 34 110.723 110.723 107.920 2.803 19237 122 1 1 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.879 2.578 19237 123 1 1 . 1 1 34 34 GLY H H 34 6.313 6.313 7.415 -1.102 19237 124 1 1 . 1 1 35 35 SER HA H 35 4.118 4.118 4.636 -0.518 19237 125 1 1 . 1 1 35 35 SER CA C 35 61.816 61.816 57.142 4.674 19237 126 1 1 . 1 1 35 35 SER CB C 35 73.315 73.315 65.919 7.396 19237 127 1 1 . 1 1 35 35 SER H H 35 9.075 9.075 8.576 0.499 19237 128 1 1 . 1 1 36 36 CYS HA H 36 5.455 5.455 5.110 0.345 19237 129 1 1 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.061 -4.228 19237 130 1 1 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.531 11.728 19237 131 1 1 . 1 1 36 36 CYS H H 36 8.552 8.552 9.379 -0.827 19237 132 1 1 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.669 0.330 19237 133 1 1 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.062 -0.974 19237 134 1 1 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.978 2.772 19237 135 1 1 . 1 1 37 37 ASN H H 37 9.079 9.079 8.160 0.919 19237 136 1 1 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.373 -0.165 19237 137 1 1 . 1 1 38 38 TYR H H 38 8.829 8.829 8.663 0.166 19237 138 1 1 . 1 1 39 39 VAL HA H 39 3.887 3.887 4.122 -0.235 19237 139 1 1 . 1 1 39 39 VAL CA C 39 64.862 64.862 60.756 4.106 19237 140 1 1 . 1 1 39 39 VAL H H 39 7.680 7.680 7.807 -0.127 19237 141 1 1 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.690 0.266 19237 142 1 1 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.266 0.299 19237 143 1 1 . 1 1 40 40 PHE H H 40 8.441 8.441 8.000 0.441 19237 144 1 1 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.791 0.077 19237 145 1 1 . 1 1 41 41 PRO CA C 41 62.617 62.617 62.051 0.566 19237 146 1 1 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.736 0.041 19237 147 1 1 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.918 1.680 19237 148 1 1 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.859 1.409 19237 149 1 1 . 1 1 42 42 ALA H H 42 8.286 8.286 7.446 0.840 19237 150 1 1 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.140 -0.186 19237 151 1 1 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.686 -0.089 19237 152 1 1 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.684 0.521 19237 153 1 1 . 1 1 43 43 HIS H H 43 8.588 8.588 8.761 -0.173 19237 154 1 1 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.833 -0.166 19237 155 1 1 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.551 2.013 19237 156 1 1 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.265 0.753 19237 157 1 1 . 1 1 44 44 LYS H H 44 8.825 8.825 8.969 -0.144 19237 158 1 1 . 1 1 45 45 CYS N N 45 120.533 120.533 121.634 -1.101 19237 159 1 1 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.409 0.305 19237 160 1 1 . 1 1 45 45 CYS CB C 45 36.420 36.420 26.737 9.683 19237 161 1 1 . 1 1 45 45 CYS H H 45 9.154 9.154 8.676 0.478 19237 162 1 1 . 1 1 46 46 ILE N N 46 133.530 133.530 128.984 4.546 19237 163 1 1 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.435 -0.276 19237 164 1 1 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.975 -0.025 19237 165 1 1 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.607 -1.256 19237 166 1 1 . 1 1 46 46 ILE H H 46 8.773 8.773 9.141 -0.368 19237 167 1 1 . 1 1 47 47 CYS N N 47 120.445 120.445 126.535 -6.090 19237 168 1 1 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.683 0.658 19237 169 1 1 . 1 1 47 47 CYS CA C 47 52.088 52.088 57.937 -5.848 19237 170 1 1 . 1 1 47 47 CYS H H 47 8.520 8.520 8.921 -0.401 19237 171 1 1 . 1 1 48 48 TYR N N 48 116.569 116.569 120.076 -3.507 19237 172 1 1 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.704 0.576 19237 173 1 1 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.693 1.210 19237 174 1 1 . 1 1 48 48 TYR CB C 48 42.520 42.520 40.072 2.448 19237 175 1 1 . 1 1 48 48 TYR H H 48 7.870 7.870 9.290 -1.420 19237 176 1 1 . 1 1 49 49 PHE N N 49 122.029 122.029 122.187 -0.158 19237 177 1 1 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.994 -0.033 19237 178 1 1 . 1 1 49 49 PHE H H 49 9.162 9.162 8.797 0.365 19237 179 1 1 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.381 0.513 19237 180 1 1 . 1 1 50 50 PRO CA C 50 64.668 64.668 64.077 0.591 19237 181 1 1 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.802 1.116 19237 182 1 2 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.481 0.648 19237 183 1 2 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.659 0.008 19237 184 1 2 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.744 3.333 19237 185 1 2 . 1 1 3 3 LEU H H 3 8.460 8.460 8.250 0.210 19237 186 1 2 . 1 1 4 4 CYS N N 4 122.129 122.129 122.423 -0.294 19237 187 1 2 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.749 0.385 19237 188 1 2 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.773 1.655 19237 189 1 2 . 1 1 4 4 CYS H H 4 9.717 9.717 8.960 0.757 19237 190 1 2 . 1 1 5 5 GLU N N 5 122.663 122.663 124.943 -2.280 19237 191 1 2 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.534 -0.055 19237 192 1 2 . 1 1 5 5 GLU H H 5 8.801 8.801 8.822 -0.021 19237 193 1 2 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.826 -0.064 19237 194 1 2 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.090 1.865 19237 195 1 2 . 1 1 6 6 LYS H H 6 9.057 9.057 8.924 0.133 19237 196 1 2 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.346 0.122 19237 197 1 2 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.767 1.623 19237 198 1 2 . 1 1 7 7 PRO CB C 7 32.996 32.996 32.225 0.771 19237 199 1 2 . 1 1 8 8 SER HA H 8 4.751 4.751 4.452 0.299 19237 200 1 2 . 1 1 8 8 SER CA C 8 59.388 59.388 59.537 -0.149 19237 201 1 2 . 1 1 8 8 SER CB C 8 65.016 65.016 63.848 1.168 19237 202 1 2 . 1 1 8 8 SER H H 8 8.628 8.628 8.432 0.196 19237 203 1 2 . 1 1 9 9 GLY N N 9 119.742 119.742 113.495 6.247 19237 204 1 2 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.319 0.957 19237 205 1 2 . 1 1 9 9 GLY H H 9 10.642 10.642 8.893 1.749 19237 206 1 2 . 1 1 10 10 THR N N 10 109.252 109.252 111.522 -2.270 19237 207 1 2 . 1 1 10 10 THR HA H 10 4.506 4.506 4.473 0.033 19237 208 1 2 . 1 1 10 10 THR CA C 10 63.146 63.146 61.364 1.782 19237 209 1 2 . 1 1 10 10 THR CB C 10 71.462 71.462 70.001 1.461 19237 210 1 2 . 1 1 10 10 THR H H 10 8.204 8.204 7.788 0.416 19237 211 1 2 . 1 1 11 11 TRP N N 11 125.850 125.850 124.081 1.769 19237 212 1 2 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.740 -0.615 19237 213 1 2 . 1 1 11 11 TRP CA C 11 59.332 59.332 59.051 0.281 19237 214 1 2 . 1 1 11 11 TRP CB C 11 30.028 30.028 30.680 -0.652 19237 215 1 2 . 1 1 11 11 TRP H H 11 8.151 8.151 7.940 0.211 19237 216 1 2 . 1 1 12 12 SER N N 12 123.082 123.082 117.461 5.621 19237 217 1 2 . 1 1 12 12 SER HA H 12 4.642 4.642 4.673 -0.031 19237 218 1 2 . 1 1 12 12 SER CA C 12 57.769 57.769 57.901 -0.132 19237 219 1 2 . 1 1 12 12 SER CB C 12 65.589 65.589 64.185 1.404 19237 220 1 2 . 1 1 12 12 SER H H 12 7.364 7.364 7.953 -0.589 19237 221 1 2 . 1 1 13 13 GLY N N 13 111.342 111.342 113.729 -2.387 19237 222 1 2 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.896 0.088 19237 223 1 2 . 1 1 13 13 GLY H H 13 8.403 8.403 8.532 -0.129 19237 224 1 2 . 1 1 14 14 VAL N N 14 119.976 119.976 122.335 -2.359 19237 225 1 2 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.281 -0.216 19237 226 1 2 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.394 2.029 19237 227 1 2 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.069 1.468 19237 228 1 2 . 1 1 14 14 VAL H H 14 8.540 8.540 8.299 0.241 19237 229 1 2 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.069 -0.123 19237 230 1 2 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.019 -0.100 19237 231 1 2 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.931 10.730 19237 232 1 2 . 1 1 15 15 CYS H H 15 8.289 8.289 8.696 -0.407 19237 233 1 2 . 1 1 16 16 GLY N N 16 114.030 114.030 111.341 2.689 19237 234 1 2 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.033 0.774 19237 235 1 2 . 1 1 16 16 GLY H H 16 8.610 8.610 8.682 -0.072 19237 236 1 2 . 1 1 17 17 ASN HA H 17 4.876 4.876 5.011 -0.135 19237 237 1 2 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.508 0.847 19237 238 1 2 . 1 1 17 17 ASN H H 17 7.335 7.335 7.649 -0.314 19237 239 1 2 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.596 -0.344 19237 240 1 2 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.442 1.039 19237 241 1 2 . 1 1 18 18 ASN H H 18 9.056 9.056 8.792 0.264 19237 242 1 2 . 1 1 19 19 GLY N N 19 107.723 107.723 108.273 -0.550 19237 243 1 2 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.008 1.962 19237 244 1 2 . 1 1 19 19 GLY H H 19 8.565 8.565 8.456 0.109 19237 245 1 2 . 1 1 20 20 ALA N N 20 124.931 124.931 123.126 1.805 19237 246 1 2 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.229 0.129 19237 247 1 2 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.898 0.861 19237 248 1 2 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.397 1.137 19237 249 1 2 . 1 1 20 20 ALA H H 20 7.949 7.949 8.132 -0.183 19237 250 1 2 . 1 1 21 21 CYS HA H 21 4.174 4.174 4.035 0.139 19237 251 1 2 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.209 -1.926 19237 252 1 2 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.913 12.889 19237 253 1 2 . 1 1 21 21 CYS H H 21 7.335 7.335 7.806 -0.471 19237 254 1 2 . 1 1 22 22 ARG N N 22 122.243 122.243 121.275 0.968 19237 255 1 2 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.709 -0.460 19237 256 1 2 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.981 -5.932 19237 257 1 2 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.797 -0.049 19237 258 1 2 . 1 1 22 22 ARG H H 22 8.494 8.494 8.142 0.352 19237 259 1 2 . 1 1 23 23 ASN N N 23 114.938 114.938 117.226 -2.288 19237 260 1 2 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.388 0.011 19237 261 1 2 . 1 1 23 23 ASN H H 23 8.271 8.271 8.446 -0.175 19237 262 1 2 . 1 1 24 24 GLN N N 24 120.890 120.890 119.957 0.933 19237 263 1 2 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.102 0.005 19237 264 1 2 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.077 -0.113 19237 265 1 2 . 1 1 24 24 GLN H H 24 8.221 8.221 7.894 0.327 19237 266 1 2 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.254 -0.013 19237 267 1 2 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.071 -2.706 19237 268 1 2 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.575 12.457 19237 269 1 2 . 1 1 25 25 CYS H H 25 8.747 8.747 8.323 0.424 19237 270 1 2 . 1 1 26 26 ILE N N 26 119.696 119.696 122.113 -2.417 19237 271 1 2 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.086 -0.234 19237 272 1 2 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.426 2.605 19237 273 1 2 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.618 3.733 19237 274 1 2 . 1 1 26 26 ILE H H 26 8.198 8.198 8.181 0.017 19237 275 1 2 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.188 -0.047 19237 276 1 2 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.988 1.519 19237 277 1 2 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.257 1.785 19237 278 1 2 . 1 1 27 27 ARG H H 27 8.736 8.736 7.745 0.991 19237 279 1 2 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.388 0.333 19237 280 1 2 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.906 -0.285 19237 281 1 2 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.701 1.021 19237 282 1 2 . 1 1 28 28 LEU H H 28 8.572 8.572 8.441 0.131 19237 283 1 2 . 1 1 29 29 GLU N N 29 115.746 115.746 115.831 -0.085 19237 284 1 2 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.523 0.287 19237 285 1 2 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.135 0.808 19237 286 1 2 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.583 0.465 19237 287 1 2 . 1 1 29 29 GLU H H 29 7.032 7.032 7.739 -0.707 19237 288 1 2 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.086 0.160 19237 289 1 2 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.060 1.143 19237 290 1 2 . 1 1 30 30 LYS H H 30 7.475 7.475 7.690 -0.215 19237 291 1 2 . 1 1 31 31 ALA N N 31 120.618 120.618 120.237 0.381 19237 292 1 2 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.952 0.057 19237 293 1 2 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.604 0.203 19237 294 1 2 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.133 -6.111 19237 295 1 2 . 1 1 31 31 ALA H H 31 7.974 7.974 8.054 -0.080 19237 296 1 2 . 1 1 32 32 ARG N N 32 113.739 113.739 121.380 -7.641 19237 297 1 2 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.363 0.119 19237 298 1 2 . 1 1 32 32 ARG H H 32 8.230 8.230 8.261 -0.031 19237 299 1 2 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.734 0.016 19237 300 1 2 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.511 0.930 19237 301 1 2 . 1 1 33 33 HIS H H 33 7.683 7.683 7.548 0.135 19237 302 1 2 . 1 1 34 34 GLY N N 34 110.723 110.723 108.137 2.586 19237 303 1 2 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.757 2.700 19237 304 1 2 . 1 1 34 34 GLY H H 34 6.313 6.313 7.477 -1.164 19237 305 1 2 . 1 1 35 35 SER HA H 35 4.118 4.118 4.700 -0.582 19237 306 1 2 . 1 1 35 35 SER CA C 35 61.816 61.816 56.900 4.916 19237 307 1 2 . 1 1 35 35 SER CB C 35 73.315 73.315 65.853 7.462 19237 308 1 2 . 1 1 35 35 SER H H 35 9.075 9.075 8.816 0.259 19237 309 1 2 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.897 0.558 19237 310 1 2 . 1 1 36 36 CYS CA C 36 52.833 52.833 56.441 -3.608 19237 311 1 2 . 1 1 36 36 CYS CB C 36 37.259 37.259 24.918 12.341 19237 312 1 2 . 1 1 36 36 CYS H H 36 8.552 8.552 8.703 -0.151 19237 313 1 2 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.654 0.345 19237 314 1 2 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.981 -0.893 19237 315 1 2 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.964 2.786 19237 316 1 2 . 1 1 37 37 ASN H H 37 9.079 9.079 7.891 1.188 19237 317 1 2 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.392 -0.184 19237 318 1 2 . 1 1 38 38 TYR H H 38 8.829 8.829 8.754 0.075 19237 319 1 2 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.943 -0.056 19237 320 1 2 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.438 3.424 19237 321 1 2 . 1 1 39 39 VAL H H 39 7.680 7.680 7.812 -0.132 19237 322 1 2 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.677 0.279 19237 323 1 2 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.641 -0.076 19237 324 1 2 . 1 1 40 40 PHE H H 40 8.441 8.441 7.941 0.500 19237 325 1 2 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.642 0.226 19237 326 1 2 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.904 0.713 19237 327 1 2 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.642 0.135 19237 328 1 2 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.913 1.685 19237 329 1 2 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.199 2.069 19237 330 1 2 . 1 1 42 42 ALA H H 42 8.286 8.286 7.176 1.110 19237 331 1 2 . 1 1 43 43 HIS HA H 43 4.954 4.954 4.783 0.171 19237 332 1 2 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.909 -0.312 19237 333 1 2 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.603 0.602 19237 334 1 2 . 1 1 43 43 HIS H H 43 8.588 8.588 8.740 -0.152 19237 335 1 2 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.774 -0.107 19237 336 1 2 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.577 1.987 19237 337 1 2 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.157 0.861 19237 338 1 2 . 1 1 44 44 LYS H H 44 8.825 8.825 9.102 -0.277 19237 339 1 2 . 1 1 45 45 CYS N N 45 120.533 120.533 123.599 -3.066 19237 340 1 2 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.088 0.626 19237 341 1 2 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.675 10.745 19237 342 1 2 . 1 1 45 45 CYS H H 45 9.154 9.154 8.758 0.396 19237 343 1 2 . 1 1 46 46 ILE N N 46 133.530 133.530 129.857 3.673 19237 344 1 2 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.579 -0.420 19237 345 1 2 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.545 0.405 19237 346 1 2 . 1 1 46 46 ILE CB C 46 38.351 38.351 37.568 0.783 19237 347 1 2 . 1 1 46 46 ILE H H 46 8.773 8.773 9.067 -0.294 19237 348 1 2 . 1 1 47 47 CYS N N 47 120.445 120.445 127.260 -6.815 19237 349 1 2 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.533 0.808 19237 350 1 2 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.430 -6.342 19237 351 1 2 . 1 1 47 47 CYS H H 47 8.520 8.520 8.848 -0.328 19237 352 1 2 . 1 1 48 48 TYR N N 48 116.569 116.569 119.807 -3.238 19237 353 1 2 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.989 0.291 19237 354 1 2 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.508 1.395 19237 355 1 2 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.984 2.535 19237 356 1 2 . 1 1 48 48 TYR H H 48 7.870 7.870 9.175 -1.305 19237 357 1 2 . 1 1 49 49 PHE N N 49 122.029 122.029 121.489 0.540 19237 358 1 2 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.028 -0.067 19237 359 1 2 . 