data_25755 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25755 _Entry.PDB_ID 2N69 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 25755 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.256 -0.005 25755 2 1 1 . 1 1 2 2 ASP CA C 2 59.484 59.484 55.445 4.039 25755 3 1 1 . 1 1 2 2 ASP CB C 2 39.412 39.412 39.499 -0.087 25755 4 1 1 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.391 -0.046 25755 5 1 1 . 1 1 3 3 LYS CA C 3 57.556 57.556 55.982 1.574 25755 6 1 1 . 1 1 3 3 LYS CB C 3 32.593 32.593 33.160 -0.567 25755 7 1 1 . 1 1 4 4 CYS N N 4 117.049 117.049 118.514 -1.465 25755 8 1 1 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.868 -0.140 25755 9 1 1 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.052 0.363 25755 10 1 1 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.617 12.226 25755 11 1 1 . 1 1 4 4 CYS H H 4 8.486 8.486 8.118 0.368 25755 12 1 1 . 1 1 5 5 LYS N N 5 118.790 118.790 120.852 -2.062 25755 13 1 1 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.756 0.815 25755 14 1 1 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.742 -0.452 25755 15 1 1 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.600 0.006 25755 16 1 1 . 1 1 5 5 LYS H H 5 8.007 8.007 8.196 -0.189 25755 17 1 1 . 1 1 6 6 LYS N N 6 121.177 121.177 120.758 0.419 25755 18 1 1 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.590 0.195 25755 19 1 1 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.877 -0.335 25755 20 1 1 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.424 1.478 25755 21 1 1 . 1 1 6 6 LYS H H 6 9.014 9.014 8.830 0.184 25755 22 1 1 . 1 1 7 7 VAL N N 7 127.629 127.629 124.502 3.127 25755 23 1 1 . 1 1 7 7 VAL HA H 7 4.026 4.026 3.998 0.028 25755 24 1 1 . 1 1 7 7 VAL CA C 7 63.988 63.988 63.157 0.831 25755 25 1 1 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.056 1.051 25755 26 1 1 . 1 1 7 7 VAL H H 7 8.837 8.837 8.633 0.204 25755 27 1 1 . 1 1 8 8 TYR N N 8 130.003 130.003 129.122 0.881 25755 28 1 1 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.714 -0.255 25755 29 1 1 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.431 0.289 25755 30 1 1 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.918 -1.900 25755 31 1 1 . 1 1 8 8 TYR H H 8 9.251 9.251 8.221 1.030 25755 32 1 1 . 1 1 9 9 GLU N N 9 130.851 130.851 124.745 6.106 25755 33 1 1 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.033 0.171 25755 34 1 1 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.716 -0.199 25755 35 1 1 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.414 -0.023 25755 36 1 1 . 1 1 9 9 GLU H H 9 9.072 9.072 8.404 0.668 25755 37 1 1 . 1 1 10 10 ASN N N 10 116.120 116.120 116.981 -0.861 25755 38 1 1 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.575 -0.137 25755 39 1 1 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.999 1.587 25755 40 1 1 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.344 -0.066 25755 41 1 1 . 1 1 10 10 ASN H H 10 9.301 9.301 7.703 1.598 25755 42 1 1 . 1 1 11 11 TYR N N 11 122.436 122.436 120.716 1.720 25755 43 1 1 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.651 -0.457 25755 44 1 1 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.490 2.122 25755 45 1 1 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.939 -2.472 25755 46 1 1 . 1 1 11 11 TYR H H 11 7.550 7.550 7.579 -0.029 25755 47 1 1 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.528 -0.081 25755 48 1 1 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.530 -0.032 25755 49 1 1 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.653 -2.062 25755 50 1 1 . 1 1 13 13 VAL N N 13 124.506 124.506 121.876 2.630 25755 51 1 1 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.783 0.053 25755 52 1 1 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.803 0.958 25755 53 1 1 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.375 0.205 25755 54 1 1 . 1 1 13 13 VAL H H 13 8.169 8.169 8.480 -0.311 25755 55 1 1 . 1 1 14 14 SER N N 14 116.625 116.625 117.208 -0.583 25755 56 1 1 . 1 1 14 14 SER HA H 14 4.206 4.206 4.425 -0.219 25755 57 1 1 . 1 1 14 14 SER CA C 14 61.194 61.194 61.859 -0.665 25755 58 1 1 . 1 1 14 14 SER CB C 14 62.041 62.041 62.591 -0.550 25755 59 1 1 . 1 1 14 14 SER H H 14 8.396 8.396 8.220 0.176 25755 60 1 1 . 1 1 15 15 LYS N N 15 120.843 120.843 122.124 -1.281 25755 61 1 1 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.027 0.173 25755 62 1 1 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.212 0.411 25755 63 1 1 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.047 0.140 25755 64 1 1 . 1 1 15 15 LYS H H 15 7.791 7.791 7.776 0.015 25755 65 1 1 . 1 1 16 16 CYS N N 16 115.949 115.949 117.709 -1.760 25755 66 1 1 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.696 0.197 25755 67 1 1 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.303 -4.734 25755 68 1 1 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.932 14.505 25755 69 1 1 . 1 1 16 16 CYS H H 16 7.870 7.870 7.483 0.387 25755 70 1 1 . 1 1 17 17 GLN N N 17 117.241 117.241 117.268 -0.027 25755 71 1 1 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.091 0.183 25755 72 1 1 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.172 -0.235 25755 73 1 1 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.639 0.548 25755 74 1 1 . 1 1 17 17 GLN H H 17 7.560 7.560 7.618 -0.058 25755 75 1 1 . 1 1 18 18 LEU N N 18 120.537 120.537 121.213 -0.676 25755 76 1 1 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.147 0.293 25755 77 1 1 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.378 0.070 25755 78 1 1 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.108 0.729 25755 79 1 1 . 1 1 18 18 LEU H H 18 7.369 7.369 7.362 0.007 25755 80 1 1 . 1 1 19 19 ARG N N 19 121.697 121.697 123.237 -1.540 25755 81 1 1 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.072 0.227 25755 82 1 1 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.636 -0.800 25755 83 1 1 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.359 0.033 25755 84 1 1 . 1 1 19 19 ARG H H 19 8.447 8.447 7.975 0.472 25755 85 1 1 . 1 1 20 20 ILE N N 20 116.439 116.439 116.848 -0.409 25755 86 1 1 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.055 0.079 25755 87 1 1 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.459 0.038 25755 88 1 1 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.237 -0.073 25755 89 1 1 . 1 1 20 20 ILE H H 20 7.758 7.758 7.758 -0.000 25755 90 1 1 . 1 1 21 21 ALA N N 21 122.642 122.642 122.963 -0.321 25755 91 1 1 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.584 -0.202 25755 92 1 1 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.573 0.822 25755 93 1 1 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.707 0.391 25755 94 1 1 . 1 1 21 21 ALA H H 21 7.727 7.727 7.219 0.508 25755 95 1 1 . 1 1 22 22 ASN N N 22 116.616 116.616 121.275 -4.659 25755 96 1 1 . 1 1 22 22 ASN HA H 22 4.791 4.791 5.017 -0.226 25755 97 1 1 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.020 0.857 25755 98 1 1 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.165 -0.611 25755 99 1 1 . 1 1 22 22 ASN H H 22 8.307 8.307 8.535 -0.228 25755 100 1 1 . 1 1 23 23 GLN N N 23 124.357 124.357 123.644 0.713 25755 101 1 1 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.332 -0.314 25755 102 1 1 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.252 1.396 25755 103 1 1 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.182 1.217 25755 104 1 1 . 1 1 23 23 GLN H H 23 8.542 8.542 8.325 0.217 25755 105 1 1 . 1 1 24 24 CYS N N 24 118.909 118.909 119.907 -0.998 25755 106 1 1 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.958 0.326 25755 107 1 1 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.938 -4.532 25755 108 1 1 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.879 11.897 25755 109 1 1 . 1 1 24 24 CYS H H 24 8.352 8.352 8.433 -0.081 25755 110 1 1 . 1 1 25 25 ASN N N 25 118.182 118.182 119.061 -0.879 25755 111 1 1 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.233 -0.345 25755 112 1 1 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.568 1.104 25755 113 1 1 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.370 2.403 25755 114 1 1 . 1 1 25 25 ASN H H 25 7.504 7.504 8.380 -0.876 25755 115 1 1 . 1 1 26 26 TYR N N 26 117.354 117.354 119.305 -1.951 25755 116 1 1 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.228 -0.263 25755 117 1 1 . 1 1 26 26 TYR CA C 26 62.162 62.162 60.596 1.566 25755 118 1 1 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.615 0.015 25755 119 1 1 . 1 1 26 26 TYR H H 26 7.322 7.322 7.565 -0.243 25755 120 1 1 . 1 1 27 27 ASP N N 27 119.874 119.874 120.257 -0.383 25755 121 1 1 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.346 0.309 25755 122 1 1 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.787 -0.197 25755 123 1 1 . 1 1 27 27 ASP H H 27 9.218 9.218 8.152 1.066 25755 124 1 1 . 1 1 28 28 CYS N N 28 119.782 119.782 119.160 0.622 25755 125 1 1 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.902 0.266 25755 126 1 1 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.730 -1.816 25755 127 1 1 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.197 10.748 25755 128 1 1 . 1 1 28 28 CYS H H 28 9.171 9.171 8.331 0.840 25755 129 1 1 . 1 1 29 29 LYS N N 29 119.663 119.663 118.922 0.741 25755 130 1 1 . 1 1 29 29 LYS HA H 29 4.137 4.137 4.019 0.118 25755 131 1 1 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.134 0.647 25755 132 1 1 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.901 0.512 25755 133 1 1 . 1 1 29 29 LYS H H 29 7.546 7.546 7.520 0.026 25755 134 1 1 . 1 1 30 30 LEU N N 30 119.987 119.987 120.958 -0.971 25755 135 1 1 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.937 0.174 25755 136 1 1 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.927 -0.255 25755 137 1 1 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.251 0.128 25755 138 1 1 . 1 1 30 30 LEU H H 30 8.226 8.226 7.687 0.539 25755 139 1 1 . 1 1 31 31 ASP N N 31 116.853 116.853 116.097 0.756 25755 140 1 1 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.602 -0.056 25755 141 1 1 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.390 0.876 25755 142 1 1 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.137 -0.659 25755 143 1 1 . 1 1 31 31 ASP H H 31 9.019 9.019 7.821 1.198 25755 144 1 1 . 1 1 32 32 LYS N N 32 112.075 112.075 118.378 -6.303 25755 145 1 1 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.157 0.392 25755 146 1 1 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.536 -4.071 25755 147 1 1 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.593 -0.728 25755 148 1 1 . 1 1 32 32 LYS H H 32 6.639 6.639 8.194 -1.555 25755 149 1 1 . 1 1 33 33 HIS N N 33 112.955 112.955 114.577 -1.622 25755 150 1 1 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.133 0.490 25755 151 1 1 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.244 1.242 25755 152 1 1 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.358 -2.664 25755 153 1 1 . 1 1 33 33 HIS H H 33 7.065 7.065 8.072 -1.007 25755 154 1 1 . 1 1 34 34 ALA N N 34 120.177 120.177 119.451 0.726 25755 155 1 1 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.684 0.465 25755 156 1 1 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.449 -1.669 25755 157 1 1 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.633 -0.515 25755 158 1 1 . 1 1 34 34 ALA H H 34 7.716 7.716 7.090 0.626 25755 159 1 1 . 1 1 35 35 ARG N N 35 116.636 116.636 117.703 -1.067 25755 160 1 1 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.016 0.190 25755 161 1 1 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.497 -1.421 25755 162 1 1 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.704 0.013 25755 163 1 1 . 1 1 35 35 ARG H H 35 8.295 8.295 8.018 0.277 25755 164 1 1 . 1 1 36 36 SER N N 36 109.273 109.273 110.910 -1.637 25755 165 1 1 . 1 1 36 36 SER HA H 36 4.646 4.646 4.434 0.212 25755 166 1 1 . 1 1 36 36 SER CA C 36 57.703 57.703 58.151 -0.448 25755 167 1 1 . 1 1 36 36 SER CB C 36 65.425 65.425 65.269 0.156 25755 168 1 1 . 1 1 36 36 SER H H 36 8.026 8.026 7.962 0.064 25755 169 1 1 . 1 1 37 37 GLY N N 37 107.305 107.305 109.361 -2.056 25755 170 1 1 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.821 2.331 25755 171 1 1 . 1 1 37 37 GLY H H 37 8.679 8.679 7.799 0.880 25755 172 1 1 . 1 1 38 38 GLU N N 38 119.065 119.065 122.137 -3.072 25755 173 1 1 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.545 -0.143 25755 174 1 1 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.760 1.013 25755 175 1 1 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.943 -2.121 25755 176 1 1 . 1 1 38 38 GLU H H 38 8.351 8.351 8.817 -0.466 25755 177 1 1 . 1 1 39 39 CYS N N 39 121.636 121.636 118.354 3.282 25755 178 1 1 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.446 0.541 25755 179 1 1 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.580 -0.852 25755 180 1 1 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.720 16.299 25755 181 1 1 . 1 1 39 39 CYS H H 39 8.839 8.839 8.237 0.602 25755 182 1 1 . 1 1 40 40 PHE N N 40 121.987 121.987 120.051 1.936 25755 183 1 1 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.779 -0.009 25755 184 1 1 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.553 0.416 25755 185 1 1 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.850 0.910 25755 186 1 1 . 1 1 40 40 PHE H H 40 9.214 9.214 8.895 0.319 25755 187 1 1 . 1 1 41 41 TYR N N 41 121.905 121.905 119.279 2.626 25755 188 1 1 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.708 0.252 25755 189 1 1 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.687 -0.154 25755 190 1 1 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.388 0.914 25755 191 1 1 . 1 1 41 41 TYR H H 41 8.557 8.557 8.735 -0.178 25755 192 1 1 . 1 1 42 42 ASP N N 42 123.133 123.133 120.432 2.701 25755 193 1 1 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.767 -0.014 25755 194 1 1 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.043 0.383 25755 195 1 1 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.492 -0.872 25755 196 1 1 . 1 1 42 42 ASP H H 42 8.603 8.603 8.364 0.239 25755 197 1 1 . 1 1 43 43 GLU N N 43 118.012 118.012 118.494 -0.482 25755 198 1 1 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.101 0.108 25755 199 1 1 . 1 1 43 43 GLU CA C 43 58.865 58.865 59.376 -0.511 25755 200 1 1 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.447 -0.210 25755 201 1 1 . 1 1 43 43 GLU H H 43 9.081 9.081 8.792 0.289 25755 202 1 1 . 1 1 44 44 LYS N N 44 120.047 120.047 116.738 3.309 25755 203 1 1 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.336 0.108 25755 204 1 1 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.551 0.110 25755 205 1 1 . 1 1 44 44 LYS CB C 44 32.039 32.039 31.725 0.314 25755 206 1 1 . 1 1 44 44 LYS H H 44 8.162 8.162 8.491 -0.329 25755 207 1 1 . 1 1 45 45 ARG N N 45 113.453 113.453 115.385 -1.932 25755 208 1 1 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.071 -0.408 25755 209 1 1 . 1 1 45 45 ARG CA C 45 57.736 57.736 57.113 0.623 25755 210 1 1 . 1 1 45 45 ARG CB C 45 26.390 26.390 26.956 -0.566 25755 211 1 1 . 1 1 45 45 ARG H H 45 8.335 8.335 8.095 0.240 25755 212 1 1 . 1 1 46 46 ASN N N 46 118.207 118.207 117.628 0.579 25755 213 1 1 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.021 -0.039 25755 214 1 1 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.826 1.240 25755 215 1 1 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.684 -0.391 25755 216 1 1 . 1 1 46 46 ASN H H 46 8.745 8.745 9.026 -0.281 25755 217 1 1 . 1 1 47 47 LEU N N 47 125.815 125.815 127.032 -1.217 25755 218 1 1 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.053 0.226 25755 219 1 1 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.939 0.351 25755 220 1 1 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.599 1.706 25755 221 1 1 . 1 1 47 47 LEU H H 47 8.509 8.509 8.801 -0.292 25755 222 1 1 . 1 1 48 48 GLN N N 48 120.834 120.834 122.527 -1.693 25755 223 1 1 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.652 0.084 25755 224 1 1 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.049 0.056 25755 225 1 1 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.617 -0.751 25755 226 1 1 . 1 1 48 48 GLN H H 48 8.589 8.589 8.922 -0.333 25755 227 1 1 . 1 1 49 49 CYS N N 49 121.829 121.829 122.977 -1.148 25755 228 1 1 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.598 0.260 25755 229 1 1 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.522 -3.567 25755 230 1 1 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.476 12.969 25755 231 1 1 . 1 1 49 49 CYS H H 49 9.247 9.247 8.976 0.271 25755 232 1 1 . 1 1 50 50 ILE N N 50 129.010 129.010 129.976 -0.966 25755 233 1 1 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.393 -0.007 25755 234 1 1 . 1 1 50 50 ILE CA C 50 60.421 60.421 62.116 -1.695 25755 235 1 1 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.772 -0.368 25755 236 1 1 . 1 1 50 50 ILE H H 50 8.787 8.787 7.917 0.870 25755 237 1 1 . 1 1 51 51 CYS N N 51 126.108 126.108 127.592 -1.484 25755 238 1 1 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.620 0.717 25755 239 1 1 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.562 -6.744 25755 240 1 1 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.593 6.389 25755 241 1 1 . 1 1 51 51 CYS H H 51 8.556 8.556 9.303 -0.747 25755 242 1 1 . 1 1 52 52 ASP N N 52 122.342 122.342 120.455 1.887 25755 243 1 1 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.840 0.673 25755 244 1 1 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.875 -1.292 25755 245 1 1 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.989 -0.158 25755 246 1 1 . 1 1 52 52 ASP H H 52 8.826 8.826 8.468 0.358 25755 247 1 1 . 1 1 53 53 TYR N N 53 125.370 125.370 123.419 1.951 25755 248 1 1 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.629 -0.371 25755 249 1 1 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.882 0.783 25755 250 1 1 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.305 -0.522 25755 251 1 1 . 1 1 53 53 TYR H H 53 9.734 9.734 8.732 1.002 25755 252 1 1 . 1 1 54 54 CYS N N 54 120.418 120.418 121.168 -0.750 25755 253 1 1 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.441 0.053 25755 254 1 1 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.813 -4.670 25755 255 1 1 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.037 15.345 25755 256 1 1 . 1 1 54 54 CYS H H 54 9.478 9.478 8.975 0.503 25755 257 1 1 . 1 1 55 55 GLU N N 55 121.097 121.097 120.154 0.943 25755 258 1 1 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.686 -0.374 25755 259 1 1 . 1 1 55 55 GLU CA C 55 56.010 56.010 55.960 0.050 25755 260 1 1 . 1 1 55 55 GLU CB C 55 31.014 31.014 31.149 -0.135 25755 261 1 1 . 1 1 55 55 GLU H H 55 8.423 8.423 8.011 0.412 25755 262 1 2 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.292 -0.041 25755 263 1 2 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.313 5.171 25755 264 1 2 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.327 -0.915 25755 265 1 2 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.104 0.241 25755 266 1 2 . 1 1 3 3 LYS CA C 3 57.556 57.556 57.520 0.036 25755 267 1 2 . 1 1 3 3 LYS CB C 3 32.593 32.593 33.009 -0.416 25755 268 1 2 . 1 1 4 4 CYS N N 4 117.049 117.049 117.561 -0.512 25755 269 1 2 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.861 -0.133 25755 270 1 2 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.002 1.413 25755 271 1 2 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.423 12.420 25755 272 1 2 . 1 1 4 4 CYS H H 4 8.486 8.486 7.982 0.504 25755 273 1 2 . 1 1 5 5 LYS N N 5 118.790 118.790 120.889 -2.099 25755 274 1 2 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.836 0.735 25755 275 1 2 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.749 -0.459 25755 276 1 2 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.719 -0.113 25755 277 1 2 . 1 1 5 5 LYS H H 5 8.007 8.007 8.228 -0.221 25755 278 1 2 . 1 1 6 6 LYS N N 6 121.177 121.177 120.501 0.676 25755 279 1 2 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.558 0.227 25755 280 1 2 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.819 -0.277 25755 281 1 2 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.426 1.476 25755 282 1 2 . 1 1 6 6 LYS H H 6 9.014 9.014 8.831 0.183 25755 283 1 2 . 1 1 7 7 VAL N N 7 127.629 127.629 124.785 2.844 25755 284 1 2 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.152 -0.126 25755 285 1 2 . 1 1 7 7 VAL CA C 7 63.988 63.988 61.546 2.442 25755 286 1 2 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.634 0.473 25755 287 1 2 . 1 1 7 7 VAL H H 7 8.837 8.837 8.572 0.265 25755 288 1 2 . 1 1 8 8 TYR N N 8 130.003 130.003 129.757 0.246 25755 289 1 2 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.751 -0.292 25755 290 1 2 . 1 1 8 8 TYR CA C 8 55.720 55.720 56.031 -0.311 25755 291 1 2 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.599 -2.581 25755 292 1 2 . 1 1 8 8 TYR H H 8 9.251 9.251 8.281 0.970 25755 293 1 2 . 1 1 9 9 GLU N N 9 130.851 130.851 125.819 5.032 25755 294 1 2 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.163 0.041 25755 295 1 2 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.072 0.445 25755 296 1 2 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.492 -0.101 25755 297 1 2 . 1 1 9 9 GLU H H 9 9.072 9.072 8.577 0.495 25755 298 1 2 . 1 1 10 10 ASN N N 10 116.120 116.120 116.866 -0.746 25755 299 1 2 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.665 -0.227 25755 300 1 2 . 1 1 10 10 ASN CA C 10 54.587 54.587 53.034 1.553 25755 301 1 2 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.874 -0.596 25755 302 1 2 . 1 1 10 10 ASN H H 10 9.301 9.301 7.663 1.638 25755 303 1 2 . 1 1 11 11 TYR N N 11 122.436 122.436 120.559 1.877 25755 304 1 2 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.712 -0.518 25755 305 1 2 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.406 2.206 25755 306 1 2 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.747 -2.280 25755 307 1 2 . 1 1 11 11 TYR H H 11 7.550 7.550 7.329 0.221 25755 308 1 2 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.576 -0.129 25755 309 1 2 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.707 -0.209 25755 310 1 2 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.725 -2.134 25755 311 1 2 . 1 1 13 13 VAL N N 13 124.506 124.506 122.398 2.108 25755 312 1 2 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.758 0.078 25755 313 1 2 . 1 1 13 13 VAL CA C 13 65.761 65.761 65.081 0.680 25755 314 1 2 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.624 -0.044 25755 315 1 2 . 1 1 13 13 VAL H H 13 8.169 8.169 8.425 -0.256 25755 316 1 2 . 1 1 14 14 SER N N 14 116.625 116.625 116.792 -0.167 25755 317 1 2 . 1 1 14 14 SER HA H 14 4.206 4.206 4.390 -0.184 25755 318 1 2 . 1 1 14 14 SER CA C 14 61.194 61.194 61.705 -0.511 25755 319 1 2 . 1 1 14 14 SER CB C 14 62.041 62.041 62.479 -0.438 25755 320 1 2 . 1 1 14 14 SER H H 14 8.396 8.396 8.303 0.093 25755 321 1 2 . 1 1 15 15 LYS N N 15 120.843 120.843 122.311 -1.468 25755 322 1 2 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.018 0.182 25755 323 1 2 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.322 0.301 25755 324 1 2 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.085 0.101 25755 325 1 2 . 1 1 15 15 LYS H H 15 7.791 7.791 7.682 0.109 25755 326 1 2 . 1 1 16 16 CYS N N 16 115.949 115.949 117.475 -1.526 25755 327 1 2 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.475 0.418 25755 328 1 2 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.278 -4.707 25755 329 1 2 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.725 14.712 25755 330 1 2 . 1 1 16 16 CYS H H 16 7.870 7.870 7.520 0.350 25755 331 1 2 . 1 1 17 17 GLN N N 17 117.241 117.241 117.320 -0.079 25755 332 1 2 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.082 0.192 25755 333 1 2 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.201 -0.264 25755 334 1 2 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.649 0.538 25755 335 1 2 . 1 1 17 17 GLN H H 17 7.560 7.560 7.691 -0.131 25755 336 1 2 . 1 1 18 18 LEU N N 18 120.537 120.537 121.603 -1.066 25755 337 1 2 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.150 0.290 25755 338 1 2 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.167 0.281 25755 339 1 2 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.060 0.777 25755 340 1 2 . 1 1 18 18 LEU H H 18 7.369 7.369 7.444 -0.075 25755 341 1 2 . 1 1 19 19 ARG N N 19 121.697 121.697 123.480 -1.783 25755 342 1 2 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.046 0.253 25755 343 1 2 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.397 -0.561 25755 344 1 2 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.039 0.353 25755 345 1 2 . 1 1 19 19 ARG H H 19 8.447 8.447 8.046 0.401 25755 346 1 2 . 1 1 20 20 ILE N N 20 116.439 116.439 116.340 0.099 25755 347 1 2 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.073 0.061 25755 348 1 2 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.320 0.177 25755 349 1 2 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.171 -0.007 25755 350 1 2 . 1 1 20 20 ILE H H 20 7.758 7.758 7.748 0.010 25755 351 1 2 . 1 1 21 21 ALA N N 21 122.642 122.642 122.877 -0.235 25755 352 1 2 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.587 -0.205 25755 353 1 2 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.663 0.732 25755 354 1 2 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.799 0.299 25755 355 1 2 . 1 1 21 21 ALA H H 21 7.727 7.727 7.328 0.399 25755 356 1 2 . 1 1 22 22 ASN N N 22 116.616 116.616 121.943 -5.327 25755 357 1 2 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.900 -0.109 25755 358 1 2 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.355 0.522 25755 359 1 2 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.026 -0.472 25755 360 1 2 . 1 1 22 22 ASN H H 22 8.307 8.307 8.552 -0.245 25755 361 1 2 . 1 1 23 23 GLN N N 23 124.357 124.357 123.243 1.114 25755 362 1 2 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.328 -0.310 25755 363 1 2 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.883 0.765 25755 364 1 2 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.804 0.595 25755 365 1 2 . 1 1 23 23 GLN H H 23 8.542 8.542 8.209 0.333 25755 366 1 2 . 1 1 24 24 CYS N N 24 118.909 118.909 119.414 -0.505 25755 367 1 2 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.985 0.299 25755 368 1 2 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.581 -4.175 25755 369 1 2 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.816 11.960 25755 370 1 2 . 1 1 24 24 CYS H H 24 8.352 8.352 8.566 -0.214 25755 371 1 2 . 1 1 25 25 ASN N N 25 118.182 118.182 119.844 -1.662 25755 372 1 2 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.226 -0.338 25755 373 1 2 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.696 0.976 25755 374 1 2 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.148 2.625 25755 375 1 2 . 1 1 25 25 ASN H H 25 7.504 7.504 8.460 -0.956 25755 376 1 2 . 1 1 26 26 TYR N N 26 117.354 117.354 120.246 -2.892 25755 377 1 2 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.166 -0.201 25755 378 1 2 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.530 0.632 25755 379 1 2 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.704 -0.074 25755 380 1 2 . 1 1 26 26 TYR H H 26 7.322 7.322 7.544 -0.222 25755 381 1 2 . 1 1 27 27 ASP N N 27 119.874 119.874 120.091 -0.217 25755 382 1 2 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.358 0.297 25755 383 1 2 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.810 -0.220 25755 384 1 2 . 1 1 27 27 ASP H H 27 9.218 9.218 8.145 1.073 25755 385 1 2 . 1 1 28 28 CYS N N 28 119.782 119.782 119.065 0.717 25755 386 1 2 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.881 0.287 25755 387 1 2 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.673 -1.759 25755 388 1 2 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.163 10.782 25755 389 1 2 . 1 1 28 28 CYS H H 28 9.171 9.171 8.364 0.807 25755 390 1 2 . 1 1 29 29 LYS N N 29 119.663 119.663 118.390 1.273 25755 391 1 2 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.869 0.268 25755 392 1 2 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.966 0.815 25755 393 1 2 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.695 0.718 25755 394 1 2 . 1 1 29 29 LYS H H 29 7.546 7.546 7.426 0.120 25755 395 1 2 . 1 1 30 30 LEU N N 30 119.987 119.987 120.986 -0.999 25755 396 1 2 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.952 0.159 25755 397 1 2 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.871 -0.199 25755 398 1 2 . 1 1 30 30 LEU CB C 30 42.379 42.379 41.421 0.958 25755 399 1 2 . 1 1 30 30 LEU H H 30 8.226 8.226 7.560 0.666 25755 400 1 2 . 1 1 31 31 ASP N N 31 116.853 116.853 117.230 -0.377 25755 401 1 2 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.638 -0.092 25755 402 1 2 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.644 0.622 25755 403 1 2 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.735 -1.257 25755 404 1 2 . 1 1 31 31 ASP H H 31 9.019 9.019 7.827 1.192 25755 405 1 2 . 1 1 32 32 LYS N N 32 112.075 112.075 118.637 -6.562 25755 406 1 2 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.177 0.372 25755 407 1 2 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.869 -4.404 25755 408 1 2 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.590 -0.725 25755 409 1 2 . 1 1 32 32 LYS H H 32 6.639 6.639 8.351 -1.712 25755 410 1 2 . 1 1 33 33 HIS N N 33 112.955 112.955 114.338 -1.383 25755 411 1 2 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.205 0.418 25755 412 1 2 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.928 0.558 25755 413 1 2 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.820 -2.126 25755 414 1 2 . 1 1 33 33 HIS H H 33 7.065 7.065 8.051 -0.986 25755 415 1 2 . 