1 1 49 49 PHE H H 49 9.162 9.162 9.303 -0.141 19237 360 1 2 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.351 0.543 19237 361 1 2 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.431 1.237 19237 362 1 2 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.400 1.518 19237 363 1 3 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.781 0.348 19237 364 1 3 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.477 0.190 19237 365 1 3 . 1 1 3 3 LEU CB C 3 46.077 46.077 45.850 0.227 19237 366 1 3 . 1 1 3 3 LEU H H 3 8.460 8.460 8.348 0.112 19237 367 1 3 . 1 1 4 4 CYS N N 4 122.129 122.129 122.104 0.025 19237 368 1 3 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.700 0.434 19237 369 1 3 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.378 2.050 19237 370 1 3 . 1 1 4 4 CYS H H 4 9.717 9.717 9.218 0.499 19237 371 1 3 . 1 1 5 5 GLU N N 5 122.663 122.663 125.667 -3.004 19237 372 1 3 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.376 0.103 19237 373 1 3 . 1 1 5 5 GLU H H 5 8.801 8.801 8.570 0.231 19237 374 1 3 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.846 -0.084 19237 375 1 3 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.583 1.372 19237 376 1 3 . 1 1 6 6 LYS H H 6 9.057 9.057 8.967 0.090 19237 377 1 3 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.455 0.013 19237 378 1 3 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.920 1.470 19237 379 1 3 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.567 1.429 19237 380 1 3 . 1 1 8 8 SER HA H 8 4.751 4.751 4.312 0.439 19237 381 1 3 . 1 1 8 8 SER CA C 8 59.388 59.388 59.511 -0.123 19237 382 1 3 . 1 1 8 8 SER CB C 8 65.016 65.016 63.564 1.452 19237 383 1 3 . 1 1 8 8 SER H H 8 8.628 8.628 8.205 0.423 19237 384 1 3 . 1 1 9 9 GLY N N 9 119.742 119.742 109.934 9.808 19237 385 1 3 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.426 0.850 19237 386 1 3 . 1 1 9 9 GLY H H 9 10.642 10.642 9.310 1.332 19237 387 1 3 . 1 1 10 10 THR N N 10 109.252 109.252 111.513 -2.261 19237 388 1 3 . 1 1 10 10 THR HA H 10 4.506 4.506 4.491 0.015 19237 389 1 3 . 1 1 10 10 THR CA C 10 63.146 63.146 61.257 1.889 19237 390 1 3 . 1 1 10 10 THR CB C 10 71.462 71.462 69.843 1.619 19237 391 1 3 . 1 1 10 10 THR H H 10 8.204 8.204 7.679 0.525 19237 392 1 3 . 1 1 11 11 TRP N N 11 125.850 125.850 123.189 2.661 19237 393 1 3 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.727 -0.601 19237 394 1 3 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.249 1.083 19237 395 1 3 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.155 -1.127 19237 396 1 3 . 1 1 11 11 TRP H H 11 8.151 8.151 8.070 0.081 19237 397 1 3 . 1 1 12 12 SER N N 12 123.082 123.082 116.192 6.890 19237 398 1 3 . 1 1 12 12 SER HA H 12 4.642 4.642 4.728 -0.086 19237 399 1 3 . 1 1 12 12 SER CA C 12 57.769 57.769 57.786 -0.017 19237 400 1 3 . 1 1 12 12 SER CB C 12 65.589 65.589 66.050 -0.461 19237 401 1 3 . 1 1 12 12 SER H H 12 7.364 7.364 7.694 -0.330 19237 402 1 3 . 1 1 13 13 GLY N N 13 111.342 111.342 112.000 -0.658 19237 403 1 3 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.634 0.350 19237 404 1 3 . 1 1 13 13 GLY H H 13 8.403 8.403 8.204 0.199 19237 405 1 3 . 1 1 14 14 VAL N N 14 119.976 119.976 120.463 -0.487 19237 406 1 3 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.268 -0.203 19237 407 1 3 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.117 2.306 19237 408 1 3 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.581 -0.044 19237 409 1 3 . 1 1 14 14 VAL H H 14 8.540 8.540 8.196 0.344 19237 410 1 3 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.105 -0.159 19237 411 1 3 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.353 -0.434 19237 412 1 3 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.024 10.636 19237 413 1 3 . 1 1 15 15 CYS H H 15 8.289 8.289 8.309 -0.020 19237 414 1 3 . 1 1 16 16 GLY N N 16 114.030 114.030 112.082 1.948 19237 415 1 3 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.125 0.683 19237 416 1 3 . 1 1 16 16 GLY H H 16 8.610 8.610 8.722 -0.112 19237 417 1 3 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.826 0.050 19237 418 1 3 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.557 0.798 19237 419 1 3 . 1 1 17 17 ASN H H 17 7.335 7.335 7.621 -0.286 19237 420 1 3 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.690 -0.438 19237 421 1 3 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.816 0.665 19237 422 1 3 . 1 1 18 18 ASN H H 18 9.056 9.056 8.739 0.317 19237 423 1 3 . 1 1 19 19 GLY N N 19 107.723 107.723 109.537 -1.814 19237 424 1 3 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.199 1.771 19237 425 1 3 . 1 1 19 19 GLY H H 19 8.565 8.565 8.339 0.226 19237 426 1 3 . 1 1 20 20 ALA N N 20 124.931 124.931 124.867 0.064 19237 427 1 3 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.255 0.103 19237 428 1 3 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.844 0.914 19237 429 1 3 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.194 1.340 19237 430 1 3 . 1 1 20 20 ALA H H 20 7.949 7.949 8.431 -0.482 19237 431 1 3 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.903 0.271 19237 432 1 3 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.580 -2.297 19237 433 1 3 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.817 12.985 19237 434 1 3 . 1 1 21 21 CYS H H 21 7.335 7.335 8.087 -0.752 19237 435 1 3 . 1 1 22 22 ARG N N 22 122.243 122.243 121.166 1.077 19237 436 1 3 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.742 -0.493 19237 437 1 3 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.746 -5.697 19237 438 1 3 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.781 -0.033 19237 439 1 3 . 1 1 22 22 ARG H H 22 8.494 8.494 7.694 0.800 19237 440 1 3 . 1 1 23 23 ASN N N 23 114.938 114.938 117.725 -2.787 19237 441 1 3 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.369 0.030 19237 442 1 3 . 1 1 23 23 ASN H H 23 8.271 8.271 8.577 -0.306 19237 443 1 3 . 1 1 24 24 GLN N N 24 120.890 120.890 120.079 0.811 19237 444 1 3 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.064 0.043 19237 445 1 3 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.034 -0.070 19237 446 1 3 . 1 1 24 24 GLN H H 24 8.221 8.221 7.982 0.239 19237 447 1 3 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.241 -0.000 19237 448 1 3 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.967 -2.602 19237 449 1 3 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.556 12.476 19237 450 1 3 . 1 1 25 25 CYS H H 25 8.747 8.747 8.053 0.694 19237 451 1 3 . 1 1 26 26 ILE N N 26 119.696 119.696 121.636 -1.940 19237 452 1 3 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.167 -0.315 19237 453 1 3 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.454 2.577 19237 454 1 3 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.590 3.762 19237 455 1 3 . 1 1 26 26 ILE H H 26 8.198 8.198 7.956 0.242 19237 456 1 3 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.220 -0.079 19237 457 1 3 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.383 1.124 19237 458 1 3 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.138 1.904 19237 459 1 3 . 1 1 27 27 ARG H H 27 8.736 8.736 7.702 1.034 19237 460 1 3 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.173 0.548 19237 461 1 3 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.977 -1.357 19237 462 1 3 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.113 1.609 19237 463 1 3 . 1 1 28 28 LEU H H 28 8.572 8.572 8.597 -0.025 19237 464 1 3 . 1 1 29 29 GLU N N 29 115.746 115.746 116.431 -0.685 19237 465 1 3 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.320 0.490 19237 466 1 3 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.830 0.114 19237 467 1 3 . 1 1 29 29 GLU CB C 29 31.048 31.048 29.682 1.366 19237 468 1 3 . 1 1 29 29 GLU H H 29 7.032 7.032 8.000 -0.968 19237 469 1 3 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.181 0.065 19237 470 1 3 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.894 1.309 19237 471 1 3 . 1 1 30 30 LYS H H 30 7.475 7.475 7.723 -0.248 19237 472 1 3 . 1 1 31 31 ALA N N 31 120.618 120.618 120.633 -0.015 19237 473 1 3 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.935 0.074 19237 474 1 3 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.611 0.196 19237 475 1 3 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.045 -6.023 19237 476 1 3 . 1 1 31 31 ALA H H 31 7.974 7.974 8.183 -0.209 19237 477 1 3 . 1 1 32 32 ARG N N 32 113.739 113.739 121.977 -8.238 19237 478 1 3 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.430 0.052 19237 479 1 3 . 1 1 32 32 ARG H H 32 8.230 8.230 8.473 -0.243 19237 480 1 3 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.699 0.051 19237 481 1 3 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.573 0.868 19237 482 1 3 . 1 1 33 33 HIS H H 33 7.683 7.683 7.641 0.043 19237 483 1 3 . 1 1 34 34 GLY N N 34 110.723 110.723 105.586 5.137 19237 484 1 3 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.272 2.185 19237 485 1 3 . 1 1 34 34 GLY H H 34 6.313 6.313 7.138 -0.825 19237 486 1 3 . 1 1 35 35 SER HA H 35 4.118 4.118 4.597 -0.479 19237 487 1 3 . 1 1 35 35 SER CA C 35 61.816 61.816 58.106 3.710 19237 488 1 3 . 1 1 35 35 SER CB C 35 73.315 73.315 65.489 7.826 19237 489 1 3 . 1 1 35 35 SER H H 35 9.075 9.075 8.744 0.331 19237 490 1 3 . 1 1 36 36 CYS HA H 36 5.455 5.455 5.001 0.454 19237 491 1 3 . 1 1 36 36 CYS CA C 36 52.833 52.833 56.568 -3.735 19237 492 1 3 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.286 11.973 19237 493 1 3 . 1 1 36 36 CYS H H 36 8.552 8.552 8.913 -0.361 19237 494 1 3 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.589 0.410 19237 495 1 3 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.073 -0.985 19237 496 1 3 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.525 3.225 19237 497 1 3 . 1 1 37 37 ASN H H 37 9.079 9.079 7.964 1.115 19237 498 1 3 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.139 0.069 19237 499 1 3 . 1 1 38 38 TYR H H 38 8.829 8.829 8.752 0.078 19237 500 1 3 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.951 -0.064 19237 501 1 3 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.119 3.743 19237 502 1 3 . 1 1 39 39 VAL H H 39 7.680 7.680 7.500 0.180 19237 503 1 3 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.693 0.263 19237 504 1 3 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.298 0.267 19237 505 1 3 . 1 1 40 40 PHE H H 40 8.441 8.441 8.000 0.441 19237 506 1 3 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.474 0.394 19237 507 1 3 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.868 0.749 19237 508 1 3 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.706 0.071 19237 509 1 3 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.715 1.883 19237 510 1 3 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.856 1.412 19237 511 1 3 . 1 1 42 42 ALA H H 42 8.286 8.286 7.433 0.853 19237 512 1 3 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.300 -0.346 19237 513 1 3 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.252 0.345 19237 514 1 3 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.922 0.283 19237 515 1 3 . 1 1 43 43 HIS H H 43 8.588 8.588 8.701 -0.113 19237 516 1 3 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.789 -0.122 19237 517 1 3 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.628 1.936 19237 518 1 3 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.378 0.640 19237 519 1 3 . 1 1 44 44 LYS H H 44 8.825 8.825 8.873 -0.048 19237 520 1 3 . 1 1 45 45 CYS N N 45 120.533 120.533 122.260 -1.727 19237 521 1 3 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.205 0.509 19237 522 1 3 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.858 10.562 19237 523 1 3 . 1 1 45 45 CYS H H 45 9.154 9.154 8.661 0.493 19237 524 1 3 . 1 1 46 46 ILE N N 46 133.530 133.530 130.208 3.322 19237 525 1 3 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.651 -0.492 19237 526 1 3 . 1 1 46 46 ILE CA C 46 58.950 58.950 59.049 -0.099 19237 527 1 3 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.336 -0.985 19237 528 1 3 . 1 1 46 46 ILE H H 46 8.773 8.773 8.940 -0.167 19237 529 1 3 . 1 1 47 47 CYS N N 47 120.445 120.445 127.273 -6.828 19237 530 1 3 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.580 0.761 19237 531 1 3 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.371 -6.283 19237 532 1 3 . 1 1 47 47 CYS H H 47 8.520 8.520 9.060 -0.540 19237 533 1 3 . 1 1 48 48 TYR N N 48 116.569 116.569 121.918 -5.349 19237 534 1 3 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.650 0.630 19237 535 1 3 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.074 1.829 19237 536 1 3 . 1 1 48 48 TYR CB C 48 42.520 42.520 38.814 3.706 19237 537 1 3 . 1 1 48 48 TYR H H 48 7.870 7.870 9.248 -1.378 19237 538 1 3 . 1 1 49 49 PHE N N 49 122.029 122.029 122.603 -0.574 19237 539 1 3 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.972 -0.011 19237 540 1 3 . 1 1 49 49 PHE H H 49 9.162 9.162 8.756 0.406 19237 541 1 3 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.674 0.220 19237 542 1 3 . 1 1 50 50 PRO CA C 50 64.668 64.668 62.754 1.914 19237 543 1 3 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.122 1.796 19237 544 1 4 . 1 1 3 3 LEU HA H 3 5.129 5.129 5.276 -0.147 19237 545 1 4 . 1 1 3 3 LEU CA C 3 54.667 54.667 53.995 0.672 19237 546 1 4 . 1 1 3 3 LEU CB C 3 46.077 46.077 45.341 0.736 19237 547 1 4 . 1 1 3 3 LEU H H 3 8.460 8.460 7.891 0.569 19237 548 1 4 . 1 1 4 4 CYS N N 4 122.129 122.129 123.997 -1.868 19237 549 1 4 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.691 0.443 19237 550 1 4 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.427 2.001 19237 551 1 4 . 1 1 4 4 CYS H H 4 9.717 9.717 9.313 0.404 19237 552 1 4 . 1 1 5 5 GLU N N 5 122.663 122.663 125.791 -3.128 19237 553 1 4 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.479 -0.000 19237 554 1 4 . 1 1 5 5 GLU H H 5 8.801 8.801 8.639 0.162 19237 555 1 4 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.856 -0.094 19237 556 1 4 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.696 1.259 19237 557 1 4 . 1 1 6 6 LYS H H 6 9.057 9.057 9.032 0.025 19237 558 1 4 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.454 0.014 19237 559 1 4 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.069 1.321 19237 560 1 4 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.802 1.194 19237 561 1 4 . 1 1 8 8 SER HA H 8 4.751 4.751 4.394 0.357 19237 562 1 4 . 1 1 8 8 SER CA C 8 59.388 59.388 59.504 -0.116 19237 563 1 4 . 1 1 8 8 SER CB C 8 65.016 65.016 64.034 0.982 19237 564 1 4 . 1 1 8 8 SER H H 8 8.628 8.628 8.464 0.164 19237 565 1 4 . 1 1 9 9 GLY N N 9 119.742 119.742 113.596 6.146 19237 566 1 4 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.467 0.810 19237 567 1 4 . 1 1 9 9 GLY H H 9 10.642 10.642 8.634 2.008 19237 568 1 4 . 1 1 10 10 THR N N 10 109.252 109.252 112.515 -3.263 19237 569 1 4 . 1 1 10 10 THR HA H 10 4.506 4.506 4.523 -0.017 19237 570 1 4 . 1 1 10 10 THR CA C 10 63.146 63.146 62.239 0.907 19237 571 1 4 . 1 1 10 10 THR CB C 10 71.462 71.462 70.138 1.325 19237 572 1 4 . 1 1 10 10 THR H H 10 8.204 8.204 7.919 0.285 19237 573 1 4 . 1 1 11 11 TRP N N 11 125.850 125.850 124.361 1.489 19237 574 1 4 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.704 -0.578 19237 575 1 4 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.652 0.680 19237 576 1 4 . 1 1 11 11 TRP CB C 11 30.028 30.028 30.710 -0.683 19237 577 1 4 . 1 1 11 11 TRP H H 11 8.151 8.151 7.795 0.356 19237 578 1 4 . 1 1 12 12 SER N N 12 123.082 123.082 117.861 5.221 19237 579 1 4 . 1 1 12 12 SER HA H 12 4.642 4.642 4.789 -0.147 19237 580 1 4 . 1 1 12 12 SER CA C 12 57.769 57.769 57.884 -0.115 19237 581 1 4 . 1 1 12 12 SER CB C 12 65.589 65.589 65.138 0.451 19237 582 1 4 . 1 1 12 12 SER H H 12 7.364 7.364 8.130 -0.766 19237 583 1 4 . 1 1 13 13 GLY N N 13 111.342 111.342 113.430 -2.088 19237 584 1 4 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.794 0.190 19237 585 1 4 . 1 1 13 13 GLY H H 13 8.403 8.403 8.397 0.006 19237 586 1 4 . 1 1 14 14 VAL N N 14 119.976 119.976 121.562 -1.586 19237 587 1 4 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.236 -0.171 19237 588 1 4 . 1 1 14 14 VAL CA C 14 64.423 64.423 63.166 1.257 19237 589 1 4 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.356 0.181 19237 590 1 4 . 1 1 14 14 VAL H H 14 8.540 8.540 8.214 0.326 19237 591 1 4 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.290 -0.344 19237 592 1 4 . 1 1 15 15 CYS CA C 15 57.919 57.919 56.822 1.097 19237 593 1 4 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.977 10.684 19237 594 1 4 . 1 1 15 15 CYS H H 15 8.289 8.289 8.030 0.259 19237 595 1 4 . 1 1 16 16 GLY N N 16 114.030 114.030 108.096 5.934 19237 596 1 4 . 1 1 16 16 GLY CA C 16 45.808 45.808 44.872 0.936 19237 597 1 4 . 1 1 16 16 GLY H H 16 8.610 8.610 8.883 -0.273 19237 598 1 4 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.960 -0.083 19237 599 1 4 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.848 0.507 19237 600 1 4 . 