1 1 34 34 ALA N N 34 120.177 120.177 118.771 1.406 25755 416 1 2 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.716 0.433 25755 417 1 2 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.379 -1.600 25755 418 1 2 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.582 -0.464 25755 419 1 2 . 1 1 34 34 ALA H H 34 7.716 7.716 7.099 0.617 25755 420 1 2 . 1 1 35 35 ARG N N 35 116.636 116.636 117.030 -0.394 25755 421 1 2 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.104 0.102 25755 422 1 2 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.232 -0.156 25755 423 1 2 . 1 1 35 35 ARG CB C 35 30.717 30.717 29.923 0.794 25755 424 1 2 . 1 1 35 35 ARG H H 35 8.295 8.295 8.004 0.291 25755 425 1 2 . 1 1 36 36 SER N N 36 109.273 109.273 111.724 -2.451 25755 426 1 2 . 1 1 36 36 SER HA H 36 4.646 4.646 4.407 0.239 25755 427 1 2 . 1 1 36 36 SER CA C 36 57.703 57.703 57.789 -0.086 25755 428 1 2 . 1 1 36 36 SER CB C 36 65.425 65.425 64.757 0.668 25755 429 1 2 . 1 1 36 36 SER H H 36 8.026 8.026 7.924 0.102 25755 430 1 2 . 1 1 37 37 GLY N N 37 107.305 107.305 110.821 -3.516 25755 431 1 2 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.807 2.345 25755 432 1 2 . 1 1 37 37 GLY H H 37 8.679 8.679 7.783 0.896 25755 433 1 2 . 1 1 38 38 GLU N N 38 119.065 119.065 122.097 -3.032 25755 434 1 2 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.556 -0.154 25755 435 1 2 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.743 1.030 25755 436 1 2 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.968 -2.146 25755 437 1 2 . 1 1 38 38 GLU H H 38 8.351 8.351 8.879 -0.528 25755 438 1 2 . 1 1 39 39 CYS N N 39 121.636 121.636 118.555 3.081 25755 439 1 2 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.316 0.671 25755 440 1 2 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.773 -1.045 25755 441 1 2 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.396 16.623 25755 442 1 2 . 1 1 39 39 CYS H H 39 8.839 8.839 8.313 0.526 25755 443 1 2 . 1 1 40 40 PHE N N 40 121.987 121.987 120.395 1.592 25755 444 1 2 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.790 -0.020 25755 445 1 2 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.560 0.409 25755 446 1 2 . 1 1 40 40 PHE CB C 40 43.760 43.760 43.019 0.741 25755 447 1 2 . 1 1 40 40 PHE H H 40 9.214 9.214 8.812 0.402 25755 448 1 2 . 1 1 41 41 TYR N N 41 121.905 121.905 119.025 2.880 25755 449 1 2 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.633 0.327 25755 450 1 2 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.019 -0.487 25755 451 1 2 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.262 1.040 25755 452 1 2 . 1 1 41 41 TYR H H 41 8.557 8.557 8.671 -0.114 25755 453 1 2 . 1 1 42 42 ASP N N 42 123.133 123.133 121.157 1.976 25755 454 1 2 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.835 -0.082 25755 455 1 2 . 1 1 42 42 ASP CA C 42 52.426 52.426 53.038 -0.612 25755 456 1 2 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.638 -1.018 25755 457 1 2 . 1 1 42 42 ASP H H 42 8.603 8.603 7.984 0.619 25755 458 1 2 . 1 1 43 43 GLU N N 43 118.012 118.012 119.715 -1.703 25755 459 1 2 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.130 0.079 25755 460 1 2 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.791 0.074 25755 461 1 2 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.588 -0.351 25755 462 1 2 . 1 1 43 43 GLU H H 43 9.081 9.081 8.641 0.440 25755 463 1 2 . 1 1 44 44 LYS N N 44 120.047 120.047 117.405 2.642 25755 464 1 2 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.436 0.008 25755 465 1 2 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.432 0.229 25755 466 1 2 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.742 -0.703 25755 467 1 2 . 1 1 44 44 LYS H H 44 8.162 8.162 7.772 0.390 25755 468 1 2 . 1 1 45 45 ARG N N 45 113.453 113.453 115.674 -2.221 25755 469 1 2 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.052 -0.389 25755 470 1 2 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.858 0.879 25755 471 1 2 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.485 -1.095 25755 472 1 2 . 1 1 45 45 ARG H H 45 8.335 8.335 7.729 0.606 25755 473 1 2 . 1 1 46 46 ASN N N 46 118.207 118.207 116.572 1.635 25755 474 1 2 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.932 0.050 25755 475 1 2 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.309 0.757 25755 476 1 2 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.764 0.529 25755 477 1 2 . 1 1 46 46 ASN H H 46 8.745 8.745 8.245 0.500 25755 478 1 2 . 1 1 47 47 LEU N N 47 125.815 125.815 126.735 -0.920 25755 479 1 2 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.017 0.262 25755 480 1 2 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.956 0.334 25755 481 1 2 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.368 1.938 25755 482 1 2 . 1 1 47 47 LEU H H 47 8.509 8.509 8.796 -0.287 25755 483 1 2 . 1 1 48 48 GLN N N 48 120.834 120.834 122.294 -1.460 25755 484 1 2 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.683 0.053 25755 485 1 2 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.015 0.090 25755 486 1 2 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.471 -0.605 25755 487 1 2 . 1 1 48 48 GLN H H 48 8.589 8.589 8.903 -0.314 25755 488 1 2 . 1 1 49 49 CYS N N 49 121.829 121.829 122.833 -1.004 25755 489 1 2 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.563 0.295 25755 490 1 2 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.195 -4.240 25755 491 1 2 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.678 12.767 25755 492 1 2 . 1 1 49 49 CYS H H 49 9.247 9.247 8.853 0.394 25755 493 1 2 . 1 1 50 50 ILE N N 50 129.010 129.010 130.345 -1.335 25755 494 1 2 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.514 -0.128 25755 495 1 2 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.663 -1.242 25755 496 1 2 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.338 -0.934 25755 497 1 2 . 1 1 50 50 ILE H H 50 8.787 8.787 8.353 0.434 25755 498 1 2 . 1 1 51 51 CYS N N 51 126.108 126.108 127.275 -1.167 25755 499 1 2 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.698 0.639 25755 500 1 2 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.711 -6.893 25755 501 1 2 . 1 1 51 51 CYS CB C 51 35.982 35.982 30.012 5.970 25755 502 1 2 . 1 1 51 51 CYS H H 51 8.556 8.556 9.080 -0.524 25755 503 1 2 . 1 1 52 52 ASP N N 52 122.342 122.342 120.457 1.885 25755 504 1 2 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.762 0.751 25755 505 1 2 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.319 -0.736 25755 506 1 2 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.296 0.535 25755 507 1 2 . 1 1 52 52 ASP H H 52 8.826 8.826 8.581 0.245 25755 508 1 2 . 1 1 53 53 TYR N N 53 125.370 125.370 123.643 1.727 25755 509 1 2 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.624 -0.366 25755 510 1 2 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.894 0.771 25755 511 1 2 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.618 -0.835 25755 512 1 2 . 1 1 53 53 TYR H H 53 9.734 9.734 8.676 1.058 25755 513 1 2 . 1 1 54 54 CYS N N 54 120.418 120.418 121.661 -1.243 25755 514 1 2 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.503 -0.009 25755 515 1 2 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.679 -4.536 25755 516 1 2 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.763 15.619 25755 517 1 2 . 1 1 54 54 CYS H H 54 9.478 9.478 8.961 0.517 25755 518 1 2 . 1 1 55 55 GLU N N 55 121.097 121.097 118.420 2.677 25755 519 1 2 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.663 -0.351 25755 520 1 2 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.136 -0.126 25755 521 1 2 . 1 1 55 55 GLU CB C 55 31.014 31.014 32.511 -1.497 25755 522 1 2 . 1 1 55 55 GLU H H 55 8.423 8.423 8.079 0.344 25755 523 1 3 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.936 -0.685 25755 524 1 3 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.150 5.334 25755 525 1 3 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.725 -1.313 25755 526 1 3 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.398 -0.053 25755 527 1 3 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.227 1.329 25755 528 1 3 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.740 -0.147 25755 529 1 3 . 1 1 4 4 CYS N N 4 117.049 117.049 120.403 -3.354 25755 530 1 3 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.828 -0.100 25755 531 1 3 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.790 -0.375 25755 532 1 3 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.208 12.635 25755 533 1 3 . 1 1 4 4 CYS H H 4 8.486 8.486 8.283 0.203 25755 534 1 3 . 1 1 5 5 LYS N N 5 118.790 118.790 120.983 -2.193 25755 535 1 3 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.879 0.692 25755 536 1 3 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.537 -0.247 25755 537 1 3 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.223 -0.617 25755 538 1 3 . 1 1 5 5 LYS H H 5 8.007 8.007 8.331 -0.324 25755 539 1 3 . 1 1 6 6 LYS N N 6 121.177 121.177 120.830 0.347 25755 540 1 3 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.586 0.199 25755 541 1 3 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.802 -0.260 25755 542 1 3 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.426 1.476 25755 543 1 3 . 1 1 6 6 LYS H H 6 9.014 9.014 8.813 0.201 25755 544 1 3 . 1 1 7 7 VAL N N 7 127.629 127.629 125.101 2.528 25755 545 1 3 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.034 -0.008 25755 546 1 3 . 1 1 7 7 VAL CA C 7 63.988 63.988 63.597 0.391 25755 547 1 3 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.215 0.892 25755 548 1 3 . 1 1 7 7 VAL H H 7 8.837 8.837 8.638 0.199 25755 549 1 3 . 1 1 8 8 TYR N N 8 130.003 130.003 129.316 0.687 25755 550 1 3 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.723 -0.264 25755 551 1 3 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.420 0.300 25755 552 1 3 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.438 -1.419 25755 553 1 3 . 1 1 8 8 TYR H H 8 9.251 9.251 8.344 0.907 25755 554 1 3 . 1 1 9 9 GLU N N 9 130.851 130.851 124.031 6.820 25755 555 1 3 . 1 1 9 9 GLU HA H 9 4.204 4.204 3.979 0.225 25755 556 1 3 . 1 1 9 9 GLU CA C 9 58.517 58.517 59.023 -0.506 25755 557 1 3 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.516 -0.125 25755 558 1 3 . 1 1 9 9 GLU H H 9 9.072 9.072 8.457 0.615 25755 559 1 3 . 1 1 10 10 ASN N N 10 116.120 116.120 117.745 -1.625 25755 560 1 3 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.577 -0.139 25755 561 1 3 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.849 1.738 25755 562 1 3 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.295 -0.017 25755 563 1 3 . 1 1 10 10 ASN H H 10 9.301 9.301 7.886 1.415 25755 564 1 3 . 1 1 11 11 TYR N N 11 122.436 122.436 121.159 1.277 25755 565 1 3 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.608 -0.414 25755 566 1 3 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.472 2.140 25755 567 1 3 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.736 -2.269 25755 568 1 3 . 1 1 11 11 TYR H H 11 7.550 7.550 7.644 -0.094 25755 569 1 3 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.515 -0.068 25755 570 1 3 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.539 -0.041 25755 571 1 3 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.496 -1.905 25755 572 1 3 . 1 1 13 13 VAL N N 13 124.506 124.506 122.786 1.720 25755 573 1 3 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.729 0.107 25755 574 1 3 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.852 0.909 25755 575 1 3 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.312 0.268 25755 576 1 3 . 1 1 13 13 VAL H H 13 8.169 8.169 8.483 -0.314 25755 577 1 3 . 1 1 14 14 SER N N 14 116.625 116.625 117.017 -0.392 25755 578 1 3 . 1 1 14 14 SER HA H 14 4.206 4.206 4.380 -0.174 25755 579 1 3 . 1 1 14 14 SER CA C 14 61.194 61.194 62.298 -1.105 25755 580 1 3 . 1 1 14 14 SER CB C 14 62.041 62.041 62.712 -0.671 25755 581 1 3 . 1 1 14 14 SER H H 14 8.396 8.396 8.235 0.161 25755 582 1 3 . 1 1 15 15 LYS N N 15 120.843 120.843 121.620 -0.777 25755 583 1 3 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.013 0.187 25755 584 1 3 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.106 0.517 25755 585 1 3 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.024 0.162 25755 586 1 3 . 1 1 15 15 LYS H H 15 7.791 7.791 7.671 0.120 25755 587 1 3 . 1 1 16 16 CYS N N 16 115.949 115.949 117.860 -1.911 25755 588 1 3 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.475 0.418 25755 589 1 3 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.468 -4.898 25755 590 1 3 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.655 14.782 25755 591 1 3 . 1 1 16 16 CYS H H 16 7.870 7.870 7.509 0.361 25755 592 1 3 . 1 1 17 17 GLN N N 17 117.241 117.241 117.525 -0.284 25755 593 1 3 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.055 0.219 25755 594 1 3 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.543 -0.606 25755 595 1 3 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.629 0.558 25755 596 1 3 . 1 1 17 17 GLN H H 17 7.560 7.560 7.703 -0.143 25755 597 1 3 . 1 1 18 18 LEU N N 18 120.537 120.537 121.512 -0.975 25755 598 1 3 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.124 0.316 25755 599 1 3 . 1 1 18 18 LEU CA C 18 55.448 55.448 54.961 0.487 25755 600 1 3 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.889 0.949 25755 601 1 3 . 1 1 18 18 LEU H H 18 7.369 7.369 7.348 0.021 25755 602 1 3 . 1 1 19 19 ARG N N 19 121.697 121.697 120.973 0.724 25755 603 1 3 . 1 1 19 19 ARG HA H 19 4.299 4.299 3.967 0.332 25755 604 1 3 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.603 -0.767 25755 605 1 3 . 1 1 19 19 ARG CB C 19 30.392 30.392 29.925 0.467 25755 606 1 3 . 1 1 19 19 ARG H H 19 8.447 8.447 7.940 0.507 25755 607 1 3 . 1 1 20 20 ILE N N 20 116.439 116.439 118.972 -2.533 25755 608 1 3 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.044 0.090 25755 609 1 3 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.182 0.315 25755 610 1 3 . 1 1 20 20 ILE CB C 20 38.164 38.164 37.196 0.968 25755 611 1 3 . 1 1 20 20 ILE H H 20 7.758 7.758 7.886 -0.128 25755 612 1 3 . 1 1 21 21 ALA N N 21 122.642 122.642 123.218 -0.576 25755 613 1 3 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.483 -0.101 25755 614 1 3 . 1 1 21 21 ALA CA C 21 52.395 52.395 50.860 1.535 25755 615 1 3 . 1 1 21 21 ALA CB C 21 20.098 20.098 17.920 2.178 25755 616 1 3 . 1 1 21 21 ALA H H 21 7.727 7.727 7.870 -0.143 25755 617 1 3 . 1 1 22 22 ASN N N 22 116.616 116.616 120.851 -4.235 25755 618 1 3 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.791 -0.000 25755 619 1 3 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.793 0.084 25755 620 1 3 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.208 -0.654 25755 621 1 3 . 1 1 22 22 ASN H H 22 8.307 8.307 8.433 -0.126 25755 622 1 3 . 1 1 23 23 GLN N N 23 124.357 124.357 123.290 1.067 25755 623 1 3 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.264 -0.246 25755 624 1 3 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.651 0.997 25755 625 1 3 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.487 0.912 25755 626 1 3 . 1 1 23 23 GLN H H 23 8.542 8.542 8.200 0.342 25755 627 1 3 . 1 1 24 24 CYS N N 24 118.909 118.909 118.786 0.123 25755 628 1 3 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.973 0.311 25755 629 1 3 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.758 -4.352 25755 630 1 3 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.936 11.840 25755 631 1 3 . 1 1 24 24 CYS H H 24 8.352 8.352 8.752 -0.400 25755 632 1 3 . 1 1 25 25 ASN N N 25 118.182 118.182 119.153 -0.971 25755 633 1 3 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.276 -0.388 25755 634 1 3 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.540 1.132 25755 635 1 3 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.273 2.500 25755 636 1 3 . 1 1 25 25 ASN H H 25 7.504 7.504 8.454 -0.950 25755 637 1 3 . 1 1 26 26 TYR N N 26 117.354 117.354 119.342 -1.988 25755 638 1 3 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.192 -0.227 25755 639 1 3 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.255 0.907 25755 640 1 3 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.700 -0.070 25755 641 1 3 . 1 1 26 26 TYR H H 26 7.322 7.322 7.629 -0.307 25755 642 1 3 . 1 1 27 27 ASP N N 27 119.874 119.874 120.168 -0.294 25755 643 1 3 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.331 0.324 25755 644 1 3 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.812 -0.222 25755 645 1 3 . 1 1 27 27 ASP H H 27 9.218 9.218 8.183 1.035 25755 646 1 3 . 1 1 28 28 CYS N N 28 119.782 119.782 119.065 0.717 25755 647 1 3 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.874 0.294 25755 648 1 3 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.671 -1.757 25755 649 1 3 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.184 10.761 25755 650 1 3 . 1 1 28 28 CYS H H 28 9.171 9.171 8.328 0.843 25755 651 1 3 . 1 1 29 29 LYS N N 29 119.663 119.663 118.567 1.096 25755 652 1 3 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.889 0.248 25755 653 1 3 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.030 0.751 25755 654 1 3 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.708 0.705 25755 655 1 3 . 1 1 29 29 LYS H H 29 7.546 7.546 7.466 0.080 25755 656 1 3 . 1 1 30 30 LEU N N 30 119.987 119.987 120.222 -0.235 25755 657 1 3 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.765 0.346 25755 658 1 3 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.595 0.077 25755 659 1 3 . 1 1 30 30 LEU CB C 30 42.379 42.379 41.181 1.198 25755 660 1 3 . 1 1 30 30 LEU H H 30 8.226 8.226 7.546 0.680 25755 661 1 3 . 1 1 31 31 ASP N N 31 116.853 116.853 116.316 0.537 25755 662 1 3 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.654 -0.108 25755 663 1 3 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.602 0.664 25755 664 1 3 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.343 -0.865 25755 665 1 3 . 1 1 31 31 ASP H H 31 9.019 9.019 7.693 1.326 25755 666 1 3 . 1 1 32 32 LYS N N 32 112.075 112.075 118.422 -6.347 25755 667 1 3 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.114 0.435 25755 668 1 3 . 1 1 32 32 LYS CA C 32 53.465 53.465 58.034 -4.569 25755 669 1 3 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.603 -0.738 25755 670 1 3 . 1 1 32 32 LYS H H 32 6.639 6.639 8.265 -1.626 25755 671 1 3 . 1 1 33 33 HIS N N 33 112.955 112.955 114.280 -1.325 25755 672 1 3 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.162 0.461 25755 673 1 3 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.507 0.979 25755 674 1 3 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.315 -2.621 25755 675 1 3 . 1 1 33 33 HIS H H 33 7.065 7.065 8.108 -1.043 25755 676 1 3 . 1 1 34 34 ALA N N 34 120.177 120.177 119.173 1.004 25755 677 1 3 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.722 0.427 25755 678 1 3 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.424 -1.645 25755 679 1 3 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.716 -0.598 25755 680 1 3 . 1 1 34 34 ALA H H 34 7.716 7.716 7.136 0.580 25755 681 1 3 . 1 1 35 35 ARG N N 35 116.636 116.636 117.813 -1.177 25755 682 1 3 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.226 -0.020 25755 683 1 3 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.720 -1.644 25755 684 1 3 . 1 1 35 35 ARG CB C 35 30.717 30.717 31.078 -0.361 25755 685 1 3 . 1 1 35 35 ARG H H 35 8.295 8.295 8.103 0.192 25755 686 1 3 . 1 1 36 36 SER N N 36 109.273 109.273 112.307 -3.034 25755 687 1 3 . 1 1 36 36 SER HA H 36 4.646 4.646 4.471 0.175 25755 688 1 3 . 1 1 36 36 SER CA C 36 57.703 57.703 58.681 -0.978 25755 689 1 3 . 1 1 36 36 SER CB C 36 65.425 65.425 64.794 0.631 25755 690 1 3 . 1 1 36 36 SER H H 36 8.026 8.026 8.296 -0.270 25755 691 1 3 . 1 1 37 37 GLY N N 37 107.305 107.305 111.376 -4.071 25755 692 1 3 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.188 1.964 25755 693 1 3 . 1 1 37 37 GLY H H 37 8.679 8.679 8.125 0.554 25755 694 1 3 . 1 1 38 38 GLU N N 38 119.065 119.065 122.625 -3.560 25755 695 1 3 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.601 -0.199 25755 696 1 3 . 1 1 38 38 GLU CA C 38 55.773 55.773 55.394 0.379 25755 697 1 3 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.848 -2.026 25755 698 1 3 . 1 1 38 38 GLU H H 38 8.351 8.351 8.806 -0.455 25755 699 1 3 . 1 1 39 39 CYS N N 39 121.636 121.636 118.757 2.879 25755 700 1 3 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.255 0.732 25755 701 1 3 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.967 -1.239 25755 702 1 3 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.324 16.695 25755 703 1 3 . 1 1 39 39 CYS H H 39 8.839 8.839 8.295 0.544 25755 704 1 3 . 1 1 40 40 PHE N N 40 121.987 121.987 120.417 1.570 25755 705 1 3 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.798 -0.028 25755 706 1 3 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.544 0.425 25755 707 1 3 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.953 0.807 25755 708 1 3 . 1 1 40 40 PHE H H 40 9.214 9.214 8.787 0.427 25755 709 1 3 . 1 1 41 41 TYR N N 41 121.905 121.905 119.024 2.881 25755 710 1 3 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.643 0.317 25755 711 1 3 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.982 -0.450 25755 712 1 3 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.290 1.012 25755 713 1 3 . 1 1 41 41 TYR H H 41 8.557 8.557 8.671 -0.114 25755 714 1 3 . 1 1 42 42 ASP N N 42 123.133 123.133 121.288 1.845 25755 715 1 3 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.855 -0.102 25755 716 1 3 . 1 1 42 42 ASP CA C 42 52.426 52.426 53.028 -0.602 25755 717 1 3 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.725 -1.105 25755 718 1 3 . 1 1 42 42 ASP H H 42 8.603 8.603 7.982 0.621 25755 719 1 3 . 1 1 43 43 GLU N N 43 118.012 118.012 119.704 -1.692 25755 720 1 3 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.120 0.089 25755 721 1 3 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.795 0.070 25755 722 1 3 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.668 -0.430 25755 723 1 3 . 1 1 43 43 GLU H H 43 9.081 9.081 8.667 0.414 25755 724 1 3 . 1 1 44 44 LYS N N 44 120.047 120.047 117.340 2.707 25755 725 1 3 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.434 0.010 25755 726 1 3 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.535 0.126 25755 727 1 3 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.684 -0.645 25755 728 1 3 . 1 1 44 44 LYS H H 44 8.162 8.162 7.801 0.361 25755 729 1 3 . 1 1 45 45 ARG N N 45 113.453 113.453 115.596 -2.143 25755 730 1 3 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.043 -0.380 25755 731 1 3 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.857 0.879 25755 732 1 3 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.466 -1.076 25755 733 1 3 . 1 1 45 45 ARG H H 45 8.335 8.335 7.730 0.605 25755 734 1 3 . 1 1 46 46 ASN N N 46 118.207 118.207 116.611 1.596 25755 735 1 3 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.929 0.053 25755 736 1 3 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.358 0.708 25755 737 1 3 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.751 0.542 25755 738 1 3 . 1 1 46 46 ASN H H 46 8.745 8.745 8.232 0.513 25755 739 1 3 . 1 1 47 47 LEU N N 47 125.815 125.815 126.730 -0.915 25755 740 1 3 . 1 1 47 47 LEU HA H 47 4.279 4.279 3.999 0.280 25755 741 1 3 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.006 0.284 25755 742 1 3 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.429 1.877 25755 743 1 3 . 1 1 47 47 LEU H H 47 8.509 8.509 8.801 -0.292 25755 744 1 3 . 1 1 48 48 GLN N N 48 120.834 120.834 122.254 -1.420 25755 745 1 3 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.713 0.023 25755 746 1 3 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.659 0.446 25755 747 1 3 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.580 -0.714 25755 748 1 3 . 1 1 48 48 GLN H H 48 8.589 8.589 8.828 -0.239 25755 749 1 3 . 1 1 49 49 CYS N N 49 121.829 121.829 123.651 -1.822 25755 750 1 3 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.561 0.297 25755 751 1 3 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.976 -4.021 25755 752 1 3 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.592 12.853 25755 753 1 3 . 1 1 49 49 CYS H H 49 9.247 9.247 9.037 0.210 25755 754 1 3 . 1 1 50 50 ILE N N 50 129.010 129.010 130.154 -1.144 25755 755 1 3 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.461 -0.075 25755 756 1 3 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.993 -1.572 25755 757 1 3 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.067 -0.663 25755 758 1 3 . 1 1 50 50 ILE H H 50 8.787 8.787 7.952 0.835 25755 759 1 3 . 1 1 51 51 CYS N N 51 126.108 126.108 127.316 -1.208 25755 760 1 3 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.645 0.692 25755 761 1 3 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.521 -6.703 25755 762 1 3 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.793 6.189 25755 763 1 3 . 1 1 51 51 CYS H H 51 8.556 8.556 9.333 -0.777 25755 764 1 3 . 1 1 52 52 ASP N N 52 122.342 122.342 120.559 1.783 25755 765 1 3 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.857 0.656 25755 766 1 3 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.952 -1.369 25755 767 1 3 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.911 -0.080 25755 768 1 3 . 1 1 52 52 ASP H H 52 8.826 8.826 8.483 0.343 25755 769 1 3 . 1 1 53 53 TYR N N 53 125.370 125.370 123.904 1.466 25755 770 1 3 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.564 -0.306 25755 771 1 3 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.969 0.696 25755 772 1 3 . 1 1 53 53 TYR CB C 53 38.783 38.783 38.813 -0.030 25755 773 1 3 . 1 1 53 53 TYR H H 53 9.734 9.734 8.731 1.003 25755 774 1 3 . 1 1 54 54 CYS N N 54 120.418 120.418 120.929 -0.511 25755 775 1 3 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.466 0.028 25755 776 1 3 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.592 -4.449 25755 777 1 3 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.303 15.079 25755 778 1 3 . 1 1 54 54 CYS H H 54 9.478 9.478 8.885 0.593 25755 779 1 3 . 1 1 55 55 GLU N N 55 121.097 121.097 119.361 1.736 25755 780 1 3 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.609 -0.297 25755 781 1 3 . 1 1 55 55 GLU CA C 55 56.010 56.010 55.573 0.437 25755 782 1 3 . 1 1 55 55 GLU CB C 55 31.014 31.014 32.428 -1.414 25755 783 1 3 . 1 1 55 55 GLU H H 55 8.423 8.423 7.756 0.667 25755 784 1 4 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.802 -0.551 25755 785 1 4 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.167 5.317 25755 786 1 4 . 1 1 2 2 ASP CB C 2 39.412 39.412 39.508 -0.096 25755 787 1 4 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.465 -0.120 25755 788 1 4 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.148 1.408 25755 789 1 4 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.524 0.069 25755 790 1 4 . 1 1 4 4 CYS N N 4 117.049 117.049 118.937 -1.888 25755 791 1 4 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.920 -0.192 25755 792 1 4 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.304 0.111 25755 793 1 4 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.751 12.092 25755 794 1 4 . 1 1 4 4 CYS H H 4 8.486 8.486 7.994 0.492 25755 795 1 4 . 1 1 5 5 LYS N N 5 118.790 118.790 121.399 -2.609 25755 796 1 4 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.955 0.616 25755 797 1 4 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.799 -0.509 25755 798 1 4 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.918 -0.312 25755 799 1 4 . 1 1 5 5 LYS H H 5 8.007 8.007 8.253 -0.246 25755 800 1 4 . 1 1 6 6 LYS N N 6 121.177 121.177 120.360 0.817 25755 801 1 4 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.589 0.196 25755 802 1 4 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.918 -0.376 25755 803 1 4 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.538 1.364 25755 804 1 4 . 1 1 6 6 LYS H H 6 9.014 9.014 8.857 0.157 25755 805 1 4 . 1 1 7 7 VAL N N 7 127.629 127.629 124.369 3.260 25755 806 1 4 . 1 1 7 7 VAL HA H 7 4.026 4.026 3.998 0.028 25755 807 1 4 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.358 1.631 25755 808 1 4 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.656 0.451 25755 809 1 4 . 1 1 7 7 VAL H H 7 8.837 8.837 8.656 0.181 25755 810 1 4 . 1 1 8 8 TYR N N 8 130.003 130.003 129.577 0.426 25755 811 1 4 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.756 -0.297 25755 812 1 4 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.727 -0.007 25755 813 1 4 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.246 -2.228 25755 814 1 4 . 1 1 8 8 TYR H H 8 9.251 9.251 8.365 0.886 25755 815 1 4 . 1 1 9 9 GLU N N 9 130.851 130.851 125.163 5.688 25755 816 1 4 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.074 0.130 25755 817 1 4 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.452 0.065 25755 818 1 4 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.496 -0.105 25755 819 1 4 . 1 1 9 9 GLU H H 9 9.072 9.072 8.518 0.554 25755 820 1 4 . 1 1 10 10 ASN N N 10 116.120 116.120 117.183 -1.063 25755 821 1 4 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.601 -0.163 25755 822 1 4 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.868 1.719 25755 823 1 4 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.478 -0.200 25755 824 1 4 . 1 1 10 10 ASN H H 10 9.301 9.301 7.606 1.695 25755 825 1 4 . 1 1 11 11 TYR N N 11 122.436 122.436 120.642 1.794 25755 826 1 4 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.680 -0.486 25755 827 1 4 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.432 2.180 25755 828 1 4 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.877 -2.410 25755 829 1 4 . 