1 1 17 17 ASN H H 17 7.335 7.335 8.079 -0.744 19237 601 1 4 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.445 -0.193 19237 602 1 4 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.104 1.377 19237 603 1 4 . 1 1 18 18 ASN H H 18 9.056 9.056 8.874 0.182 19237 604 1 4 . 1 1 19 19 GLY N N 19 107.723 107.723 107.587 0.136 19237 605 1 4 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.267 1.703 19237 606 1 4 . 1 1 19 19 GLY H H 19 8.565 8.565 8.400 0.165 19237 607 1 4 . 1 1 20 20 ALA N N 20 124.931 124.931 123.616 1.315 19237 608 1 4 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.193 0.165 19237 609 1 4 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.983 0.775 19237 610 1 4 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.375 1.159 19237 611 1 4 . 1 1 20 20 ALA H H 20 7.949 7.949 7.991 -0.042 19237 612 1 4 . 1 1 21 21 CYS HA H 21 4.174 4.174 4.059 0.115 19237 613 1 4 . 1 1 21 21 CYS CA C 21 59.283 59.283 63.215 -3.932 19237 614 1 4 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.945 12.857 19237 615 1 4 . 1 1 21 21 CYS H H 21 7.335 7.335 8.000 -0.665 19237 616 1 4 . 1 1 22 22 ARG N N 22 122.243 122.243 120.764 1.479 19237 617 1 4 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.678 -0.429 19237 618 1 4 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.974 -5.925 19237 619 1 4 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.737 0.011 19237 620 1 4 . 1 1 22 22 ARG H H 22 8.494 8.494 8.059 0.435 19237 621 1 4 . 1 1 23 23 ASN N N 23 114.938 114.938 117.339 -2.401 19237 622 1 4 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.356 0.043 19237 623 1 4 . 1 1 23 23 ASN H H 23 8.271 8.271 8.402 -0.131 19237 624 1 4 . 1 1 24 24 GLN N N 24 120.890 120.890 119.998 0.892 19237 625 1 4 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.069 0.038 19237 626 1 4 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.064 -0.100 19237 627 1 4 . 1 1 24 24 GLN H H 24 8.221 8.221 8.211 0.010 19237 628 1 4 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.244 -0.003 19237 629 1 4 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.121 -2.756 19237 630 1 4 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.600 12.432 19237 631 1 4 . 1 1 25 25 CYS H H 25 8.747 8.747 8.617 0.130 19237 632 1 4 . 1 1 26 26 ILE N N 26 119.696 119.696 121.540 -1.844 19237 633 1 4 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.100 -0.248 19237 634 1 4 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.268 2.763 19237 635 1 4 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.462 3.890 19237 636 1 4 . 1 1 26 26 ILE H H 26 8.198 8.198 8.273 -0.075 19237 637 1 4 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.150 -0.009 19237 638 1 4 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.372 1.135 19237 639 1 4 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.546 1.496 19237 640 1 4 . 1 1 27 27 ARG H H 27 8.736 8.736 7.965 0.771 19237 641 1 4 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.392 0.329 19237 642 1 4 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.290 0.331 19237 643 1 4 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.597 1.125 19237 644 1 4 . 1 1 28 28 LEU H H 28 8.572 8.572 8.246 0.326 19237 645 1 4 . 1 1 29 29 GLU N N 29 115.746 115.746 115.431 0.315 19237 646 1 4 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.566 0.244 19237 647 1 4 . 1 1 29 29 GLU CA C 29 56.943 56.943 55.739 1.204 19237 648 1 4 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.829 0.219 19237 649 1 4 . 1 1 29 29 GLU H H 29 7.032 7.032 7.652 -0.620 19237 650 1 4 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.044 0.202 19237 651 1 4 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.163 1.040 19237 652 1 4 . 1 1 30 30 LYS H H 30 7.475 7.475 7.704 -0.229 19237 653 1 4 . 1 1 31 31 ALA N N 31 120.618 120.618 119.917 0.701 19237 654 1 4 . 1 1 31 31 ALA HA H 31 4.009 4.009 4.027 -0.018 19237 655 1 4 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.299 0.508 19237 656 1 4 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.230 -6.208 19237 657 1 4 . 1 1 31 31 ALA H H 31 7.974 7.974 8.012 -0.038 19237 658 1 4 . 1 1 32 32 ARG N N 32 113.739 113.739 120.283 -6.544 19237 659 1 4 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.451 0.031 19237 660 1 4 . 1 1 32 32 ARG H H 32 8.230 8.230 8.317 -0.087 19237 661 1 4 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.649 0.101 19237 662 1 4 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.303 1.138 19237 663 1 4 . 1 1 33 33 HIS H H 33 7.683 7.683 7.548 0.135 19237 664 1 4 . 1 1 34 34 GLY N N 34 110.723 110.723 106.675 4.048 19237 665 1 4 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.149 2.308 19237 666 1 4 . 1 1 34 34 GLY H H 34 6.313 6.313 7.045 -0.732 19237 667 1 4 . 1 1 35 35 SER HA H 35 4.118 4.118 4.798 -0.680 19237 668 1 4 . 1 1 35 35 SER CA C 35 61.816 61.816 57.656 4.160 19237 669 1 4 . 1 1 35 35 SER CB C 35 73.315 73.315 65.435 7.880 19237 670 1 4 . 1 1 35 35 SER H H 35 9.075 9.075 8.977 0.097 19237 671 1 4 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.972 0.483 19237 672 1 4 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.841 -5.008 19237 673 1 4 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.115 12.144 19237 674 1 4 . 1 1 36 36 CYS H H 36 8.552 8.552 8.632 -0.080 19237 675 1 4 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.694 0.305 19237 676 1 4 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.833 -0.745 19237 677 1 4 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.742 3.007 19237 678 1 4 . 1 1 37 37 ASN H H 37 9.079 9.079 8.245 0.834 19237 679 1 4 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.511 -0.303 19237 680 1 4 . 1 1 38 38 TYR H H 38 8.829 8.829 8.608 0.221 19237 681 1 4 . 1 1 39 39 VAL HA H 39 3.887 3.887 4.043 -0.156 19237 682 1 4 . 1 1 39 39 VAL CA C 39 64.862 64.862 60.810 4.052 19237 683 1 4 . 1 1 39 39 VAL H H 39 7.680 7.680 7.943 -0.263 19237 684 1 4 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.775 0.181 19237 685 1 4 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.672 -0.107 19237 686 1 4 . 1 1 40 40 PHE H H 40 8.441 8.441 8.338 0.103 19237 687 1 4 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.772 0.096 19237 688 1 4 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.922 0.695 19237 689 1 4 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.626 0.151 19237 690 1 4 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.519 2.079 19237 691 1 4 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.155 2.113 19237 692 1 4 . 1 1 42 42 ALA H H 42 8.286 8.286 7.373 0.913 19237 693 1 4 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.355 -0.401 19237 694 1 4 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.464 1.133 19237 695 1 4 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.758 0.447 19237 696 1 4 . 1 1 43 43 HIS H H 43 8.588 8.588 8.601 -0.013 19237 697 1 4 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.710 -0.043 19237 698 1 4 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.625 1.939 19237 699 1 4 . 1 1 44 44 LYS CB C 44 37.018 37.018 34.937 2.082 19237 700 1 4 . 1 1 44 44 LYS H H 44 8.825 8.825 8.726 0.099 19237 701 1 4 . 1 1 45 45 CYS N N 45 120.533 120.533 123.999 -3.466 19237 702 1 4 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.149 0.565 19237 703 1 4 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.447 10.973 19237 704 1 4 . 1 1 45 45 CYS H H 45 9.154 9.154 8.836 0.318 19237 705 1 4 . 1 1 46 46 ILE N N 46 133.530 133.530 129.411 4.119 19237 706 1 4 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.687 -0.528 19237 707 1 4 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.836 0.114 19237 708 1 4 . 1 1 46 46 ILE CB C 46 38.351 38.351 40.120 -1.769 19237 709 1 4 . 1 1 46 46 ILE H H 46 8.773 8.773 8.318 0.455 19237 710 1 4 . 1 1 47 47 CYS N N 47 120.445 120.445 126.267 -5.822 19237 711 1 4 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.730 0.611 19237 712 1 4 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.010 -5.922 19237 713 1 4 . 1 1 47 47 CYS H H 47 8.520 8.520 9.302 -0.782 19237 714 1 4 . 1 1 48 48 TYR N N 48 116.569 116.569 119.526 -2.957 19237 715 1 4 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.710 0.570 19237 716 1 4 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.023 1.881 19237 717 1 4 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.491 3.029 19237 718 1 4 . 1 1 48 48 TYR H H 48 7.870 7.870 9.274 -1.404 19237 719 1 4 . 1 1 49 49 PHE N N 49 122.029 122.029 121.492 0.537 19237 720 1 4 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.000 -0.038 19237 721 1 4 . 1 1 49 49 PHE H H 49 9.162 9.162 8.527 0.635 19237 722 1 4 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.598 0.296 19237 723 1 4 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.505 1.163 19237 724 1 4 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.054 1.864 19237 725 1 5 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.275 0.854 19237 726 1 5 . 1 1 3 3 LEU CA C 3 54.667 54.667 55.992 -1.325 19237 727 1 5 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.256 3.821 19237 728 1 5 . 1 1 3 3 LEU H H 3 8.460 8.460 8.300 0.160 19237 729 1 5 . 1 1 4 4 CYS N N 4 122.129 122.129 124.964 -2.835 19237 730 1 5 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.555 0.579 19237 731 1 5 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.868 1.560 19237 732 1 5 . 1 1 4 4 CYS H H 4 9.717 9.717 8.965 0.752 19237 733 1 5 . 1 1 5 5 GLU N N 5 122.663 122.663 125.669 -3.006 19237 734 1 5 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.616 -0.137 19237 735 1 5 . 1 1 5 5 GLU H H 5 8.801 8.801 8.627 0.173 19237 736 1 5 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.880 -0.118 19237 737 1 5 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.593 1.362 19237 738 1 5 . 1 1 6 6 LYS H H 6 9.057 9.057 9.034 0.023 19237 739 1 5 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.473 -0.005 19237 740 1 5 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.023 1.367 19237 741 1 5 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.857 1.139 19237 742 1 5 . 1 1 8 8 SER HA H 8 4.751 4.751 4.384 0.367 19237 743 1 5 . 1 1 8 8 SER CA C 8 59.388 59.388 59.437 -0.049 19237 744 1 5 . 1 1 8 8 SER CB C 8 65.016 65.016 63.997 1.019 19237 745 1 5 . 1 1 8 8 SER H H 8 8.628 8.628 8.354 0.274 19237 746 1 5 . 1 1 9 9 GLY N N 9 119.742 119.742 113.732 6.010 19237 747 1 5 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.404 0.872 19237 748 1 5 . 1 1 9 9 GLY H H 9 10.642 10.642 9.164 1.478 19237 749 1 5 . 1 1 10 10 THR N N 10 109.252 109.252 112.063 -2.811 19237 750 1 5 . 1 1 10 10 THR HA H 10 4.506 4.506 4.534 -0.028 19237 751 1 5 . 1 1 10 10 THR CA C 10 63.146 63.146 61.610 1.536 19237 752 1 5 . 1 1 10 10 THR CB C 10 71.462 71.462 70.240 1.222 19237 753 1 5 . 1 1 10 10 THR H H 10 8.204 8.204 7.854 0.350 19237 754 1 5 . 1 1 11 11 TRP N N 11 125.850 125.850 124.520 1.330 19237 755 1 5 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.812 -0.686 19237 756 1 5 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.590 0.743 19237 757 1 5 . 1 1 11 11 TRP CB C 11 30.028 30.028 30.677 -0.649 19237 758 1 5 . 1 1 11 11 TRP H H 11 8.151 8.151 7.972 0.179 19237 759 1 5 . 1 1 12 12 SER N N 12 123.082 123.082 117.341 5.741 19237 760 1 5 . 1 1 12 12 SER HA H 12 4.642 4.642 4.690 -0.048 19237 761 1 5 . 1 1 12 12 SER CA C 12 57.769 57.769 58.129 -0.360 19237 762 1 5 . 1 1 12 12 SER CB C 12 65.589 65.589 64.095 1.494 19237 763 1 5 . 1 1 12 12 SER H H 12 7.364 7.364 7.940 -0.576 19237 764 1 5 . 1 1 13 13 GLY N N 13 111.342 111.342 113.578 -2.236 19237 765 1 5 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.595 0.389 19237 766 1 5 . 1 1 13 13 GLY H H 13 8.403 8.403 8.383 0.020 19237 767 1 5 . 1 1 14 14 VAL N N 14 119.976 119.976 121.115 -1.139 19237 768 1 5 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.423 -0.358 19237 769 1 5 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.407 2.016 19237 770 1 5 . 1 1 14 14 VAL CB C 14 33.537 33.537 31.698 1.839 19237 771 1 5 . 1 1 14 14 VAL H H 14 8.540 8.540 8.245 0.295 19237 772 1 5 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.182 -0.236 19237 773 1 5 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.021 -0.102 19237 774 1 5 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.049 10.612 19237 775 1 5 . 1 1 15 15 CYS H H 15 8.289 8.289 8.230 0.059 19237 776 1 5 . 1 1 16 16 GLY N N 16 114.030 114.030 107.671 6.359 19237 777 1 5 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.041 0.767 19237 778 1 5 . 1 1 16 16 GLY H H 16 8.610 8.610 8.801 -0.191 19237 779 1 5 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.819 0.057 19237 780 1 5 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.765 0.590 19237 781 1 5 . 1 1 17 17 ASN H H 17 7.335 7.335 7.939 -0.604 19237 782 1 5 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.380 -0.128 19237 783 1 5 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.487 0.994 19237 784 1 5 . 1 1 18 18 ASN H H 18 9.056 9.056 8.758 0.298 19237 785 1 5 . 1 1 19 19 GLY N N 19 107.723 107.723 107.889 -0.166 19237 786 1 5 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.285 1.685 19237 787 1 5 . 1 1 19 19 GLY H H 19 8.565 8.565 8.458 0.107 19237 788 1 5 . 1 1 20 20 ALA N N 20 124.931 124.931 124.686 0.245 19237 789 1 5 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.291 0.067 19237 790 1 5 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.793 0.965 19237 791 1 5 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.317 1.217 19237 792 1 5 . 1 1 20 20 ALA H H 20 7.949 7.949 8.376 -0.427 19237 793 1 5 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.827 0.347 19237 794 1 5 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.234 -1.951 19237 795 1 5 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.750 13.052 19237 796 1 5 . 1 1 21 21 CYS H H 21 7.335 7.335 7.782 -0.447 19237 797 1 5 . 1 1 22 22 ARG N N 22 122.243 122.243 121.393 0.850 19237 798 1 5 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.712 -0.463 19237 799 1 5 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.831 -5.782 19237 800 1 5 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.802 -0.054 19237 801 1 5 . 1 1 22 22 ARG H H 22 8.494 8.494 8.242 0.252 19237 802 1 5 . 1 1 23 23 ASN N N 23 114.938 114.938 117.887 -2.949 19237 803 1 5 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.359 0.040 19237 804 1 5 . 1 1 23 23 ASN H H 23 8.271 8.271 8.609 -0.338 19237 805 1 5 . 1 1 24 24 GLN N N 24 120.890 120.890 119.992 0.898 19237 806 1 5 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.072 0.035 19237 807 1 5 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.037 -0.073 19237 808 1 5 . 1 1 24 24 GLN H H 24 8.221 8.221 7.937 0.284 19237 809 1 5 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.251 -0.010 19237 810 1 5 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.030 -2.665 19237 811 1 5 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.618 12.414 19237 812 1 5 . 1 1 25 25 CYS H H 25 8.747 8.747 8.164 0.583 19237 813 1 5 . 1 1 26 26 ILE N N 26 119.696 119.696 121.496 -1.800 19237 814 1 5 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.219 -0.367 19237 815 1 5 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.431 2.600 19237 816 1 5 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.293 4.059 19237 817 1 5 . 1 1 26 26 ILE H H 26 8.198 8.198 8.330 -0.132 19237 818 1 5 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.219 -0.078 19237 819 1 5 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.162 2.345 19237 820 1 5 . 1 1 27 27 ARG CB C 27 32.042 32.042 29.830 2.212 19237 821 1 5 . 1 1 27 27 ARG H H 27 8.736 8.736 8.185 0.551 19237 822 1 5 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.264 0.457 19237 823 1 5 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.676 -1.055 19237 824 1 5 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.158 1.564 19237 825 1 5 . 1 1 28 28 LEU H H 28 8.572 8.572 8.399 0.173 19237 826 1 5 . 1 1 29 29 GLU N N 29 115.746 115.746 116.819 -1.073 19237 827 1 5 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.345 0.465 19237 828 1 5 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.526 0.416 19237 829 1 5 . 1 1 29 29 GLU CB C 29 31.048 31.048 29.784 1.264 19237 830 1 5 . 1 1 29 29 GLU H H 29 7.032 7.032 7.901 -0.869 19237 831 1 5 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.159 0.087 19237 832 1 5 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.980 1.223 19237 833 1 5 . 1 1 30 30 LYS H H 30 7.475 7.475 7.693 -0.218 19237 834 1 5 . 1 1 31 31 ALA N N 31 120.618 120.618 119.915 0.703 19237 835 1 5 . 1 1 31 31 ALA HA H 31 4.009 4.009 4.085 -0.076 19237 836 1 5 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.173 0.634 19237 837 1 5 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.339 -6.317 19237 838 1 5 . 1 1 31 31 ALA H H 31 7.974 7.974 8.219 -0.245 19237 839 1 5 . 1 1 32 32 ARG N N 32 113.739 113.739 121.488 -7.749 19237 840 1 5 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.388 0.094 19237 841 1 5 . 1 1 32 32 ARG H H 32 8.230 8.230 8.463 -0.233 19237 842 1 5 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.663 0.087 19237 843 1 5 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.297 1.143 19237 844 1 5 . 1 1 33 33 HIS H H 33 7.683 7.683 7.529 0.154 19237 845 1 5 . 1 1 34 34 GLY N N 34 110.723 110.723 106.710 4.013 19237 846 1 5 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.988 2.469 19237 847 1 5 . 1 1 34 34 GLY H H 34 6.313 6.313 6.981 -0.668 19237 848 1 5 . 1 1 35 35 SER HA H 35 4.118 4.118 4.707 -0.589 19237 849 1 5 . 1 1 35 35 SER CA C 35 61.816 61.816 56.614 5.202 19237 850 1 5 . 1 1 35 35 SER CB C 35 73.315 73.315 65.903 7.412 19237 851 1 5 . 1 1 35 35 SER H H 35 9.075 9.075 8.927 0.148 19237 852 1 5 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.891 0.564 19237 853 1 5 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.565 -4.732 19237 854 1 5 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.401 11.858 19237 855 1 5 . 1 1 36 36 CYS H H 36 8.552 8.552 8.776 -0.224 19237 856 1 5 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.657 0.342 19237 857 1 5 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.089 -1.001 19237 858 1 5 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.874 2.876 19237 859 1 5 . 1 1 37 37 ASN H H 37 9.079 9.079 8.117 0.962 19237 860 1 5 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.321 -0.113 19237 861 1 5 . 1 1 38 38 TYR H H 38 8.829 8.829 8.771 0.058 19237 862 1 5 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.960 -0.073 19237 863 1 5 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.286 3.576 19237 864 1 5 . 1 1 39 39 VAL H H 39 7.680 7.680 7.553 0.127 19237 865 1 5 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.707 0.249 19237 866 1 5 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.255 0.310 19237 867 1 5 . 1 1 40 40 PHE H H 40 8.441 8.441 7.976 0.465 19237 868 1 5 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.441 0.427 19237 869 1 5 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.800 0.817 19237 870 1 5 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.736 0.041 19237 871 1 5 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.942 1.656 19237 872 1 5 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.753 1.515 19237 873 1 5 . 1 1 42 42 ALA H H 42 8.286 8.286 7.262 1.024 19237 874 1 5 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.231 -0.277 19237 875 1 5 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.332 0.265 19237 876 1 5 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.213 0.992 19237 877 1 5 . 1 1 43 43 HIS H H 43 8.588 8.588 8.775 -0.187 19237 878 1 5 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.790 -0.123 19237 879 1 5 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.349 2.215 19237 880 1 5 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.082 0.936 19237 881 1 5 . 1 1 44 44 LYS H H 44 8.825 8.825 8.930 -0.105 19237 882 1 5 . 1 1 45 45 CYS N N 45 120.533 120.533 123.144 -2.611 19237 883 1 5 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.270 0.444 19237 884 1 5 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.750 10.671 19237 885 1 5 . 1 1 45 45 CYS H H 45 9.154 9.154 8.849 0.305 19237 886 1 5 . 1 1 46 46 ILE N N 46 133.530 133.530 129.645 3.885 19237 887 1 5 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.809 -0.650 19237 888 1 5 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.804 0.145 19237 889 1 5 . 1 1 46 46 ILE CB C 46 38.351 38.351 38.845 -0.494 19237 890 1 5 . 1 1 46 46 ILE H H 46 8.773 8.773 8.571 0.202 19237 891 1 5 . 1 1 47 47 CYS N N 47 120.445 120.445 127.257 -6.812 19237 892 1 5 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.582 0.759 19237 893 1 5 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.406 -6.318 19237 894 1 5 . 1 1 47 47 CYS H H 47 8.520 8.520 9.266 -0.746 19237 895 1 5 . 1 1 48 48 TYR N N 48 116.569 116.569 118.883 -2.314 19237 896 1 5 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.747 0.533 19237 897 1 5 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.940 1.963 19237 898 1 5 . 1 1 48 48 TYR CB C 48 42.520 42.520 40.158 2.362 19237 899 1 5 . 1 1 48 48 TYR H H 48 7.870 7.870 9.171 -1.301 19237 900 1 5 . 1 1 49 49 PHE N N 49 122.029 122.029 121.474 0.555 19237 901 1 5 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.000 -0.039 19237 902 1 5 . 1 1 49 49 PHE H H 49 9.162 9.162 8.956 0.206 19237 903 1 5 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.382 0.512 19237 904 1 5 . 1 1 50 50 PRO CA C 50 64.668 64.668 64.142 0.526 19237 905 1 5 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.820 1.098 19237 906 1 6 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.344 0.785 19237 907 1 6 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.929 -0.262 19237 908 1 6 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.674 3.403 19237 909 1 6 . 1 1 3 3 LEU H H 3 8.460 8.460 8.253 0.207 19237 910 1 6 . 1 1 4 4 CYS N N 4 122.129 122.129 121.651 0.478 19237 911 1 6 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.647 0.487 19237 912 1 6 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.181 2.247 19237 913 1 6 . 1 1 4 4 CYS H H 4 9.717 9.717 8.644 1.073 19237 914 1 6 . 1 1 5 5 GLU N N 5 122.663 122.663 125.323 -2.660 19237 915 1 6 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.671 -0.192 19237 916 1 6 . 1 1 5 5 GLU H H 5 8.801 8.801 8.587 0.214 19237 917 1 6 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.866 -0.104 19237 918 1 6 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.414 1.541 19237 919 1 6 . 1 1 6 6 LYS H H 6 9.057 9.057 9.058 -0.001 19237 920 1 6 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.360 0.108 19237 921 1 6 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.246 1.144 19237 922 1 6 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.649 1.347 19237 923 1 6 . 1 1 8 8 SER HA H 8 4.751 4.751 4.353 0.398 19237 924 1 6 . 1 1 8 8 SER CA C 8 59.388 59.388 59.431 -0.043 19237 925 1 6 . 1 1 8 8 SER CB C 8 65.016 65.016 64.019 0.997 19237 926 1 6 . 1 1 8 8 SER H H 8 8.628 8.628 8.050 0.578 19237 927 1 6 . 1 1 9 9 GLY N N 9 119.742 119.742 113.055 6.687 19237 928 1 6 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.438 0.839 19237 929 1 6 . 1 1 9 9 GLY H H 9 10.642 10.642 9.029 1.613 19237 930 1 6 . 1 1 10 10 THR N N 10 109.252 109.252 110.483 -1.231 19237 931 1 6 . 1 1 10 10 THR HA H 10 4.506 4.506 4.527 -0.021 19237 932 1 6 . 1 1 10 10 THR CA C 10 63.146 63.146 61.436 1.710 19237 933 1 6 . 1 1 10 10 THR CB C 10 71.462 71.462 69.963 1.499 19237 934 1 6 . 1 1 10 10 THR H H 10 8.204 8.204 7.842 0.362 19237 935 1 6 . 1 1 11 11 TRP N N 11 125.850 125.850 122.567 3.283 19237 936 1 6 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.793 -0.667 19237 937 1 6 . 1 1 11 11 TRP CA C 11 59.332 59.332 56.773 2.559 19237 938 1 6 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.859 -1.831 19237 939 1 6 . 1 1 11 11 TRP H H 11 8.151 8.151 7.694 0.457 19237 940 1 6 . 1 1 12 12 SER N N 12 123.082 123.082 115.566 7.516 19237 941 1 6 . 1 1 12 12 SER HA H 12 4.642 4.642 4.657 -0.015 19237 942 1 6 . 1 1 12 12 SER CA C 12 57.769 57.769 58.053 -0.284 19237 943 1 6 . 1 1 12 12 SER CB C 12 65.589 65.589 64.609 0.980 19237 944 1 6 . 1 1 12 12 SER H H 12 7.364 7.364 8.243 -0.879 19237 945 1 6 . 1 1 13 13 GLY N N 13 111.342 111.342 110.600 0.742 19237 946 1 6 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.633 0.351 19237 947 1 6 . 1 1 13 13 GLY H H 13 8.403 8.403 8.141 0.262 19237 948 1 6 . 1 1 14 14 VAL N N 14 119.976 119.976 121.011 -1.035 19237 949 1 6 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.209 -0.144 19237 950 1 6 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.088 2.335 19237 951 1 6 . 1 1 14 14 VAL CB C 14 33.537 33.537 31.791 1.746 19237 952 1 6 . 1 1 14 14 VAL H H 14 8.540 8.540 8.361 0.179 19237 953 1 6 . 1 1 15 15 CYS HA H 15 4.946 4.946 4.922 0.024 19237 954 1 6 . 1 1 15 15 CYS CA C 15 57.919 57.919 59.260 -1.341 19237 955 1 6 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.125 11.537 19237 956 1 6 . 1 1 15 15 CYS H H 15 8.289 8.289 8.509 -0.220 19237 957 1 6 . 1 1 16 16 GLY N N 16 114.030 114.030 113.803 0.227 19237 958 1 6 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.311 0.497 19237 959 1 6 . 1 1 16 16 GLY H H 16 8.610 8.610 8.799 -0.189 19237 960 1 6 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.990 -0.114 19237 961 1 6 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.563 0.792 19237 962 1 6 . 1 1 17 17 ASN H H 17 7.335 7.335 7.976 -0.641 19237 963 1 6 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.492 -0.240 19237 964 1 6 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.109 1.372 19237 965 1 6 . 1 1 18 18 ASN H H 18 9.056 9.056 8.908 0.148 19237 966 1 6 . 1 1 19 19 GLY N N 19 107.723 107.723 108.167 -0.444 19237 967 1 6 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.693 1.277 19237 968 1 6 . 1 1 19 19 GLY H H 19 8.565 8.565 8.450 0.115 19237 969 1 6 . 1 1 20 20 ALA N N 20 124.931 124.931 123.247 1.684 19237 970 1 6 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.165 0.193 19237 971 1 6 . 1 1 20 20 ALA CA C 20 55.758 55.758 55.010 0.748 19237 972 1 6 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.372 1.162 19237 973 1 6 . 1 1 20 20 ALA H H 20 7.949 7.949 7.977 -0.028 19237 974 1 6 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.929 0.245 19237 975 1 6 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.444 -2.161 19237 976 1 6 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.737 13.065 19237 977 1 6 . 1 1 21 21 CYS H H 21 7.335 7.335 7.986 -0.651 19237 978 1 6 . 1 1 22 22 ARG N N 22 122.243 122.243 121.164 1.079 19237 979 1 6 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.716 -0.467 19237 980 1 6 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.828 -5.779 19237 981 1 6 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.808 -0.060 19237 982 1 6 . 1 1 22 22 ARG H H 22 8.494 8.494 8.291 0.203 19237 983 1 6 . 1 1 23 23 ASN N N 23 114.938 114.938 117.952 -3.014 19237 984 1 6 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.400 -0.001 19237 985 1 6 . 1 1 23 23 ASN H H 23 8.271 8.271 8.545 -0.274 19237 986 1 6 . 1 1 24 24 GLN N N 24 120.890 120.890 120.065 0.825 19237 987 1 6 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.042 0.065 19237 988 1 6 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.059 -0.095 19237 989 1 6 . 1 1 24 24 GLN H H 24 8.221 8.221 8.312 -0.091 19237 990 1 6 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.279 -0.038 19237 991 1 6 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.144 -2.779 19237 992 1 6 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.759 12.273 19237 993 1 6 . 1 1 25 25 CYS H H 25 8.747 8.747 8.224 0.523 19237 994 1 6 . 1 1 26 26 ILE N N 26 119.696 119.696 121.872 -2.176 19237 995 1 6 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.126 -0.274 19237 996 1 6 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.280 2.751 19237 997 1 6 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.450 3.902 19237 998 1 6 . 1 1 26 26 ILE H H 26 8.198 8.198 8.321 -0.123 19237 999 1 6 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.168 -0.027 19237 1000 1 6 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.043 1.464 19237 1001 1 6 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.429 1.613 19237 1002 1 6 . 1 1 27 27 ARG H H 27 8.736 8.736 8.235 0.501 19237 1003 1 6 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.279 0.442 19237 1004 1 6 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.170 -0.549 19237 1005 1 6 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.352 1.370 19237 1006 1 6 . 1 1 28 28 LEU H H 28 8.572 8.572 8.199 0.373 19237 1007 1 6 . 1 1 29 29 GLU N N 29 115.746 115.746 115.581 0.165 19237 1008 1 6 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.513 0.297 19237 1009 1 6 . 1 1 29 29 GLU CA C 29 56.943 56.943 55.893 1.050 19237 1010 1 6 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.371 0.677 19237 1011 1 6 . 1 1 29 29 GLU H H 29 7.032 7.032 7.784 -0.752 19237 1012 1 6 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.169 0.077 19237 1013 1 6 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.002 1.201 19237 1014 1 6 . 1 1 30 30 LYS H H 30 7.475 7.475 7.718 -0.243 19237 1015 1 6 . 1 1 31 31 ALA N N 31 120.618 120.618 120.365 0.253 19237 1016 1 6 . 1 1 31 31 ALA HA H 31 4.009 4.009 4.021 -0.012 19237 1017 1 6 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.550 0.257 19237 1018 1 6 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.057 -6.035 19237 1019 1 6 . 1 1 31 31 ALA H H 31 7.974 7.974 8.210 -0.236 19237 1020 1 6 . 1 1 32 32 ARG N N 32 113.739 113.739 121.229 -7.490 19237 1021 1 6 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.258 0.224 19237 1022 1 6 . 1 1 32 32 ARG H H 32 8.230 8.230 8.198 0.032 19237 1023 1 6 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.601 0.149 19237 1024 1 6 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.390 1.051 19237 1025 1 6 . 1 1 33 33 HIS H H 33 7.683 7.683 7.414 0.269 19237 1026 1 6 . 1 1 34 34 GLY N N 34 110.723 110.723 106.999 3.724 19237 1027 1 6 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.819 2.639 19237 1028 1 6 . 1 1 34 34 GLY H H 34 6.313 6.313 7.005 -0.692 19237 1029 1 6 . 1 1 35 35 SER HA H 35 4.118 4.118 4.625 -0.507 19237 1030 1 6 . 1 1 35 35 SER CA C 35 61.816 61.816 57.580 4.237 19237 1031 1 6 . 1 1 35 35 SER CB C 35 73.315 73.315 66.234 7.081 19237 1032 1 6 . 1 1 35 35 SER H H 35 9.075 9.075 8.735 0.340 19237 1033 1 6 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.895 0.560 19237 1034 1 6 . 1 1 36 36 CYS CA C 36 52.833 52.833 56.372 -3.539 19237 1035 1 6 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.143 12.116 19237 1036 1 6 . 1 1 36 36 CYS H H 36 8.552 8.552 8.611 -0.059 19237 1037 1 6 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.653 0.346 19237 1038 1 6 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.177 -1.089 19237 1039 1 6 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.260 2.490 19237 1040 1 6 . 1 1 37 37 ASN H H 37 9.079 9.079 7.740 1.339 19237 1041 1 6 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.365 -0.157 19237 1042 1 6 . 1 1 38 38 TYR H H 38 8.829 8.829 8.590 0.239 19237 1043 1 6 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.950 -0.063 19237 1044 1 6 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.351 3.511 19237 1045 1 6 . 1 1 39 39 VAL H H 39 7.680 7.680 7.529 0.151 19237 1046 1 6 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.697 0.259 19237 1047 1 6 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.046 0.519 19237 1048 1 6 . 1 1 40 40 PHE H H 40 8.441 8.441 8.039 0.402 19237 1049 1 6 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.675 0.193 19237 1050 1 6 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.881 0.736 19237 1051 1 6 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.684 0.093 19237 1052 1 6 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.710 1.888 19237 1053 1 6 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.463 1.805 19237 1054 1 6 . 1 1 42 42 ALA H H 42 8.286 8.286 7.460 0.826 19237 1055 1 6 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.469 -0.515 19237 1056 1 6 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.759 0.838 19237 1057 1 6 . 1 1 43 43 HIS CB C 43 31.205 31.205 31.384 -0.179 19237 1058 1 6 . 1 1 43 43 HIS H H 43 8.588 8.588 8.718 -0.130 19237 1059 1 6 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.840 -0.173 19237 1060 1 6 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.593 1.971 19237 1061 1 6 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.485 0.533 19237 1062 1 6 . 1 1 44 44 LYS H H 44 8.825 8.825 8.955 -0.130 19237 1063 1 6 . 1 1 45 45 CYS N N 45 120.533 120.533 122.781 -2.248 19237 1064 1 6 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.134 0.580 19237 1065 1 6 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.943 10.477 19237 1066 1 6 . 1 1 45 45 CYS H H 45 9.154 9.154 8.658 0.496 19237 1067 1 6 . 1 1 46 46 ILE N N 46 133.530 133.530 129.462 4.068 19237 1068 1 6 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.512 -0.353 19237 1069 1 6 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.983 -0.033 19237 1070 1 6 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.654 -1.303 19237 1071 1 6 . 1 1 46 46 ILE H H 46 8.773 8.773 9.018 -0.245 19237 1072 1 6 . 1 1 47 47 CYS N N 47 120.445 120.445 127.068 -6.623 19237 1073 1 6 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.546 0.795 19237 1074 1 6 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.563 -6.475 19237 1075 1 6 . 