1 1 11 11 TYR H H 11 7.550 7.550 7.494 0.056 25755 830 1 4 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.555 -0.108 25755 831 1 4 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.664 -0.166 25755 832 1 4 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.713 -2.122 25755 833 1 4 . 1 1 13 13 VAL N N 13 124.506 124.506 122.929 1.577 25755 834 1 4 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.741 0.095 25755 835 1 4 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.956 0.805 25755 836 1 4 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.630 -0.050 25755 837 1 4 . 1 1 13 13 VAL H H 13 8.169 8.169 8.402 -0.233 25755 838 1 4 . 1 1 14 14 SER N N 14 116.625 116.625 116.513 0.112 25755 839 1 4 . 1 1 14 14 SER HA H 14 4.206 4.206 4.331 -0.125 25755 840 1 4 . 1 1 14 14 SER CA C 14 61.194 61.194 61.594 -0.400 25755 841 1 4 . 1 1 14 14 SER CB C 14 62.041 62.041 62.751 -0.710 25755 842 1 4 . 1 1 14 14 SER H H 14 8.396 8.396 8.204 0.192 25755 843 1 4 . 1 1 15 15 LYS N N 15 120.843 120.843 121.808 -0.965 25755 844 1 4 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.015 0.185 25755 845 1 4 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.200 0.423 25755 846 1 4 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.075 0.111 25755 847 1 4 . 1 1 15 15 LYS H H 15 7.791 7.791 7.656 0.135 25755 848 1 4 . 1 1 16 16 CYS N N 16 115.949 115.949 117.510 -1.561 25755 849 1 4 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.479 0.414 25755 850 1 4 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.357 -4.787 25755 851 1 4 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.712 14.725 25755 852 1 4 . 1 1 16 16 CYS H H 16 7.870 7.870 7.507 0.363 25755 853 1 4 . 1 1 17 17 GLN N N 17 117.241 117.241 117.343 -0.102 25755 854 1 4 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.082 0.192 25755 855 1 4 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.246 -0.309 25755 856 1 4 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.648 0.538 25755 857 1 4 . 1 1 17 17 GLN H H 17 7.560 7.560 7.682 -0.122 25755 858 1 4 . 1 1 18 18 LEU N N 18 120.537 120.537 121.516 -0.979 25755 859 1 4 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.156 0.284 25755 860 1 4 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.108 0.340 25755 861 1 4 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.026 0.811 25755 862 1 4 . 1 1 18 18 LEU H H 18 7.369 7.369 7.468 -0.099 25755 863 1 4 . 1 1 19 19 ARG N N 19 121.697 121.697 123.503 -1.806 25755 864 1 4 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.035 0.264 25755 865 1 4 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.762 -0.926 25755 866 1 4 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.178 0.214 25755 867 1 4 . 1 1 19 19 ARG H H 19 8.447 8.447 8.026 0.421 25755 868 1 4 . 1 1 20 20 ILE N N 20 116.439 116.439 116.275 0.164 25755 869 1 4 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.061 0.073 25755 870 1 4 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.346 0.151 25755 871 1 4 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.181 -0.017 25755 872 1 4 . 1 1 20 20 ILE H H 20 7.758 7.758 7.746 0.012 25755 873 1 4 . 1 1 21 21 ALA N N 21 122.642 122.642 122.855 -0.213 25755 874 1 4 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.570 -0.188 25755 875 1 4 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.656 0.739 25755 876 1 4 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.801 0.297 25755 877 1 4 . 1 1 21 21 ALA H H 21 7.727 7.727 7.343 0.384 25755 878 1 4 . 1 1 22 22 ASN N N 22 116.616 116.616 121.967 -5.351 25755 879 1 4 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.895 -0.104 25755 880 1 4 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.388 0.489 25755 881 1 4 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.022 -0.468 25755 882 1 4 . 1 1 22 22 ASN H H 22 8.307 8.307 8.546 -0.239 25755 883 1 4 . 1 1 23 23 GLN N N 23 124.357 124.357 123.246 1.111 25755 884 1 4 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.325 -0.307 25755 885 1 4 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.890 0.758 25755 886 1 4 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.806 0.593 25755 887 1 4 . 1 1 23 23 GLN H H 23 8.542 8.542 8.199 0.343 25755 888 1 4 . 1 1 24 24 CYS N N 24 118.909 118.909 119.469 -0.560 25755 889 1 4 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.001 0.283 25755 890 1 4 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.617 -4.211 25755 891 1 4 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.856 11.920 25755 892 1 4 . 1 1 24 24 CYS H H 24 8.352 8.352 8.611 -0.259 25755 893 1 4 . 1 1 25 25 ASN N N 25 118.182 118.182 119.877 -1.695 25755 894 1 4 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.281 -0.393 25755 895 1 4 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.722 0.950 25755 896 1 4 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.200 2.573 25755 897 1 4 . 1 1 25 25 ASN H H 25 7.504 7.504 8.500 -0.996 25755 898 1 4 . 1 1 26 26 TYR N N 26 117.354 117.354 120.346 -2.992 25755 899 1 4 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.137 -0.172 25755 900 1 4 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.981 0.181 25755 901 1 4 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.843 -0.213 25755 902 1 4 . 1 1 26 26 TYR H H 26 7.322 7.322 7.543 -0.221 25755 903 1 4 . 1 1 27 27 ASP N N 27 119.874 119.874 119.929 -0.055 25755 904 1 4 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.364 0.291 25755 905 1 4 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.750 -0.160 25755 906 1 4 . 1 1 27 27 ASP H H 27 9.218 9.218 8.222 0.996 25755 907 1 4 . 1 1 28 28 CYS N N 28 119.782 119.782 119.086 0.696 25755 908 1 4 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.892 0.277 25755 909 1 4 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.652 -1.738 25755 910 1 4 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.194 10.751 25755 911 1 4 . 1 1 28 28 CYS H H 28 9.171 9.171 8.390 0.781 25755 912 1 4 . 1 1 29 29 LYS N N 29 119.663 119.663 119.004 0.659 25755 913 1 4 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.863 0.274 25755 914 1 4 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.954 0.827 25755 915 1 4 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.761 0.652 25755 916 1 4 . 1 1 29 29 LYS H H 29 7.546 7.546 7.434 0.112 25755 917 1 4 . 1 1 30 30 LEU N N 30 119.987 119.987 120.447 -0.460 25755 918 1 4 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.817 0.294 25755 919 1 4 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.618 0.054 25755 920 1 4 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.167 0.212 25755 921 1 4 . 1 1 30 30 LEU H H 30 8.226 8.226 7.558 0.668 25755 922 1 4 . 1 1 31 31 ASP N N 31 116.853 116.853 116.350 0.503 25755 923 1 4 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.684 -0.138 25755 924 1 4 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.533 0.733 25755 925 1 4 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.415 -0.937 25755 926 1 4 . 1 1 31 31 ASP H H 31 9.019 9.019 7.861 1.158 25755 927 1 4 . 1 1 32 32 LYS N N 32 112.075 112.075 118.546 -6.471 25755 928 1 4 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.141 0.408 25755 929 1 4 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.828 -4.363 25755 930 1 4 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.582 -0.717 25755 931 1 4 . 1 1 32 32 LYS H H 32 6.639 6.639 8.322 -1.683 25755 932 1 4 . 1 1 33 33 HIS N N 33 112.955 112.955 114.311 -1.356 25755 933 1 4 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.172 0.451 25755 934 1 4 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.865 0.620 25755 935 1 4 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.132 -2.438 25755 936 1 4 . 1 1 33 33 HIS H H 33 7.065 7.065 8.048 -0.983 25755 937 1 4 . 1 1 34 34 ALA N N 34 120.177 120.177 119.211 0.966 25755 938 1 4 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.835 0.314 25755 939 1 4 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.234 -1.456 25755 940 1 4 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.684 -0.566 25755 941 1 4 . 1 1 34 34 ALA H H 34 7.716 7.716 7.128 0.588 25755 942 1 4 . 1 1 35 35 ARG N N 35 116.636 116.636 117.197 -0.561 25755 943 1 4 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.129 0.077 25755 944 1 4 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.255 -0.179 25755 945 1 4 . 1 1 35 35 ARG CB C 35 30.717 30.717 29.839 0.878 25755 946 1 4 . 1 1 35 35 ARG H H 35 8.295 8.295 8.132 0.163 25755 947 1 4 . 1 1 36 36 SER N N 36 109.273 109.273 110.710 -1.437 25755 948 1 4 . 1 1 36 36 SER HA H 36 4.646 4.646 4.466 0.180 25755 949 1 4 . 1 1 36 36 SER CA C 36 57.703 57.703 58.623 -0.920 25755 950 1 4 . 1 1 36 36 SER CB C 36 65.425 65.425 65.492 -0.067 25755 951 1 4 . 1 1 36 36 SER H H 36 8.026 8.026 8.073 -0.047 25755 952 1 4 . 1 1 37 37 GLY N N 37 107.305 107.305 109.727 -2.422 25755 953 1 4 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.857 2.295 25755 954 1 4 . 1 1 37 37 GLY H H 37 8.679 8.679 7.807 0.872 25755 955 1 4 . 1 1 38 38 GLU N N 38 119.065 119.065 121.874 -2.809 25755 956 1 4 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.584 -0.182 25755 957 1 4 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.772 1.001 25755 958 1 4 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.988 -2.166 25755 959 1 4 . 1 1 38 38 GLU H H 38 8.351 8.351 8.942 -0.591 25755 960 1 4 . 1 1 39 39 CYS N N 39 121.636 121.636 118.516 3.120 25755 961 1 4 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.299 0.688 25755 962 1 4 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.759 -1.031 25755 963 1 4 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.453 16.566 25755 964 1 4 . 1 1 39 39 CYS H H 39 8.839 8.839 8.319 0.520 25755 965 1 4 . 1 1 40 40 PHE N N 40 121.987 121.987 120.308 1.679 25755 966 1 4 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.811 -0.041 25755 967 1 4 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.566 0.403 25755 968 1 4 . 1 1 40 40 PHE CB C 40 43.760 43.760 43.004 0.756 25755 969 1 4 . 1 1 40 40 PHE H H 40 9.214 9.214 8.846 0.368 25755 970 1 4 . 1 1 41 41 TYR N N 41 121.905 121.905 118.550 3.355 25755 971 1 4 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.688 0.272 25755 972 1 4 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.074 -0.542 25755 973 1 4 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.340 0.962 25755 974 1 4 . 1 1 41 41 TYR H H 41 8.557 8.557 8.724 -0.167 25755 975 1 4 . 1 1 42 42 ASP N N 42 123.133 123.133 121.296 1.837 25755 976 1 4 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.856 -0.103 25755 977 1 4 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.602 -0.176 25755 978 1 4 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.902 -1.282 25755 979 1 4 . 1 1 42 42 ASP H H 42 8.603 8.603 8.426 0.177 25755 980 1 4 . 1 1 43 43 GLU N N 43 118.012 118.012 119.023 -1.011 25755 981 1 4 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.158 0.051 25755 982 1 4 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.672 0.193 25755 983 1 4 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.658 -0.421 25755 984 1 4 . 1 1 43 43 GLU H H 43 9.081 9.081 8.751 0.330 25755 985 1 4 . 1 1 44 44 LYS N N 44 120.047 120.047 117.031 3.016 25755 986 1 4 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.386 0.058 25755 987 1 4 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.572 0.089 25755 988 1 4 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.462 -0.423 25755 989 1 4 . 1 1 44 44 LYS H H 44 8.162 8.162 8.062 0.100 25755 990 1 4 . 1 1 45 45 ARG N N 45 113.453 113.453 116.053 -2.600 25755 991 1 4 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.108 -0.445 25755 992 1 4 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.520 1.216 25755 993 1 4 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.260 -0.870 25755 994 1 4 . 1 1 45 45 ARG H H 45 8.335 8.335 7.788 0.547 25755 995 1 4 . 1 1 46 46 ASN N N 46 118.207 118.207 117.295 0.912 25755 996 1 4 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.950 0.032 25755 997 1 4 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.916 1.151 25755 998 1 4 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.977 0.316 25755 999 1 4 . 1 1 46 46 ASN H H 46 8.745 8.745 8.283 0.462 25755 1000 1 4 . 1 1 47 47 LEU N N 47 125.815 125.815 127.316 -1.501 25755 1001 1 4 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.108 0.171 25755 1002 1 4 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.973 0.317 25755 1003 1 4 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.658 1.648 25755 1004 1 4 . 1 1 47 47 LEU H H 47 8.509 8.509 8.906 -0.397 25755 1005 1 4 . 1 1 48 48 GLN N N 48 120.834 120.834 122.298 -1.464 25755 1006 1 4 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.690 0.046 25755 1007 1 4 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.945 0.160 25755 1008 1 4 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.446 -0.580 25755 1009 1 4 . 1 1 48 48 GLN H H 48 8.589 8.589 8.996 -0.407 25755 1010 1 4 . 1 1 49 49 CYS N N 49 121.829 121.829 123.191 -1.362 25755 1011 1 4 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.570 0.288 25755 1012 1 4 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.244 -4.289 25755 1013 1 4 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.717 12.728 25755 1014 1 4 . 1 1 49 49 CYS H H 49 9.247 9.247 8.935 0.312 25755 1015 1 4 . 1 1 50 50 ILE N N 50 129.010 129.010 130.380 -1.370 25755 1016 1 4 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.488 -0.102 25755 1017 1 4 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.778 -1.357 25755 1018 1 4 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.278 -0.874 25755 1019 1 4 . 1 1 50 50 ILE H H 50 8.787 8.787 8.396 0.391 25755 1020 1 4 . 1 1 51 51 CYS N N 51 126.108 126.108 127.879 -1.771 25755 1021 1 4 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.685 0.652 25755 1022 1 4 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.170 -6.352 25755 1023 1 4 . 1 1 51 51 CYS CB C 51 35.982 35.982 30.119 5.863 25755 1024 1 4 . 1 1 51 51 CYS H H 51 8.556 8.556 9.180 -0.624 25755 1025 1 4 . 1 1 52 52 ASP N N 52 122.342 122.342 120.887 1.455 25755 1026 1 4 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.978 0.535 25755 1027 1 4 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.715 -1.132 25755 1028 1 4 . 1 1 52 52 ASP CB C 52 42.831 42.831 41.711 1.120 25755 1029 1 4 . 1 1 52 52 ASP H H 52 8.826 8.826 8.594 0.232 25755 1030 1 4 . 1 1 53 53 TYR N N 53 125.370 125.370 122.637 2.733 25755 1031 1 4 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.614 -0.356 25755 1032 1 4 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.319 0.346 25755 1033 1 4 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.384 -0.601 25755 1034 1 4 . 1 1 53 53 TYR H H 53 9.734 9.734 8.718 1.016 25755 1035 1 4 . 1 1 54 54 CYS N N 54 120.418 120.418 120.947 -0.529 25755 1036 1 4 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.462 0.032 25755 1037 1 4 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.627 -4.484 25755 1038 1 4 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.706 15.677 25755 1039 1 4 . 1 1 54 54 CYS H H 54 9.478 9.478 8.917 0.561 25755 1040 1 4 . 1 1 55 55 GLU N N 55 121.097 121.097 118.733 2.364 25755 1041 1 4 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.109 0.203 25755 1042 1 4 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.290 -1.280 25755 1043 1 4 . 1 1 55 55 GLU CB C 55 31.014 31.014 29.821 1.193 25755 1044 1 4 . 1 1 55 55 GLU H H 55 8.423 8.423 8.227 0.196 25755 1045 1 5 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.374 -0.123 25755 1046 1 5 . 1 1 2 2 ASP CA C 2 59.484 59.484 55.391 4.093 25755 1047 1 5 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.268 -0.856 25755 1048 1 5 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.364 -0.019 25755 1049 1 5 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.722 0.834 25755 1050 1 5 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.968 -0.375 25755 1051 1 5 . 1 1 4 4 CYS N N 4 117.049 117.049 118.426 -1.377 25755 1052 1 5 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.919 -0.191 25755 1053 1 5 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.596 0.819 25755 1054 1 5 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.245 12.598 25755 1055 1 5 . 1 1 4 4 CYS H H 4 8.486 8.486 8.043 0.443 25755 1056 1 5 . 1 1 5 5 LYS N N 5 118.790 118.790 121.197 -2.407 25755 1057 1 5 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.849 0.722 25755 1058 1 5 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.755 -0.465 25755 1059 1 5 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.949 -0.343 25755 1060 1 5 . 1 1 5 5 LYS H H 5 8.007 8.007 8.218 -0.211 25755 1061 1 5 . 1 1 6 6 LYS N N 6 121.177 121.177 120.408 0.769 25755 1062 1 5 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.530 0.255 25755 1063 1 5 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.067 -0.525 25755 1064 1 5 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.729 1.173 25755 1065 1 5 . 1 1 6 6 LYS H H 6 9.014 9.014 8.692 0.322 25755 1066 1 5 . 1 1 7 7 VAL N N 7 127.629 127.629 125.161 2.468 25755 1067 1 5 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.213 -0.187 25755 1068 1 5 . 1 1 7 7 VAL CA C 7 63.988 63.988 61.501 2.487 25755 1069 1 5 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.596 0.510 25755 1070 1 5 . 1 1 7 7 VAL H H 7 8.837 8.837 8.577 0.260 25755 1071 1 5 . 1 1 8 8 TYR N N 8 130.003 130.003 130.036 -0.033 25755 1072 1 5 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.754 -0.295 25755 1073 1 5 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.750 -0.030 25755 1074 1 5 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.356 -2.338 25755 1075 1 5 . 1 1 8 8 TYR H H 8 9.251 9.251 8.377 0.874 25755 1076 1 5 . 1 1 9 9 GLU N N 9 130.851 130.851 124.948 5.903 25755 1077 1 5 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.282 -0.078 25755 1078 1 5 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.395 0.122 25755 1079 1 5 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.568 -0.177 25755 1080 1 5 . 1 1 9 9 GLU H H 9 9.072 9.072 8.366 0.706 25755 1081 1 5 . 1 1 10 10 ASN N N 10 116.120 116.120 117.484 -1.364 25755 1082 1 5 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.599 -0.161 25755 1083 1 5 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.621 1.966 25755 1084 1 5 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.008 0.270 25755 1085 1 5 . 1 1 10 10 ASN H H 10 9.301 9.301 7.606 1.695 25755 1086 1 5 . 1 1 11 11 TYR N N 11 122.436 122.436 120.216 2.220 25755 1087 1 5 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.632 -0.438 25755 1088 1 5 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.709 1.903 25755 1089 1 5 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.965 -2.498 25755 1090 1 5 . 1 1 11 11 TYR H H 11 7.550 7.550 7.376 0.174 25755 1091 1 5 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.589 -0.142 25755 1092 1 5 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.632 -0.134 25755 1093 1 5 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.937 -2.346 25755 1094 1 5 . 1 1 13 13 VAL N N 13 124.506 124.506 120.964 3.542 25755 1095 1 5 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.781 0.055 25755 1096 1 5 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.784 0.977 25755 1097 1 5 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.733 -0.153 25755 1098 1 5 . 1 1 13 13 VAL H H 13 8.169 8.169 8.399 -0.230 25755 1099 1 5 . 1 1 14 14 SER N N 14 116.625 116.625 117.465 -0.840 25755 1100 1 5 . 1 1 14 14 SER HA H 14 4.206 4.206 4.399 -0.193 25755 1101 1 5 . 1 1 14 14 SER CA C 14 61.194 61.194 61.985 -0.791 25755 1102 1 5 . 1 1 14 14 SER CB C 14 62.041 62.041 62.881 -0.840 25755 1103 1 5 . 1 1 14 14 SER H H 14 8.396 8.396 8.199 0.197 25755 1104 1 5 . 1 1 15 15 LYS N N 15 120.843 120.843 121.376 -0.533 25755 1105 1 5 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.049 0.151 25755 1106 1 5 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.123 0.500 25755 1107 1 5 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.111 0.075 25755 1108 1 5 . 1 1 15 15 LYS H H 15 7.791 7.791 8.013 -0.222 25755 1109 1 5 . 1 1 16 16 CYS N N 16 115.949 115.949 117.249 -1.300 25755 1110 1 5 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.344 0.549 25755 1111 1 5 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.112 -4.542 25755 1112 1 5 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.706 14.731 25755 1113 1 5 . 1 1 16 16 CYS H H 16 7.870 7.870 7.556 0.314 25755 1114 1 5 . 1 1 17 17 GLN N N 17 117.241 117.241 117.321 -0.080 25755 1115 1 5 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.095 0.179 25755 1116 1 5 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.176 -0.239 25755 1117 1 5 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.648 0.539 25755 1118 1 5 . 1 1 17 17 GLN H H 17 7.560 7.560 7.629 -0.069 25755 1119 1 5 . 1 1 18 18 LEU N N 18 120.537 120.537 121.209 -0.672 25755 1120 1 5 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.132 0.308 25755 1121 1 5 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.398 0.051 25755 1122 1 5 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.066 0.770 25755 1123 1 5 . 1 1 18 18 LEU H H 18 7.369 7.369 7.359 0.010 25755 1124 1 5 . 1 1 19 19 ARG N N 19 121.697 121.697 122.585 -0.888 25755 1125 1 5 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.061 0.238 25755 1126 1 5 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.498 -0.662 25755 1127 1 5 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.213 0.179 25755 1128 1 5 . 1 1 19 19 ARG H H 19 8.447 8.447 8.024 0.423 25755 1129 1 5 . 1 1 20 20 ILE N N 20 116.439 116.439 116.685 -0.246 25755 1130 1 5 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.057 0.077 25755 1131 1 5 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.384 0.113 25755 1132 1 5 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.163 0.001 25755 1133 1 5 . 1 1 20 20 ILE H H 20 7.758 7.758 7.747 0.011 25755 1134 1 5 . 1 1 21 21 ALA N N 21 122.642 122.642 122.969 -0.327 25755 1135 1 5 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.537 -0.155 25755 1136 1 5 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.572 0.823 25755 1137 1 5 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.690 0.408 25755 1138 1 5 . 1 1 21 21 ALA H H 21 7.727 7.727 7.241 0.486 25755 1139 1 5 . 1 1 22 22 ASN N N 22 116.616 116.616 121.799 -5.183 25755 1140 1 5 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.877 -0.086 25755 1141 1 5 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.532 0.345 25755 1142 1 5 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.093 -0.539 25755 1143 1 5 . 1 1 22 22 ASN H H 22 8.307 8.307 8.517 -0.210 25755 1144 1 5 . 1 1 23 23 GLN N N 23 124.357 124.357 123.316 1.041 25755 1145 1 5 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.347 -0.329 25755 1146 1 5 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.253 1.395 25755 1147 1 5 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.617 0.782 25755 1148 1 5 . 1 1 23 23 GLN H H 23 8.542 8.542 8.214 0.328 25755 1149 1 5 . 1 1 24 24 CYS N N 24 118.909 118.909 118.577 0.332 25755 1150 1 5 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.974 0.310 25755 1151 1 5 . 1 1 24 24 CYS CA C 24 58.406 58.406 63.475 -5.069 25755 1152 1 5 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.727 12.049 25755 1153 1 5 . 1 1 24 24 CYS H H 24 8.352 8.352 8.680 -0.328 25755 1154 1 5 . 1 1 25 25 ASN N N 25 118.182 118.182 117.868 0.314 25755 1155 1 5 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.320 -0.432 25755 1156 1 5 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.478 1.194 25755 1157 1 5 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.406 2.367 25755 1158 1 5 . 1 1 25 25 ASN H H 25 7.504 7.504 8.552 -1.048 25755 1159 1 5 . 1 1 26 26 TYR N N 26 117.354 117.354 119.339 -1.985 25755 1160 1 5 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.200 -0.235 25755 1161 1 5 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.445 0.717 25755 1162 1 5 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.739 -0.109 25755 1163 1 5 . 1 1 26 26 TYR H H 26 7.322 7.322 7.671 -0.349 25755 1164 1 5 . 1 1 27 27 ASP N N 27 119.874 119.874 120.136 -0.262 25755 1165 1 5 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.360 0.295 25755 1166 1 5 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.868 -0.278 25755 1167 1 5 . 1 1 27 27 ASP H H 27 9.218 9.218 8.140 1.078 25755 1168 1 5 . 1 1 28 28 CYS N N 28 119.782 119.782 119.129 0.653 25755 1169 1 5 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.909 0.259 25755 1170 1 5 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.738 -1.824 25755 1171 1 5 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.200 10.745 25755 1172 1 5 . 1 1 28 28 CYS H H 28 9.171 9.171 8.242 0.929 25755 1173 1 5 . 1 1 29 29 LYS N N 29 119.663 119.663 118.961 0.702 25755 1174 1 5 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.917 0.220 25755 1175 1 5 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.082 0.699 25755 1176 1 5 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.789 0.624 25755 1177 1 5 . 1 1 29 29 LYS H H 29 7.546 7.546 7.476 0.070 25755 1178 1 5 . 1 1 30 30 LEU N N 30 119.987 119.987 120.835 -0.848 25755 1179 1 5 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.833 0.278 25755 1180 1 5 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.870 -0.198 25755 1181 1 5 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.141 0.238 25755 1182 1 5 . 1 1 30 30 LEU H H 30 8.226 8.226 7.598 0.628 25755 1183 1 5 . 1 1 31 31 ASP N N 31 116.853 116.853 116.362 0.491 25755 1184 1 5 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.553 -0.007 25755 1185 1 5 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.367 0.899 25755 1186 1 5 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.190 -0.712 25755 1187 1 5 . 1 1 31 31 ASP H H 31 9.019 9.019 7.798 1.221 25755 1188 1 5 . 1 1 32 32 LYS N N 32 112.075 112.075 118.684 -6.609 25755 1189 1 5 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.181 0.368 25755 1190 1 5 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.566 -4.101 25755 1191 1 5 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.685 -0.820 25755 1192 1 5 . 1 1 32 32 LYS H H 32 6.639 6.639 8.222 -1.583 25755 1193 1 5 . 1 1 33 33 HIS N N 33 112.955 112.955 115.229 -2.274 25755 1194 1 5 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.105 0.518 25755 1195 1 5 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.508 0.978 25755 1196 1 5 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.369 -2.675 25755 1197 1 5 . 1 1 33 33 HIS H H 33 7.065 7.065 8.085 -1.020 25755 1198 1 5 . 1 1 34 34 ALA N N 34 120.177 120.177 119.528 0.649 25755 1199 1 5 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.741 0.408 25755 1200 1 5 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.356 -1.577 25755 1201 1 5 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.506 -0.388 25755 1202 1 5 . 1 1 34 34 ALA H H 34 7.716 7.716 7.069 0.647 25755 1203 1 5 . 1 1 35 35 ARG N N 35 116.636 116.636 117.863 -1.227 25755 1204 1 5 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.105 0.101 25755 1205 1 5 . 1 1 35 35 ARG CA C 35 58.076 58.076 57.999 0.077 25755 1206 1 5 . 1 1 35 35 ARG CB C 35 30.717 30.717 29.953 0.764 25755 1207 1 5 . 1 1 35 35 ARG H H 35 8.295 8.295 8.062 0.233 25755 1208 1 5 . 1 1 36 36 SER N N 36 109.273 109.273 111.865 -2.592 25755 1209 1 5 . 1 1 36 36 SER HA H 36 4.646 4.646 4.454 0.193 25755 1210 1 5 . 1 1 36 36 SER CA C 36 57.703 57.703 58.080 -0.377 25755 1211 1 5 . 1 1 36 36 SER CB C 36 65.425 65.425 65.257 0.168 25755 1212 1 5 . 1 1 36 36 SER H H 36 8.026 8.026 7.775 0.251 25755 1213 1 5 . 1 1 37 37 GLY N N 37 107.305 107.305 110.469 -3.164 25755 1214 1 5 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.738 2.414 25755 1215 1 5 . 1 1 37 37 GLY H H 37 8.679 8.679 7.832 0.847 25755 1216 1 5 . 1 1 38 38 GLU N N 38 119.065 119.065 122.236 -3.171 25755 1217 1 5 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.554 -0.152 25755 1218 1 5 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.777 0.996 25755 1219 1 5 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.972 -2.150 25755 1220 1 5 . 1 1 38 38 GLU H H 38 8.351 8.351 8.817 -0.466 25755 1221 1 5 . 1 1 39 39 CYS N N 39 121.636 121.636 117.990 3.646 25755 1222 1 5 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.267 0.720 25755 1223 1 5 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.446 -0.718 25755 1224 1 5 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.252 16.767 25755 1225 1 5 . 1 1 39 39 CYS H H 39 8.839 8.839 8.254 0.585 25755 1226 1 5 . 1 1 40 40 PHE N N 40 121.987 121.987 120.860 1.127 25755 1227 1 5 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.862 -0.092 25755 1228 1 5 . 1 1 40 40 PHE CA C 40 56.969 56.969 55.921 1.048 25755 1229 1 5 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.794 0.966 25755 1230 1 5 . 1 1 40 40 PHE H H 40 9.214 9.214 8.815 0.399 25755 1231 1 5 . 1 1 41 41 TYR N N 41 121.905 121.905 119.585 2.320 25755 1232 1 5 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.730 0.230 25755 1233 1 5 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.876 -0.344 25755 1234 1 5 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.240 1.062 25755 1235 1 5 . 1 1 41 41 TYR H H 41 8.557 8.557 8.776 -0.219 25755 1236 1 5 . 1 1 42 42 ASP N N 42 123.133 123.133 121.207 1.926 25755 1237 1 5 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.845 -0.092 25755 1238 1 5 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.123 0.303 25755 1239 1 5 . 