1 1 47 47 CYS H H 47 8.520 8.520 8.904 -0.384 19237 1076 1 6 . 1 1 48 48 TYR N N 48 116.569 116.569 119.518 -2.949 19237 1077 1 6 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.692 0.588 19237 1078 1 6 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.850 2.053 19237 1079 1 6 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.357 3.163 19237 1080 1 6 . 1 1 48 48 TYR H H 48 7.870 7.870 9.136 -1.266 19237 1081 1 6 . 1 1 49 49 PHE N N 49 122.029 122.029 122.391 -0.362 19237 1082 1 6 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.989 -0.028 19237 1083 1 6 . 1 1 49 49 PHE H H 49 9.162 9.162 9.042 0.120 19237 1084 1 6 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.441 0.453 19237 1085 1 6 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.333 1.335 19237 1086 1 6 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.099 1.819 19237 1087 1 7 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.376 0.753 19237 1088 1 7 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.826 -0.159 19237 1089 1 7 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.756 3.321 19237 1090 1 7 . 1 1 3 3 LEU H H 3 8.460 8.460 8.250 0.210 19237 1091 1 7 . 1 1 4 4 CYS N N 4 122.129 122.129 121.619 0.510 19237 1092 1 7 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.689 0.445 19237 1093 1 7 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.398 2.030 19237 1094 1 7 . 1 1 4 4 CYS H H 4 9.717 9.717 8.935 0.782 19237 1095 1 7 . 1 1 5 5 GLU N N 5 122.663 122.663 124.427 -1.764 19237 1096 1 7 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.487 -0.009 19237 1097 1 7 . 1 1 5 5 GLU H H 5 8.801 8.801 8.609 0.192 19237 1098 1 7 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.869 -0.107 19237 1099 1 7 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.102 1.853 19237 1100 1 7 . 1 1 6 6 LYS H H 6 9.057 9.057 9.018 0.039 19237 1101 1 7 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.446 0.022 19237 1102 1 7 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.715 1.675 19237 1103 1 7 . 1 1 7 7 PRO CB C 7 32.996 32.996 32.377 0.619 19237 1104 1 7 . 1 1 8 8 SER HA H 8 4.751 4.751 4.342 0.409 19237 1105 1 7 . 1 1 8 8 SER CA C 8 59.388 59.388 59.032 0.356 19237 1106 1 7 . 1 1 8 8 SER CB C 8 65.016 65.016 63.545 1.471 19237 1107 1 7 . 1 1 8 8 SER H H 8 8.628 8.628 8.090 0.538 19237 1108 1 7 . 1 1 9 9 GLY N N 9 119.742 119.742 110.701 9.041 19237 1109 1 7 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.345 0.931 19237 1110 1 7 . 1 1 9 9 GLY H H 9 10.642 10.642 9.299 1.343 19237 1111 1 7 . 1 1 10 10 THR N N 10 109.252 109.252 111.222 -1.970 19237 1112 1 7 . 1 1 10 10 THR HA H 10 4.506 4.506 4.473 0.033 19237 1113 1 7 . 1 1 10 10 THR CA C 10 63.146 63.146 61.178 1.968 19237 1114 1 7 . 1 1 10 10 THR CB C 10 71.462 71.462 70.122 1.340 19237 1115 1 7 . 1 1 10 10 THR H H 10 8.204 8.204 7.665 0.539 19237 1116 1 7 . 1 1 11 11 TRP N N 11 125.850 125.850 122.512 3.338 19237 1117 1 7 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.846 -0.720 19237 1118 1 7 . 1 1 11 11 TRP CA C 11 59.332 59.332 57.569 1.762 19237 1119 1 7 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.115 -1.087 19237 1120 1 7 . 1 1 11 11 TRP H H 11 8.151 8.151 8.194 -0.043 19237 1121 1 7 . 1 1 12 12 SER N N 12 123.082 123.082 116.704 6.378 19237 1122 1 7 . 1 1 12 12 SER HA H 12 4.642 4.642 4.676 -0.034 19237 1123 1 7 . 1 1 12 12 SER CA C 12 57.769 57.769 58.064 -0.295 19237 1124 1 7 . 1 1 12 12 SER CB C 12 65.589 65.589 64.136 1.453 19237 1125 1 7 . 1 1 12 12 SER H H 12 7.364 7.364 7.918 -0.554 19237 1126 1 7 . 1 1 13 13 GLY N N 13 111.342 111.342 108.847 2.495 19237 1127 1 7 . 1 1 13 13 GLY CA C 13 44.984 44.984 45.398 -0.414 19237 1128 1 7 . 1 1 13 13 GLY H H 13 8.403 8.403 8.106 0.297 19237 1129 1 7 . 1 1 14 14 VAL N N 14 119.976 119.976 121.674 -1.698 19237 1130 1 7 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.539 -0.474 19237 1131 1 7 . 1 1 14 14 VAL CA C 14 64.423 64.423 63.623 0.800 19237 1132 1 7 . 1 1 14 14 VAL CB C 14 33.537 33.537 33.111 0.426 19237 1133 1 7 . 1 1 14 14 VAL H H 14 8.540 8.540 8.124 0.416 19237 1134 1 7 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.285 -0.339 19237 1135 1 7 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.576 0.343 19237 1136 1 7 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.237 10.424 19237 1137 1 7 . 1 1 15 15 CYS H H 15 8.289 8.289 8.534 -0.245 19237 1138 1 7 . 1 1 16 16 GLY N N 16 114.030 114.030 108.571 5.459 19237 1139 1 7 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.971 -0.163 19237 1140 1 7 . 1 1 16 16 GLY H H 16 8.610 8.610 8.925 -0.315 19237 1141 1 7 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.883 -0.007 19237 1142 1 7 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.316 1.039 19237 1143 1 7 . 1 1 17 17 ASN H H 17 7.335 7.335 8.023 -0.688 19237 1144 1 7 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.488 -0.236 19237 1145 1 7 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.083 1.399 19237 1146 1 7 . 1 1 18 18 ASN H H 18 9.056 9.056 8.922 0.134 19237 1147 1 7 . 1 1 19 19 GLY N N 19 107.723 107.723 107.366 0.357 19237 1148 1 7 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.120 1.850 19237 1149 1 7 . 1 1 19 19 GLY H H 19 8.565 8.565 8.397 0.168 19237 1150 1 7 . 1 1 20 20 ALA N N 20 124.931 124.931 123.759 1.172 19237 1151 1 7 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.205 0.153 19237 1152 1 7 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.872 0.886 19237 1153 1 7 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.373 1.161 19237 1154 1 7 . 1 1 20 20 ALA H H 20 7.949 7.949 7.822 0.127 19237 1155 1 7 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.648 0.526 19237 1156 1 7 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.200 -1.917 19237 1157 1 7 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.688 13.114 19237 1158 1 7 . 1 1 21 21 CYS H H 21 7.335 7.335 8.056 -0.721 19237 1159 1 7 . 1 1 22 22 ARG N N 22 122.243 122.243 121.238 1.005 19237 1160 1 7 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.562 -0.313 19237 1161 1 7 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.746 -5.697 19237 1162 1 7 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.663 0.085 19237 1163 1 7 . 1 1 22 22 ARG H H 22 8.494 8.494 8.031 0.463 19237 1164 1 7 . 1 1 23 23 ASN N N 23 114.938 114.938 117.345 -2.407 19237 1165 1 7 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.366 0.033 19237 1166 1 7 . 1 1 23 23 ASN H H 23 8.271 8.271 8.438 -0.167 19237 1167 1 7 . 1 1 24 24 GLN N N 24 120.890 120.890 119.940 0.950 19237 1168 1 7 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.144 -0.037 19237 1169 1 7 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.096 -0.132 19237 1170 1 7 . 1 1 24 24 GLN H H 24 8.221 8.221 7.874 0.347 19237 1171 1 7 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.243 -0.002 19237 1172 1 7 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.030 -2.665 19237 1173 1 7 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.566 12.466 19237 1174 1 7 . 1 1 25 25 CYS H H 25 8.747 8.747 8.161 0.586 19237 1175 1 7 . 1 1 26 26 ILE N N 26 119.696 119.696 121.572 -1.876 19237 1176 1 7 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.175 -0.323 19237 1177 1 7 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.411 2.620 19237 1178 1 7 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.482 3.870 19237 1179 1 7 . 1 1 26 26 ILE H H 26 8.198 8.198 8.249 -0.051 19237 1180 1 7 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.201 -0.060 19237 1181 1 7 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.110 1.397 19237 1182 1 7 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.522 1.520 19237 1183 1 7 . 1 1 27 27 ARG H H 27 8.736 8.736 7.764 0.972 19237 1184 1 7 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.240 0.481 19237 1185 1 7 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.083 -0.462 19237 1186 1 7 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.597 1.125 19237 1187 1 7 . 1 1 28 28 LEU H H 28 8.572 8.572 8.152 0.420 19237 1188 1 7 . 1 1 29 29 GLU N N 29 115.746 115.746 115.442 0.304 19237 1189 1 7 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.475 0.335 19237 1190 1 7 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.183 0.760 19237 1191 1 7 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.385 0.663 19237 1192 1 7 . 1 1 29 29 GLU H H 29 7.032 7.032 7.700 -0.668 19237 1193 1 7 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.210 0.036 19237 1194 1 7 . 1 1 30 30 LYS CA C 30 58.203 58.203 56.844 1.359 19237 1195 1 7 . 1 1 30 30 LYS H H 30 7.475 7.475 7.732 -0.257 19237 1196 1 7 . 1 1 31 31 ALA N N 31 120.618 120.618 120.798 -0.180 19237 1197 1 7 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.982 0.027 19237 1198 1 7 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.791 0.016 19237 1199 1 7 . 1 1 31 31 ALA CB C 31 14.022 14.022 19.715 -5.693 19237 1200 1 7 . 1 1 31 31 ALA H H 31 7.974 7.974 8.356 -0.382 19237 1201 1 7 . 1 1 32 32 ARG N N 32 113.739 113.739 121.484 -7.745 19237 1202 1 7 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.378 0.104 19237 1203 1 7 . 1 1 32 32 ARG H H 32 8.230 8.230 8.462 -0.232 19237 1204 1 7 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.659 0.091 19237 1205 1 7 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.392 1.049 19237 1206 1 7 . 1 1 33 33 HIS H H 33 7.683 7.683 7.546 0.137 19237 1207 1 7 . 1 1 34 34 GLY N N 34 110.723 110.723 107.342 3.381 19237 1208 1 7 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.192 2.265 19237 1209 1 7 . 1 1 34 34 GLY H H 34 6.313 6.313 7.119 -0.806 19237 1210 1 7 . 1 1 35 35 SER HA H 35 4.118 4.118 4.818 -0.700 19237 1211 1 7 . 1 1 35 35 SER CA C 35 61.816 61.816 57.106 4.710 19237 1212 1 7 . 1 1 35 35 SER CB C 35 73.315 73.315 66.305 7.010 19237 1213 1 7 . 1 1 35 35 SER H H 35 9.075 9.075 8.783 0.292 19237 1214 1 7 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.714 0.741 19237 1215 1 7 . 1 1 36 36 CYS CA C 36 52.833 52.833 58.345 -5.512 19237 1216 1 7 . 1 1 36 36 CYS CB C 36 37.259 37.259 24.865 12.394 19237 1217 1 7 . 1 1 36 36 CYS H H 36 8.552 8.552 8.685 -0.133 19237 1218 1 7 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.775 0.224 19237 1219 1 7 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.662 -0.574 19237 1220 1 7 . 1 1 37 37 ASN CB C 37 42.750 42.750 41.216 1.534 19237 1221 1 7 . 1 1 37 37 ASN H H 37 9.079 9.079 7.908 1.171 19237 1222 1 7 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.371 -0.163 19237 1223 1 7 . 1 1 38 38 TYR H H 38 8.829 8.829 8.610 0.219 19237 1224 1 7 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.909 -0.022 19237 1225 1 7 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.524 3.338 19237 1226 1 7 . 1 1 39 39 VAL H H 39 7.680 7.680 7.799 -0.119 19237 1227 1 7 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.549 0.407 19237 1228 1 7 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.097 0.468 19237 1229 1 7 . 1 1 40 40 PHE H H 40 8.441 8.441 7.923 0.518 19237 1230 1 7 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.726 0.142 19237 1231 1 7 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.798 0.819 19237 1232 1 7 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.627 0.150 19237 1233 1 7 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.574 2.024 19237 1234 1 7 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.841 1.427 19237 1235 1 7 . 1 1 42 42 ALA H H 42 8.286 8.286 7.351 0.935 19237 1236 1 7 . 1 1 43 43 HIS HA H 43 4.954 4.954 4.912 0.042 19237 1237 1 7 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.206 0.391 19237 1238 1 7 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.297 0.908 19237 1239 1 7 . 1 1 43 43 HIS H H 43 8.588 8.588 8.667 -0.079 19237 1240 1 7 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.731 -0.064 19237 1241 1 7 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.656 1.908 19237 1242 1 7 . 1 1 44 44 LYS CB C 44 37.018 37.018 35.115 1.903 19237 1243 1 7 . 1 1 44 44 LYS H H 44 8.825 8.825 8.972 -0.147 19237 1244 1 7 . 1 1 45 45 CYS N N 45 120.533 120.533 122.843 -2.310 19237 1245 1 7 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.189 0.525 19237 1246 1 7 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.656 10.764 19237 1247 1 7 . 1 1 45 45 CYS H H 45 9.154 9.154 8.565 0.589 19237 1248 1 7 . 1 1 46 46 ILE N N 46 133.530 133.530 130.351 3.179 19237 1249 1 7 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.689 -0.530 19237 1250 1 7 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.992 -0.042 19237 1251 1 7 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.325 -0.973 19237 1252 1 7 . 1 1 46 46 ILE H H 46 8.773 8.773 8.967 -0.194 19237 1253 1 7 . 1 1 47 47 CYS N N 47 120.445 120.445 127.243 -6.798 19237 1254 1 7 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.542 0.799 19237 1255 1 7 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.468 -6.380 19237 1256 1 7 . 1 1 47 47 CYS H H 47 8.520 8.520 9.047 -0.527 19237 1257 1 7 . 1 1 48 48 TYR N N 48 116.569 116.569 119.863 -3.294 19237 1258 1 7 . 1 1 48 48 TYR HA H 48 5.280 5.280 5.003 0.277 19237 1259 1 7 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.974 1.929 19237 1260 1 7 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.395 3.125 19237 1261 1 7 . 1 1 48 48 TYR H H 48 7.870 7.870 9.231 -1.361 19237 1262 1 7 . 1 1 49 49 PHE N N 49 122.029 122.029 122.369 -0.340 19237 1263 1 7 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.999 -0.038 19237 1264 1 7 . 1 1 49 49 PHE H H 49 9.162 9.162 9.225 -0.063 19237 1265 1 7 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.393 0.501 19237 1266 1 7 . 1 1 50 50 PRO CA C 50 64.668 64.668 62.990 1.678 19237 1267 1 7 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.317 1.601 19237 1268 1 8 . 1 1 3 3 LEU HA H 3 5.129 5.129 5.157 -0.028 19237 1269 1 8 . 1 1 3 3 LEU CA C 3 54.667 54.667 53.895 0.772 19237 1270 1 8 . 1 1 3 3 LEU CB C 3 46.077 46.077 44.911 1.166 19237 1271 1 8 . 1 1 3 3 LEU H H 3 8.460 8.460 7.984 0.476 19237 1272 1 8 . 1 1 4 4 CYS N N 4 122.129 122.129 123.906 -1.777 19237 1273 1 8 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.691 0.443 19237 1274 1 8 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.545 1.883 19237 1275 1 8 . 1 1 4 4 CYS H H 4 9.717 9.717 9.223 0.494 19237 1276 1 8 . 1 1 5 5 GLU N N 5 122.663 122.663 125.388 -2.725 19237 1277 1 8 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.517 -0.038 19237 1278 1 8 . 1 1 5 5 GLU H H 5 8.801 8.801 8.616 0.185 19237 1279 1 8 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.858 -0.096 19237 1280 1 8 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.642 1.313 19237 1281 1 8 . 1 1 6 6 LYS H H 6 9.057 9.057 8.992 0.065 19237 1282 1 8 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.442 0.026 19237 1283 1 8 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.873 1.516 19237 1284 1 8 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.768 1.228 19237 1285 1 8 . 1 1 8 8 SER HA H 8 4.751 4.751 4.438 0.313 19237 1286 1 8 . 1 1 8 8 SER CA C 8 59.388 59.388 59.383 0.005 19237 1287 1 8 . 1 1 8 8 SER CB C 8 65.016 65.016 63.691 1.325 19237 1288 1 8 . 1 1 8 8 SER H H 8 8.628 8.628 8.227 0.401 19237 1289 1 8 . 1 1 9 9 GLY N N 9 119.742 119.742 109.679 10.063 19237 1290 1 8 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.473 0.803 19237 1291 1 8 . 1 1 9 9 GLY H H 9 10.642 10.642 9.390 1.252 19237 1292 1 8 . 1 1 10 10 THR N N 10 109.252 109.252 111.666 -2.414 19237 1293 1 8 . 1 1 10 10 THR HA H 10 4.506 4.506 4.462 0.044 19237 1294 1 8 . 1 1 10 10 THR CA C 10 63.146 63.146 61.432 1.714 19237 1295 1 8 . 1 1 10 10 THR CB C 10 71.462 71.462 70.173 1.289 19237 1296 1 8 . 1 1 10 10 THR H H 10 8.204 8.204 7.967 0.237 19237 1297 1 8 . 1 1 11 11 TRP N N 11 125.850 125.850 122.884 2.966 19237 1298 1 8 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.802 -0.676 19237 1299 1 8 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.640 0.692 19237 1300 1 8 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.214 -1.186 19237 1301 1 8 . 1 1 11 11 TRP H H 11 8.151 8.151 8.130 0.021 19237 1302 1 8 . 1 1 12 12 SER N N 12 123.082 123.082 115.811 7.271 19237 1303 1 8 . 1 1 12 12 SER HA H 12 4.642 4.642 4.707 -0.065 19237 1304 1 8 . 1 1 12 12 SER CA C 12 57.769 57.769 57.701 0.068 19237 1305 1 8 . 1 1 12 12 SER CB C 12 65.589 65.589 66.193 -0.604 19237 1306 1 8 . 1 1 12 12 SER H H 12 7.364 7.364 7.796 -0.432 19237 1307 1 8 . 1 1 13 13 GLY N N 13 111.342 111.342 110.227 1.115 19237 1308 1 8 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.856 0.128 19237 1309 1 8 . 1 1 13 13 GLY H H 13 8.403 8.403 8.137 0.266 19237 1310 1 8 . 1 1 14 14 VAL N N 14 119.976 119.976 120.839 -0.863 19237 1311 1 8 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.291 -0.226 19237 1312 1 8 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.795 1.628 19237 1313 1 8 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.271 1.266 19237 1314 1 8 . 1 1 14 14 VAL H H 14 8.540 8.540 8.146 0.394 19237 1315 1 8 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.069 -0.123 19237 1316 1 8 . 1 1 15 15 CYS CA C 15 57.919 57.919 58.448 -0.529 19237 1317 1 8 . 1 1 15 15 CYS CB C 15 39.661 39.661 29.368 10.293 19237 1318 1 8 . 1 1 15 15 CYS H H 15 8.289 8.289 8.810 -0.521 19237 1319 1 8 . 1 1 16 16 GLY N N 16 114.030 114.030 112.408 1.622 19237 1320 1 8 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.139 0.669 19237 1321 1 8 . 1 1 16 16 GLY H H 16 8.610 8.610 8.687 -0.077 19237 1322 1 8 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.740 0.136 19237 1323 1 8 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.728 0.626 19237 1324 1 8 . 1 1 17 17 ASN H H 17 7.335 7.335 7.661 -0.326 19237 1325 1 8 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.578 -0.326 19237 1326 1 8 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.934 0.547 19237 1327 1 8 . 1 1 18 18 ASN H H 18 9.056 9.056 8.722 0.334 19237 1328 1 8 . 1 1 19 19 GLY N N 19 107.723 107.723 109.441 -1.718 19237 1329 1 8 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.321 1.649 19237 1330 1 8 . 1 1 19 19 GLY H H 19 8.565 8.565 8.353 0.212 19237 1331 1 8 . 1 1 20 20 ALA N N 20 124.931 124.931 124.738 0.193 19237 1332 1 8 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.263 0.095 19237 1333 1 8 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.748 1.010 19237 1334 1 8 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.147 1.387 19237 1335 1 8 . 1 1 20 20 ALA H H 20 7.949 7.949 8.415 -0.466 19237 1336 1 8 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.666 0.508 19237 1337 1 8 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.148 -1.865 19237 1338 1 8 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.736 13.066 19237 1339 1 8 . 1 1 21 21 CYS H H 21 7.335 7.335 7.928 -0.593 19237 1340 1 8 . 1 1 22 22 ARG N N 22 122.243 122.243 121.120 1.123 19237 1341 1 8 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.697 -0.448 19237 1342 1 8 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.760 -5.711 19237 1343 1 8 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.771 -0.023 19237 1344 1 8 . 1 1 22 22 ARG H H 22 8.494 8.494 7.810 0.684 19237 1345 1 8 . 1 1 23 23 ASN N N 23 114.938 114.938 117.781 -2.843 19237 1346 1 8 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.361 0.038 19237 1347 1 8 . 1 1 23 23 ASN H H 23 8.271 8.271 8.554 -0.283 19237 1348 1 8 . 1 1 24 24 GLN N N 24 120.890 120.890 119.849 1.041 19237 1349 1 8 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.087 0.020 19237 1350 1 8 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.048 -0.084 19237 1351 1 8 . 1 1 24 24 GLN H H 24 8.221 8.221 7.976 0.245 19237 1352 1 8 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.232 0.009 19237 1353 1 8 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.966 -2.601 19237 1354 1 8 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.626 12.406 19237 1355 1 8 . 1 1 25 25 CYS H H 25 8.747 8.747 7.951 0.796 19237 1356 1 8 . 1 1 26 26 ILE N N 26 119.696 119.696 121.409 -1.713 19237 1357 1 8 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.222 -0.370 19237 1358 1 8 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.571 2.460 19237 1359 1 8 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.336 4.016 19237 1360 1 8 . 1 1 26 26 ILE H H 26 8.198 8.198 8.129 0.069 19237 1361 1 8 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.245 -0.104 19237 1362 1 8 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.120 2.387 19237 1363 1 8 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.019 2.023 19237 1364 1 8 . 1 1 27 27 ARG H H 27 8.736 8.736 7.833 0.903 19237 1365 1 8 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.291 0.430 19237 1366 1 8 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.024 -0.403 19237 1367 1 8 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.205 1.517 19237 1368 1 8 . 1 1 28 28 LEU H H 28 8.572 8.572 8.081 0.491 19237 1369 1 8 . 1 1 29 29 GLU N N 29 115.746 115.746 116.176 -0.430 19237 1370 1 8 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.496 0.314 19237 1371 1 8 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.032 0.911 19237 1372 1 8 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.517 0.531 19237 1373 1 8 . 1 1 29 29 GLU H H 29 7.032 7.032 7.739 -0.707 19237 1374 1 8 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.168 0.078 19237 1375 1 8 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.059 1.144 19237 1376 1 8 . 1 1 30 30 LYS H H 30 7.475 7.475 7.620 -0.145 19237 1377 1 8 . 1 1 31 31 ALA N N 31 120.618 120.618 120.107 0.511 19237 1378 1 8 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.981 0.028 19237 1379 1 8 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.304 0.503 19237 1380 1 8 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.393 -6.371 19237 1381 1 8 . 1 1 31 31 ALA H H 31 7.974 7.974 8.219 -0.245 19237 1382 1 8 . 1 1 32 32 ARG N N 32 113.739 113.739 120.823 -7.084 19237 1383 1 8 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.453 0.029 19237 1384 1 8 . 1 1 32 32 ARG H H 32 8.230 8.230 8.361 -0.131 19237 1385 1 8 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.659 0.091 19237 1386 1 8 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.400 1.041 19237 1387 1 8 . 1 1 33 33 HIS H H 33 7.683 7.683 7.558 0.125 19237 1388 1 8 . 1 1 34 34 GLY N N 34 110.723 110.723 107.128 3.595 19237 1389 1 8 . 1 1 34 34 GLY CA C 34 47.457 47.457 44.892 2.565 19237 1390 1 8 . 1 1 34 34 GLY H H 34 6.313 6.313 7.044 -0.731 19237 1391 1 8 . 1 1 35 35 SER HA H 35 4.118 4.118 4.628 -0.510 19237 1392 1 8 . 1 1 35 35 SER CA C 35 61.816 61.816 57.061 4.755 19237 1393 1 8 . 1 1 35 35 SER CB C 35 73.315 73.315 67.136 6.178 19237 1394 1 8 . 1 1 35 35 SER H H 35 9.075 9.075 8.623 0.452 19237 1395 1 8 . 1 1 36 36 CYS HA H 36 5.455 5.455 5.255 0.200 19237 1396 1 8 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.097 -4.264 19237 1397 1 8 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.761 11.498 19237 1398 1 8 . 1 1 36 36 CYS H H 36 8.552 8.552 9.276 -0.724 19237 1399 1 8 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.657 0.342 19237 1400 1 8 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.169 -0.081 19237 1401 1 8 . 1 1 37 37 ASN CB C 37 42.750 42.750 39.488 3.262 19237 1402 1 8 . 1 1 37 37 ASN H H 37 9.079 9.079 8.204 0.875 19237 1403 1 8 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.270 -0.062 19237 1404 1 8 . 1 1 38 38 TYR H H 38 8.829 8.829 8.488 0.341 19237 1405 1 8 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.961 -0.074 19237 1406 1 8 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.200 3.662 19237 1407 1 8 . 1 1 39 39 VAL H H 39 7.680 7.680 7.941 -0.261 19237 1408 1 8 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.724 0.232 19237 1409 1 8 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.574 -0.009 19237 1410 1 8 . 1 1 40 40 PHE H H 40 8.441 8.441 7.934 0.507 19237 1411 1 8 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.371 0.497 19237 1412 1 8 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.828 0.789 19237 1413 1 8 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.720 0.057 19237 1414 1 8 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.861 1.737 19237 1415 1 8 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.541 1.727 19237 1416 1 8 . 1 1 42 42 ALA H H 42 8.286 8.286 7.223 1.063 19237 1417 1 8 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.227 -0.273 19237 1418 1 8 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.550 0.047 19237 1419 1 8 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.849 0.356 19237 1420 1 8 . 1 1 43 43 HIS H H 43 8.588 8.588 8.728 -0.140 19237 1421 1 8 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.895 -0.228 19237 1422 1 8 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.386 2.178 19237 1423 1 8 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.416 0.602 19237 1424 1 8 . 1 1 44 44 LYS H H 44 8.825 8.825 8.631 0.194 19237 1425 1 8 . 1 1 45 45 CYS N N 45 120.533 120.533 120.595 -0.062 19237 1426 1 8 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.473 0.241 19237 1427 1 8 . 1 1 45 45 CYS CB C 45 36.420 36.420 26.257 10.163 19237 1428 1 8 . 1 1 45 45 CYS H H 45 9.154 9.154 8.785 0.369 19237 1429 1 8 . 1 1 46 46 ILE N N 46 133.530 133.530 130.247 3.283 19237 1430 1 8 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.717 -0.558 19237 1431 1 8 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.870 0.080 19237 1432 1 8 . 1 1 46 46 ILE CB C 46 38.351 38.351 38.844 -0.493 19237 1433 1 8 . 1 1 46 46 ILE H H 46 8.773 8.773 9.136 -0.363 19237 1434 1 8 . 1 1 47 47 CYS N N 47 120.445 120.445 127.239 -6.794 19237 1435 1 8 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.587 0.754 19237 1436 1 8 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.408 -6.320 19237 1437 1 8 . 1 1 47 47 CYS H H 47 8.520 8.520 9.109 -0.589 19237 1438 1 8 . 1 1 48 48 TYR N N 48 116.569 116.569 120.547 -3.978 19237 1439 1 8 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.674 0.606 19237 1440 1 8 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.128 1.775 19237 1441 1 8 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.267 3.253 19237 1442 1 8 . 1 1 48 48 TYR H H 48 7.870 7.870 9.268 -1.398 19237 1443 1 8 . 1 1 49 49 PHE N N 49 122.029 122.029 121.767 0.262 19237 1444 1 8 . 1 1 49 49 PHE HA H 49 4.961 4.961 4.995 -0.034 19237 1445 1 8 . 1 1 49 49 PHE H H 49 9.162 9.162 8.573 0.589 19237 1446 1 8 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.606 0.288 19237 1447 1 8 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.315 1.353 19237 1448 1 8 . 1 1 50 50 PRO CB C 50 32.918 32.918 30.980 1.938 19237 1449 1 9 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.748 0.381 19237 1450 1 9 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.162 0.505 19237 1451 1 9 . 1 1 3 3 LEU CB C 3 46.077 46.077 43.938 2.139 19237 1452 1 9 . 1 1 3 3 LEU H H 3 8.460 8.460 8.462 -0.002 19237 1453 1 9 . 1 1 4 4 CYS N N 4 122.129 122.129 123.164 -1.035 19237 1454 1 9 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.826 0.308 19237 1455 1 9 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.586 1.842 19237 1456 1 9 . 1 1 4 4 CYS H H 4 9.717 9.717 9.254 0.463 19237 1457 1 9 . 1 1 5 5 GLU N N 5 122.663 122.663 124.748 -2.085 19237 1458 1 9 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.796 -0.317 19237 1459 1 9 . 1 1 5 5 GLU H H 5 8.801 8.801 8.748 0.053 19237 1460 1 9 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.842 -0.080 19237 1461 1 9 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.345 1.610 19237 1462 1 9 . 1 1 6 6 LYS H H 6 9.057 9.057 8.892 0.165 19237 1463 1 9 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.407 0.061 19237 1464 1 9 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.842 1.548 19237 1465 1 9 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.977 1.018 19237 1466 1 9 . 1 1 8 8 SER HA H 8 4.751 4.751 4.315 0.436 19237 1467 1 9 . 1 1 8 8 SER CA C 8 59.388 59.388 58.952 0.436 19237 1468 1 9 . 1 1 8 8 SER CB C 8 65.016 65.016 63.479 1.537 19237 1469 1 9 . 1 1 8 8 SER H H 8 8.628 8.628 8.286 0.342 19237 1470 1 9 . 1 1 9 9 GLY N N 9 119.742 119.742 108.948 10.794 19237 1471 1 9 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.468 0.808 19237 1472 1 9 . 1 1 9 9 GLY H H 9 10.642 10.642 9.212 1.430 19237 1473 1 9 . 1 1 10 10 THR N N 10 109.252 109.252 109.954 -0.702 19237 1474 1 9 . 1 1 10 10 THR HA H 10 4.506 4.506 4.527 -0.021 19237 1475 1 9 . 1 1 10 10 THR CA C 10 63.146 63.146 61.336 1.810 19237 1476 1 9 . 1 1 10 10 THR CB C 10 71.462 71.462 70.042 1.420 19237 1477 1 9 . 1 1 10 10 THR H H 10 8.204 8.204 7.754 0.450 19237 1478 1 9 . 1 1 11 11 TRP N N 11 125.850 125.850 122.894 2.956 19237 1479 1 9 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.827 -0.701 19237 1480 1 9 . 1 1 11 11 TRP CA C 11 59.332 59.332 56.970 2.362 19237 1481 1 9 . 1 1 11 11 TRP CB C 11 30.028 30.028 32.719 -2.691 19237 1482 1 9 . 1 1 11 11 TRP H H 11 8.151 8.151 7.774 0.377 19237 1483 1 9 . 1 1 12 12 SER N N 12 123.082 123.082 116.795 6.287 19237 1484 1 9 . 1 1 12 12 SER HA H 12 4.642 4.642 4.747 -0.105 19237 1485 1 9 . 1 1 12 12 SER CA C 12 57.769 57.769 58.076 -0.307 19237 1486 1 9 . 1 1 12 12 SER CB C 12 65.589 65.589 63.821 1.768 19237 1487 1 9 . 1 1 12 12 SER H H 12 7.364 7.364 8.313 -0.949 19237 1488 1 9 . 1 1 13 13 GLY N N 13 111.342 111.342 113.739 -2.397 19237 1489 1 9 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.573 0.411 19237 1490 1 9 . 1 1 13 13 GLY H H 13 8.403 8.403 8.536 -0.133 19237 1491 1 9 . 1 1 14 14 VAL N N 14 119.976 119.976 121.585 -1.609 19237 1492 1 9 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.776 -0.711 19237 1493 1 9 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.060 2.363 19237 1494 1 9 . 1 1 14 14 VAL CB C 14 33.537 33.537 31.597 1.940 19237 1495 1 9 . 1 1 14 14 VAL H H 14 8.540 8.540 8.301 0.239 19237 1496 1 9 . 1 1 15 15 CYS HA H 15 4.946 4.946 4.998 -0.052 19237 1497 1 9 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.640 0.279 19237 1498 1 9 . 1 1 15 15 CYS CB C 15 39.661 39.661 27.373 12.288 19237 1499 1 9 . 1 1 15 15 CYS H H 15 8.289 8.289 8.492 -0.203 19237 1500 1 9 . 1 1 16 16 GLY N N 16 114.030 114.030 109.414 4.616 19237 1501 1 9 . 1 1 16 16 GLY CA C 16 45.808 45.808 46.026 -0.218 19237 1502 1 9 . 1 1 16 16 GLY H H 16 8.610 8.610 9.037 -0.427 19237 1503 1 9 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.884 -0.008 19237 1504 1 9 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.277 1.078 19237 1505 1 9 . 1 1 17 17 ASN H H 17 7.335 7.335 7.935 -0.600 19237 1506 1 9 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.410 -0.158 19237 1507 1 9 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.036 1.445 19237 1508 1 9 . 1 1 18 18 ASN H H 18 9.056 9.056 8.937 0.119 19237 1509 1 9 . 1 1 19 19 GLY N N 19 107.723 107.723 107.411 0.312 19237 1510 1 9 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.312 1.658 19237 1511 1 9 . 1 1 19 19 GLY H H 19 8.565 8.565 8.431 0.134 19237 1512 1 9 . 1 1 20 20 ALA N N 20 124.931 124.931 123.503 1.428 19237 1513 1 9 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.167 0.191 19237 1514 1 9 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.877 0.881 19237 1515 1 9 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.336 1.198 19237 1516 1 9 . 1 1 20 20 ALA H H 20 7.949 7.949 7.817 0.132 19237 1517 1 9 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.728 0.446 19237 1518 1 9 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.369 -2.086 19237 1519 1 9 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.725 13.077 19237 1520 1 9 . 1 1 21 21 CYS H H 21 7.335 7.335 8.119 -0.784 19237 1521 1 9 . 1 1 22 22 ARG N N 22 122.243 122.243 120.851 1.392 19237 1522 1 9 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.737 -0.488 19237 1523 1 9 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.827 -5.777 19237 1524 1 9 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.852 -0.104 19237 1525 1 9 . 1 1 22 22 ARG H H 22 8.494 8.494 8.023 0.471 19237 1526 1 9 . 1 1 23 23 ASN N N 23 114.938 114.938 117.337 -2.399 19237 1527 1 9 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.438 -0.039 19237 1528 1 9 . 1 1 23 23 ASN H H 23 8.271 8.271 8.601 -0.330 19237 1529 1 9 . 1 1 24 24 GLN N N 24 120.890 120.890 120.707 0.183 19237 1530 1 9 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.196 -0.089 19237 1531 1 9 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.171 -0.207 19237 1532 1 9 . 1 1 24 24 GLN H H 24 8.221 8.221 7.900 0.321 19237 1533 1 9 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.257 -0.016 19237 1534 1 9 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.897 -2.532 19237 1535 1 9 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.622 12.410 19237 1536 1 9 . 1 1 25 25 CYS H H 25 8.747 8.747 8.111 0.636 19237 1537 1 9 . 1 1 26 26 ILE N N 26 119.696 119.696 121.896 -2.200 19237 1538 1 9 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.114 -0.262 19237 1539 1 9 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.482 2.549 19237 1540 1 9 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.447 3.905 19237 1541 1 9 . 1 1 26 26 ILE H H 26 8.198 8.198 8.404 -0.206 19237 1542 1 9 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.140 0.001 19237 1543 1 9 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.026 1.481 19237 1544 1 9 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.378 1.665 19237 1545 1 9 . 