1 1 42 42 ASP CB C 42 41.620 41.620 41.940 -0.320 25755 1240 1 5 . 1 1 42 42 ASP H H 42 8.603 8.603 8.512 0.091 25755 1241 1 5 . 1 1 43 43 GLU N N 43 118.012 118.012 116.858 1.154 25755 1242 1 5 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.078 0.131 25755 1243 1 5 . 1 1 43 43 GLU CA C 43 58.865 58.865 59.008 -0.143 25755 1244 1 5 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.196 0.041 25755 1245 1 5 . 1 1 43 43 GLU H H 43 9.081 9.081 8.739 0.342 25755 1246 1 5 . 1 1 44 44 LYS N N 44 120.047 120.047 118.151 1.896 25755 1247 1 5 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.366 0.078 25755 1248 1 5 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.115 0.546 25755 1249 1 5 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.672 -0.632 25755 1250 1 5 . 1 1 44 44 LYS H H 44 8.162 8.162 8.121 0.041 25755 1251 1 5 . 1 1 45 45 ARG N N 45 113.453 113.453 115.415 -1.962 25755 1252 1 5 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.086 -0.423 25755 1253 1 5 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.777 0.959 25755 1254 1 5 . 1 1 45 45 ARG CB C 45 26.390 26.390 26.731 -0.341 25755 1255 1 5 . 1 1 45 45 ARG H H 45 8.335 8.335 8.217 0.118 25755 1256 1 5 . 1 1 46 46 ASN N N 46 118.207 118.207 117.780 0.427 25755 1257 1 5 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.024 -0.042 25755 1258 1 5 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.633 1.433 25755 1259 1 5 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.954 -0.661 25755 1260 1 5 . 1 1 46 46 ASN H H 46 8.745 8.745 9.009 -0.264 25755 1261 1 5 . 1 1 47 47 LEU N N 47 125.815 125.815 126.347 -0.532 25755 1262 1 5 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.058 0.221 25755 1263 1 5 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.166 0.124 25755 1264 1 5 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.736 1.570 25755 1265 1 5 . 1 1 47 47 LEU H H 47 8.509 8.509 8.752 -0.243 25755 1266 1 5 . 1 1 48 48 GLN N N 48 120.834 120.834 121.581 -0.747 25755 1267 1 5 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.656 0.080 25755 1268 1 5 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.779 0.326 25755 1269 1 5 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.679 -0.813 25755 1270 1 5 . 1 1 48 48 GLN H H 48 8.589 8.589 8.989 -0.400 25755 1271 1 5 . 1 1 49 49 CYS N N 49 121.829 121.829 122.645 -0.816 25755 1272 1 5 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.466 0.392 25755 1273 1 5 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.303 -4.348 25755 1274 1 5 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.557 12.888 25755 1275 1 5 . 1 1 49 49 CYS H H 49 9.247 9.247 9.012 0.235 25755 1276 1 5 . 1 1 50 50 ILE N N 50 129.010 129.010 129.398 -0.388 25755 1277 1 5 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.430 -0.044 25755 1278 1 5 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.962 -1.541 25755 1279 1 5 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.862 -0.458 25755 1280 1 5 . 1 1 50 50 ILE H H 50 8.787 8.787 7.976 0.811 25755 1281 1 5 . 1 1 51 51 CYS N N 51 126.108 126.108 126.987 -0.879 25755 1282 1 5 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.630 0.707 25755 1283 1 5 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.455 -6.637 25755 1284 1 5 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.787 6.195 25755 1285 1 5 . 1 1 51 51 CYS H H 51 8.556 8.556 9.323 -0.767 25755 1286 1 5 . 1 1 52 52 ASP N N 52 122.342 122.342 119.859 2.483 25755 1287 1 5 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.852 0.661 25755 1288 1 5 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.402 -0.819 25755 1289 1 5 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.513 0.318 25755 1290 1 5 . 1 1 52 52 ASP H H 52 8.826 8.826 8.449 0.377 25755 1291 1 5 . 1 1 53 53 TYR N N 53 125.370 125.370 123.462 1.908 25755 1292 1 5 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.661 -0.403 25755 1293 1 5 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.823 0.842 25755 1294 1 5 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.445 -0.662 25755 1295 1 5 . 1 1 53 53 TYR H H 53 9.734 9.734 8.666 1.068 25755 1296 1 5 . 1 1 54 54 CYS N N 54 120.418 120.418 121.369 -0.951 25755 1297 1 5 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.486 0.008 25755 1298 1 5 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.698 -4.555 25755 1299 1 5 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.719 15.663 25755 1300 1 5 . 1 1 54 54 CYS H H 54 9.478 9.478 8.845 0.633 25755 1301 1 5 . 1 1 55 55 GLU N N 55 121.097 121.097 120.386 0.711 25755 1302 1 5 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.526 -0.214 25755 1303 1 5 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.351 -1.341 25755 1304 1 5 . 1 1 55 55 GLU CB C 55 31.014 31.014 30.675 0.339 25755 1305 1 5 . 1 1 55 55 GLU H H 55 8.423 8.423 8.220 0.203 25755 1306 1 6 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.801 -0.550 25755 1307 1 6 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.208 5.276 25755 1308 1 6 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.902 -1.490 25755 1309 1 6 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.363 -0.018 25755 1310 1 6 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.343 1.213 25755 1311 1 6 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.221 0.372 25755 1312 1 6 . 1 1 4 4 CYS N N 4 117.049 117.049 118.073 -1.024 25755 1313 1 6 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.871 -0.143 25755 1314 1 6 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.842 0.573 25755 1315 1 6 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.681 12.162 25755 1316 1 6 . 1 1 4 4 CYS H H 4 8.486 8.486 7.749 0.737 25755 1317 1 6 . 1 1 5 5 LYS N N 5 118.790 118.790 121.218 -2.428 25755 1318 1 6 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.851 0.720 25755 1319 1 6 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.735 -0.445 25755 1320 1 6 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.000 -0.394 25755 1321 1 6 . 1 1 5 5 LYS H H 5 8.007 8.007 8.237 -0.230 25755 1322 1 6 . 1 1 6 6 LYS N N 6 121.177 121.177 120.610 0.567 25755 1323 1 6 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.561 0.224 25755 1324 1 6 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.024 -0.482 25755 1325 1 6 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.487 1.415 25755 1326 1 6 . 1 1 6 6 LYS H H 6 9.014 9.014 8.816 0.198 25755 1327 1 6 . 1 1 7 7 VAL N N 7 127.629 127.629 124.502 3.127 25755 1328 1 6 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.014 0.012 25755 1329 1 6 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.480 1.508 25755 1330 1 6 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.082 1.025 25755 1331 1 6 . 1 1 7 7 VAL H H 7 8.837 8.837 8.574 0.263 25755 1332 1 6 . 1 1 8 8 TYR N N 8 130.003 130.003 129.270 0.733 25755 1333 1 6 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.698 -0.239 25755 1334 1 6 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.366 0.354 25755 1335 1 6 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.028 -2.010 25755 1336 1 6 . 1 1 8 8 TYR H H 8 9.251 9.251 8.190 1.061 25755 1337 1 6 . 1 1 9 9 GLU N N 9 130.851 130.851 124.873 5.978 25755 1338 1 6 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.007 0.197 25755 1339 1 6 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.794 -0.277 25755 1340 1 6 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.463 -0.072 25755 1341 1 6 . 1 1 9 9 GLU H H 9 9.072 9.072 8.444 0.628 25755 1342 1 6 . 1 1 10 10 ASN N N 10 116.120 116.120 117.842 -1.722 25755 1343 1 6 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.555 -0.117 25755 1344 1 6 . 1 1 10 10 ASN CA C 10 54.587 54.587 53.108 1.479 25755 1345 1 6 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.305 -0.027 25755 1346 1 6 . 1 1 10 10 ASN H H 10 9.301 9.301 7.781 1.520 25755 1347 1 6 . 1 1 11 11 TYR N N 11 122.436 122.436 120.812 1.624 25755 1348 1 6 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.641 -0.447 25755 1349 1 6 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.386 2.226 25755 1350 1 6 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.912 -2.445 25755 1351 1 6 . 1 1 11 11 TYR H H 11 7.550 7.550 7.591 -0.041 25755 1352 1 6 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.519 -0.072 25755 1353 1 6 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.493 0.005 25755 1354 1 6 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.641 -2.050 25755 1355 1 6 . 1 1 13 13 VAL N N 13 124.506 124.506 122.113 2.393 25755 1356 1 6 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.734 0.102 25755 1357 1 6 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.655 1.106 25755 1358 1 6 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.437 0.143 25755 1359 1 6 . 1 1 13 13 VAL H H 13 8.169 8.169 8.445 -0.276 25755 1360 1 6 . 1 1 14 14 SER N N 14 116.625 116.625 116.233 0.392 25755 1361 1 6 . 1 1 14 14 SER HA H 14 4.206 4.206 4.174 0.032 25755 1362 1 6 . 1 1 14 14 SER CA C 14 61.194 61.194 62.397 -1.203 25755 1363 1 6 . 1 1 14 14 SER CB C 14 62.041 62.041 62.774 -0.733 25755 1364 1 6 . 1 1 14 14 SER H H 14 8.396 8.396 8.185 0.211 25755 1365 1 6 . 1 1 15 15 LYS N N 15 120.843 120.843 122.237 -1.394 25755 1366 1 6 . 1 1 15 15 LYS HA H 15 4.200 4.200 3.967 0.233 25755 1367 1 6 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.296 0.327 25755 1368 1 6 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.117 0.069 25755 1369 1 6 . 1 1 15 15 LYS H H 15 7.791 7.791 7.619 0.172 25755 1370 1 6 . 1 1 16 16 CYS N N 16 115.949 115.949 116.423 -0.474 25755 1371 1 6 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.557 0.336 25755 1372 1 6 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.830 -4.260 25755 1373 1 6 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.454 14.983 25755 1374 1 6 . 1 1 16 16 CYS H H 16 7.870 7.870 7.505 0.365 25755 1375 1 6 . 1 1 17 17 GLN N N 17 117.241 117.241 116.826 0.415 25755 1376 1 6 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.226 0.048 25755 1377 1 6 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.352 0.585 25755 1378 1 6 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.851 0.337 25755 1379 1 6 . 1 1 17 17 GLN H H 17 7.560 7.560 7.564 -0.004 25755 1380 1 6 . 1 1 18 18 LEU N N 18 120.537 120.537 122.217 -1.680 25755 1381 1 6 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.202 0.238 25755 1382 1 6 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.085 0.363 25755 1383 1 6 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.906 0.931 25755 1384 1 6 . 1 1 18 18 LEU H H 18 7.369 7.369 7.496 -0.127 25755 1385 1 6 . 1 1 19 19 ARG N N 19 121.697 121.697 123.452 -1.755 25755 1386 1 6 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.036 0.263 25755 1387 1 6 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.469 -0.633 25755 1388 1 6 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.000 0.392 25755 1389 1 6 . 1 1 19 19 ARG H H 19 8.447 8.447 8.081 0.366 25755 1390 1 6 . 1 1 20 20 ILE N N 20 116.439 116.439 116.237 0.202 25755 1391 1 6 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.069 0.065 25755 1392 1 6 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.342 0.155 25755 1393 1 6 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.172 -0.008 25755 1394 1 6 . 1 1 20 20 ILE H H 20 7.758 7.758 7.772 -0.014 25755 1395 1 6 . 1 1 21 21 ALA N N 21 122.642 122.642 122.847 -0.205 25755 1396 1 6 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.575 -0.193 25755 1397 1 6 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.658 0.737 25755 1398 1 6 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.799 0.299 25755 1399 1 6 . 1 1 21 21 ALA H H 21 7.727 7.727 7.359 0.368 25755 1400 1 6 . 1 1 22 22 ASN N N 22 116.616 116.616 121.916 -5.300 25755 1401 1 6 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.877 -0.086 25755 1402 1 6 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.440 0.437 25755 1403 1 6 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.022 -0.468 25755 1404 1 6 . 1 1 22 22 ASN H H 22 8.307 8.307 8.548 -0.241 25755 1405 1 6 . 1 1 23 23 GLN N N 23 124.357 124.357 123.868 0.489 25755 1406 1 6 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.290 -0.272 25755 1407 1 6 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.576 1.072 25755 1408 1 6 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.724 0.674 25755 1409 1 6 . 1 1 23 23 GLN H H 23 8.542 8.542 8.301 0.241 25755 1410 1 6 . 1 1 24 24 CYS N N 24 118.909 118.909 119.254 -0.345 25755 1411 1 6 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.141 0.143 25755 1412 1 6 . 1 1 24 24 CYS CA C 24 58.406 58.406 63.118 -4.713 25755 1413 1 6 . 1 1 24 24 CYS CB C 24 38.776 38.776 27.016 11.760 25755 1414 1 6 . 1 1 24 24 CYS H H 24 8.352 8.352 8.503 -0.151 25755 1415 1 6 . 1 1 25 25 ASN N N 25 118.182 118.182 119.277 -1.095 25755 1416 1 6 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.261 -0.373 25755 1417 1 6 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.458 1.214 25755 1418 1 6 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.299 2.474 25755 1419 1 6 . 1 1 25 25 ASN H H 25 7.504 7.504 8.466 -0.962 25755 1420 1 6 . 1 1 26 26 TYR N N 26 117.354 117.354 119.331 -1.977 25755 1421 1 6 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.176 -0.211 25755 1422 1 6 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.901 0.261 25755 1423 1 6 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.918 -0.288 25755 1424 1 6 . 1 1 26 26 TYR H H 26 7.322 7.322 7.553 -0.231 25755 1425 1 6 . 1 1 27 27 ASP N N 27 119.874 119.874 120.172 -0.298 25755 1426 1 6 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.321 0.334 25755 1427 1 6 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.924 -0.334 25755 1428 1 6 . 1 1 27 27 ASP H H 27 9.218 9.218 8.261 0.957 25755 1429 1 6 . 1 1 28 28 CYS N N 28 119.782 119.782 118.982 0.800 25755 1430 1 6 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.916 0.252 25755 1431 1 6 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.414 -1.500 25755 1432 1 6 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.267 10.678 25755 1433 1 6 . 1 1 28 28 CYS H H 28 9.171 9.171 8.302 0.869 25755 1434 1 6 . 1 1 29 29 LYS N N 29 119.663 119.663 119.133 0.530 25755 1435 1 6 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.983 0.154 25755 1436 1 6 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.045 0.735 25755 1437 1 6 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.868 0.545 25755 1438 1 6 . 1 1 29 29 LYS H H 29 7.546 7.546 7.468 0.078 25755 1439 1 6 . 1 1 30 30 LEU N N 30 119.987 119.987 120.926 -0.939 25755 1440 1 6 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.847 0.264 25755 1441 1 6 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.743 -0.071 25755 1442 1 6 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.255 0.124 25755 1443 1 6 . 1 1 30 30 LEU H H 30 8.226 8.226 7.779 0.447 25755 1444 1 6 . 1 1 31 31 ASP N N 31 116.853 116.853 117.469 -0.616 25755 1445 1 6 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.537 0.009 25755 1446 1 6 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.456 0.810 25755 1447 1 6 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.103 -0.625 25755 1448 1 6 . 1 1 31 31 ASP H H 31 9.019 9.019 7.913 1.106 25755 1449 1 6 . 1 1 32 32 LYS N N 32 112.075 112.075 118.555 -6.480 25755 1450 1 6 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.116 0.433 25755 1451 1 6 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.799 -4.334 25755 1452 1 6 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.611 -0.747 25755 1453 1 6 . 1 1 32 32 LYS H H 32 6.639 6.639 8.227 -1.588 25755 1454 1 6 . 1 1 33 33 HIS N N 33 112.955 112.955 114.497 -1.542 25755 1455 1 6 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.276 0.347 25755 1456 1 6 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.453 0.033 25755 1457 1 6 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.507 -1.813 25755 1458 1 6 . 1 1 33 33 HIS H H 33 7.065 7.065 8.072 -1.007 25755 1459 1 6 . 1 1 34 34 ALA N N 34 120.177 120.177 119.404 0.773 25755 1460 1 6 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.617 0.532 25755 1461 1 6 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.407 -1.627 25755 1462 1 6 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.530 -0.412 25755 1463 1 6 . 1 1 34 34 ALA H H 34 7.716 7.716 7.074 0.642 25755 1464 1 6 . 1 1 35 35 ARG N N 35 116.636 116.636 117.228 -0.592 25755 1465 1 6 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.086 0.120 25755 1466 1 6 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.182 -0.106 25755 1467 1 6 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.152 0.565 25755 1468 1 6 . 1 1 35 35 ARG H H 35 8.295 8.295 8.049 0.246 25755 1469 1 6 . 1 1 36 36 SER N N 36 109.273 109.273 110.897 -1.624 25755 1470 1 6 . 1 1 36 36 SER HA H 36 4.646 4.646 4.411 0.235 25755 1471 1 6 . 1 1 36 36 SER CA C 36 57.703 57.703 57.955 -0.252 25755 1472 1 6 . 1 1 36 36 SER CB C 36 65.425 65.425 65.047 0.378 25755 1473 1 6 . 1 1 36 36 SER H H 36 8.026 8.026 7.949 0.077 25755 1474 1 6 . 1 1 37 37 GLY N N 37 107.305 107.305 109.089 -1.784 25755 1475 1 6 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.792 2.360 25755 1476 1 6 . 1 1 37 37 GLY H H 37 8.679 8.679 7.782 0.897 25755 1477 1 6 . 1 1 38 38 GLU N N 38 119.065 119.065 122.061 -2.996 25755 1478 1 6 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.563 -0.161 25755 1479 1 6 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.811 0.962 25755 1480 1 6 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.904 -2.082 25755 1481 1 6 . 1 1 38 38 GLU H H 38 8.351 8.351 8.866 -0.515 25755 1482 1 6 . 1 1 39 39 CYS N N 39 121.636 121.636 118.396 3.240 25755 1483 1 6 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.428 0.559 25755 1484 1 6 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.636 -0.908 25755 1485 1 6 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.669 16.350 25755 1486 1 6 . 1 1 39 39 CYS H H 39 8.839 8.839 8.273 0.566 25755 1487 1 6 . 1 1 40 40 PHE N N 40 121.987 121.987 120.191 1.796 25755 1488 1 6 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.825 -0.055 25755 1489 1 6 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.557 0.412 25755 1490 1 6 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.856 0.904 25755 1491 1 6 . 1 1 40 40 PHE H H 40 9.214 9.214 8.897 0.317 25755 1492 1 6 . 1 1 41 41 TYR N N 41 121.905 121.905 119.630 2.275 25755 1493 1 6 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.642 0.318 25755 1494 1 6 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.234 -0.702 25755 1495 1 6 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.142 1.160 25755 1496 1 6 . 1 1 41 41 TYR H H 41 8.557 8.557 8.731 -0.174 25755 1497 1 6 . 1 1 42 42 ASP N N 42 123.133 123.133 121.063 2.070 25755 1498 1 6 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.847 -0.094 25755 1499 1 6 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.933 -0.507 25755 1500 1 6 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.618 -0.998 25755 1501 1 6 . 1 1 42 42 ASP H H 42 8.603 8.603 7.933 0.670 25755 1502 1 6 . 1 1 43 43 GLU N N 43 118.012 118.012 119.446 -1.434 25755 1503 1 6 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.148 0.061 25755 1504 1 6 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.700 0.165 25755 1505 1 6 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.592 -0.355 25755 1506 1 6 . 1 1 43 43 GLU H H 43 9.081 9.081 8.711 0.370 25755 1507 1 6 . 1 1 44 44 LYS N N 44 120.047 120.047 117.510 2.537 25755 1508 1 6 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.437 0.007 25755 1509 1 6 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.401 0.260 25755 1510 1 6 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.821 -0.782 25755 1511 1 6 . 1 1 44 44 LYS H H 44 8.162 8.162 7.726 0.436 25755 1512 1 6 . 1 1 45 45 ARG N N 45 113.453 113.453 116.392 -2.939 25755 1513 1 6 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.137 -0.474 25755 1514 1 6 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.788 0.949 25755 1515 1 6 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.528 -1.138 25755 1516 1 6 . 1 1 45 45 ARG H H 45 8.335 8.335 7.732 0.603 25755 1517 1 6 . 1 1 46 46 ASN N N 46 118.207 118.207 116.586 1.621 25755 1518 1 6 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.947 0.035 25755 1519 1 6 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.010 1.056 25755 1520 1 6 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.957 0.336 25755 1521 1 6 . 1 1 46 46 ASN H H 46 8.745 8.745 8.282 0.463 25755 1522 1 6 . 1 1 47 47 LEU N N 47 125.815 125.815 126.577 -0.762 25755 1523 1 6 . 1 1 47 47 LEU HA H 47 4.279 4.279 3.977 0.302 25755 1524 1 6 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.095 0.195 25755 1525 1 6 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.525 1.781 25755 1526 1 6 . 1 1 47 47 LEU H H 47 8.509 8.509 8.726 -0.217 25755 1527 1 6 . 1 1 48 48 GLN N N 48 120.834 120.834 122.397 -1.563 25755 1528 1 6 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.700 0.036 25755 1529 1 6 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.932 0.173 25755 1530 1 6 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.907 -1.041 25755 1531 1 6 . 1 1 48 48 GLN H H 48 8.589 8.589 8.956 -0.367 25755 1532 1 6 . 1 1 49 49 CYS N N 49 121.829 121.829 122.939 -1.110 25755 1533 1 6 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.658 0.200 25755 1534 1 6 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.452 -3.497 25755 1535 1 6 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.570 12.875 25755 1536 1 6 . 1 1 49 49 CYS H H 49 9.247 9.247 9.010 0.237 25755 1537 1 6 . 1 1 50 50 ILE N N 50 129.010 129.010 130.100 -1.090 25755 1538 1 6 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.412 -0.026 25755 1539 1 6 . 1 1 50 50 ILE CA C 50 60.421 60.421 62.161 -1.740 25755 1540 1 6 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.723 -0.319 25755 1541 1 6 . 1 1 50 50 ILE H H 50 8.787 8.787 7.957 0.830 25755 1542 1 6 . 1 1 51 51 CYS N N 51 126.108 126.108 127.268 -1.160 25755 1543 1 6 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.626 0.711 25755 1544 1 6 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.631 -6.813 25755 1545 1 6 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.441 6.541 25755 1546 1 6 . 1 1 51 51 CYS H H 51 8.556 8.556 9.316 -0.760 25755 1547 1 6 . 1 1 52 52 ASP N N 52 122.342 122.342 119.678 2.664 25755 1548 1 6 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.834 0.679 25755 1549 1 6 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.464 -0.881 25755 1550 1 6 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.649 0.182 25755 1551 1 6 . 1 1 52 52 ASP H H 52 8.826 8.826 8.474 0.352 25755 1552 1 6 . 1 1 53 53 TYR N N 53 125.370 125.370 123.557 1.813 25755 1553 1 6 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.584 -0.326 25755 1554 1 6 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.750 0.915 25755 1555 1 6 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.771 -0.988 25755 1556 1 6 . 1 1 53 53 TYR H H 53 9.734 9.734 8.667 1.067 25755 1557 1 6 . 1 1 54 54 CYS N N 54 120.418 120.418 121.889 -1.471 25755 1558 1 6 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.473 0.021 25755 1559 1 6 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.614 -4.471 25755 1560 1 6 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.111 15.271 25755 1561 1 6 . 1 1 54 54 CYS H H 54 9.478 9.478 8.844 0.634 25755 1562 1 6 . 1 1 55 55 GLU N N 55 121.097 121.097 119.027 2.070 25755 1563 1 6 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.443 -0.131 25755 1564 1 6 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.109 -0.099 25755 1565 1 6 . 1 1 55 55 GLU CB C 55 31.014 31.014 31.980 -0.966 25755 1566 1 6 . 1 1 55 55 GLU H H 55 8.423 8.423 7.953 0.470 25755 1567 1 7 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.783 -0.532 25755 1568 1 7 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.032 5.452 25755 1569 1 7 . 1 1 2 2 ASP CB C 2 39.412 39.412 39.746 -0.334 25755 1570 1 7 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.416 -0.071 25755 1571 1 7 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.298 1.258 25755 1572 1 7 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.459 0.134 25755 1573 1 7 . 1 1 4 4 CYS N N 4 117.049 117.049 118.794 -1.745 25755 1574 1 7 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.955 -0.227 25755 1575 1 7 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.426 -0.011 25755 1576 1 7 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.540 12.303 25755 1577 1 7 . 1 1 4 4 CYS H H 4 8.486 8.486 7.997 0.489 25755 1578 1 7 . 1 1 5 5 LYS N N 5 118.790 118.790 121.129 -2.339 25755 1579 1 7 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.781 0.790 25755 1580 1 7 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.735 -0.445 25755 1581 1 7 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.874 -0.268 25755 1582 1 7 . 1 1 5 5 LYS H H 5 8.007 8.007 8.180 -0.173 25755 1583 1 7 . 1 1 6 6 LYS N N 6 121.177 121.177 120.590 0.587 25755 1584 1 7 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.578 0.207 25755 1585 1 7 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.144 -0.602 25755 1586 1 7 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.583 1.319 25755 1587 1 7 . 1 1 6 6 LYS H H 6 9.014 9.014 8.731 0.283 25755 1588 1 7 . 1 1 7 7 VAL N N 7 127.629 127.629 124.535 3.094 25755 1589 1 7 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.058 -0.032 25755 1590 1 7 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.783 1.205 25755 1591 1 7 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.512 0.595 25755 1592 1 7 . 1 1 7 7 VAL H H 7 8.837 8.837 8.585 0.252 25755 1593 1 7 . 1 1 8 8 TYR N N 8 130.003 130.003 128.874 1.129 25755 1594 1 7 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.682 -0.223 25755 1595 1 7 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.139 0.581 25755 1596 1 7 . 1 1 8 8 TYR CB C 8 36.018 36.018 36.610 -0.592 25755 1597 1 7 . 1 1 8 8 TYR H H 8 9.251 9.251 8.367 0.884 25755 1598 1 7 . 1 1 9 9 GLU N N 9 130.851 130.851 123.013 7.838 25755 1599 1 7 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.115 0.089 25755 1600 1 7 . 1 1 9 9 GLU CA C 9 58.517 58.517 59.275 -0.758 25755 1601 1 7 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.691 -0.300 25755 1602 1 7 . 1 1 9 9 GLU H H 9 9.072 9.072 8.187 0.885 25755 1603 1 7 . 1 1 10 10 ASN N N 10 116.120 116.120 118.079 -1.959 25755 1604 1 7 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.845 -0.407 25755 1605 1 7 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.833 1.754 25755 1606 1 7 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.960 -0.682 25755 1607 1 7 . 1 1 10 10 ASN H H 10 9.301 9.301 8.616 0.685 25755 1608 1 7 . 1 1 11 11 TYR N N 11 122.436 122.436 120.238 2.198 25755 1609 1 7 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.417 -0.223 25755 1610 1 7 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.536 2.076 25755 1611 1 7 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.782 -2.315 25755 1612 1 7 . 1 1 11 11 TYR H H 11 7.550 7.550 7.501 0.049 25755 1613 1 7 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.573 -0.126 25755 1614 1 7 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.628 -0.130 25755 1615 1 7 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.853 -2.262 25755 1616 1 7 . 1 1 13 13 VAL N N 13 124.506 124.506 121.074 3.432 25755 1617 1 7 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.774 0.062 25755 1618 1 7 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.708 1.053 25755 1619 1 7 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.746 -0.166 25755 1620 1 7 . 1 1 13 13 VAL H H 13 8.169 8.169 8.407 -0.238 25755 1621 1 7 . 1 1 14 14 SER N N 14 116.625 116.625 117.518 -0.893 25755 1622 1 7 . 1 1 14 14 SER HA H 14 4.206 4.206 4.382 -0.176 25755 1623 1 7 . 1 1 14 14 SER CA C 14 61.194 61.194 62.050 -0.856 25755 1624 1 7 . 1 1 14 14 SER CB C 14 62.041 62.041 62.782 -0.741 25755 1625 1 7 . 1 1 14 14 SER H H 14 8.396 8.396 8.258 0.138 25755 1626 1 7 . 1 1 15 15 LYS N N 15 120.843 120.843 121.565 -0.722 25755 1627 1 7 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.015 0.185 25755 1628 1 7 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.191 0.432 25755 1629 1 7 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.071 0.115 25755 1630 1 7 . 1 1 15 15 LYS H H 15 7.791 7.791 7.769 0.022 25755 1631 1 7 . 1 1 16 16 CYS N N 16 115.949 115.949 118.124 -2.175 25755 1632 1 7 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.444 0.449 25755 1633 1 7 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.613 -5.043 25755 1634 1 7 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.538 14.899 25755 1635 1 7 . 1 1 16 16 CYS H H 16 7.870 7.870 7.665 0.205 25755 1636 1 7 . 1 1 17 17 GLN N N 17 117.241 117.241 118.802 -1.561 25755 1637 1 7 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.052 0.222 25755 1638 1 7 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.510 -0.573 25755 1639 1 7 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.590 0.597 25755 1640 1 7 . 1 1 17 17 GLN H H 17 7.560 7.560 7.778 -0.218 25755 1641 1 7 . 1 1 18 18 LEU N N 18 120.537 120.537 121.535 -0.998 25755 1642 1 7 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.138 0.302 25755 1643 1 7 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.120 0.328 25755 1644 1 7 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.862 0.975 25755 1645 1 7 . 