1 1 27 27 ARG H H 27 8.736 8.736 7.733 1.003 19237 1546 1 9 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.307 0.414 19237 1547 1 9 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.088 -0.467 19237 1548 1 9 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.403 1.319 19237 1549 1 9 . 1 1 28 28 LEU H H 28 8.572 8.572 8.232 0.340 19237 1550 1 9 . 1 1 29 29 GLU N N 29 115.746 115.746 116.141 -0.395 19237 1551 1 9 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.481 0.329 19237 1552 1 9 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.150 0.793 19237 1553 1 9 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.421 0.627 19237 1554 1 9 . 1 1 29 29 GLU H H 29 7.032 7.032 7.800 -0.768 19237 1555 1 9 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.124 0.122 19237 1556 1 9 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.031 1.172 19237 1557 1 9 . 1 1 30 30 LYS H H 30 7.475 7.475 7.732 -0.257 19237 1558 1 9 . 1 1 31 31 ALA N N 31 120.618 120.618 120.311 0.307 19237 1559 1 9 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.917 0.092 19237 1560 1 9 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.120 0.687 19237 1561 1 9 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.205 -6.183 19237 1562 1 9 . 1 1 31 31 ALA H H 31 7.974 7.974 8.142 -0.168 19237 1563 1 9 . 1 1 32 32 ARG N N 32 113.739 113.739 120.401 -6.662 19237 1564 1 9 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.360 0.122 19237 1565 1 9 . 1 1 32 32 ARG H H 32 8.230 8.230 8.181 0.049 19237 1566 1 9 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.730 0.020 19237 1567 1 9 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.925 0.516 19237 1568 1 9 . 1 1 33 33 HIS H H 33 7.683 7.683 7.663 0.020 19237 1569 1 9 . 1 1 34 34 GLY N N 34 110.723 110.723 107.574 3.149 19237 1570 1 9 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.030 2.427 19237 1571 1 9 . 1 1 34 34 GLY H H 34 6.313 6.313 7.207 -0.894 19237 1572 1 9 . 1 1 35 35 SER HA H 35 4.118 4.118 4.782 -0.664 19237 1573 1 9 . 1 1 35 35 SER CA C 35 61.816 61.816 57.585 4.231 19237 1574 1 9 . 1 1 35 35 SER CB C 35 73.315 73.315 65.449 7.866 19237 1575 1 9 . 1 1 35 35 SER H H 35 9.075 9.075 8.842 0.233 19237 1576 1 9 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.960 0.495 19237 1577 1 9 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.282 -4.449 19237 1578 1 9 . 1 1 36 36 CYS CB C 36 37.259 37.259 24.787 12.472 19237 1579 1 9 . 1 1 36 36 CYS H H 36 8.552 8.552 8.608 -0.056 19237 1580 1 9 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.686 0.313 19237 1581 1 9 . 1 1 37 37 ASN CA C 37 52.088 52.088 53.248 -1.160 19237 1582 1 9 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.033 2.717 19237 1583 1 9 . 1 1 37 37 ASN H H 37 9.079 9.079 7.827 1.252 19237 1584 1 9 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.352 -0.144 19237 1585 1 9 . 1 1 38 38 TYR H H 38 8.829 8.829 8.601 0.228 19237 1586 1 9 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.929 -0.042 19237 1587 1 9 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.307 3.555 19237 1588 1 9 . 1 1 39 39 VAL H H 39 7.680 7.680 7.718 -0.038 19237 1589 1 9 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.751 0.205 19237 1590 1 9 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.654 -0.089 19237 1591 1 9 . 1 1 40 40 PHE H H 40 8.441 8.441 8.241 0.200 19237 1592 1 9 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.721 0.147 19237 1593 1 9 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.997 0.620 19237 1594 1 9 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.632 0.145 19237 1595 1 9 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.765 1.833 19237 1596 1 9 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.544 1.724 19237 1597 1 9 . 1 1 42 42 ALA H H 42 8.286 8.286 7.627 0.659 19237 1598 1 9 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.598 -0.644 19237 1599 1 9 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.136 1.461 19237 1600 1 9 . 1 1 43 43 HIS CB C 43 31.205 31.205 32.377 -1.172 19237 1601 1 9 . 1 1 43 43 HIS H H 43 8.588 8.588 8.547 0.041 19237 1602 1 9 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.890 -0.223 19237 1603 1 9 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.221 2.342 19237 1604 1 9 . 1 1 44 44 LYS CB C 44 37.018 37.018 36.124 0.894 19237 1605 1 9 . 1 1 44 44 LYS H H 44 8.825 8.825 8.671 0.154 19237 1606 1 9 . 1 1 45 45 CYS N N 45 120.533 120.533 123.317 -2.784 19237 1607 1 9 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.242 0.472 19237 1608 1 9 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.963 10.457 19237 1609 1 9 . 1 1 45 45 CYS H H 45 9.154 9.154 8.853 0.301 19237 1610 1 9 . 1 1 46 46 ILE N N 46 133.530 133.530 129.471 4.059 19237 1611 1 9 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.579 -0.420 19237 1612 1 9 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.681 0.269 19237 1613 1 9 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.616 -1.265 19237 1614 1 9 . 1 1 46 46 ILE H H 46 8.773 8.773 8.488 0.285 19237 1615 1 9 . 1 1 47 47 CYS N N 47 120.445 120.445 126.723 -6.278 19237 1616 1 9 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.617 0.724 19237 1617 1 9 . 1 1 47 47 CYS CA C 47 52.088 52.088 57.911 -5.823 19237 1618 1 9 . 1 1 47 47 CYS H H 47 8.520 8.520 9.037 -0.517 19237 1619 1 9 . 1 1 48 48 TYR N N 48 116.569 116.569 120.495 -3.926 19237 1620 1 9 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.915 0.365 19237 1621 1 9 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.680 1.223 19237 1622 1 9 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.867 2.653 19237 1623 1 9 . 1 1 48 48 TYR H H 48 7.870 7.870 9.206 -1.336 19237 1624 1 9 . 1 1 49 49 PHE N N 49 122.029 122.029 122.447 -0.418 19237 1625 1 9 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.020 -0.059 19237 1626 1 9 . 1 1 49 49 PHE H H 49 9.162 9.162 9.297 -0.135 19237 1627 1 9 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.427 0.467 19237 1628 1 9 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.232 1.436 19237 1629 1 9 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.444 1.474 19237 1630 1 10 . 1 1 3 3 LEU HA H 3 5.129 5.129 4.269 0.860 19237 1631 1 10 . 1 1 3 3 LEU CA C 3 54.667 54.667 55.218 -0.551 19237 1632 1 10 . 1 1 3 3 LEU CB C 3 46.077 46.077 42.521 3.556 19237 1633 1 10 . 1 1 3 3 LEU H H 3 8.460 8.460 8.253 0.207 19237 1634 1 10 . 1 1 4 4 CYS N N 4 122.129 122.129 122.464 -0.335 19237 1635 1 10 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.519 0.615 19237 1636 1 10 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.965 1.464 19237 1637 1 10 . 1 1 4 4 CYS H H 4 9.717 9.717 8.833 0.884 19237 1638 1 10 . 1 1 5 5 GLU N N 5 122.663 122.663 125.693 -3.030 19237 1639 1 10 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.673 -0.194 19237 1640 1 10 . 1 1 5 5 GLU H H 5 8.801 8.801 8.611 0.190 19237 1641 1 10 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.882 -0.120 19237 1642 1 10 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.170 1.785 19237 1643 1 10 . 1 1 6 6 LYS H H 6 9.057 9.057 9.164 -0.107 19237 1644 1 10 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.365 0.103 19237 1645 1 10 . 1 1 7 7 PRO CA C 7 64.390 64.390 63.245 1.145 19237 1646 1 10 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.690 1.306 19237 1647 1 10 . 1 1 8 8 SER HA H 8 4.751 4.751 4.341 0.410 19237 1648 1 10 . 1 1 8 8 SER CA C 8 59.388 59.388 59.590 -0.202 19237 1649 1 10 . 1 1 8 8 SER CB C 8 65.016 65.016 64.105 0.911 19237 1650 1 10 . 1 1 8 8 SER H H 8 8.628 8.628 8.193 0.435 19237 1651 1 10 . 1 1 9 9 GLY N N 9 119.742 119.742 112.574 7.168 19237 1652 1 10 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.449 0.827 19237 1653 1 10 . 1 1 9 9 GLY H H 9 10.642 10.642 9.294 1.348 19237 1654 1 10 . 1 1 10 10 THR N N 10 109.252 109.252 111.370 -2.118 19237 1655 1 10 . 1 1 10 10 THR HA H 10 4.506 4.506 4.544 -0.038 19237 1656 1 10 . 1 1 10 10 THR CA C 10 63.146 63.146 61.410 1.736 19237 1657 1 10 . 1 1 10 10 THR CB C 10 71.462 71.462 70.122 1.340 19237 1658 1 10 . 1 1 10 10 THR H H 10 8.204 8.204 7.891 0.313 19237 1659 1 10 . 1 1 11 11 TRP N N 11 125.850 125.850 124.582 1.268 19237 1660 1 10 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.907 -0.781 19237 1661 1 10 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.108 1.224 19237 1662 1 10 . 1 1 11 11 TRP CB C 11 30.028 30.028 32.079 -2.051 19237 1663 1 10 . 1 1 11 11 TRP H H 11 8.151 8.151 7.782 0.369 19237 1664 1 10 . 1 1 12 12 SER N N 12 123.082 123.082 116.199 6.883 19237 1665 1 10 . 1 1 12 12 SER HA H 12 4.642 4.642 4.705 -0.063 19237 1666 1 10 . 1 1 12 12 SER CA C 12 57.769 57.769 58.154 -0.385 19237 1667 1 10 . 1 1 12 12 SER CB C 12 65.589 65.589 65.935 -0.346 19237 1668 1 10 . 1 1 12 12 SER H H 12 7.364 7.364 8.213 -0.849 19237 1669 1 10 . 1 1 13 13 GLY N N 13 111.342 111.342 113.241 -1.899 19237 1670 1 10 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.999 -0.015 19237 1671 1 10 . 1 1 13 13 GLY H H 13 8.403 8.403 8.412 -0.009 19237 1672 1 10 . 1 1 14 14 VAL N N 14 119.976 119.976 121.834 -1.858 19237 1673 1 10 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.613 -0.548 19237 1674 1 10 . 1 1 14 14 VAL CA C 14 64.423 64.423 63.278 1.145 19237 1675 1 10 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.188 1.349 19237 1676 1 10 . 1 1 14 14 VAL H H 14 8.540 8.540 8.087 0.453 19237 1677 1 10 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.350 -0.404 19237 1678 1 10 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.238 0.681 19237 1679 1 10 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.875 10.786 19237 1680 1 10 . 1 1 15 15 CYS H H 15 8.289 8.289 8.426 -0.137 19237 1681 1 10 . 1 1 16 16 GLY N N 16 114.030 114.030 108.198 5.832 19237 1682 1 10 . 1 1 16 16 GLY CA C 16 45.808 45.808 46.917 -1.109 19237 1683 1 10 . 1 1 16 16 GLY H H 16 8.610 8.610 9.115 -0.505 19237 1684 1 10 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.781 0.095 19237 1685 1 10 . 1 1 17 17 ASN CA C 17 53.355 53.355 51.743 1.612 19237 1686 1 10 . 1 1 17 17 ASN H H 17 7.335 7.335 7.643 -0.308 19237 1687 1 10 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.394 -0.142 19237 1688 1 10 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.090 1.391 19237 1689 1 10 . 1 1 18 18 ASN H H 18 9.056 9.056 8.719 0.337 19237 1690 1 10 . 1 1 19 19 GLY N N 19 107.723 107.723 107.662 0.061 19237 1691 1 10 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.398 1.572 19237 1692 1 10 . 1 1 19 19 GLY H H 19 8.565 8.565 8.120 0.445 19237 1693 1 10 . 1 1 20 20 ALA N N 20 124.931 124.931 124.176 0.755 19237 1694 1 10 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.149 0.209 19237 1695 1 10 . 1 1 20 20 ALA CA C 20 55.758 55.758 55.115 0.643 19237 1696 1 10 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.352 1.182 19237 1697 1 10 . 1 1 20 20 ALA H H 20 7.949 7.949 8.472 -0.523 19237 1698 1 10 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.858 0.316 19237 1699 1 10 . 1 1 21 21 CYS CA C 21 59.283 59.283 60.881 -1.598 19237 1700 1 10 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.845 12.957 19237 1701 1 10 . 1 1 21 21 CYS H H 21 7.335 7.335 8.003 -0.668 19237 1702 1 10 . 1 1 22 22 ARG N N 22 122.243 122.243 121.442 0.801 19237 1703 1 10 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.661 -0.412 19237 1704 1 10 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.901 -5.852 19237 1705 1 10 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.768 -0.020 19237 1706 1 10 . 1 1 22 22 ARG H H 22 8.494 8.494 8.296 0.198 19237 1707 1 10 . 1 1 23 23 ASN N N 23 114.938 114.938 117.523 -2.585 19237 1708 1 10 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.346 0.053 19237 1709 1 10 . 1 1 23 23 ASN H H 23 8.271 8.271 8.556 -0.285 19237 1710 1 10 . 1 1 24 24 GLN N N 24 120.890 120.890 119.922 0.968 19237 1711 1 10 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.097 0.010 19237 1712 1 10 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.087 -0.123 19237 1713 1 10 . 1 1 24 24 GLN H H 24 8.221 8.221 7.708 0.513 19237 1714 1 10 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.251 -0.010 19237 1715 1 10 . 1 1 25 25 CYS CA C 25 60.365 60.365 62.969 -2.604 19237 1716 1 10 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.555 12.477 19237 1717 1 10 . 1 1 25 25 CYS H H 25 8.747 8.747 8.082 0.665 19237 1718 1 10 . 1 1 26 26 ILE N N 26 119.696 119.696 121.651 -1.955 19237 1719 1 10 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.042 -0.190 19237 1720 1 10 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.353 2.678 19237 1721 1 10 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.412 3.940 19237 1722 1 10 . 1 1 26 26 ILE H H 26 8.198 8.198 8.314 -0.116 19237 1723 1 10 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.159 -0.018 19237 1724 1 10 . 1 1 27 27 ARG CA C 27 60.507 60.507 59.378 1.129 19237 1725 1 10 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.477 1.565 19237 1726 1 10 . 1 1 27 27 ARG H H 27 8.736 8.736 7.759 0.977 19237 1727 1 10 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.297 0.424 19237 1728 1 10 . 1 1 28 28 LEU CA C 28 56.621 56.621 56.846 -0.225 19237 1729 1 10 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.425 1.297 19237 1730 1 10 . 1 1 28 28 LEU H H 28 8.572 8.572 8.306 0.266 19237 1731 1 10 . 1 1 29 29 GLU N N 29 115.746 115.746 115.556 0.190 19237 1732 1 10 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.517 0.293 19237 1733 1 10 . 1 1 29 29 GLU CA C 29 56.943 56.943 55.757 1.186 19237 1734 1 10 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.538 0.510 19237 1735 1 10 . 1 1 29 29 GLU H H 29 7.032 7.032 7.620 -0.588 19237 1736 1 10 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.135 0.111 19237 1737 1 10 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.042 1.161 19237 1738 1 10 . 1 1 30 30 LYS H H 30 7.475 7.475 7.630 -0.155 19237 1739 1 10 . 1 1 31 31 ALA N N 31 120.618 120.618 119.904 0.714 19237 1740 1 10 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.988 0.021 19237 1741 1 10 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.601 0.206 19237 1742 1 10 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.386 -6.364 19237 1743 1 10 . 1 1 31 31 ALA H H 31 7.974 7.974 8.179 -0.205 19237 1744 1 10 . 1 1 32 32 ARG N N 32 113.739 113.739 121.119 -7.380 19237 1745 1 10 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.451 0.031 19237 1746 1 10 . 1 1 32 32 ARG H H 32 8.230 8.230 8.509 -0.279 19237 1747 1 10 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.705 0.045 19237 1748 1 10 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.602 0.839 19237 1749 1 10 . 1 1 33 33 HIS H H 33 7.683 7.683 7.711 -0.028 19237 1750 1 10 . 1 1 34 34 GLY N N 34 110.723 110.723 106.399 4.324 19237 1751 1 10 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.301 2.156 19237 1752 1 10 . 1 1 34 34 GLY H H 34 6.313 6.313 6.969 -0.656 19237 1753 1 10 . 1 1 35 35 SER HA H 35 4.118 4.118 4.718 -0.600 19237 1754 1 10 . 1 1 35 35 SER CA C 35 61.816 61.816 57.234 4.582 19237 1755 1 10 . 1 1 35 35 SER CB C 35 73.315 73.315 66.250 7.065 19237 1756 1 10 . 1 1 35 35 SER H H 35 9.075 9.075 8.738 0.337 19237 1757 1 10 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.742 0.713 19237 1758 1 10 . 1 1 36 36 CYS CA C 36 52.833 52.833 59.188 -6.355 19237 1759 1 10 . 1 1 36 36 CYS CB C 36 37.259 37.259 26.849 10.410 19237 1760 1 10 . 1 1 36 36 CYS H H 36 8.552 8.552 8.540 0.012 19237 1761 1 10 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.863 0.136 19237 1762 1 10 . 1 1 37 37 ASN CA C 37 52.088 52.088 51.200 0.888 19237 1763 1 10 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.412 2.338 19237 1764 1 10 . 1 1 37 37 ASN H H 37 9.079 9.079 8.675 0.404 19237 1765 1 10 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.202 0.006 19237 1766 1 10 . 1 1 38 38 TYR H H 38 8.829 8.829 8.605 0.224 19237 1767 1 10 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.968 -0.081 19237 1768 1 10 . 1 1 39 39 VAL CA C 39 64.862 64.862 60.986 3.876 19237 1769 1 10 . 1 1 39 39 VAL H H 39 7.680 7.680 7.923 -0.243 19237 1770 1 10 . 1 1 40 40 PHE HA H 40 3.956 3.956 4.348 -0.392 19237 1771 1 10 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.256 0.309 19237 1772 1 10 . 1 1 40 40 PHE H H 40 8.441 8.441 7.936 0.505 19237 1773 1 10 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.716 0.152 19237 1774 1 10 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.838 0.779 19237 1775 1 10 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.712 0.065 19237 1776 1 10 . 1 1 42 42 ALA CA C 42 52.598 52.598 51.284 1.314 19237 1777 1 10 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.856 1.412 19237 1778 1 10 . 1 1 42 42 ALA H H 42 8.286 8.286 7.533 0.753 19237 1779 1 10 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.252 -0.298 19237 1780 1 10 . 