1 1 18 18 LEU H H 18 7.369 7.369 7.425 -0.056 25755 1646 1 7 . 1 1 19 19 ARG N N 19 121.697 121.697 122.412 -0.715 25755 1647 1 7 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.020 0.279 25755 1648 1 7 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.425 -0.589 25755 1649 1 7 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.006 0.386 25755 1650 1 7 . 1 1 19 19 ARG H H 19 8.447 8.447 8.114 0.333 25755 1651 1 7 . 1 1 20 20 ILE N N 20 116.439 116.439 116.328 0.111 25755 1652 1 7 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.060 0.074 25755 1653 1 7 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.343 0.154 25755 1654 1 7 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.131 0.033 25755 1655 1 7 . 1 1 20 20 ILE H H 20 7.758 7.758 7.758 0.000 25755 1656 1 7 . 1 1 21 21 ALA N N 21 122.642 122.642 122.844 -0.202 25755 1657 1 7 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.542 -0.160 25755 1658 1 7 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.617 0.778 25755 1659 1 7 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.759 0.339 25755 1660 1 7 . 1 1 21 21 ALA H H 21 7.727 7.727 7.338 0.389 25755 1661 1 7 . 1 1 22 22 ASN N N 22 116.616 116.616 121.845 -5.229 25755 1662 1 7 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.683 0.108 25755 1663 1 7 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.441 0.436 25755 1664 1 7 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.971 -0.417 25755 1665 1 7 . 1 1 22 22 ASN H H 22 8.307 8.307 8.508 -0.201 25755 1666 1 7 . 1 1 23 23 GLN N N 23 124.357 124.357 122.976 1.381 25755 1667 1 7 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.307 -0.289 25755 1668 1 7 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.781 0.867 25755 1669 1 7 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.565 0.834 25755 1670 1 7 . 1 1 23 23 GLN H H 23 8.542 8.542 8.104 0.438 25755 1671 1 7 . 1 1 24 24 CYS N N 24 118.909 118.909 118.904 0.005 25755 1672 1 7 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.061 0.223 25755 1673 1 7 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.411 -4.005 25755 1674 1 7 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.802 11.974 25755 1675 1 7 . 1 1 24 24 CYS H H 24 8.352 8.352 8.724 -0.372 25755 1676 1 7 . 1 1 25 25 ASN N N 25 118.182 118.182 119.819 -1.637 25755 1677 1 7 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.299 -0.411 25755 1678 1 7 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.781 0.891 25755 1679 1 7 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.207 2.566 25755 1680 1 7 . 1 1 25 25 ASN H H 25 7.504 7.504 8.475 -0.971 25755 1681 1 7 . 1 1 26 26 TYR N N 26 117.354 117.354 120.151 -2.797 25755 1682 1 7 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.221 -0.256 25755 1683 1 7 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.256 0.906 25755 1684 1 7 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.630 -0.000 25755 1685 1 7 . 1 1 26 26 TYR H H 26 7.322 7.322 7.596 -0.274 25755 1686 1 7 . 1 1 27 27 ASP N N 27 119.874 119.874 120.142 -0.268 25755 1687 1 7 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.348 0.307 25755 1688 1 7 . 1 1 27 27 ASP CB C 27 40.590 40.590 41.183 -0.593 25755 1689 1 7 . 1 1 27 27 ASP H H 27 9.218 9.218 8.187 1.031 25755 1690 1 7 . 1 1 28 28 CYS N N 28 119.782 119.782 118.952 0.830 25755 1691 1 7 . 1 1 28 28 CYS HA H 28 4.168 4.168 4.084 0.084 25755 1692 1 7 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.621 -1.707 25755 1693 1 7 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.388 10.557 25755 1694 1 7 . 1 1 28 28 CYS H H 28 9.171 9.171 8.521 0.650 25755 1695 1 7 . 1 1 29 29 LYS N N 29 119.663 119.663 118.597 1.066 25755 1696 1 7 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.855 0.282 25755 1697 1 7 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.049 0.732 25755 1698 1 7 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.784 0.629 25755 1699 1 7 . 1 1 29 29 LYS H H 29 7.546 7.546 7.442 0.104 25755 1700 1 7 . 1 1 30 30 LEU N N 30 119.987 119.987 119.423 0.564 25755 1701 1 7 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.833 0.278 25755 1702 1 7 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.333 -0.661 25755 1703 1 7 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.093 0.286 25755 1704 1 7 . 1 1 30 30 LEU H H 30 8.226 8.226 7.523 0.703 25755 1705 1 7 . 1 1 31 31 ASP N N 31 116.853 116.853 116.598 0.255 25755 1706 1 7 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.661 -0.115 25755 1707 1 7 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.818 0.448 25755 1708 1 7 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.802 -1.324 25755 1709 1 7 . 1 1 31 31 ASP H H 31 9.019 9.019 7.865 1.154 25755 1710 1 7 . 1 1 32 32 LYS N N 32 112.075 112.075 119.100 -7.025 25755 1711 1 7 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.154 0.395 25755 1712 1 7 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.642 -4.177 25755 1713 1 7 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.496 -0.631 25755 1714 1 7 . 1 1 32 32 LYS H H 32 6.639 6.639 8.290 -1.651 25755 1715 1 7 . 1 1 33 33 HIS N N 33 112.955 112.955 113.454 -0.499 25755 1716 1 7 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.152 0.471 25755 1717 1 7 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.698 -0.212 25755 1718 1 7 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.668 -1.974 25755 1719 1 7 . 1 1 33 33 HIS H H 33 7.065 7.065 8.083 -1.018 25755 1720 1 7 . 1 1 34 34 ALA N N 34 120.177 120.177 119.396 0.781 25755 1721 1 7 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.688 0.461 25755 1722 1 7 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.490 -1.711 25755 1723 1 7 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.456 -0.338 25755 1724 1 7 . 1 1 34 34 ALA H H 34 7.716 7.716 7.056 0.660 25755 1725 1 7 . 1 1 35 35 ARG N N 35 116.636 116.636 117.047 -0.411 25755 1726 1 7 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.124 0.082 25755 1727 1 7 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.386 -0.310 25755 1728 1 7 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.113 0.603 25755 1729 1 7 . 1 1 35 35 ARG H H 35 8.295 8.295 8.039 0.256 25755 1730 1 7 . 1 1 36 36 SER N N 36 109.273 109.273 111.903 -2.630 25755 1731 1 7 . 1 1 36 36 SER HA H 36 4.646 4.646 4.517 0.129 25755 1732 1 7 . 1 1 36 36 SER CA C 36 57.703 57.703 57.861 -0.159 25755 1733 1 7 . 1 1 36 36 SER CB C 36 65.425 65.425 65.034 0.391 25755 1734 1 7 . 1 1 36 36 SER H H 36 8.026 8.026 8.011 0.015 25755 1735 1 7 . 1 1 37 37 GLY N N 37 107.305 107.305 111.093 -3.788 25755 1736 1 7 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.851 2.301 25755 1737 1 7 . 1 1 37 37 GLY H H 37 8.679 8.679 7.833 0.846 25755 1738 1 7 . 1 1 38 38 GLU N N 38 119.065 119.065 122.359 -3.294 25755 1739 1 7 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.560 -0.158 25755 1740 1 7 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.750 1.023 25755 1741 1 7 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.946 -2.124 25755 1742 1 7 . 1 1 38 38 GLU H H 38 8.351 8.351 8.869 -0.518 25755 1743 1 7 . 1 1 39 39 CYS N N 39 121.636 121.636 118.523 3.113 25755 1744 1 7 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.344 0.643 25755 1745 1 7 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.717 -0.989 25755 1746 1 7 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.441 16.578 25755 1747 1 7 . 1 1 39 39 CYS H H 39 8.839 8.839 8.282 0.557 25755 1748 1 7 . 1 1 40 40 PHE N N 40 121.987 121.987 120.387 1.600 25755 1749 1 7 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.785 -0.015 25755 1750 1 7 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.524 0.445 25755 1751 1 7 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.914 0.846 25755 1752 1 7 . 1 1 40 40 PHE H H 40 9.214 9.214 8.810 0.404 25755 1753 1 7 . 1 1 41 41 TYR N N 41 121.905 121.905 118.951 2.954 25755 1754 1 7 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.643 0.317 25755 1755 1 7 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.013 -0.481 25755 1756 1 7 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.255 1.047 25755 1757 1 7 . 1 1 41 41 TYR H H 41 8.557 8.557 8.663 -0.106 25755 1758 1 7 . 1 1 42 42 ASP N N 42 123.133 123.133 121.090 2.043 25755 1759 1 7 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.830 -0.077 25755 1760 1 7 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.981 -0.555 25755 1761 1 7 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.694 -1.073 25755 1762 1 7 . 1 1 42 42 ASP H H 42 8.603 8.603 8.019 0.584 25755 1763 1 7 . 1 1 43 43 GLU N N 43 118.012 118.012 119.949 -1.937 25755 1764 1 7 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.147 0.062 25755 1765 1 7 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.951 -0.086 25755 1766 1 7 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.568 -0.331 25755 1767 1 7 . 1 1 43 43 GLU H H 43 9.081 9.081 8.714 0.367 25755 1768 1 7 . 1 1 44 44 LYS N N 44 120.047 120.047 117.176 2.871 25755 1769 1 7 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.361 0.083 25755 1770 1 7 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.648 0.013 25755 1771 1 7 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.492 -0.453 25755 1772 1 7 . 1 1 44 44 LYS H H 44 8.162 8.162 7.962 0.200 25755 1773 1 7 . 1 1 45 45 ARG N N 45 113.453 113.453 115.779 -2.326 25755 1774 1 7 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.063 -0.400 25755 1775 1 7 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.792 0.944 25755 1776 1 7 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.548 -1.158 25755 1777 1 7 . 1 1 45 45 ARG H H 45 8.335 8.335 7.742 0.593 25755 1778 1 7 . 1 1 46 46 ASN N N 46 118.207 118.207 117.087 1.120 25755 1779 1 7 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.937 0.045 25755 1780 1 7 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.087 0.979 25755 1781 1 7 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.650 0.643 25755 1782 1 7 . 1 1 46 46 ASN H H 46 8.745 8.745 8.295 0.450 25755 1783 1 7 . 1 1 47 47 LEU N N 47 125.815 125.815 127.038 -1.223 25755 1784 1 7 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.042 0.237 25755 1785 1 7 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.917 0.373 25755 1786 1 7 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.605 1.702 25755 1787 1 7 . 1 1 47 47 LEU H H 47 8.509 8.509 8.825 -0.317 25755 1788 1 7 . 1 1 48 48 GLN N N 48 120.834 120.834 122.216 -1.382 25755 1789 1 7 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.703 0.033 25755 1790 1 7 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.812 0.293 25755 1791 1 7 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.803 -0.937 25755 1792 1 7 . 1 1 48 48 GLN H H 48 8.589 8.589 8.858 -0.269 25755 1793 1 7 . 1 1 49 49 CYS N N 49 121.829 121.829 123.030 -1.201 25755 1794 1 7 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.562 0.296 25755 1795 1 7 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.720 -3.765 25755 1796 1 7 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.472 12.973 25755 1797 1 7 . 1 1 49 49 CYS H H 49 9.247 9.247 9.045 0.202 25755 1798 1 7 . 1 1 50 50 ILE N N 50 129.010 129.010 130.259 -1.249 25755 1799 1 7 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.456 -0.070 25755 1800 1 7 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.921 -1.500 25755 1801 1 7 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.919 -0.515 25755 1802 1 7 . 1 1 50 50 ILE H H 50 8.787 8.787 7.956 0.831 25755 1803 1 7 . 1 1 51 51 CYS N N 51 126.108 126.108 127.137 -1.029 25755 1804 1 7 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.656 0.681 25755 1805 1 7 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.588 -6.770 25755 1806 1 7 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.691 6.291 25755 1807 1 7 . 1 1 51 51 CYS H H 51 8.556 8.556 9.315 -0.759 25755 1808 1 7 . 1 1 52 52 ASP N N 52 122.342 122.342 119.697 2.645 25755 1809 1 7 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.834 0.679 25755 1810 1 7 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.443 -0.860 25755 1811 1 7 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.699 0.132 25755 1812 1 7 . 1 1 52 52 ASP H H 52 8.826 8.826 8.467 0.359 25755 1813 1 7 . 1 1 53 53 TYR N N 53 125.370 125.370 123.718 1.652 25755 1814 1 7 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.573 -0.315 25755 1815 1 7 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.748 0.917 25755 1816 1 7 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.601 -0.818 25755 1817 1 7 . 1 1 53 53 TYR H H 53 9.734 9.734 8.633 1.101 25755 1818 1 7 . 1 1 54 54 CYS N N 54 120.418 120.418 121.031 -0.613 25755 1819 1 7 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.384 0.110 25755 1820 1 7 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.758 -4.615 25755 1821 1 7 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.594 15.788 25755 1822 1 7 . 1 1 54 54 CYS H H 54 9.478 9.478 8.685 0.793 25755 1823 1 7 . 1 1 55 55 GLU N N 55 121.097 121.097 120.450 0.647 25755 1824 1 7 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.286 0.026 25755 1825 1 7 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.339 -1.329 25755 1826 1 7 . 1 1 55 55 GLU CB C 55 31.014 31.014 30.470 0.544 25755 1827 1 7 . 1 1 55 55 GLU H H 55 8.423 8.423 8.350 0.073 25755 1828 1 8 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.730 -0.479 25755 1829 1 8 . 1 1 2 2 ASP CA C 2 59.484 59.484 53.868 5.616 25755 1830 1 8 . 1 1 2 2 ASP CB C 2 39.412 39.412 41.476 -2.064 25755 1831 1 8 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.133 0.212 25755 1832 1 8 . 1 1 3 3 LYS CA C 3 57.556 57.556 57.395 0.161 25755 1833 1 8 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.779 -0.186 25755 1834 1 8 . 1 1 4 4 CYS N N 4 117.049 117.049 117.371 -0.322 25755 1835 1 8 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.847 -0.119 25755 1836 1 8 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.192 1.223 25755 1837 1 8 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.419 12.424 25755 1838 1 8 . 1 1 4 4 CYS H H 4 8.486 8.486 7.730 0.756 25755 1839 1 8 . 1 1 5 5 LYS N N 5 118.790 118.790 121.146 -2.356 25755 1840 1 8 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.944 0.627 25755 1841 1 8 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.628 -0.338 25755 1842 1 8 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.031 -0.425 25755 1843 1 8 . 1 1 5 5 LYS H H 5 8.007 8.007 8.261 -0.254 25755 1844 1 8 . 1 1 6 6 LYS N N 6 121.177 121.177 120.398 0.779 25755 1845 1 8 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.578 0.207 25755 1846 1 8 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.851 -0.309 25755 1847 1 8 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.465 1.437 25755 1848 1 8 . 1 1 6 6 LYS H H 6 9.014 9.014 8.827 0.187 25755 1849 1 8 . 1 1 7 7 VAL N N 7 127.629 127.629 123.953 3.676 25755 1850 1 8 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.109 -0.083 25755 1851 1 8 . 1 1 7 7 VAL CA C 7 63.988 63.988 61.974 2.014 25755 1852 1 8 . 1 1 7 7 VAL CB C 7 33.107 33.107 33.083 0.024 25755 1853 1 8 . 1 1 7 7 VAL H H 7 8.837 8.837 8.541 0.296 25755 1854 1 8 . 1 1 8 8 TYR N N 8 130.003 130.003 128.747 1.256 25755 1855 1 8 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.726 -0.267 25755 1856 1 8 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.506 0.214 25755 1857 1 8 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.910 -1.892 25755 1858 1 8 . 1 1 8 8 TYR H H 8 9.251 9.251 7.959 1.292 25755 1859 1 8 . 1 1 9 9 GLU N N 9 130.851 130.851 124.626 6.225 25755 1860 1 8 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.524 -0.320 25755 1861 1 8 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.350 0.167 25755 1862 1 8 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.858 -0.467 25755 1863 1 8 . 1 1 9 9 GLU H H 9 9.072 9.072 8.422 0.650 25755 1864 1 8 . 1 1 10 10 ASN N N 10 116.120 116.120 117.314 -1.194 25755 1865 1 8 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.905 -0.467 25755 1866 1 8 . 1 1 10 10 ASN CA C 10 54.587 54.587 53.089 1.498 25755 1867 1 8 . 1 1 10 10 ASN CB C 10 37.278 37.278 38.216 -0.938 25755 1868 1 8 . 1 1 10 10 ASN H H 10 9.301 9.301 8.449 0.852 25755 1869 1 8 . 1 1 11 11 TYR N N 11 122.436 122.436 121.495 0.941 25755 1870 1 8 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.504 -0.310 25755 1871 1 8 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.395 2.217 25755 1872 1 8 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.382 -1.915 25755 1873 1 8 . 1 1 11 11 TYR H H 11 7.550 7.550 7.514 0.036 25755 1874 1 8 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.540 -0.093 25755 1875 1 8 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.508 -0.010 25755 1876 1 8 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.831 -2.240 25755 1877 1 8 . 1 1 13 13 VAL N N 13 124.506 124.506 121.531 2.975 25755 1878 1 8 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.945 -0.109 25755 1879 1 8 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.542 1.219 25755 1880 1 8 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.496 0.084 25755 1881 1 8 . 1 1 13 13 VAL H H 13 8.169 8.169 8.437 -0.268 25755 1882 1 8 . 1 1 14 14 SER N N 14 116.625 116.625 116.627 -0.002 25755 1883 1 8 . 1 1 14 14 SER HA H 14 4.206 4.206 4.211 -0.005 25755 1884 1 8 . 1 1 14 14 SER CA C 14 61.194 61.194 61.737 -0.543 25755 1885 1 8 . 1 1 14 14 SER CB C 14 62.041 62.041 62.475 -0.434 25755 1886 1 8 . 1 1 14 14 SER H H 14 8.396 8.396 8.239 0.157 25755 1887 1 8 . 1 1 15 15 LYS N N 15 120.843 120.843 121.582 -0.739 25755 1888 1 8 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.014 0.186 25755 1889 1 8 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.245 0.378 25755 1890 1 8 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.184 0.001 25755 1891 1 8 . 1 1 15 15 LYS H H 15 7.791 7.791 7.996 -0.205 25755 1892 1 8 . 1 1 16 16 CYS N N 16 115.949 115.949 115.150 0.799 25755 1893 1 8 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.513 0.380 25755 1894 1 8 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.442 -3.872 25755 1895 1 8 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.419 15.018 25755 1896 1 8 . 1 1 16 16 CYS H H 16 7.870 7.870 7.626 0.244 25755 1897 1 8 . 1 1 17 17 GLN N N 17 117.241 117.241 117.114 0.127 25755 1898 1 8 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.264 0.010 25755 1899 1 8 . 1 1 17 17 GLN CA C 17 56.937 56.937 55.985 0.952 25755 1900 1 8 . 1 1 17 17 GLN CB C 17 29.187 29.187 29.001 0.186 25755 1901 1 8 . 1 1 17 17 GLN H H 17 7.560 7.560 7.633 -0.073 25755 1902 1 8 . 1 1 18 18 LEU N N 18 120.537 120.537 121.987 -1.450 25755 1903 1 8 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.195 0.245 25755 1904 1 8 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.068 0.380 25755 1905 1 8 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.863 0.974 25755 1906 1 8 . 1 1 18 18 LEU H H 18 7.369 7.369 7.486 -0.117 25755 1907 1 8 . 1 1 19 19 ARG N N 19 121.697 121.697 123.176 -1.479 25755 1908 1 8 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.005 0.294 25755 1909 1 8 . 1 1 19 19 ARG CA C 19 57.836 57.836 59.126 -1.290 25755 1910 1 8 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.258 0.134 25755 1911 1 8 . 1 1 19 19 ARG H H 19 8.447 8.447 8.028 0.419 25755 1912 1 8 . 1 1 20 20 ILE N N 20 116.439 116.439 116.247 0.192 25755 1913 1 8 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.041 0.093 25755 1914 1 8 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.339 0.158 25755 1915 1 8 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.196 -0.032 25755 1916 1 8 . 1 1 20 20 ILE H H 20 7.758 7.758 7.800 -0.042 25755 1917 1 8 . 1 1 21 21 ALA N N 21 122.642 122.642 122.826 -0.184 25755 1918 1 8 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.562 -0.180 25755 1919 1 8 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.663 0.732 25755 1920 1 8 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.785 0.313 25755 1921 1 8 . 1 1 21 21 ALA H H 21 7.727 7.727 7.338 0.389 25755 1922 1 8 . 1 1 22 22 ASN N N 22 116.616 116.616 121.899 -5.283 25755 1923 1 8 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.702 0.089 25755 1924 1 8 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.494 0.383 25755 1925 1 8 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.026 -0.472 25755 1926 1 8 . 1 1 22 22 ASN H H 22 8.307 8.307 8.540 -0.233 25755 1927 1 8 . 1 1 23 23 GLN N N 23 124.357 124.357 122.855 1.502 25755 1928 1 8 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.346 -0.328 25755 1929 1 8 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.564 1.084 25755 1930 1 8 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.699 0.700 25755 1931 1 8 . 1 1 23 23 GLN H H 23 8.542 8.542 8.130 0.412 25755 1932 1 8 . 1 1 24 24 CYS N N 24 118.909 118.909 118.871 0.038 25755 1933 1 8 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.146 0.138 25755 1934 1 8 . 1 1 24 24 CYS CA C 24 58.406 58.406 63.276 -4.870 25755 1935 1 8 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.640 12.136 25755 1936 1 8 . 1 1 24 24 CYS H H 24 8.352 8.352 8.669 -0.317 25755 1937 1 8 . 1 1 25 25 ASN N N 25 118.182 118.182 118.163 0.019 25755 1938 1 8 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.288 -0.400 25755 1939 1 8 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.845 0.827 25755 1940 1 8 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.581 2.192 25755 1941 1 8 . 1 1 25 25 ASN H H 25 7.504 7.504 8.510 -1.006 25755 1942 1 8 . 1 1 26 26 TYR N N 26 117.354 117.354 120.228 -2.874 25755 1943 1 8 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.181 -0.216 25755 1944 1 8 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.875 0.287 25755 1945 1 8 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.878 -0.248 25755 1946 1 8 . 1 1 26 26 TYR H H 26 7.322 7.322 7.590 -0.268 25755 1947 1 8 . 1 1 27 27 ASP N N 27 119.874 119.874 120.105 -0.231 25755 1948 1 8 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.434 0.221 25755 1949 1 8 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.941 -0.351 25755 1950 1 8 . 1 1 27 27 ASP H H 27 9.218 9.218 8.203 1.015 25755 1951 1 8 . 1 1 28 28 CYS N N 28 119.782 119.782 119.073 0.709 25755 1952 1 8 . 1 1 28 28 CYS HA H 28 4.168 4.168 4.069 0.099 25755 1953 1 8 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.717 -1.803 25755 1954 1 8 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.248 10.697 25755 1955 1 8 . 1 1 28 28 CYS H H 28 9.171 9.171 8.271 0.900 25755 1956 1 8 . 1 1 29 29 LYS N N 29 119.663 119.663 118.463 1.200 25755 1957 1 8 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.897 0.240 25755 1958 1 8 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.993 0.788 25755 1959 1 8 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.665 0.748 25755 1960 1 8 . 1 1 29 29 LYS H H 29 7.546 7.546 7.444 0.102 25755 1961 1 8 . 1 1 30 30 LEU N N 30 119.987 119.987 120.560 -0.573 25755 1962 1 8 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.971 0.140 25755 1963 1 8 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.839 -0.167 25755 1964 1 8 . 1 1 30 30 LEU CB C 30 42.379 42.379 41.315 1.064 25755 1965 1 8 . 1 1 30 30 LEU H H 30 8.226 8.226 7.567 0.659 25755 1966 1 8 . 1 1 31 31 ASP N N 31 116.853 116.853 117.307 -0.454 25755 1967 1 8 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.704 -0.158 25755 1968 1 8 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.774 0.492 25755 1969 1 8 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.797 -1.319 25755 1970 1 8 . 1 1 31 31 ASP H H 31 9.019 9.019 7.870 1.149 25755 1971 1 8 . 1 1 32 32 LYS N N 32 112.075 112.075 118.494 -6.419 25755 1972 1 8 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.206 0.343 25755 1973 1 8 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.773 -4.308 25755 1974 1 8 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.630 -0.765 25755 1975 1 8 . 1 1 32 32 LYS H H 32 6.639 6.639 8.441 -1.802 25755 1976 1 8 . 1 1 33 33 HIS N N 33 112.955 112.955 114.823 -1.868 25755 1977 1 8 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.193 0.430 25755 1978 1 8 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.207 0.279 25755 1979 1 8 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.363 -2.669 25755 1980 1 8 . 1 1 33 33 HIS H H 33 7.065 7.065 8.103 -1.038 25755 1981 1 8 . 1 1 34 34 ALA N N 34 120.177 120.177 118.875 1.302 25755 1982 1 8 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.768 0.381 25755 1983 1 8 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.447 -1.668 25755 1984 1 8 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.715 -0.597 25755 1985 1 8 . 1 1 34 34 ALA H H 34 7.716 7.716 6.987 0.729 25755 1986 1 8 . 1 1 35 35 ARG N N 35 116.636 116.636 117.083 -0.447 25755 1987 1 8 . 1 1 35 35 ARG HA H 35 4.206 4.206 3.989 0.217 25755 1988 1 8 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.883 -1.807 25755 1989 1 8 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.417 0.300 25755 1990 1 8 . 1 1 35 35 ARG H H 35 8.295 8.295 8.202 0.093 25755 1991 1 8 . 1 1 36 36 SER N N 36 109.273 109.273 111.795 -2.522 25755 1992 1 8 . 1 1 36 36 SER HA H 36 4.646 4.646 4.466 0.180 25755 1993 1 8 . 1 1 36 36 SER CA C 36 57.703 57.703 58.297 -0.594 25755 1994 1 8 . 1 1 36 36 SER CB C 36 65.425 65.425 65.536 -0.111 25755 1995 1 8 . 1 1 36 36 SER H H 36 8.026 8.026 8.136 -0.110 25755 1996 1 8 . 1 1 37 37 GLY N N 37 107.305 107.305 111.134 -3.829 25755 1997 1 8 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.850 2.301 25755 1998 1 8 . 1 1 37 37 GLY H H 37 8.679 8.679 7.855 0.824 25755 1999 1 8 . 1 1 38 38 GLU N N 38 119.065 119.065 122.307 -3.242 25755 2000 1 8 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.551 -0.149 25755 2001 1 8 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.804 0.969 25755 2002 1 8 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.904 -2.082 25755 2003 1 8 . 1 1 38 38 GLU H H 38 8.351 8.351 8.856 -0.505 25755 2004 1 8 . 1 1 39 39 CYS N N 39 121.636 121.636 118.288 3.348 25755 2005 1 8 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.423 0.564 25755 2006 1 8 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.573 -0.845 25755 2007 1 8 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.744 16.275 25755 2008 1 8 . 1 1 39 39 CYS H H 39 8.839 8.839 8.241 0.598 25755 2009 1 8 . 1 1 40 40 PHE N N 40 121.987 121.987 120.128 1.859 25755 2010 1 8 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.787 -0.017 25755 2011 1 8 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.582 0.387 25755 2012 1 8 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.856 0.904 25755 2013 1 8 . 1 1 40 40 PHE H H 40 9.214 9.214 8.889 0.325 25755 2014 1 8 . 1 1 41 41 TYR N N 41 121.905 121.905 119.791 2.114 25755 2015 1 8 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.593 0.367 25755 2016 1 8 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.037 -0.505 25755 2017 1 8 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.172 1.130 25755 2018 1 8 . 1 1 41 41 TYR H H 41 8.557 8.557 8.755 -0.198 25755 2019 1 8 . 1 1 42 42 ASP N N 42 123.133 123.133 120.379 2.754 25755 2020 1 8 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.788 -0.035 25755 2021 1 8 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.051 0.375 25755 2022 1 8 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.354 -0.734 25755 2023 1 8 . 1 1 42 42 ASP H H 42 8.603 8.603 8.378 0.225 25755 2024 1 8 . 1 1 43 43 GLU N N 43 118.012 118.012 118.265 -0.253 25755 2025 1 8 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.119 0.090 25755 2026 1 8 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.949 -0.084 25755 2027 1 8 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.507 -0.270 25755 2028 1 8 . 1 1 43 43 GLU H H 43 9.081 9.081 8.760 0.321 25755 2029 1 8 . 1 1 44 44 LYS N N 44 120.047 120.047 116.747 3.300 25755 2030 1 8 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.347 0.097 25755 2031 1 8 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.568 0.093 25755 2032 1 8 . 1 1 44 44 LYS CB C 44 32.039 32.039 31.725 0.314 25755 2033 1 8 . 1 1 44 44 LYS H H 44 8.162 8.162 8.447 -0.285 25755 2034 1 8 . 1 1 45 45 ARG N N 45 113.453 113.453 115.506 -2.053 25755 2035 1 8 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.089 -0.426 25755 2036 1 8 . 1 1 45 45 ARG CA C 45 57.736 57.736 57.159 0.577 25755 2037 1 8 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.011 -0.621 25755 2038 1 8 . 1 1 45 45 ARG H H 45 8.335 8.335 8.057 0.278 25755 2039 1 8 . 1 1 46 46 ASN N N 46 118.207 118.207 117.574 0.633 25755 2040 1 8 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.028 -0.046 25755 2041 1 8 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.683 1.383 25755 2042 1 8 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.991 -0.698 25755 2043 1 8 . 1 1 46 46 ASN H H 46 8.745 8.745 9.043 -0.298 25755 2044 1 8 . 1 1 47 47 LEU N N 47 125.815 125.815 126.821 -1.006 25755 2045 1 8 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.011 0.268 25755 2046 1 8 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.176 0.114 25755 2047 1 8 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.380 1.926 25755 2048 1 8 . 1 1 47 47 LEU H H 47 8.509 8.509 8.766 -0.257 25755 2049 1 8 . 1 1 48 48 GLN N N 48 120.834 120.834 122.010 -1.176 25755 2050 1 8 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.653 0.083 25755 2051 1 8 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.131 -0.026 25755 2052 1 8 . 1 1 48 48 GLN CB C 48 32.866 32.866 32.998 -0.132 25755 2053 1 8 . 1 1 48 48 GLN H H 48 8.589 8.589 8.989 -0.400 25755 2054 1 8 . 1 1 49 49 CYS N N 49 121.829 121.829 122.582 -0.753 25755 2055 1 8 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.475 0.383 25755 2056 1 8 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.938 -3.983 25755 2057 1 8 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.386 13.059 25755 2058 1 8 . 1 1 49 49 CYS H H 49 9.247 9.247 8.986 0.261 25755 2059 1 8 . 1 1 50 50 ILE N N 50 129.010 129.010 128.392 0.618 25755 2060 1 8 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.295 0.091 25755 2061 1 8 . 1 1 50 50 ILE CA C 50 60.421 60.421 62.064 -1.643 25755 2062 1 8 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.725 -0.321 25755 2063 1 8 . 1 1 50 50 ILE H H 50 8.787 8.787 7.858 0.929 25755 2064 1 8 . 1 1 51 51 CYS N N 51 126.108 126.108 128.166 -2.058 25755 2065 1 8 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.634 0.703 25755 2066 1 8 . 1 1 51 51 CYS CA C 51 51.818 51.818 59.121 -7.303 25755 2067 1 8 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.451 6.531 25755 2068 1 8 . 1 1 51 51 CYS H H 51 8.556 8.556 9.177 -0.621 25755 2069 1 8 . 1 1 52 52 ASP N N 52 122.342 122.342 120.843 1.499 25755 2070 1 8 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.821 0.692 25755 2071 1 8 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.822 -1.239 25755 2072 1 8 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.301 0.530 25755 2073 1 8 . 1 1 52 52 ASP H H 52 8.826 8.826 8.600 0.226 25755 2074 1 8 . 1 1 53 53 TYR N N 53 125.370 125.370 123.277 2.093 25755 2075 1 8 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.636 -0.378 25755 2076 1 8 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.047 0.618 25755 2077 1 8 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.329 -0.546 25755 2078 1 8 . 1 1 53 53 TYR H H 53 9.734 9.734 8.705 1.029 25755 2079 1 8 . 1 1 54 54 CYS N N 54 120.418 120.418 121.357 -0.939 25755 2080 1 8 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.369 0.125 25755 2081 1 8 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.795 -4.652 25755 2082 1 8 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.644 15.738 25755 2083 1 8 . 1 1 54 54 CYS H H 54 9.478 9.478 8.889 0.589 25755 2084 1 8 . 1 1 55 55 GLU N N 55 121.097 121.097 119.208 1.889 25755 2085 1 8 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.361 -0.049 25755 2086 1 8 . 1 1 55 55 GLU CA C 55 56.010 56.010 55.300 0.710 25755 2087 1 8 . 1 1 55 55 GLU CB C 55 31.014 31.014 33.144 -2.130 25755 2088 1 8 . 1 1 55 55 GLU H H 55 8.423 8.423 7.749 0.674 25755 2089 1 9 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.810 -0.559 25755 2090 1 9 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.526 4.958 25755 2091 1 9 . 1 1 2 2 ASP CB C 2 39.412 39.412 41.861 -2.449 25755 2092 1 9 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.334 0.011 25755 2093 1 9 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.829 0.727 25755 2094 1 9 . 1 1 3 3 LYS CB C 3 32.593 32.593 33.143 -0.550 25755 2095 1 9 . 1 1 4 4 CYS N N 4 117.049 117.049 120.572 -3.523 25755 2096 1 9 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.835 -0.107 25755 2097 1 9 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.254 0.161 25755 2098 1 9 . 1 1 4 4 CYS CB C 4 41.843 41.843 28.965 12.878 25755 2099 1 9 . 1 1 4 4 CYS H H 4 8.486 8.486 8.385 0.101 25755 2100 1 9 . 1 1 5 5 LYS N N 5 118.790 118.790 120.993 -2.203 25755 2101 1 9 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.893 0.678 25755 2102 1 9 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.551 -0.261 25755 2103 1 9 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.215 -0.609 25755 2104 1 9 . 1 1 5 5 LYS H H 5 8.007 8.007 8.338 -0.332 25755 2105 1 9 . 1 1 6 6 LYS N N 6 121.177 121.177 120.667 0.510 25755 2106 1 9 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.645 0.140 25755 2107 1 9 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.056 -0.514 25755 2108 1 9 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.715 1.187 25755 2109 1 9 . 1 1 6 6 LYS H H 6 9.014 9.014 8.863 0.151 25755 2110 1 9 . 1 1 7 7 VAL N N 7 127.629 127.629 124.636 2.993 25755 2111 1 9 . 1 1 7 7 VAL HA H 7 4.026 4.026 3.964 0.062 25755 2112 1 9 . 1 1 7 7 VAL CA C 7 63.988 63.988 63.138 0.850 25755 2113 1 9 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.385 0.722 25755 2114 1 9 . 1 1 7 7 VAL H H 7 8.837 8.837 8.625 0.212 25755 2115 1 9 . 1 1 8 8 TYR N N 8 130.003 130.003 129.097 0.906 25755 2116 1 9 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.713 -0.254 25755 2117 1 9 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.211 0.509 25755 2118 1 9 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.733 -1.715 25755 2119 1 9 . 1 1 8 8 TYR H H 8 9.251 9.251 8.346 0.905 25755 2120 1 9 . 1 1 9 9 GLU N N 9 130.851 130.851 123.979 6.872 25755 2121 1 9 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.221 -0.017 25755 2122 1 9 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.700 -0.183 25755 2123 1 9 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.510 -0.119 25755 2124 1 9 . 1 1 9 9 GLU H H 9 9.072 9.072 8.376 0.696 25755 2125 1 9 . 1 1 10 10 ASN N N 10 116.120 116.120 117.897 -1.777 25755 2126 1 9 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.550 -0.112 25755 2127 1 9 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.985 1.602 25755 2128 1 9 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.447 -0.169 25755 2129 1 9 . 1 1 10 10 ASN H H 10 9.301 9.301 7.792 1.509 25755 2130 1 9 . 1 1 11 11 TYR N N 11 122.436 122.436 120.860 1.576 25755 2131 1 9 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.633 -0.439 25755 2132 1 9 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.427 2.185 25755 2133 1 9 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.862 -2.395 25755 2134 1 9 . 1 1 11 11 TYR H H 11 7.550 7.550 7.636 -0.086 25755 2135 1 9 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.517 -0.070 25755 2136 1 9 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.504 -0.006 25755 2137 1 9 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.603 -2.012 25755 2138 1 9 . 1 1 13 13 VAL N N 13 124.506 124.506 122.041 2.465 25755 2139 1 9 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.767 0.069 25755 2140 1 9 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.733 1.028 25755 2141 1 9 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.352 0.227 25755 2142 1 9 . 1 1 13 13 VAL H H 13 8.169 8.169 8.482 -0.313 25755 2143 1 9 . 1 1 14 14 SER N N 14 116.625 116.625 116.691 -0.066 25755 2144 1 9 . 1 1 14 14 SER HA H 14 4.206 4.206 4.202 0.004 25755 2145 1 9 . 1 1 14 14 SER CA C 14 61.194 61.194 61.781 -0.587 25755 2146 1 9 . 1 1 14 14 SER CB C 14 62.041 62.041 62.372 -0.331 25755 2147 1 9 . 1 1 14 14 SER H H 14 8.396 8.396 8.259 0.137 25755 2148 1 9 . 1 1 15 15 LYS N N 15 120.843 120.843 122.042 -1.199 25755 2149 1 9 . 1 1 15 15 LYS HA H 15 4.200 4.200 3.996 0.204 25755 2150 1 9 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.258 0.365 25755 2151 1 9 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.133 0.053 25755 2152 1 9 . 1 1 15 15 LYS H H 15 7.791 7.791 7.742 0.049 25755 2153 1 9 . 1 1 16 16 CYS N N 16 115.949 115.949 117.336 -1.387 25755 2154 1 9 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.504 0.389 25755 2155 1 9 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.177 -4.607 25755 2156 1 9 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.453 14.984 25755 2157 1 9 . 1 1 16 16 CYS H H 16 7.870 7.870 7.525 0.345 25755 2158 1 9 . 1 1 17 17 GLN N N 17 117.241 117.241 116.910 0.331 25755 2159 1 9 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.123 0.151 25755 2160 1 9 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.986 -0.049 25755 2161 1 9 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.705 0.482 25755 2162 1 9 . 1 1 17 17 GLN H H 17 7.560 7.560 7.694 -0.134 25755 2163 1 9 . 1 1 18 18 LEU N N 18 120.537 120.537 121.836 -1.299 25755 2164 1 9 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.208 0.232 25755 2165 1 9 . 1 1 18 18 LEU CA C 18 55.448 55.448 54.909 0.539 25755 2166 1 9 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.822 1.015 25755 2167 1 9 . 1 1 18 18 LEU H H 18 7.369 7.369 7.394 -0.025 25755 2168 1 9 . 1 1 19 19 ARG N N 19 121.697 121.697 121.388 0.309 25755 2169 1 9 . 1 1 19 19 ARG HA H 19 4.299 4.299 3.961 0.338 25755 2170 1 9 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.857 -1.021 25755 2171 1 9 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.202 0.190 25755 2172 1 9 . 1 1 19 19 ARG H H 19 8.447 8.447 7.877 0.570 25755 2173 1 9 . 1 1 20 20 ILE N N 20 116.439 116.439 119.056 -2.617 25755 2174 1 9 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.073 0.061 25755 2175 1 9 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.315 0.183 25755 2176 1 9 . 1 1 20 20 ILE CB C 20 38.164 38.164 37.162 1.002 25755 2177 1 9 . 1 1 20 20 ILE H H 20 7.758 7.758 7.800 -0.042 25755 2178 1 9 . 1 1 21 21 ALA N N 21 122.642 122.642 123.287 -0.645 25755 2179 1 9 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.482 -0.100 25755 2180 1 9 . 1 1 21 21 ALA CA C 21 52.395 52.395 50.844 1.551 25755 2181 1 9 . 1 1 21 21 ALA CB C 21 20.098 20.098 17.893 2.205 25755 2182 1 9 . 1 1 21 21 ALA H H 21 7.727 7.727 7.880 -0.153 25755 2183 1 9 . 1 1 22 22 ASN N N 22 116.616 116.616 120.895 -4.279 25755 2184 1 9 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.768 0.023 25755 2185 1 9 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.803 0.073 25755 2186 1 9 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.221 -0.667 25755 2187 1 9 . 1 1 22 22 ASN H H 22 8.307 8.307 8.445 -0.138 25755 2188 1 9 . 1 1 23 23 GLN N N 23 124.357 124.357 123.557 0.800 25755 2189 1 9 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.290 -0.272 25755 2190 1 9 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.599 1.049 25755 2191 1 9 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.718 0.681 25755 2192 1 9 . 1 1 23 23 GLN H H 23 8.542 8.542 8.256 0.286 25755 2193 1 9 . 1 1 24 24 CYS N N 24 118.909 118.909 119.046 -0.137 25755 2194 1 9 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.080 0.204 25755 2195 1 9 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.921 -4.515 25755 2196 1 9 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.996 11.780 25755 2197 1 9 . 1 1 24 24 CYS H H 24 8.352 8.352 8.522 -0.170 25755 2198 1 9 . 1 1 25 25 ASN N N 25 118.182 118.182 119.157 -0.975 25755 2199 1 9 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.351 -0.463 25755 2200 1 9 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.527 1.145 25755 2201 1 9 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.286 2.487 25755 2202 1 9 . 1 1 25 25 ASN H H 25 7.504 7.504 8.478 -0.974 25755 2203 1 9 . 1 1 26 26 TYR N N 26 117.354 117.354 119.226 -1.872 25755 2204 1 9 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.206 -0.241 25755 2205 1 9 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.645 0.517 25755 2206 1 9 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.825 -0.195 25755 2207 1 9 . 1 1 26 26 TYR H H 26 7.322 7.322 7.604 -0.282 25755 2208 1 9 . 1 1 27 27 ASP N N 27 119.874 119.874 120.191 -0.317 25755 2209 1 9 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.306 0.349 25755 2210 1 9 . 1 1 27 27 ASP CB C 27 40.590 40.590 41.082 -0.492 25755 2211 1 9 . 1 1 27 27 ASP H H 27 9.218 9.218 8.210 1.008 25755 2212 1 9 . 1 1 28 28 CYS N N 28 119.782 119.782 119.059 0.723 25755 2213 1 9 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.918 0.250 25755 2214 1 9 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.436 -1.522 25755 2215 1 9 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.258 10.687 25755 2216 1 9 . 1 1 28 28 CYS H H 28 9.171 9.171 8.376 0.795 25755 2217 1 9 . 1 1 29 29 LYS N N 29 119.663 119.663 119.155 0.508 25755 2218 1 9 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.998 0.139 25755 2219 1 9 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.121 0.660 25755 2220 1 9 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.854 0.559 25755 2221 1 9 . 1 1 29 29 LYS H H 29 7.546 7.546 7.500 0.046 25755 2222 1 9 . 1 1 30 30 LEU N N 30 119.987 119.987 120.805 -0.818 25755 2223 1 9 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.781 0.330 25755 2224 1 9 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.841 -0.169 25755 2225 1 9 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.148 0.231 25755 2226 1 9 . 1 1 30 30 LEU H H 30 8.226 8.226 7.639 0.587 25755 2227 1 9 . 1 1 31 31 ASP N N 31 116.853 116.853 115.790 1.063 25755 2228 1 9 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.570 -0.024 25755 2229 1 9 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.624 0.642 25755 2230 1 9 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.143 -0.665 25755 2231 1 9 . 1 1 31 31 ASP H H 31 9.019 9.019 7.710 1.309 25755 2232 1 9 . 1 1 32 32 LYS N N 32 112.075 112.075 118.044 -5.969 25755 2233 1 9 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.139 0.410 25755 2234 1 9 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.621 -4.156 25755 2235 1 9 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.612 -0.747 25755 2236 1 9 . 1 1 32 32 LYS H H 32 6.639 6.639 8.210 -1.571 25755 2237 1 9 . 1 1 33 33 HIS N N 33 112.955 112.955 114.793 -1.838 25755 2238 1 9 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.172 0.451 25755 2239 1 9 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.239 1.247 25755 2240 1 9 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.418 -2.724 25755 2241 1 9 . 1 1 33 33 HIS H H 33 7.065 7.065 8.081 -1.016 25755 2242 1 9 . 1 1 34 34 ALA N N 34 120.177 120.177 119.360 0.817 25755 2243 1 9 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.734 0.415 25755 2244 1 9 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.480 -1.701 25755 2245 1 9 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.624 -0.506 25755 2246 1 9 . 1 1 34 34 ALA H H 34 7.716 7.716 7.164 0.552 25755 2247 1 9 . 1 1 35 35 ARG N N 35 116.636 116.636 117.402 -0.766 25755 2248 1 9 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.073 0.133 25755 2249 1 9 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.898 -1.822 25755 2250 1 9 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.699 0.018 25755 2251 1 9 . 1 1 35 35 ARG H H 35 8.295 8.295 7.959 0.336 25755 2252 1 9 . 1 1 36 36 SER N N 36 109.273 109.273 110.682 -1.409 25755 2253 1 9 . 1 1 36 36 SER HA H 36 4.646 4.646 4.566 0.080 25755 2254 1 9 . 1 1 36 36 SER CA C 36 57.703 57.703 57.800 -0.097 25755 2255 1 9 . 1 1 36 36 SER CB C 36 65.425 65.425 64.919 0.506 25755 2256 1 9 . 1 1 36 36 SER H H 36 8.026 8.026 7.951 0.075 25755 2257 1 9 . 1 1 37 37 GLY N N 37 107.305 107.305 110.727 -3.422 25755 2258 1 9 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.889 2.263 25755 2259 1 9 . 1 1 37 37 GLY H H 37 8.679 8.679 8.022 0.657 25755 2260 1 9 . 1 1 38 38 GLU N N 38 119.065 119.065 122.330 -3.265 25755 2261 1 9 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.579 -0.177 25755 2262 1 9 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.761 1.012 25755 2263 1 9 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.945 -2.123 25755 2264 1 9 . 1 1 38 38 GLU H H 38 8.351 8.351 8.895 -0.544 25755 2265 1 9 . 1 1 39 39 CYS N N 39 121.636 121.636 118.117 3.519 25755 2266 1 9 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.162 0.825 25755 2267 1 9 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.695 -0.967 25755 2268 1 9 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.213 16.806 25755 2269 1 9 . 1 1 39 39 CYS H H 39 8.839 8.839 8.292 0.547 25755 2270 1 9 . 1 1 40 40 PHE N N 40 121.987 121.987 120.850 1.137 25755 2271 1 9 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.885 -0.115 25755 2272 1 9 . 1 1 40 40 PHE CA C 40 56.969 56.969 55.862 1.107 25755 2273 1 9 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.780 0.980 25755 2274 1 9 . 1 1 40 40 PHE H H 40 9.214 9.214 8.731 0.483 25755 2275 1 9 . 1 1 41 41 TYR N N 41 121.905 121.905 119.000 2.905 25755 2276 1 9 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.562 0.398 25755 2277 1 9 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.323 -0.791 25755 2278 1 9 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.202 1.100 25755 2279 1 9 . 1 1 41 41 TYR H H 41 8.557 8.557 8.755 -0.198 25755 2280 1 9 . 1 1 42 42 ASP N N 42 123.133 123.133 121.457 1.676 25755 2281 1 9 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.869 -0.116 25755 2282 1 9 . 1 1 42 42 ASP CA C 42 52.426 52.426 53.126 -0.700 25755 2283 1 9 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.908 -1.288 25755 2284 1 9 . 1 1 42 42 ASP H H 42 8.603 8.603 8.368 0.235 25755 2285 1 9 . 1 1 43 43 GLU N N 43 118.012 118.012 118.924 -0.912 25755 2286 1 9 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.183 0.026 25755 2287 1 9 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.538 0.327 25755 2288 1 9 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.645 -0.408 25755 2289 1 9 . 1 1 43 43 GLU H H 43 9.081 9.081 8.715 0.366 25755 2290 1 9 . 1 1 44 44 LYS N N 44 120.047 120.047 117.421 2.626 25755 2291 1 9 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.400 0.044 25755 2292 1 9 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.617 0.043 25755 2293 1 9 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.357 -0.318 25755 2294 1 9 . 1 1 44 44 LYS H H 44 8.162 8.162 8.083 0.079 25755 2295 1 9 . 1 1 45 45 ARG N N 45 113.453 113.453 116.583 -3.130 25755 2296 1 9 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.139 -0.476 25755 2297 1 9 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.746 0.990 25755 2298 1 9 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.636 -1.246 25755 2299 1 9 . 1 1 45 45 ARG H H 45 8.335 8.335 7.751 0.584 25755 2300 1 9 . 1 1 46 46 ASN N N 46 118.207 118.207 117.136 1.071 25755 2301 1 9 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.950 0.032 25755 2302 1 9 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.831 1.235 25755 2303 1 9 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.089 0.204 25755 2304 1 9 . 1 1 46 46 ASN H H 46 8.745 8.745 8.298 0.447 25755 2305 1 9 . 1 1 47 47 LEU N N 47 125.815 125.815 127.189 -1.374 25755 2306 1 9 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.011 0.268 25755 2307 1 9 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.260 0.030 25755 2308 1 9 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.630 1.676 25755 2309 1 9 . 1 1 47 47 LEU H H 47 8.509 8.509 8.870 -0.361 25755 2310 1 9 . 1 1 48 48 GLN N N 48 120.834 120.834 121.937 -1.103 25755 2311 1 9 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.714 0.022 25755 2312 1 9 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.567 0.538 25755 2313 1 9 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.729 -0.863 25755 2314 1 9 . 1 1 48 48 GLN H H 48 8.589 8.589 8.877 -0.288 25755 2315 1 9 . 1 1 49 49 CYS N N 49 121.829 121.829 123.517 -1.688 25755 2316 1 9 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.603 0.255 25755 2317 1 9 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.823 -3.868 25755 2318 1 9 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.612 12.833 25755 2319 1 9 . 1 1 49 49 CYS H H 49 9.247 9.247 9.057 0.190 25755 2320 1 9 . 1 1 50 50 ILE N N 50 129.010 129.010 130.184 -1.174 25755 2321 1 9 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.472 -0.086 25755 2322 1 9 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.944 -1.523 25755 2323 1 9 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.016 -0.612 25755 2324 1 9 . 1 1 50 50 ILE H H 50 8.787 8.787 7.967 0.820 25755 2325 1 9 . 1 1 51 51 CYS N N 51 126.108 126.108 127.556 -1.448 25755 2326 1 9 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.646 0.691 25755 2327 1 9 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.476 -6.658 25755 2328 1 9 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.684 6.298 25755 2329 1 9 . 1 1 51 51 CYS H H 51 8.556 8.556 9.347 -0.791 25755 2330 1 9 . 1 1 52 52 ASP N N 52 122.342 122.342 120.688 1.654 25755 2331 1 9 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.979 0.534 25755 2332 1 9 . 1 1 52 52 ASP CA C 52 52.583 52.583 54.179 -1.596 25755 2333 1 9 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.988 -0.157 25755 2334 1 9 . 1 1 52 52 ASP H H 52 8.826 8.826 8.504 0.322 25755 2335 1 9 . 1 1 53 53 TYR N N 53 125.370 125.370 123.517 1.853 25755 2336 1 9 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.588 -0.330 25755 2337 1 9 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.070 0.595 25755 2338 1 9 . 1 1 53 53 TYR CB C 53 38.783 38.783 38.959 -0.176 25755 2339 1 9 . 1 1 53 53 TYR H H 53 9.734 9.734 8.745 0.989 25755 2340 1 9 . 1 1 54 54 CYS N N 54 120.418 120.418 120.679 -0.261 25755 2341 1 9 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.433 0.061 25755 2342 1 9 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.701 -4.558 25755 2343 1 9 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.386 14.996 25755 2344 1 9 . 1 1 54 54 CYS H H 54 9.478 9.478 8.882 0.596 25755 2345 1 9 . 1 1 55 55 GLU N N 55 121.097 121.097 118.431 2.666 25755 2346 1 9 . 1 1 55 55 GLU HA H 55 4.312 4.312 3.996 0.316 25755 2347 1 9 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.245 -1.235 25755 2348 1 9 . 1 1 55 55 GLU CB C 55 31.014 31.014 29.879 1.135 25755 2349 1 9 . 1 1 55 55 GLU H H 55 8.423 8.423 7.978 0.445 25755 2350 1 10 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.327 -0.076 25755 2351 1 10 . 1 1 2 2 ASP CA C 2 59.484 59.484 55.286 4.198 25755 2352 1 10 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.635 -1.223 25755 2353 1 10 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.278 0.067 25755 2354 1 10 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.655 0.901 25755 2355 1 10 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.424 0.169 25755 2356 1 10 . 1 1 4 4 CYS N N 4 117.049 117.049 118.781 -1.732 25755 2357 1 10 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.865 -0.137 25755 2358 1 10 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.148 0.267 25755 2359 1 10 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.206 12.637 25755 2360 1 10 . 1 1 4 4 CYS H H 4 8.486 8.486 7.753 0.733 25755 2361 1 10 . 1 1 5 5 LYS N N 5 118.790 118.790 121.440 -2.650 25755 2362 1 10 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.892 0.679 25755 2363 1 10 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.805 -0.515 25755 2364 1 10 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.836 -0.230 25755 2365 1 10 . 1 1 5 5 LYS H H 5 8.007 8.007 8.255 -0.248 25755 2366 1 10 . 1 1 6 6 LYS N N 6 121.177 121.177 120.848 0.329 25755 2367 1 10 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.549 0.236 25755 2368 1 10 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.874 -0.332 25755 2369 1 10 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.263 1.639 25755 2370 1 10 . 1 1 6 6 LYS H H 6 9.014 9.014 8.766 0.248 25755 2371 1 10 . 1 1 7 7 VAL N N 7 127.629 127.629 124.391 3.238 25755 2372 1 10 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.104 -0.078 25755 2373 1 10 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.959 1.029 25755 2374 1 10 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.142 0.965 25755 2375 1 10 . 1 1 7 7 VAL H H 7 8.837 8.837 8.619 0.218 25755 2376 1 10 . 1 1 8 8 TYR N N 8 130.003 130.003 128.701 1.302 25755 2377 1 10 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.682 -0.223 25755 2378 1 10 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.024 0.696 25755 2379 1 10 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.111 -1.093 25755 2380 1 10 . 1 1 8 8 TYR H H 8 9.251 9.251 8.367 0.884 25755 2381 1 10 . 1 1 9 9 GLU N N 9 130.851 130.851 123.204 7.647 25755 2382 1 10 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.388 -0.184 25755 2383 1 10 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.910 -0.393 25755 2384 1 10 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.686 -0.295 25755 2385 1 10 . 1 1 9 9 GLU H H 9 9.072 9.072 8.260 0.812 25755 2386 1 10 . 1 1 10 10 ASN N N 10 116.120 116.120 118.010 -1.890 25755 2387 1 10 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.792 -0.354 25755 2388 1 10 . 1 1 10 10 ASN CA C 10 54.587 54.587 53.297 1.290 25755 2389 1 10 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.742 -0.464 25755 2390 1 10 . 1 1 10 10 ASN H H 10 9.301 9.301 8.585 0.716 25755 2391 1 10 . 1 1 11 11 TYR N N 11 122.436 122.436 119.593 2.843 25755 2392 1 10 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.459 -0.265 25755 2393 1 10 . 1 1 11 11 TYR CA C 11 57.612 57.612 54.758 2.854 25755 2394 1 10 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.392 -1.925 25755 2395 1 10 . 1 1 11 11 TYR H H 11 7.550 7.550 7.529 0.021 25755 2396 1 10 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.538 -0.091 25755 2397 1 10 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.477 0.021 25755 2398 1 10 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.507 -1.916 25755 2399 1 10 . 1 1 13 13 VAL N N 13 124.506 124.506 121.903 2.603 25755 2400 1 10 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.818 0.018 25755 2401 1 10 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.467 1.294 25755 2402 1 10 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.416 0.164 25755 2403 1 10 . 1 1 13 13 VAL H H 13 8.169 8.169 8.442 -0.273 25755 2404 1 10 . 1 1 14 14 SER N N 14 116.625 116.625 116.393 0.232 25755 2405 1 10 . 1 1 14 14 SER HA H 14 4.206 4.206 4.173 0.033 25755 2406 1 10 . 1 1 14 14 SER CA C 14 61.194 61.194 62.111 -0.917 25755 2407 1 10 . 1 1 14 14 SER CB C 14 62.041 62.041 62.555 -0.514 25755 2408 1 10 . 1 1 14 14 SER H H 14 8.396 8.396 8.295 0.101 25755 2409 1 10 . 1 1 15 15 LYS N N 15 120.843 120.843 121.639 -0.796 25755 2410 1 10 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.007 0.193 25755 2411 1 10 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.359 0.264 25755 2412 1 10 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.163 0.023 25755 2413 1 10 . 1 1 15 15 LYS H H 15 7.791 7.791 7.737 0.054 25755 2414 1 10 . 1 1 16 16 CYS N N 16 115.949 115.949 116.352 -0.403 25755 2415 1 10 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.523 0.370 25755 2416 1 10 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.805 -4.235 25755 2417 1 10 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.400 15.037 25755 2418 1 10 . 1 1 16 16 CYS H H 16 7.870 7.870 7.587 0.283 25755 2419 1 10 . 1 1 17 17 GLN N N 17 117.241 117.241 116.888 0.353 25755 2420 1 10 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.207 0.067 25755 2421 1 10 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.487 0.450 25755 2422 1 10 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.884 0.302 25755 2423 1 10 . 1 1 17 17 GLN H H 17 7.560 7.560 7.615 -0.055 25755 2424 1 10 . 1 1 18 18 LEU N N 18 120.537 120.537 122.119 -1.582 25755 2425 1 10 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.195 0.245 25755 2426 1 10 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.099 0.349 25755 2427 1 10 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.860 0.977 25755 2428 1 10 . 1 1 18 18 LEU H H 18 7.369 7.369 7.521 -0.152 25755 2429 1 10 . 1 1 19 19 ARG N N 19 121.697 121.697 122.948 -1.251 25755 2430 1 10 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.019 0.280 25755 2431 1 10 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.706 -0.870 25755 2432 1 10 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.103 0.289 25755 2433 1 10 . 1 1 19 19 ARG H H 19 8.447 8.447 8.091 0.356 25755 2434 1 10 . 1 1 20 20 ILE N N 20 116.439 116.439 116.221 0.218 25755 2435 1 10 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.061 0.073 25755 2436 1 10 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.392 0.105 25755 2437 1 10 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.169 -0.005 25755 2438 1 10 . 1 1 20 20 ILE H H 20 7.758 7.758 7.777 -0.019 25755 2439 1 10 . 1 1 21 21 ALA N N 21 122.642 122.642 122.813 -0.171 25755 2440 1 10 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.583 -0.201 25755 2441 1 10 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.639 0.756 25755 2442 1 10 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.832 0.266 25755 2443 1 10 . 1 1 21 21 ALA H H 21 7.727 7.727 7.363 0.364 25755 2444 1 10 . 1 1 22 22 ASN N N 22 116.616 116.616 121.754 -5.138 25755 2445 1 10 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.693 0.098 25755 2446 1 10 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.264 0.613 25755 2447 1 10 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.758 -0.204 25755 2448 1 10 . 1 1 22 22 ASN H H 22 8.307 8.307 8.600 -0.293 25755 2449 1 10 . 1 1 23 23 GLN N N 23 124.357 124.357 122.834 1.523 25755 2450 1 10 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.291 -0.273 25755 2451 1 10 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.672 0.976 25755 2452 1 10 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.289 1.110 25755 2453 1 10 . 1 1 23 23 GLN H H 23 8.542 8.542 8.221 0.321 25755 2454 1 10 . 1 1 24 24 CYS N N 24 118.909 118.909 119.716 -0.807 25755 2455 1 10 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.146 0.138 25755 2456 1 10 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.951 -4.545 25755 2457 1 10 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.613 12.163 25755 2458 1 10 . 1 1 24 24 CYS H H 24 8.352 8.352 8.370 -0.018 25755 2459 1 10 . 