1 1 43 43 HIS CA C 43 56.597 56.597 55.581 1.016 19237 1781 1 10 . 1 1 43 43 HIS CB C 43 31.205 31.205 29.396 1.809 19237 1782 1 10 . 1 1 43 43 HIS H H 43 8.588 8.588 8.681 -0.093 19237 1783 1 10 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.866 -0.199 19237 1784 1 10 . 1 1 44 44 LYS CA C 44 55.564 55.564 54.414 1.150 19237 1785 1 10 . 1 1 44 44 LYS CB C 44 37.018 37.018 33.997 3.021 19237 1786 1 10 . 1 1 44 44 LYS H H 44 8.825 8.825 7.914 0.911 19237 1787 1 10 . 1 1 45 45 CYS N N 45 120.533 120.533 119.913 0.620 19237 1788 1 10 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.443 0.271 19237 1789 1 10 . 1 1 45 45 CYS CB C 45 36.420 36.420 26.356 10.064 19237 1790 1 10 . 1 1 45 45 CYS H H 45 9.154 9.154 8.702 0.452 19237 1791 1 10 . 1 1 46 46 ILE N N 46 133.530 133.530 129.838 3.692 19237 1792 1 10 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.519 -0.360 19237 1793 1 10 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.970 -0.020 19237 1794 1 10 . 1 1 46 46 ILE CB C 46 38.351 38.351 38.886 -0.534 19237 1795 1 10 . 1 1 46 46 ILE H H 46 8.773 8.773 7.906 0.867 19237 1796 1 10 . 1 1 47 47 CYS N N 47 120.445 120.445 127.414 -6.969 19237 1797 1 10 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.541 0.800 19237 1798 1 10 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.725 -6.637 19237 1799 1 10 . 1 1 47 47 CYS H H 47 8.520 8.520 8.906 -0.386 19237 1800 1 10 . 1 1 48 48 TYR N N 48 116.569 116.569 119.655 -3.086 19237 1801 1 10 . 1 1 48 48 TYR HA H 48 5.280 5.280 5.096 0.184 19237 1802 1 10 . 1 1 48 48 TYR CA C 48 57.903 57.903 55.771 2.132 19237 1803 1 10 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.746 2.774 19237 1804 1 10 . 1 1 48 48 TYR H H 48 7.870 7.870 9.126 -1.256 19237 1805 1 10 . 1 1 49 49 PHE N N 49 122.029 122.029 122.117 -0.088 19237 1806 1 10 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.010 -0.049 19237 1807 1 10 . 1 1 49 49 PHE H H 49 9.162 9.162 9.294 -0.132 19237 1808 1 10 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.407 0.487 19237 1809 1 10 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.681 0.987 19237 1810 1 10 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.685 1.233 19237 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 24 3.502 0.348 3.560 19237 2 1 1 "Average Difference" HA 53 0.345 -0.055 0.344 19237 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19237 4 1 1 "Average Difference" CA 38 2.250 -0.250 2.266 19237 5 1 1 "Average Difference" CB 31 5.152 -2.699 4.461 19237 6 1 1 "Average Difference" HN 45 0.568 -0.056 0.571 19237 7 1 2 "Average Difference" N 24 3.320 0.353 3.372 19237 8 1 2 "Average Difference" HA 53 0.340 -0.066 0.336 19237 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19237 10 1 2 "Average Difference" CA 38 2.208 -0.399 2.201 19237 11 1 2 "Average Difference" CB 31 5.281 -2.982 4.431 19237 12 1 2 "Average Difference" HN 45 0.548 -0.063 0.551 19237 13 1 3 "Average Difference" N 24 3.928 0.193 4.008 19237 14 1 3 "Average Difference" HA 53 0.355 -0.078 0.350 19237 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19237 16 1 3 "Average Difference" CA 38 2.180 -0.384 2.175 19237 17 1 3 "Average Difference" CB 31 5.255 -2.787 4.529 19237 18 1 3 "Average Difference" HN 45 0.540 -0.087 0.539 19237 19 1 4 "Average Difference" N 24 3.409 0.110 3.480 19237 20 1 4 "Average Difference" HA 53 0.334 -0.037 0.335 19237 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19237 22 1 4 "Average Difference" CA 38 2.295 -0.388 2.292 19237 23 1 4 "Average Difference" CB 31 5.287 -2.816 4.549 19237 24 1 4 "Average Difference" HN 45 0.549 -0.077 0.550 19237 25 1 5 "Average Difference" N 24 3.582 0.288 3.647 19237 26 1 5 "Average Difference" HA 53 0.380 -0.073 0.376 19237 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19237 28 1 5 "Average Difference" CA 38 2.297 -0.356 2.300 19237 29 1 5 "Average Difference" CB 31 5.271 -2.986 4.416 19237 30 1 5 "Average Difference" HN 45 0.504 -0.048 0.507 19237 31 1 6 "Average Difference" N 24 3.449 -0.021 3.523 19237 32 1 6 "Average Difference" HA 53 0.364 -0.081 0.358 19237 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19237 34 1 6 "Average Difference" CA 38 2.256 -0.437 2.243 19237 35 1 6 "Average Difference" CB 31 5.307 -2.888 4.527 19237 36 1 6 "Average Difference" HN 45 0.544 -0.084 0.544 19237 37 1 7 "Average Difference" N 24 3.745 -0.299 3.813 19237 38 1 7 "Average Difference" HA 53 0.372 -0.080 0.367 19237 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19237 40 1 7 "Average Difference" CA 38 2.301 -0.396 2.297 19237 41 1 7 "Average Difference" CB 31 5.251 -2.908 4.445 19237 42 1 7 "Average Difference" HN 45 0.544 -0.082 0.543 19237 43 1 8 "Average Difference" N 24 3.746 -0.027 3.826 19237 44 1 8 "Average Difference" HA 53 0.334 -0.047 0.334 19237 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19237 46 1 8 "Average Difference" CA 38 2.232 -0.467 2.212 19237 47 1 8 "Average Difference" CB 31 5.115 -2.730 4.397 19237 48 1 8 "Average Difference" HN 45 0.544 -0.087 0.543 19237 49 1 9 "Average Difference" N 24 3.812 -0.108 3.893 19237 50 1 9 "Average Difference" HA 53 0.359 -0.042 0.360 19237 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19237 52 1 9 "Average Difference" CA 38 2.227 -0.504 2.198 19237 53 1 9 "Average Difference" CB 31 5.433 -2.855 4.699 19237 54 1 9 "Average Difference" HN 45 0.535 -0.051 0.539 19237 55 1 10 "Average Difference" N 24 3.615 -0.082 3.692 19237 56 1 10 "Average Difference" HA 53 0.375 -0.055 0.374 19237 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19237 58 1 10 "Average Difference" CA 38 2.343 -0.317 2.353 19237 59 1 10 "Average Difference" CB 31 5.142 -2.835 4.361 19237 60 1 10 "Average Difference" HN 45 0.537 -0.101 0.533 19237 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 19237 _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 3 3 LEU HA H 3 5.129 5.129 4.597 0.532 19237 2 1 . 1 1 3 3 LEU CA C 3 54.667 54.667 54.805 -0.138 19237 3 1 . 1 1 3 3 LEU CB C 3 46.077 46.077 43.545 2.532 19237 4 1 . 1 1 3 3 LEU H H 3 8.460 8.460 8.228 0.232 19237 5 1 . 1 1 4 4 CYS N N 4 122.129 122.129 123.113 -0.984 19237 6 1 . 1 1 4 4 CYS HA H 4 5.134 5.134 4.664 0.470 19237 7 1 . 1 1 4 4 CYS CA C 4 60.428 60.428 58.621 1.807 19237 8 1 . 1 1 4 4 CYS H H 4 9.717 9.717 9.021 0.697 19237 9 1 . 1 1 5 5 GLU N N 5 122.663 122.663 125.408 -2.745 19237 10 1 . 1 1 5 5 GLU HA H 5 4.479 4.479 4.583 -0.104 19237 11 1 . 1 1 5 5 GLU H H 5 8.801 8.801 8.663 0.138 19237 12 1 . 1 1 6 6 LYS HA H 6 4.762 4.762 4.854 -0.092 19237 13 1 . 1 1 6 6 LYS CB C 6 36.955 36.955 35.417 1.538 19237 14 1 . 1 1 6 6 LYS H H 6 9.057 9.057 9.000 0.057 19237 15 1 . 1 1 7 7 PRO HA H 7 4.468 4.468 4.413 0.055 19237 16 1 . 1 1 7 7 PRO CA C 7 64.390 64.390 62.960 1.429 19237 17 1 . 1 1 7 7 PRO CB C 7 32.996 32.996 31.873 1.123 19237 18 1 . 1 1 8 8 SER HA H 8 4.751 4.751 4.365 0.386 19237 19 1 . 1 1 8 8 SER CA C 8 59.388 59.388 59.472 -0.084 19237 20 1 . 1 1 8 8 SER CB C 8 65.016 65.016 63.761 1.255 19237 21 1 . 1 1 8 8 SER H H 8 8.628 8.628 8.252 0.376 19237 22 1 . 1 1 9 9 GLY N N 9 119.742 119.742 111.899 7.843 19237 23 1 . 1 1 9 9 GLY CA C 9 46.276 46.276 45.472 0.805 19237 24 1 . 1 1 9 9 GLY H H 9 10.642 10.642 9.114 1.528 19237 25 1 . 1 1 10 10 THR N N 10 109.252 109.252 111.337 -2.085 19237 26 1 . 1 1 10 10 THR HA H 10 4.506 4.506 4.502 0.004 19237 27 1 . 1 1 10 10 THR CA C 10 63.146 63.146 61.481 1.665 19237 28 1 . 1 1 10 10 THR CB C 10 71.462 71.462 70.052 1.410 19237 29 1 . 1 1 10 10 THR H H 10 8.204 8.204 7.824 0.380 19237 30 1 . 1 1 11 11 TRP N N 11 125.850 125.850 123.482 2.368 19237 31 1 . 1 1 11 11 TRP HA H 11 4.126 4.126 4.794 -0.668 19237 32 1 . 1 1 11 11 TRP CA C 11 59.332 59.332 58.041 1.291 19237 33 1 . 1 1 11 11 TRP CB C 11 30.028 30.028 31.393 -1.365 19237 34 1 . 1 1 11 11 TRP H H 11 8.151 8.151 7.920 0.231 19237 35 1 . 1 1 12 12 SER N N 12 123.082 123.082 116.574 6.508 19237 36 1 . 1 1 12 12 SER HA H 12 4.642 4.642 4.712 -0.070 19237 37 1 . 1 1 12 12 SER CA C 12 57.769 57.769 57.958 -0.189 19237 38 1 . 1 1 12 12 SER CB C 12 65.589 65.589 65.021 0.568 19237 39 1 . 1 1 12 12 SER H H 12 7.364 7.364 8.026 -0.662 19237 40 1 . 1 1 13 13 GLY N N 13 111.342 111.342 111.980 -0.638 19237 41 1 . 1 1 13 13 GLY CA C 13 44.984 44.984 44.799 0.185 19237 42 1 . 1 1 13 13 GLY H H 13 8.403 8.403 8.304 0.099 19237 43 1 . 1 1 14 14 VAL N N 14 119.976 119.976 121.453 -1.477 19237 44 1 . 1 1 14 14 VAL HA H 14 4.065 4.065 4.383 -0.318 19237 45 1 . 1 1 14 14 VAL CA C 14 64.423 64.423 62.688 1.735 19237 46 1 . 1 1 14 14 VAL CB C 14 33.537 33.537 32.474 1.063 19237 47 1 . 1 1 14 14 VAL H H 14 8.540 8.540 8.228 0.312 19237 48 1 . 1 1 15 15 CYS HA H 15 4.946 4.946 5.136 -0.190 19237 49 1 . 1 1 15 15 CYS CA C 15 57.919 57.919 57.961 -0.042 19237 50 1 . 1 1 15 15 CYS CB C 15 39.661 39.661 28.784 10.877 19237 51 1 . 1 1 15 15 CYS H H 15 8.289 8.289 8.422 -0.133 19237 52 1 . 1 1 16 16 GLY N N 16 114.030 114.030 110.473 3.558 19237 53 1 . 1 1 16 16 GLY CA C 16 45.808 45.808 45.456 0.352 19237 54 1 . 1 1 16 16 GLY H H 16 8.610 8.610 8.844 -0.234 19237 55 1 . 1 1 17 17 ASN HA H 17 4.876 4.876 4.869 0.007 19237 56 1 . 1 1 17 17 ASN CA C 17 53.355 53.355 52.495 0.860 19237 57 1 . 1 1 17 17 ASN H H 17 7.335 7.335 7.810 -0.475 19237 58 1 . 1 1 18 18 ASN HA H 18 4.252 4.252 4.516 -0.264 19237 59 1 . 1 1 18 18 ASN CB C 18 39.481 39.481 38.456 1.025 19237 60 1 . 1 1 18 18 ASN H H 18 9.056 9.056 8.799 0.257 19237 61 1 . 1 1 19 19 GLY N N 19 107.723 107.723 108.326 -0.603 19237 62 1 . 1 1 19 19 GLY CA C 19 47.970 47.970 46.313 1.656 19237 63 1 . 1 1 19 19 GLY H H 19 8.565 8.565 8.380 0.185 19237 64 1 . 1 1 20 20 ALA N N 20 124.931 124.931 124.069 0.862 19237 65 1 . 1 1 20 20 ALA HA H 20 4.358 4.358 4.217 0.141 19237 66 1 . 1 1 20 20 ALA CA C 20 55.758 55.758 54.902 0.856 19237 67 1 . 1 1 20 20 ALA CB C 20 19.534 19.534 18.322 1.212 19237 68 1 . 1 1 20 20 ALA H H 20 7.949 7.949 8.185 -0.236 19237 69 1 . 1 1 21 21 CYS HA H 21 4.174 4.174 3.859 0.315 19237 70 1 . 1 1 21 21 CYS CA C 21 59.283 59.283 61.639 -2.356 19237 71 1 . 1 1 21 21 CYS CB C 21 37.802 37.802 24.810 12.992 19237 72 1 . 1 1 21 21 CYS H H 21 7.335 7.335 7.988 -0.653 19237 73 1 . 1 1 22 22 ARG N N 22 122.243 122.243 121.102 1.141 19237 74 1 . 1 1 22 22 ARG HA H 22 3.249 3.249 3.697 -0.448 19237 75 1 . 1 1 22 22 ARG CA C 22 54.049 54.049 59.856 -5.807 19237 76 1 . 1 1 22 22 ARG CB C 22 29.748 29.748 29.788 -0.040 19237 77 1 . 1 1 22 22 ARG H H 22 8.494 8.494 8.071 0.423 19237 78 1 . 1 1 23 23 ASN N N 23 114.938 114.938 117.569 -2.631 19237 79 1 . 1 1 23 23 ASN HA H 23 4.399 4.399 4.372 0.027 19237 80 1 . 1 1 23 23 ASN H H 23 8.271 8.271 8.534 -0.263 19237 81 1 . 1 1 24 24 GLN N N 24 120.890 120.890 120.029 0.861 19237 82 1 . 1 1 24 24 GLN HA H 24 4.107 4.107 4.093 0.014 19237 83 1 . 1 1 24 24 GLN CB C 24 28.964 28.964 29.076 -0.112 19237 84 1 . 1 1 24 24 GLN H H 24 8.221 8.221 7.993 0.228 19237 85 1 . 1 1 25 25 CYS HA H 25 4.241 4.241 4.249 -0.008 19237 86 1 . 1 1 25 25 CYS CA C 25 60.365 60.365 63.022 -2.657 19237 87 1 . 1 1 25 25 CYS CB C 25 38.032 38.032 25.609 12.424 19237 88 1 . 1 1 25 25 CYS H H 25 8.747 8.747 8.187 0.560 19237 89 1 . 1 1 26 26 ILE N N 26 119.696 119.696 121.724 -2.028 19237 90 1 . 1 1 26 26 ILE HA H 26 3.852 3.852 4.145 -0.293 19237 91 1 . 1 1 26 26 ILE CA C 26 66.031 66.031 63.424 2.607 19237 92 1 . 1 1 26 26 ILE CB C 26 40.352 40.352 36.473 3.879 19237 93 1 . 1 1 26 26 ILE H H 26 8.198 8.198 8.241 -0.043 19237 94 1 . 1 1 27 27 ARG HA H 27 4.141 4.141 4.195 -0.054 19237 95 1 . 1 1 27 27 ARG CA C 27 60.507 60.507 58.959 1.548 19237 96 1 . 1 1 27 27 ARG CB C 27 32.042 32.042 30.284 1.758 19237 97 1 . 1 1 27 27 ARG H H 27 8.736 8.736 7.878 0.858 19237 98 1 . 1 1 28 28 LEU HA H 28 4.721 4.721 4.300 0.421 19237 99 1 . 1 1 28 28 LEU CA C 28 56.621 56.621 57.094 -0.473 19237 100 1 . 1 1 28 28 LEU CB C 28 43.722 43.722 42.401 1.321 19237 101 1 . 1 1 28 28 LEU H H 28 8.572 8.572 8.303 0.269 19237 102 1 . 1 1 29 29 GLU N N 29 115.746 115.746 115.987 -0.241 19237 103 1 . 1 1 29 29 GLU HA H 29 4.810 4.810 4.472 0.338 19237 104 1 . 1 1 29 29 GLU CA C 29 56.943 56.943 56.140 0.803 19237 105 1 . 1 1 29 29 GLU CB C 29 31.048 31.048 30.351 0.697 19237 106 1 . 1 1 29 29 GLU H H 29 7.032 7.032 7.772 -0.740 19237 107 1 . 1 1 30 30 LYS HA H 30 4.246 4.246 4.141 0.105 19237 108 1 . 1 1 30 30 LYS CA C 30 58.203 58.203 57.022 1.181 19237 109 1 . 1 1 30 30 LYS H H 30 7.475 7.475 7.686 -0.211 19237 110 1 . 1 1 31 31 ALA N N 31 120.618 120.618 120.241 0.377 19237 111 1 . 1 1 31 31 ALA HA H 31 4.009 4.009 3.972 0.037 19237 112 1 . 1 1 31 31 ALA CA C 31 51.807 51.807 51.433 0.374 19237 113 1 . 1 1 31 31 ALA CB C 31 14.022 14.022 20.147 -6.125 19237 114 1 . 1 1 31 31 ALA H H 31 7.974 7.974 8.166 -0.192 19237 115 1 . 1 1 32 32 ARG N N 32 113.739 113.739 121.171 -7.432 19237 116 1 . 1 1 32 32 ARG HA H 32 4.482 4.482 4.392 0.090 19237 117 1 . 1 1 32 32 ARG H H 32 8.230 8.230 8.354 -0.124 19237 118 1 . 1 1 33 33 HIS HA H 33 4.750 4.750 4.687 0.063 19237 119 1 . 1 1 33 33 HIS CB C 33 34.441 34.441 33.498 0.943 19237 120 1 . 1 1 33 33 HIS H H 33 7.683 7.683 7.580 0.103 19237 121 1 . 1 1 34 34 GLY N N 34 110.723 110.723 107.047 3.676 19237 122 1 . 1 1 34 34 GLY CA C 34 47.457 47.457 45.028 2.429 19237 123 1 . 1 1 34 34 GLY H H 34 6.313 6.313 7.140 -0.827 19237 124 1 . 1 1 35 35 SER HA H 35 4.118 4.118 4.701 -0.583 19237 125 1 . 1 1 35 35 SER CA C 35 61.816 61.816 57.298 4.518 19237 126 1 . 1 1 35 35 SER CB C 35 73.315 73.315 65.997 7.318 19237 127 1 . 1 1 35 35 SER H H 35 9.075 9.075 8.776 0.299 19237 128 1 . 1 1 36 36 CYS HA H 36 5.455 5.455 4.944 0.511 19237 129 1 . 1 1 36 36 CYS CA C 36 52.833 52.833 57.376 -4.543 19237 130 1 . 1 1 36 36 CYS CB C 36 37.259 37.259 25.366 11.893 19237 131 1 . 1 1 36 36 CYS H H 36 8.552 8.552 8.812 -0.260 19237 132 1 . 1 1 37 37 ASN HA H 37 4.999 4.999 4.690 0.309 19237 133 1 . 1 1 37 37 ASN CA C 37 52.088 52.088 52.749 -0.661 19237 134 1 . 1 1 37 37 ASN CB C 37 42.750 42.750 40.049 2.701 19237 135 1 . 1 1 37 37 ASN H H 37 9.079 9.079 8.073 1.006 19237 136 1 . 1 1 38 38 TYR HA H 38 4.208 4.208 4.330 -0.122 19237 137 1 . 1 1 38 38 TYR H H 38 8.829 8.829 8.644 0.185 19237 138 1 . 1 1 39 39 VAL HA H 39 3.887 3.887 3.974 -0.087 19237 139 1 . 1 1 39 39 VAL CA C 39 64.862 64.862 61.178 3.684 19237 140 1 . 1 1 39 39 VAL H H 39 7.680 7.680 7.752 -0.073 19237 141 1 . 1 1 40 40 PHE HA H 40 3.956 3.956 3.761 0.195 19237 142 1 . 1 1 40 40 PHE CA C 40 57.565 57.565 57.376 0.189 19237 143 1 . 1 1 40 40 PHE H H 40 8.441 8.441 8.033 0.408 19237 144 1 . 1 1 41 41 PRO HA H 41 3.868 3.868 3.633 0.235 19237 145 1 . 1 1 41 41 PRO CA C 41 62.617 62.617 61.889 0.728 19237 146 1 . 1 1 42 42 ALA HA H 42 4.777 4.777 4.682 0.095 19237 147 1 . 1 1 42 42 ALA CA C 42 52.598 52.598 50.820 1.778 19237 148 1 . 1 1 42 42 ALA CB C 42 23.268 23.268 21.607 1.661 19237 149 1 . 1 1 42 42 ALA H H 42 8.286 8.286 7.388 0.898 19237 150 1 . 1 1 43 43 HIS HA H 43 4.954 4.954 5.227 -0.273 19237 151 1 . 1 1 43 43 HIS CA C 43 56.597 56.597 56.088 0.510 19237 152 1 . 1 1 43 43 HIS CB C 43 31.205 31.205 30.748 0.457 19237 153 1 . 1 1 43 43 HIS H H 43 8.588 8.588 8.692 -0.104 19237 154 1 . 1 1 44 44 LYS HA H 44 4.667 4.667 4.812 -0.145 19237 155 1 . 1 1 44 44 LYS CA C 44 55.564 55.564 53.600 1.964 19237 156 1 . 1 1 44 44 LYS CB C 44 37.018 37.018 35.796 1.223 19237 157 1 . 1 1 44 44 LYS H H 44 8.825 8.825 8.774 0.051 19237 158 1 . 1 1 45 45 CYS N N 45 120.533 120.533 122.408 -1.875 19237 159 1 . 1 1 45 45 CYS HA H 45 4.714 4.714 4.260 0.454 19237 160 1 . 1 1 45 45 CYS CB C 45 36.420 36.420 25.964 10.456 19237 161 1 . 1 1 45 45 CYS H H 45 9.154 9.154 8.734 0.420 19237 162 1 . 1 1 46 46 ILE N N 46 133.530 133.530 129.747 3.783 19237 163 1 . 1 1 46 46 ILE HA H 46 4.159 4.159 4.618 -0.459 19237 164 1 . 1 1 46 46 ILE CA C 46 58.950 58.950 58.871 0.079 19237 165 1 . 1 1 46 46 ILE CB C 46 38.351 38.351 39.180 -0.829 19237 166 1 . 1 1 46 46 ILE H H 46 8.773 8.773 8.755 0.018 19237 167 1 . 1 1 47 47 CYS N N 47 120.445 120.445 127.028 -6.583 19237 168 1 . 1 1 47 47 CYS HA H 47 5.341 5.341 4.594 0.747 19237 169 1 . 1 1 47 47 CYS CA C 47 52.088 52.088 58.323 -6.235 19237 170 1 . 1 1 47 47 CYS H H 47 8.520 8.520 9.040 -0.520 19237 171 1 . 1 1 48 48 TYR N N 48 116.569 116.569 120.029 -3.460 19237 172 1 . 1 1 48 48 TYR HA H 48 5.280 5.280 4.818 0.462 19237 173 1 . 1 1 48 48 TYR CA C 48 57.903 57.903 56.164 1.739 19237 174 1 . 1 1 48 48 TYR CB C 48 42.520 42.520 39.615 2.905 19237 175 1 . 1 1 48 48 TYR H H 48 7.870 7.870 9.213 -1.343 19237 176 1 . 1 1 49 49 PHE N N 49 122.029 122.029 122.034 -0.005 19237 177 1 . 1 1 49 49 PHE HA H 49 4.961 4.961 5.001 -0.040 19237 178 1 . 1 1 49 49 PHE H H 49 9.162 9.162 8.977 0.185 19237 179 1 . 1 1 50 50 PRO HA H 50 4.894 4.894 4.466 0.428 19237 180 1 . 1 1 50 50 PRO CA C 50 64.668 64.668 63.446 1.222 19237 181 1 . 1 1 50 50 PRO CB C 50 32.918 32.918 31.372 1.546 19237 stop_ save_