1 1 25 25 ASN N N 25 118.182 118.182 118.659 -0.477 25755 2460 1 10 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.436 -0.548 25755 2461 1 10 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.394 1.278 25755 2462 1 10 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.614 2.159 25755 2463 1 10 . 1 1 25 25 ASN H H 25 7.504 7.504 8.316 -0.812 25755 2464 1 10 . 1 1 26 26 TYR N N 26 117.354 117.354 119.913 -2.559 25755 2465 1 10 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.191 -0.226 25755 2466 1 10 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.734 0.428 25755 2467 1 10 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.846 -0.216 25755 2468 1 10 . 1 1 26 26 TYR H H 26 7.322 7.322 7.587 -0.265 25755 2469 1 10 . 1 1 27 27 ASP N N 27 119.874 119.874 120.070 -0.196 25755 2470 1 10 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.387 0.268 25755 2471 1 10 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.747 -0.157 25755 2472 1 10 . 1 1 27 27 ASP H H 27 9.218 9.218 8.420 0.798 25755 2473 1 10 . 1 1 28 28 CYS N N 28 119.782 119.782 119.089 0.693 25755 2474 1 10 . 1 1 28 28 CYS HA H 28 4.168 4.168 4.074 0.094 25755 2475 1 10 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.847 -1.933 25755 2476 1 10 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.347 10.598 25755 2477 1 10 . 1 1 28 28 CYS H H 28 9.171 9.171 8.451 0.720 25755 2478 1 10 . 1 1 29 29 LYS N N 29 119.663 119.663 118.897 0.766 25755 2479 1 10 . 1 1 29 29 LYS HA H 29 4.137 4.137 4.014 0.123 25755 2480 1 10 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.018 0.763 25755 2481 1 10 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.900 0.513 25755 2482 1 10 . 1 1 29 29 LYS H H 29 7.546 7.546 7.492 0.054 25755 2483 1 10 . 1 1 30 30 LEU N N 30 119.987 119.987 121.047 -1.060 25755 2484 1 10 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.876 0.235 25755 2485 1 10 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.791 -0.119 25755 2486 1 10 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.305 0.074 25755 2487 1 10 . 1 1 30 30 LEU H H 30 8.226 8.226 7.765 0.461 25755 2488 1 10 . 1 1 31 31 ASP N N 31 116.853 116.853 116.205 0.648 25755 2489 1 10 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.523 0.023 25755 2490 1 10 . 1 1 31 31 ASP CA C 31 56.266 56.266 56.075 0.191 25755 2491 1 10 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.765 -1.287 25755 2492 1 10 . 1 1 31 31 ASP H H 31 9.019 9.019 7.908 1.111 25755 2493 1 10 . 1 1 32 32 LYS N N 32 112.075 112.075 118.785 -6.710 25755 2494 1 10 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.189 0.360 25755 2495 1 10 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.565 -4.100 25755 2496 1 10 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.579 -0.714 25755 2497 1 10 . 1 1 32 32 LYS H H 32 6.639 6.639 8.342 -1.703 25755 2498 1 10 . 1 1 33 33 HIS N N 33 112.955 112.955 114.324 -1.369 25755 2499 1 10 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.282 0.341 25755 2500 1 10 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.557 -0.071 25755 2501 1 10 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.508 -1.814 25755 2502 1 10 . 1 1 33 33 HIS H H 33 7.065 7.065 8.061 -0.996 25755 2503 1 10 . 1 1 34 34 ALA N N 34 120.177 120.177 119.744 0.433 25755 2504 1 10 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.814 0.335 25755 2505 1 10 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.382 -1.603 25755 2506 1 10 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.650 -0.532 25755 2507 1 10 . 1 1 34 34 ALA H H 34 7.716 7.716 7.106 0.610 25755 2508 1 10 . 1 1 35 35 ARG N N 35 116.636 116.636 116.840 -0.204 25755 2509 1 10 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.161 0.045 25755 2510 1 10 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.650 -1.574 25755 2511 1 10 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.997 -0.280 25755 2512 1 10 . 1 1 35 35 ARG H H 35 8.295 8.295 8.342 -0.047 25755 2513 1 10 . 1 1 36 36 SER N N 36 109.273 109.273 110.779 -1.506 25755 2514 1 10 . 1 1 36 36 SER HA H 36 4.646 4.646 4.532 0.114 25755 2515 1 10 . 1 1 36 36 SER CA C 36 57.703 57.703 58.367 -0.664 25755 2516 1 10 . 1 1 36 36 SER CB C 36 65.425 65.425 66.566 -1.141 25755 2517 1 10 . 1 1 36 36 SER H H 36 8.026 8.026 8.837 -0.811 25755 2518 1 10 . 1 1 37 37 GLY N N 37 107.305 107.305 109.748 -2.443 25755 2519 1 10 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.884 2.268 25755 2520 1 10 . 1 1 37 37 GLY H H 37 8.679 8.679 8.541 0.138 25755 2521 1 10 . 1 1 38 38 GLU N N 38 119.065 119.065 121.725 -2.660 25755 2522 1 10 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.806 -0.404 25755 2523 1 10 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.753 1.020 25755 2524 1 10 . 1 1 38 38 GLU CB C 38 32.822 32.822 35.135 -2.313 25755 2525 1 10 . 1 1 38 38 GLU H H 38 8.351 8.351 8.729 -0.378 25755 2526 1 10 . 1 1 39 39 CYS N N 39 121.636 121.636 118.078 3.558 25755 2527 1 10 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.277 0.710 25755 2528 1 10 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.580 -0.852 25755 2529 1 10 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.603 16.416 25755 2530 1 10 . 1 1 39 39 CYS H H 39 8.839 8.839 8.297 0.542 25755 2531 1 10 . 1 1 40 40 PHE N N 40 121.987 121.987 120.774 1.213 25755 2532 1 10 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.904 -0.134 25755 2533 1 10 . 1 1 40 40 PHE CA C 40 56.969 56.969 55.855 1.114 25755 2534 1 10 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.840 0.920 25755 2535 1 10 . 1 1 40 40 PHE H H 40 9.214 9.214 8.725 0.489 25755 2536 1 10 . 1 1 41 41 TYR N N 41 121.905 121.905 118.800 3.105 25755 2537 1 10 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.564 0.397 25755 2538 1 10 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.229 -0.697 25755 2539 1 10 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.249 1.053 25755 2540 1 10 . 1 1 41 41 TYR H H 41 8.557 8.557 8.750 -0.193 25755 2541 1 10 . 1 1 42 42 ASP N N 42 123.133 123.133 121.235 1.898 25755 2542 1 10 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.840 -0.087 25755 2543 1 10 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.740 -0.314 25755 2544 1 10 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.782 -1.162 25755 2545 1 10 . 1 1 42 42 ASP H H 42 8.603 8.603 8.375 0.228 25755 2546 1 10 . 1 1 43 43 GLU N N 43 118.012 118.012 118.820 -0.808 25755 2547 1 10 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.185 0.024 25755 2548 1 10 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.408 0.457 25755 2549 1 10 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.689 -0.452 25755 2550 1 10 . 1 1 43 43 GLU H H 43 9.081 9.081 8.723 0.358 25755 2551 1 10 . 1 1 44 44 LYS N N 44 120.047 120.047 117.044 3.003 25755 2552 1 10 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.405 0.039 25755 2553 1 10 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.493 0.168 25755 2554 1 10 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.433 -0.394 25755 2555 1 10 . 1 1 44 44 LYS H H 44 8.162 8.162 8.061 0.101 25755 2556 1 10 . 1 1 45 45 ARG N N 45 113.453 113.453 116.593 -3.140 25755 2557 1 10 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.137 -0.474 25755 2558 1 10 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.766 0.970 25755 2559 1 10 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.640 -1.250 25755 2560 1 10 . 1 1 45 45 ARG H H 45 8.335 8.335 7.738 0.597 25755 2561 1 10 . 1 1 46 46 ASN N N 46 118.207 118.207 117.124 1.083 25755 2562 1 10 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.954 0.028 25755 2563 1 10 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.824 1.242 25755 2564 1 10 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.109 0.184 25755 2565 1 10 . 1 1 46 46 ASN H H 46 8.745 8.745 8.298 0.447 25755 2566 1 10 . 1 1 47 47 LEU N N 47 125.815 125.815 127.083 -1.268 25755 2567 1 10 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.029 0.250 25755 2568 1 10 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.297 -0.007 25755 2569 1 10 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.744 1.562 25755 2570 1 10 . 1 1 47 47 LEU H H 47 8.509 8.509 8.880 -0.371 25755 2571 1 10 . 1 1 48 48 GLN N N 48 120.834 120.834 121.942 -1.108 25755 2572 1 10 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.697 0.039 25755 2573 1 10 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.863 0.242 25755 2574 1 10 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.608 -0.742 25755 2575 1 10 . 1 1 48 48 GLN H H 48 8.589 8.589 9.040 -0.451 25755 2576 1 10 . 1 1 49 49 CYS N N 49 121.829 121.829 123.078 -1.249 25755 2577 1 10 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.600 0.258 25755 2578 1 10 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.987 -4.032 25755 2579 1 10 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.708 12.737 25755 2580 1 10 . 1 1 49 49 CYS H H 49 9.247 9.247 9.089 0.158 25755 2581 1 10 . 1 1 50 50 ILE N N 50 129.010 129.010 130.382 -1.372 25755 2582 1 10 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.618 -0.232 25755 2583 1 10 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.366 -0.945 25755 2584 1 10 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.343 -0.939 25755 2585 1 10 . 1 1 50 50 ILE H H 50 8.787 8.787 8.414 0.373 25755 2586 1 10 . 1 1 51 51 CYS N N 51 126.108 126.108 127.178 -1.070 25755 2587 1 10 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.687 0.650 25755 2588 1 10 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.079 -6.261 25755 2589 1 10 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.525 6.457 25755 2590 1 10 . 1 1 51 51 CYS H H 51 8.556 8.556 9.308 -0.752 25755 2591 1 10 . 1 1 52 52 ASP N N 52 122.342 122.342 119.052 3.290 25755 2592 1 10 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.815 0.698 25755 2593 1 10 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.126 -0.543 25755 2594 1 10 . 1 1 52 52 ASP CB C 52 42.831 42.831 41.152 1.679 25755 2595 1 10 . 1 1 52 52 ASP H H 52 8.826 8.826 8.587 0.239 25755 2596 1 10 . 1 1 53 53 TYR N N 53 125.370 125.370 122.159 3.211 25755 2597 1 10 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.692 -0.434 25755 2598 1 10 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.200 0.465 25755 2599 1 10 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.143 -0.360 25755 2600 1 10 . 1 1 53 53 TYR H H 53 9.734 9.734 8.580 1.154 25755 2601 1 10 . 1 1 54 54 CYS N N 54 120.418 120.418 121.215 -0.797 25755 2602 1 10 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.481 0.013 25755 2603 1 10 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.643 -4.500 25755 2604 1 10 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.949 15.433 25755 2605 1 10 . 1 1 54 54 CYS H H 54 9.478 9.478 8.943 0.535 25755 2606 1 10 . 1 1 55 55 GLU N N 55 121.097 121.097 119.723 1.374 25755 2607 1 10 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.794 -0.482 25755 2608 1 10 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.092 -0.082 25755 2609 1 10 . 1 1 55 55 GLU CB C 55 31.014 31.014 32.002 -0.988 25755 2610 1 10 . 1 1 55 55 GLU H H 55 8.423 8.423 8.271 0.152 25755 2611 1 11 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.769 -0.518 25755 2612 1 11 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.217 5.267 25755 2613 1 11 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.584 -1.171 25755 2614 1 11 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.359 -0.014 25755 2615 1 11 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.334 1.222 25755 2616 1 11 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.174 0.419 25755 2617 1 11 . 1 1 4 4 CYS N N 4 117.049 117.049 118.314 -1.265 25755 2618 1 11 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.888 -0.160 25755 2619 1 11 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.895 0.520 25755 2620 1 11 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.593 12.250 25755 2621 1 11 . 1 1 4 4 CYS H H 4 8.486 8.486 7.949 0.537 25755 2622 1 11 . 1 1 5 5 LYS N N 5 118.790 118.790 121.448 -2.658 25755 2623 1 11 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.893 0.678 25755 2624 1 11 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.786 -0.496 25755 2625 1 11 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.843 -0.237 25755 2626 1 11 . 1 1 5 5 LYS H H 5 8.007 8.007 8.253 -0.246 25755 2627 1 11 . 1 1 6 6 LYS N N 6 121.177 121.177 120.405 0.772 25755 2628 1 11 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.528 0.257 25755 2629 1 11 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.026 -0.484 25755 2630 1 11 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.419 1.483 25755 2631 1 11 . 1 1 6 6 LYS H H 6 9.014 9.014 8.743 0.271 25755 2632 1 11 . 1 1 7 7 VAL N N 7 127.629 127.629 124.509 3.120 25755 2633 1 11 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.164 -0.138 25755 2634 1 11 . 1 1 7 7 VAL CA C 7 63.988 63.988 61.773 2.215 25755 2635 1 11 . 1 1 7 7 VAL CB C 7 33.107 33.107 33.066 0.041 25755 2636 1 11 . 1 1 7 7 VAL H H 7 8.837 8.837 8.535 0.302 25755 2637 1 11 . 1 1 8 8 TYR N N 8 130.003 130.003 128.869 1.134 25755 2638 1 11 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.732 -0.273 25755 2639 1 11 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.448 0.272 25755 2640 1 11 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.012 -1.994 25755 2641 1 11 . 1 1 8 8 TYR H H 8 9.251 9.251 8.267 0.984 25755 2642 1 11 . 1 1 9 9 GLU N N 9 130.851 130.851 125.287 5.564 25755 2643 1 11 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.152 0.052 25755 2644 1 11 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.924 -0.407 25755 2645 1 11 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.712 -0.321 25755 2646 1 11 . 1 1 9 9 GLU H H 9 9.072 9.072 8.545 0.527 25755 2647 1 11 . 1 1 10 10 ASN N N 10 116.120 116.120 117.567 -1.447 25755 2648 1 11 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.899 -0.461 25755 2649 1 11 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.968 1.619 25755 2650 1 11 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.927 -0.649 25755 2651 1 11 . 1 1 10 10 ASN H H 10 9.301 9.301 8.421 0.880 25755 2652 1 11 . 1 1 11 11 TYR N N 11 122.436 122.436 121.797 0.639 25755 2653 1 11 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.481 -0.287 25755 2654 1 11 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.464 2.148 25755 2655 1 11 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.467 -2.000 25755 2656 1 11 . 1 1 11 11 TYR H H 11 7.550 7.550 7.552 -0.002 25755 2657 1 11 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.533 -0.086 25755 2658 1 11 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.573 -0.075 25755 2659 1 11 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.331 -1.740 25755 2660 1 11 . 1 1 13 13 VAL N N 13 124.506 124.506 122.367 2.139 25755 2661 1 11 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.943 -0.107 25755 2662 1 11 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.436 1.325 25755 2663 1 11 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.472 0.108 25755 2664 1 11 . 1 1 13 13 VAL H H 13 8.169 8.169 8.428 -0.259 25755 2665 1 11 . 1 1 14 14 SER N N 14 116.625 116.625 117.087 -0.462 25755 2666 1 11 . 1 1 14 14 SER HA H 14 4.206 4.206 4.364 -0.158 25755 2667 1 11 . 1 1 14 14 SER CA C 14 61.194 61.194 61.813 -0.619 25755 2668 1 11 . 1 1 14 14 SER CB C 14 62.041 62.041 62.828 -0.787 25755 2669 1 11 . 1 1 14 14 SER H H 14 8.396 8.396 8.140 0.256 25755 2670 1 11 . 1 1 15 15 LYS N N 15 120.843 120.843 120.969 -0.126 25755 2671 1 11 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.026 0.174 25755 2672 1 11 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.053 0.570 25755 2673 1 11 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.123 0.063 25755 2674 1 11 . 1 1 15 15 LYS H H 15 7.791 7.791 7.976 -0.185 25755 2675 1 11 . 1 1 16 16 CYS N N 16 115.949 115.949 116.592 -0.643 25755 2676 1 11 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.365 0.528 25755 2677 1 11 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.581 -4.011 25755 2678 1 11 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.678 14.759 25755 2679 1 11 . 1 1 16 16 CYS H H 16 7.870 7.870 7.645 0.225 25755 2680 1 11 . 1 1 17 17 GLN N N 17 117.241 117.241 117.480 -0.239 25755 2681 1 11 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.114 0.160 25755 2682 1 11 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.091 -0.154 25755 2683 1 11 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.696 0.491 25755 2684 1 11 . 1 1 17 17 GLN H H 17 7.560 7.560 7.749 -0.189 25755 2685 1 11 . 1 1 18 18 LEU N N 18 120.537 120.537 121.258 -0.721 25755 2686 1 11 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.131 0.309 25755 2687 1 11 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.181 0.267 25755 2688 1 11 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.029 0.809 25755 2689 1 11 . 1 1 18 18 LEU H H 18 7.369 7.369 7.424 -0.055 25755 2690 1 11 . 1 1 19 19 ARG N N 19 121.697 121.697 123.455 -1.758 25755 2691 1 11 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.024 0.275 25755 2692 1 11 . 1 1 19 19 ARG CA C 19 57.836 57.836 59.032 -1.196 25755 2693 1 11 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.324 0.068 25755 2694 1 11 . 1 1 19 19 ARG H H 19 8.447 8.447 7.967 0.480 25755 2695 1 11 . 1 1 20 20 ILE N N 20 116.439 116.439 116.482 -0.043 25755 2696 1 11 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.020 0.114 25755 2697 1 11 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.394 0.103 25755 2698 1 11 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.183 -0.019 25755 2699 1 11 . 1 1 20 20 ILE H H 20 7.758 7.758 7.783 -0.025 25755 2700 1 11 . 1 1 21 21 ALA N N 21 122.642 122.642 122.807 -0.165 25755 2701 1 11 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.544 -0.162 25755 2702 1 11 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.560 0.835 25755 2703 1 11 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.772 0.326 25755 2704 1 11 . 1 1 21 21 ALA H H 21 7.727 7.727 7.244 0.483 25755 2705 1 11 . 1 1 22 22 ASN N N 22 116.616 116.616 121.359 -4.743 25755 2706 1 11 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.688 0.103 25755 2707 1 11 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.385 0.492 25755 2708 1 11 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.993 -0.439 25755 2709 1 11 . 1 1 22 22 ASN H H 22 8.307 8.307 8.550 -0.243 25755 2710 1 11 . 1 1 23 23 GLN N N 23 124.357 124.357 122.776 1.581 25755 2711 1 11 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.321 -0.303 25755 2712 1 11 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.357 1.291 25755 2713 1 11 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.316 1.083 25755 2714 1 11 . 1 1 23 23 GLN H H 23 8.542 8.542 8.132 0.410 25755 2715 1 11 . 1 1 24 24 CYS N N 24 118.909 118.909 118.981 -0.072 25755 2716 1 11 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.076 0.208 25755 2717 1 11 . 1 1 24 24 CYS CA C 24 58.406 58.406 63.111 -4.705 25755 2718 1 11 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.467 12.309 25755 2719 1 11 . 1 1 24 24 CYS H H 24 8.352 8.352 8.605 -0.253 25755 2720 1 11 . 1 1 25 25 ASN N N 25 118.182 118.182 118.254 -0.072 25755 2721 1 11 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.318 -0.430 25755 2722 1 11 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.848 0.824 25755 2723 1 11 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.574 2.199 25755 2724 1 11 . 1 1 25 25 ASN H H 25 7.504 7.504 8.411 -0.907 25755 2725 1 11 . 1 1 26 26 TYR N N 26 117.354 117.354 120.052 -2.698 25755 2726 1 11 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.181 -0.216 25755 2727 1 11 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.816 0.346 25755 2728 1 11 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.765 -0.135 25755 2729 1 11 . 1 1 26 26 TYR H H 26 7.322 7.322 7.553 -0.231 25755 2730 1 11 . 1 1 27 27 ASP N N 27 119.874 119.874 120.197 -0.323 25755 2731 1 11 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.368 0.287 25755 2732 1 11 . 1 1 27 27 ASP CB C 27 40.590 40.590 41.230 -0.639 25755 2733 1 11 . 1 1 27 27 ASP H H 27 9.218 9.218 8.170 1.048 25755 2734 1 11 . 1 1 28 28 CYS N N 28 119.782 119.782 119.065 0.717 25755 2735 1 11 . 1 1 28 28 CYS HA H 28 4.168 4.168 4.078 0.090 25755 2736 1 11 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.615 -1.701 25755 2737 1 11 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.339 10.606 25755 2738 1 11 . 1 1 28 28 CYS H H 28 9.171 9.171 8.321 0.850 25755 2739 1 11 . 1 1 29 29 LYS N N 29 119.663 119.663 118.820 0.843 25755 2740 1 11 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.876 0.261 25755 2741 1 11 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.941 0.839 25755 2742 1 11 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.705 0.708 25755 2743 1 11 . 1 1 29 29 LYS H H 29 7.546 7.546 7.430 0.116 25755 2744 1 11 . 1 1 30 30 LEU N N 30 119.987 119.987 120.339 -0.352 25755 2745 1 11 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.760 0.351 25755 2746 1 11 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.908 -0.236 25755 2747 1 11 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.124 0.255 25755 2748 1 11 . 1 1 30 30 LEU H H 30 8.226 8.226 7.511 0.715 25755 2749 1 11 . 1 1 31 31 ASP N N 31 116.853 116.853 116.034 0.819 25755 2750 1 11 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.562 -0.016 25755 2751 1 11 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.650 0.616 25755 2752 1 11 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.927 -1.449 25755 2753 1 11 . 1 1 31 31 ASP H H 31 9.019 9.019 7.909 1.110 25755 2754 1 11 . 1 1 32 32 LYS N N 32 112.075 112.075 118.495 -6.420 25755 2755 1 11 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.171 0.378 25755 2756 1 11 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.830 -4.365 25755 2757 1 11 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.589 -0.724 25755 2758 1 11 . 1 1 32 32 LYS H H 32 6.639 6.639 8.416 -1.777 25755 2759 1 11 . 1 1 33 33 HIS N N 33 112.955 112.955 114.385 -1.430 25755 2760 1 11 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.152 0.471 25755 2761 1 11 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.699 0.787 25755 2762 1 11 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.122 -2.428 25755 2763 1 11 . 1 1 33 33 HIS H H 33 7.065 7.065 8.025 -0.960 25755 2764 1 11 . 1 1 34 34 ALA N N 34 120.177 120.177 119.504 0.673 25755 2765 1 11 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.768 0.381 25755 2766 1 11 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.432 -1.653 25755 2767 1 11 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.748 -0.630 25755 2768 1 11 . 1 1 34 34 ALA H H 34 7.716 7.716 7.112 0.604 25755 2769 1 11 . 1 1 35 35 ARG N N 35 116.636 116.636 117.236 -0.600 25755 2770 1 11 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.102 0.104 25755 2771 1 11 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.411 -1.335 25755 2772 1 11 . 1 1 35 35 ARG CB C 35 30.717 30.717 31.162 -0.445 25755 2773 1 11 . 1 1 35 35 ARG H H 35 8.295 8.295 8.256 0.039 25755 2774 1 11 . 1 1 36 36 SER N N 36 109.273 109.273 111.529 -2.256 25755 2775 1 11 . 1 1 36 36 SER HA H 36 4.646 4.646 4.418 0.228 25755 2776 1 11 . 1 1 36 36 SER CA C 36 57.703 57.703 57.789 -0.086 25755 2777 1 11 . 1 1 36 36 SER CB C 36 65.425 65.425 66.368 -0.943 25755 2778 1 11 . 1 1 36 36 SER H H 36 8.026 8.026 8.809 -0.783 25755 2779 1 11 . 1 1 37 37 GLY N N 37 107.305 107.305 112.219 -4.914 25755 2780 1 11 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.169 1.983 25755 2781 1 11 . 1 1 37 37 GLY H H 37 8.679 8.679 8.427 0.252 25755 2782 1 11 . 1 1 38 38 GLU N N 38 119.065 119.065 122.219 -3.154 25755 2783 1 11 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.564 -0.162 25755 2784 1 11 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.740 1.033 25755 2785 1 11 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.951 -2.129 25755 2786 1 11 . 1 1 38 38 GLU H H 38 8.351 8.351 8.644 -0.293 25755 2787 1 11 . 1 1 39 39 CYS N N 39 121.636 121.636 118.535 3.101 25755 2788 1 11 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.437 0.550 25755 2789 1 11 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.697 -0.969 25755 2790 1 11 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.872 16.147 25755 2791 1 11 . 1 1 39 39 CYS H H 39 8.839 8.839 8.291 0.548 25755 2792 1 11 . 1 1 40 40 PHE N N 40 121.987 121.987 120.311 1.676 25755 2793 1 11 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.767 0.003 25755 2794 1 11 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.513 0.456 25755 2795 1 11 . 1 1 40 40 PHE CB C 40 43.760 43.760 43.014 0.746 25755 2796 1 11 . 1 1 40 40 PHE H H 40 9.214 9.214 8.840 0.374 25755 2797 1 11 . 1 1 41 41 TYR N N 41 121.905 121.905 119.688 2.217 25755 2798 1 11 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.633 0.327 25755 2799 1 11 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.340 -0.808 25755 2800 1 11 . 1 1 41 41 TYR CB C 41 40.302 40.302 38.997 1.305 25755 2801 1 11 . 1 1 41 41 TYR H H 41 8.557 8.557 8.681 -0.124 25755 2802 1 11 . 1 1 42 42 ASP N N 42 123.133 123.133 121.781 1.352 25755 2803 1 11 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.845 -0.092 25755 2804 1 11 . 1 1 42 42 ASP CA C 42 52.426 52.426 53.127 -0.701 25755 2805 1 11 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.837 -1.217 25755 2806 1 11 . 1 1 42 42 ASP H H 42 8.603 8.603 8.059 0.544 25755 2807 1 11 . 1 1 43 43 GLU N N 43 118.012 118.012 119.658 -1.646 25755 2808 1 11 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.107 0.102 25755 2809 1 11 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.842 0.023 25755 2810 1 11 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.616 -0.379 25755 2811 1 11 . 1 1 43 43 GLU H H 43 9.081 9.081 8.657 0.424 25755 2812 1 11 . 1 1 44 44 LYS N N 44 120.047 120.047 117.175 2.872 25755 2813 1 11 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.423 0.021 25755 2814 1 11 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.495 0.167 25755 2815 1 11 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.626 -0.587 25755 2816 1 11 . 1 1 44 44 LYS H H 44 8.162 8.162 7.822 0.340 25755 2817 1 11 . 1 1 45 45 ARG N N 45 113.453 113.453 115.741 -2.288 25755 2818 1 11 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.050 -0.387 25755 2819 1 11 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.845 0.891 25755 2820 1 11 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.474 -1.084 25755 2821 1 11 . 1 1 45 45 ARG H H 45 8.335 8.335 7.804 0.531 25755 2822 1 11 . 1 1 46 46 ASN N N 46 118.207 118.207 116.447 1.760 25755 2823 1 11 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.967 0.015 25755 2824 1 11 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.204 0.862 25755 2825 1 11 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.910 0.383 25755 2826 1 11 . 1 1 46 46 ASN H H 46 8.745 8.745 8.246 0.499 25755 2827 1 11 . 1 1 47 47 LEU N N 47 125.815 125.815 126.819 -1.004 25755 2828 1 11 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.036 0.243 25755 2829 1 11 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.249 0.041 25755 2830 1 11 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.077 2.229 25755 2831 1 11 . 1 1 47 47 LEU H H 47 8.509 8.509 8.859 -0.350 25755 2832 1 11 . 1 1 48 48 GLN N N 48 120.834 120.834 122.593 -1.759 25755 2833 1 11 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.666 0.070 25755 2834 1 11 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.613 -0.508 25755 2835 1 11 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.138 -0.272 25755 2836 1 11 . 1 1 48 48 GLN H H 48 8.589 8.589 8.867 -0.278 25755 2837 1 11 . 1 1 49 49 CYS N N 49 121.829 121.829 121.766 0.063 25755 2838 1 11 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.518 0.340 25755 2839 1 11 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.049 -4.094 25755 2840 1 11 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.635 12.810 25755 2841 1 11 . 1 1 49 49 CYS H H 49 9.247 9.247 8.991 0.256 25755 2842 1 11 . 1 1 50 50 ILE N N 50 129.010 129.010 129.409 -0.399 25755 2843 1 11 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.546 -0.160 25755 2844 1 11 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.351 -0.930 25755 2845 1 11 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.133 -0.729 25755 2846 1 11 . 1 1 50 50 ILE H H 50 8.787 8.787 8.403 0.384 25755 2847 1 11 . 1 1 51 51 CYS N N 51 126.108 126.108 127.304 -1.196 25755 2848 1 11 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.624 0.713 25755 2849 1 11 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.121 -6.303 25755 2850 1 11 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.255 6.727 25755 2851 1 11 . 1 1 51 51 CYS H H 51 8.556 8.556 9.295 -0.739 25755 2852 1 11 . 1 1 52 52 ASP N N 52 122.342 122.342 118.974 3.368 25755 2853 1 11 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.817 0.696 25755 2854 1 11 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.108 -0.525 25755 2855 1 11 . 1 1 52 52 ASP CB C 52 42.831 42.831 41.235 1.596 25755 2856 1 11 . 1 1 52 52 ASP H H 52 8.826 8.826 8.561 0.265 25755 2857 1 11 . 1 1 53 53 TYR N N 53 125.370 125.370 122.010 3.360 25755 2858 1 11 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.693 -0.435 25755 2859 1 11 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.123 0.541 25755 2860 1 11 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.181 -0.398 25755 2861 1 11 . 1 1 53 53 TYR H H 53 9.734 9.734 8.568 1.166 25755 2862 1 11 . 1 1 54 54 CYS N N 54 120.418 120.418 121.149 -0.731 25755 2863 1 11 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.472 0.022 25755 2864 1 11 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.650 -4.506 25755 2865 1 11 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.971 15.411 25755 2866 1 11 . 1 1 54 54 CYS H H 54 9.478 9.478 8.930 0.548 25755 2867 1 11 . 1 1 55 55 GLU N N 55 121.097 121.097 119.729 1.368 25755 2868 1 11 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.746 -0.434 25755 2869 1 11 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.029 -0.019 25755 2870 1 11 . 1 1 55 55 GLU CB C 55 31.014 31.014 31.174 -0.160 25755 2871 1 11 . 1 1 55 55 GLU H H 55 8.423 8.423 8.274 0.149 25755 2872 1 12 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.798 -0.547 25755 2873 1 12 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.180 5.304 25755 2874 1 12 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.942 -1.530 25755 2875 1 12 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.204 0.141 25755 2876 1 12 . 1 1 3 3 LYS CA C 3 57.556 57.556 57.268 0.288 25755 2877 1 12 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.772 -0.179 25755 2878 1 12 . 1 1 4 4 CYS N N 4 117.049 117.049 117.962 -0.913 25755 2879 1 12 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.910 -0.182 25755 2880 1 12 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.303 1.112 25755 2881 1 12 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.317 12.526 25755 2882 1 12 . 1 1 4 4 CYS H H 4 8.486 8.486 7.942 0.544 25755 2883 1 12 . 1 1 5 5 LYS N N 5 118.790 118.790 121.186 -2.396 25755 2884 1 12 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.843 0.728 25755 2885 1 12 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.736 -0.446 25755 2886 1 12 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.892 -0.287 25755 2887 1 12 . 1 1 5 5 LYS H H 5 8.007 8.007 8.198 -0.191 25755 2888 1 12 . 1 1 6 6 LYS N N 6 121.177 121.177 120.220 0.957 25755 2889 1 12 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.581 0.204 25755 2890 1 12 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.019 -0.477 25755 2891 1 12 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.732 1.170 25755 2892 1 12 . 1 1 6 6 LYS H H 6 9.014 9.014 8.753 0.261 25755 2893 1 12 . 1 1 7 7 VAL N N 7 127.629 127.629 124.179 3.450 25755 2894 1 12 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.034 -0.008 25755 2895 1 12 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.084 1.904 25755 2896 1 12 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.744 0.363 25755 2897 1 12 . 1 1 7 7 VAL H H 7 8.837 8.837 8.636 0.201 25755 2898 1 12 . 1 1 8 8 TYR N N 8 130.003 130.003 129.354 0.649 25755 2899 1 12 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.758 -0.299 25755 2900 1 12 . 1 1 8 8 TYR CA C 8 55.720 55.720 56.059 -0.339 25755 2901 1 12 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.970 -1.952 25755 2902 1 12 . 1 1 8 8 TYR H H 8 9.251 9.251 8.290 0.961 25755 2903 1 12 . 1 1 9 9 GLU N N 9 130.851 130.851 125.601 5.250 25755 2904 1 12 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.159 0.045 25755 2905 1 12 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.136 0.381 25755 2906 1 12 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.516 -0.125 25755 2907 1 12 . 1 1 9 9 GLU H H 9 9.072 9.072 8.560 0.512 25755 2908 1 12 . 1 1 10 10 ASN N N 10 116.120 116.120 117.259 -1.139 25755 2909 1 12 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.676 -0.238 25755 2910 1 12 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.622 1.965 25755 2911 1 12 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.859 -0.581 25755 2912 1 12 . 1 1 10 10 ASN H H 10 9.301 9.301 7.623 1.678 25755 2913 1 12 . 1 1 11 11 TYR N N 11 122.436 122.436 119.970 2.466 25755 2914 1 12 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.618 -0.424 25755 2915 1 12 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.614 1.998 25755 2916 1 12 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.992 -2.525 25755 2917 1 12 . 1 1 11 11 TYR H H 11 7.550 7.550 7.233 0.317 25755 2918 1 12 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.573 -0.126 25755 2919 1 12 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.690 -0.192 25755 2920 1 12 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.779 -2.188 25755 2921 1 12 . 1 1 13 13 VAL N N 13 124.506 124.506 122.191 2.315 25755 2922 1 12 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.770 0.066 25755 2923 1 12 . 1 1 13 13 VAL CA C 13 65.761 65.761 65.014 0.747 25755 2924 1 12 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.629 -0.049 25755 2925 1 12 . 1 1 13 13 VAL H H 13 8.169 8.169 8.404 -0.235 25755 2926 1 12 . 1 1 14 14 SER N N 14 116.625 116.625 116.880 -0.255 25755 2927 1 12 . 1 1 14 14 SER HA H 14 4.206 4.206 4.390 -0.184 25755 2928 1 12 . 1 1 14 14 SER CA C 14 61.194 61.194 61.897 -0.703 25755 2929 1 12 . 1 1 14 14 SER CB C 14 62.041 62.041 62.538 -0.497 25755 2930 1 12 . 1 1 14 14 SER H H 14 8.396 8.396 8.296 0.100 25755 2931 1 12 . 1 1 15 15 LYS N N 15 120.843 120.843 122.080 -1.237 25755 2932 1 12 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.038 0.162 25755 2933 1 12 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.227 0.396 25755 2934 1 12 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.037 0.149 25755 2935 1 12 . 1 1 15 15 LYS H H 15 7.791 7.791 7.696 0.095 25755 2936 1 12 . 1 1 16 16 CYS N N 16 115.949 115.949 117.437 -1.488 25755 2937 1 12 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.496 0.397 25755 2938 1 12 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.042 -4.473 25755 2939 1 12 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.781 14.656 25755 2940 1 12 . 1 1 16 16 CYS H H 16 7.870 7.870 7.557 0.313 25755 2941 1 12 . 1 1 17 17 GLN N N 17 117.241 117.241 117.393 -0.152 25755 2942 1 12 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.085 0.189 25755 2943 1 12 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.197 -0.260 25755 2944 1 12 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.654 0.533 25755 2945 1 12 . 1 1 17 17 GLN H H 17 7.560 7.560 7.680 -0.120 25755 2946 1 12 . 1 1 18 18 LEU N N 18 120.537 120.537 121.126 -0.589 25755 2947 1 12 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.138 0.302 25755 2948 1 12 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.338 0.110 25755 2949 1 12 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.008 0.829 25755 2950 1 12 . 1 1 18 18 LEU H H 18 7.369 7.369 7.406 -0.037 25755 2951 1 12 . 1 1 19 19 ARG N N 19 121.697 121.697 122.472 -0.775 25755 2952 1 12 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.052 0.247 25755 2953 1 12 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.851 -1.015 25755 2954 1 12 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.313 0.079 25755 2955 1 12 . 1 1 19 19 ARG H H 19 8.447 8.447 7.990 0.457 25755 2956 1 12 . 1 1 20 20 ILE N N 20 116.439 116.439 116.656 -0.217 25755 2957 1 12 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.064 0.070 25755 2958 1 12 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.370 0.127 25755 2959 1 12 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.203 -0.039 25755 2960 1 12 . 1 1 20 20 ILE H H 20 7.758 7.758 7.760 -0.002 25755 2961 1 12 . 1 1 21 21 ALA N N 21 122.642 122.642 122.996 -0.354 25755 2962 1 12 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.556 -0.174 25755 2963 1 12 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.602 0.793 25755 2964 1 12 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.693 0.405 25755 2965 1 12 . 1 1 21 21 ALA H H 21 7.727 7.727 7.240 0.487 25755 2966 1 12 . 1 1 22 22 ASN N N 22 116.616 116.616 121.819 -5.203 25755 2967 1 12 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.932 -0.141 25755 2968 1 12 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.315 0.562 25755 2969 1 12 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.090 -0.536 25755 2970 1 12 . 1 1 22 22 ASN H H 22 8.307 8.307 8.527 -0.220 25755 2971 1 12 . 1 1 23 23 GLN N N 23 124.357 124.357 124.027 0.330 25755 2972 1 12 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.318 -0.300 25755 2973 1 12 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.286 1.362 25755 2974 1 12 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.634 0.765 25755 2975 1 12 . 1 1 23 23 GLN H H 23 8.542 8.542 8.282 0.260 25755 2976 1 12 . 1 1 24 24 CYS N N 24 118.909 118.909 119.386 -0.477 25755 2977 1 12 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.988 0.296 25755 2978 1 12 . 1 1 24 24 CYS CA C 24 58.406 58.406 63.186 -4.780 25755 2979 1 12 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.642 12.134 25755 2980 1 12 . 1 1 24 24 CYS H H 24 8.352 8.352 8.716 -0.364 25755 2981 1 12 . 1 1 25 25 ASN N N 25 118.182 118.182 119.270 -1.088 25755 2982 1 12 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.231 -0.343 25755 2983 1 12 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.479 1.193 25755 2984 1 12 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.259 2.514 25755 2985 1 12 . 1 1 25 25 ASN H H 25 7.504 7.504 8.459 -0.955 25755 2986 1 12 . 1 1 26 26 TYR N N 26 117.354 117.354 119.272 -1.918 25755 2987 1 12 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.161 -0.196 25755 2988 1 12 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.888 0.274 25755 2989 1 12 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.832 -0.202 25755 2990 1 12 . 1 1 26 26 TYR H H 26 7.322 7.322 7.565 -0.243 25755 2991 1 12 . 1 1 27 27 ASP N N 27 119.874 119.874 120.090 -0.216 25755 2992 1 12 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.390 0.265 25755 2993 1 12 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.607 -0.017 25755 2994 1 12 . 1 1 27 27 ASP H H 27 9.218 9.218 8.207 1.011 25755 2995 1 12 . 1 1 28 28 CYS N N 28 119.782 119.782 118.967 0.815 25755 2996 1 12 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.896 0.272 25755 2997 1 12 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.705 -1.791 25755 2998 1 12 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.203 10.742 25755 2999 1 12 . 1 1 28 28 CYS H H 28 9.171 9.171 8.350 0.821 25755 3000 1 12 . 1 1 29 29 LYS N N 29 119.663 119.663 119.088 0.575 25755 3001 1 12 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.930 0.207 25755 3002 1 12 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.071 0.710 25755 3003 1 12 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.836 0.577 25755 3004 1 12 . 1 1 29 29 LYS H H 29 7.546 7.546 7.461 0.085 25755 3005 1 12 . 1 1 30 30 LEU N N 30 119.987 119.987 120.910 -0.923 25755 3006 1 12 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.951 0.160 25755 3007 1 12 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.807 -0.135 25755 3008 1 12 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.209 0.170 25755 3009 1 12 . 1 1 30 30 LEU H H 30 8.226 8.226 7.733 0.493 25755 3010 1 12 . 1 1 31 31 ASP N N 31 116.853 116.853 117.791 -0.938 25755 3011 1 12 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.593 -0.047 25755 3012 1 12 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.194 1.073 25755 3013 1 12 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.060 -0.582 25755 3014 1 12 . 1 1 31 31 ASP H H 31 9.019 9.019 7.952 1.067 25755 3015 1 12 . 1 1 32 32 LYS N N 32 112.075 112.075 118.674 -6.599 25755 3016 1 12 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.134 0.415 25755 3017 1 12 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.651 -4.186 25755 3018 1 12 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.645 -0.780 25755 3019 1 12 . 1 1 32 32 LYS H H 32 6.639 6.639 8.153 -1.514 25755 3020 1 12 . 1 1 33 33 HIS N N 33 112.955 112.955 115.167 -2.212 25755 3021 1 12 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.136 0.487 25755 3022 1 12 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.478 1.008 25755 3023 1 12 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.404 -2.710 25755 3024 1 12 . 1 1 33 33 HIS H H 33 7.065 7.065 8.119 -1.054 25755 3025 1 12 . 1 1 34 34 ALA N N 34 120.177 120.177 119.568 0.609 25755 3026 1 12 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.663 0.486 25755 3027 1 12 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.336 -1.556 25755 3028 1 12 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.506 -0.388 25755 3029 1 12 . 1 1 34 34 ALA H H 34 7.716 7.716 7.060 0.656 25755 3030 1 12 . 1 1 35 35 ARG N N 35 116.636 116.636 117.559 -0.923 25755 3031 1 12 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.031 0.175 25755 3032 1 12 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.434 -0.357 25755 3033 1 12 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.258 0.459 25755 3034 1 12 . 1 1 35 35 ARG H H 35 8.295 8.295 8.015 0.280 25755 3035 1 12 . 1 1 36 36 SER N N 36 109.273 109.273 111.691 -2.418 25755 3036 1 12 . 1 1 36 36 SER HA H 36 4.646 4.646 4.366 0.280 25755 3037 1 12 . 1 1 36 36 SER CA C 36 57.703 57.703 58.351 -0.648 25755 3038 1 12 . 1 1 36 36 SER CB C 36 65.425 65.425 65.378 0.047 25755 3039 1 12 . 1 1 36 36 SER H H 36 8.026 8.026 8.240 -0.214 25755 3040 1 12 . 1 1 37 37 GLY N N 37 107.305 107.305 111.279 -3.974 25755 3041 1 12 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.032 2.120 25755 3042 1 12 . 1 1 37 37 GLY H H 37 8.679 8.679 7.824 0.855 25755 3043 1 12 . 1 1 38 38 GLU N N 38 119.065 119.065 122.467 -3.402 25755 3044 1 12 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.570 -0.168 25755 3045 1 12 . 1 1 38 38 GLU CA C 38 55.773 55.773 55.468 0.305 25755 3046 1 12 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.902 -2.080 25755 3047 1 12 . 1 1 38 38 GLU H H 38 8.351 8.351 8.782 -0.431 25755 3048 1 12 . 1 1 39 39 CYS N N 39 121.636 121.636 118.299 3.337 25755 3049 1 12 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.291 0.696 25755 3050 1 12 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.809 -1.081 25755 3051 1 12 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.310 16.709 25755 3052 1 12 . 1 1 39 39 CYS H H 39 8.839 8.839 8.302 0.537 25755 3053 1 12 . 1 1 40 40 PHE N N 40 121.987 121.987 120.409 1.578 25755 3054 1 12 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.770 -0.000 25755 3055 1 12 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.154 0.816 25755 3056 1 12 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.994 0.766 25755 3057 1 12 . 1 1 40 40 PHE H H 40 9.214 9.214 8.639 0.575 25755 3058 1 12 . 1 1 41 41 TYR N N 41 121.905 121.905 120.259 1.646 25755 3059 1 12 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.703 0.257 25755 3060 1 12 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.636 -0.104 25755 3061 1 12 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.253 1.049 25755 3062 1 12 . 1 1 41 41 TYR H H 41 8.557 8.557 8.751 -0.194 25755 3063 1 12 . 1 1 42 42 ASP N N 42 123.133 123.133 121.757 1.376 25755 3064 1 12 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.815 -0.062 25755 3065 1 12 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.509 -0.083 25755 3066 1 12 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.524 -0.904 25755 3067 1 12 . 1 1 42 42 ASP H H 42 8.603 8.603 8.484 0.119 25755 3068 1 12 . 1 1 43 43 GLU N N 43 118.012 118.012 119.106 -1.094 25755 3069 1 12 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.105 0.104 25755 3070 1 12 . 1 1 43 43 GLU CA C 43 58.865 58.865 59.592 -0.727 25755 3071 1 12 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.545 -0.308 25755 3072 1 12 . 1 1 43 43 GLU H H 43 9.081 9.081 8.753 0.328 25755 3073 1 12 . 1 1 44 44 LYS N N 44 120.047 120.047 116.964 3.083 25755 3074 1 12 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.344 0.100 25755 3075 1 12 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.790 -0.129 25755 3076 1 12 . 1 1 44 44 LYS CB C 44 32.039 32.039 31.772 0.267 25755 3077 1 12 . 1 1 44 44 LYS H H 44 8.162 8.162 8.422 -0.260 25755 3078 1 12 . 1 1 45 45 ARG N N 45 113.453 113.453 115.390 -1.937 25755 3079 1 12 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.063 -0.400 25755 3080 1 12 . 1 1 45 45 ARG CA C 45 57.736 57.736 57.112 0.624 25755 3081 1 12 . 1 1 45 45 ARG CB C 45 26.390 26.390 26.949 -0.559 25755 3082 1 12 . 1 1 45 45 ARG H H 45 8.335 8.335 8.115 0.220 25755 3083 1 12 . 1 1 46 46 ASN N N 46 118.207 118.207 117.627 0.580 25755 3084 1 12 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.024 -0.042 25755 3085 1 12 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.840 1.226 25755 3086 1 12 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.697 -0.404 25755 3087 1 12 . 1 1 46 46 ASN H H 46 8.745 8.745 9.022 -0.277 25755 3088 1 12 . 1 1 47 47 LEU N N 47 125.815 125.815 126.984 -1.169 25755 3089 1 12 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.080 0.199 25755 3090 1 12 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.919 0.371 25755 3091 1 12 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.630 1.676 25755 3092 1 12 . 1 1 47 47 LEU H H 47 8.509 8.509 8.819 -0.310 25755 3093 1 12 . 1 1 48 48 GLN N N 48 120.834 120.834 122.214 -1.380 25755 3094 1 12 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.668 0.068 25755 3095 1 12 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.900 0.205 25755 3096 1 12 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.492 -0.626 25755 3097 1 12 . 1 1 48 48 GLN H H 48 8.589 8.589 8.860 -0.271 25755 3098 1 12 . 1 1 49 49 CYS N N 49 121.829 121.829 123.239 -1.410 25755 3099 1 12 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.521 0.337 25755 3100 1 12 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.169 -4.214 25755 3101 1 12 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.555 12.890 25755 3102 1 12 . 1 1 49 49 CYS H H 49 9.247 9.247 8.883 0.364 25755 3103 1 12 . 1 1 50 50 ILE N N 50 129.010 129.010 130.040 -1.030 25755 3104 1 12 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.456 -0.070 25755 3105 1 12 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.953 -1.532 25755 3106 1 12 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.970 -0.566 25755 3107 1 12 . 1 1 50 50 ILE H H 50 8.787 8.787 7.938 0.849 25755 3108 1 12 . 1 1 51 51 CYS N N 51 126.108 126.108 127.982 -1.874 25755 3109 1 12 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.660 0.677 25755 3110 1 12 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.254 -6.436 25755 3111 1 12 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.646 6.336 25755 3112 1 12 . 1 1 51 51 CYS H H 51 8.556 8.556 9.271 -0.715 25755 3113 1 12 . 1 1 52 52 ASP N N 52 122.342 122.342 120.191 2.151 25755 3114 1 12 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.978 0.535 25755 3115 1 12 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.672 -1.089 25755 3116 1 12 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.465 0.366 25755 3117 1 12 . 1 1 52 52 ASP H H 52 8.826 8.826 8.539 0.287 25755 3118 1 12 . 1 1 53 53 TYR N N 53 125.370 125.370 122.198 3.172 25755 3119 1 12 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.579 -0.321 25755 3120 1 12 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.043 0.622 25755 3121 1 12 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.238 -0.455 25755 3122 1 12 . 1 1 53 53 TYR H H 53 9.734 9.734 8.662 1.072 25755 3123 1 12 . 1 1 54 54 CYS N N 54 120.418 120.418 121.185 -0.767 25755 3124 1 12 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.434 0.060 25755 3125 1 12 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.660 -4.517 25755 3126 1 12 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.558 15.824 25755 3127 1 12 . 1 1 54 54 CYS H H 54 9.478 9.478 8.759 0.719 25755 3128 1 12 . 1 1 55 55 GLU N N 55 121.097 121.097 120.460 0.637 25755 3129 1 12 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.403 -0.091 25755 3130 1 12 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.608 -1.598 25755 3131 1 12 . 1 1 55 55 GLU CB C 55 31.014 31.014 30.477 0.537 25755 3132 1 12 . 1 1 55 55 GLU H H 55 8.423 8.423 8.227 0.196 25755 3133 1 13 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.370 -0.119 25755 3134 1 13 . 1 1 2 2 ASP CA C 2 59.484 59.484 55.018 4.466 25755 3135 1 13 . 1 1 2 2 ASP CB C 2 39.412 39.412 39.903 -0.491 25755 3136 1 13 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.368 -0.023 25755 3137 1 13 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.533 1.023 25755 3138 1 13 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.947 -0.354 25755 3139 1 13 . 1 1 4 4 CYS N N 4 117.049 117.049 118.890 -1.841 25755 3140 1 13 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.880 -0.152 25755 3141 1 13 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.220 0.195 25755 3142 1 13 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.240 12.603 25755 3143 1 13 . 1 1 4 4 CYS H H 4 8.486 8.486 7.790 0.696 25755 3144 1 13 . 1 1 5 5 LYS N N 5 118.790 118.790 121.513 -2.723 25755 3145 1 13 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.904 0.667 25755 3146 1 13 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.837 -0.547 25755 3147 1 13 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.843 -0.236 25755 3148 1 13 . 1 1 5 5 LYS H H 5 8.007 8.007 8.268 -0.261 25755 3149 1 13 . 1 1 6 6 LYS N N 6 121.177 121.177 120.443 0.734 25755 3150 1 13 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.571 0.214 25755 3151 1 13 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.996 -0.454 25755 3152 1 13 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.525 1.377 25755 3153 1 13 . 1 1 6 6 LYS H H 6 9.014 9.014 8.776 0.238 25755 3154 1 13 . 1 1 7 7 VAL N N 7 127.629 127.629 124.863 2.766 25755 3155 1 13 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.147 -0.121 25755 3156 1 13 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.202 1.786 25755 3157 1 13 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.723 0.384 25755 3158 1 13 . 1 1 7 7 VAL H H 7 8.837 8.837 8.691 0.146 25755 3159 1 13 . 1 1 8 8 TYR N N 8 130.003 130.003 129.979 0.024 25755 3160 1 13 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.731 -0.272 25755 3161 1 13 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.535 0.185 25755 3162 1 13 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.147 -2.129 25755 3163 1 13 . 1 1 8 8 TYR H H 8 9.251 9.251 8.519 0.732 25755 3164 1 13 . 1 1 9 9 GLU N N 9 130.851 130.851 124.659 6.192 25755 3165 1 13 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.045 0.159 25755 3166 1 13 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.230 0.287 25755 3167 1 13 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.333 0.058 25755 3168 1 13 . 1 1 9 9 GLU H H 9 9.072 9.072 8.488 0.584 25755 3169 1 13 . 1 1 10 10 ASN N N 10 116.120 116.120 117.558 -1.438 25755 3170 1 13 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.596 -0.158 25755 3171 1 13 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.794 1.793 25755 3172 1 13 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.410 -0.133 25755 3173 1 13 . 1 1 10 10 ASN H H 10 9.301 9.301 7.621 1.680 25755 3174 1 13 . 1 1 11 11 TYR N N 11 122.436 122.436 120.288 2.148 25755 3175 1 13 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.637 -0.443 25755 3176 1 13 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.246 2.366 25755 3177 1 13 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.821 -2.354 25755 3178 1 13 . 1 1 11 11 TYR H H 11 7.550 7.550 7.594 -0.044 25755 3179 1 13 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.553 -0.106 25755 3180 1 13 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.493 0.005 25755 3181 1 13 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.586 -1.995 25755 3182 1 13 . 1 1 13 13 VAL N N 13 124.506 124.506 121.805 2.701 25755 3183 1 13 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.832 0.004 25755 3184 1 13 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.588 1.173 25755 3185 1 13 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.441 0.139 25755 3186 1 13 . 1 1 13 13 VAL H H 13 8.169 8.169 8.445 -0.276 25755 3187 1 13 . 1 1 14 14 SER N N 14 116.625 116.625 117.073 -0.448 25755 3188 1 13 . 1 1 14 14 SER HA H 14 4.206 4.206 4.421 -0.215 25755 3189 1 13 . 1 1 14 14 SER CA C 14 61.194 61.194 62.168 -0.974 25755 3190 1 13 . 1 1 14 14 SER CB C 14 62.041 62.041 62.871 -0.830 25755 3191 1 13 . 1 1 14 14 SER H H 14 8.396 8.396 8.137 0.259 25755 3192 1 13 . 1 1 15 15 LYS N N 15 120.843 120.843 121.215 -0.372 25755 3193 1 13 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.063 0.137 25755 3194 1 13 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.094 0.529 25755 3195 1 13 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.115 0.070 25755 3196 1 13 . 1 1 15 15 LYS H H 15 7.791 7.791 8.107 -0.316 25755 3197 1 13 . 1 1 16 16 CYS N N 16 115.949 115.949 117.595 -1.646 25755 3198 1 13 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.477 0.416 25755 3199 1 13 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.379 -4.809 25755 3200 1 13 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.605 14.832 25755 3201 1 13 . 1 1 16 16 CYS H H 16 7.870 7.870 7.590 0.280 25755 3202 1 13 . 1 1 17 17 GLN N N 17 117.241 117.241 117.447 -0.206 25755 3203 1 13 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.067 0.207 25755 3204 1 13 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.424 -0.487 25755 3205 1 13 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.625 0.562 25755 3206 1 13 . 1 1 17 17 GLN H H 17 7.560 7.560 7.590 -0.030 25755 3207 1 13 . 1 1 18 18 LEU N N 18 120.537 120.537 121.319 -0.782 25755 3208 1 13 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.126 0.314 25755 3209 1 13 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.238 0.210 25755 3210 1 13 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.946 0.892 25755 3211 1 13 . 1 1 18 18 LEU H H 18 7.369 7.369 7.318 0.051 25755 3212 1 13 . 1 1 19 19 ARG N N 19 121.697 121.697 121.292 0.405 25755 3213 1 13 . 1 1 19 19 ARG HA H 19 4.299 4.299 3.987 0.312 25755 3214 1 13 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.681 -0.845 25755 3215 1 13 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.241 0.151 25755 3216 1 13 . 1 1 19 19 ARG H H 19 8.447 8.447 7.924 0.523 25755 3217 1 13 . 1 1 20 20 ILE N N 20 116.439 116.439 119.050 -2.611 25755 3218 1 13 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.107 0.027 25755 3219 1 13 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.187 0.310 25755 3220 1 13 . 1 1 20 20 ILE CB C 20 38.164 38.164 37.184 0.980 25755 3221 1 13 . 1 1 20 20 ILE H H 20 7.758 7.758 7.745 0.013 25755 3222 1 13 . 1 1 21 21 ALA N N 21 122.642 122.642 123.343 -0.701 25755 3223 1 13 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.478 -0.096 25755 3224 1 13 . 1 1 21 21 ALA CA C 21 52.395 52.395 50.890 1.505 25755 3225 1 13 . 1 1 21 21 ALA CB C 21 20.098 20.098 17.803 2.295 25755 3226 1 13 . 1 1 21 21 ALA H H 21 7.727 7.727 7.900 -0.173 25755 3227 1 13 . 1 1 22 22 ASN N N 22 116.616 116.616 120.767 -4.151 25755 3228 1 13 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.880 -0.089 25755 3229 1 13 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.503 0.374 25755 3230 1 13 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.271 -0.717 25755 3231 1 13 . 1 1 22 22 ASN H H 22 8.307 8.307 8.307 0.000 25755 3232 1 13 . 1 1 23 23 GLN N N 23 124.357 124.357 123.617 0.740 25755 3233 1 13 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.272 -0.254 25755 3234 1 13 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.767 0.881 25755 3235 1 13 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.757 0.642 25755 3236 1 13 . 1 1 23 23 GLN H H 23 8.542 8.542 8.256 0.286 25755 3237 1 13 . 1 1 24 24 CYS N N 24 118.909 118.909 119.476 -0.567 25755 3238 1 13 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.898 0.386 25755 3239 1 13 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.932 -4.526 25755 3240 1 13 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.899 11.877 25755 3241 1 13 . 1 1 24 24 CYS H H 24 8.352 8.352 8.513 -0.161 25755 3242 1 13 . 1 1 25 25 ASN N N 25 118.182 118.182 118.978 -0.796 25755 3243 1 13 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.256 -0.368 25755 3244 1 13 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.590 1.082 25755 3245 1 13 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.459 2.314 25755 3246 1 13 . 1 1 25 25 ASN H H 25 7.504 7.504 8.416 -0.912 25755 3247 1 13 . 1 1 26 26 TYR N N 26 117.354 117.354 119.365 -2.011 25755 3248 1 13 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.219 -0.254 25755 3249 1 13 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.304 0.858 25755 3250 1 13 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.755 -0.125 25755 3251 1 13 . 1 1 26 26 TYR H H 26 7.322 7.322 7.608 -0.286 25755 3252 1 13 . 1 1 27 27 ASP N N 27 119.874 119.874 120.185 -0.311 25755 3253 1 13 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.357 0.298 25755 3254 1 13 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.875 -0.285 25755 3255 1 13 . 1 1 27 27 ASP H H 27 9.218 9.218 8.203 1.015 25755 3256 1 13 . 1 1 28 28 CYS N N 28 119.782 119.782 119.071 0.711 25755 3257 1 13 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.912 0.256 25755 3258 1 13 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.709 -1.795 25755 3259 1 13 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.227 10.718 25755 3260 1 13 . 1 1 28 28 CYS H H 28 9.171 9.171 8.270 0.901 25755 3261 1 13 . 1 1 29 29 LYS N N 29 119.663 119.663 118.802 0.861 25755 3262 1 13 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.920 0.217 25755 3263 1 13 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.220 0.561 25755 3264 1 13 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.802 0.611 25755 3265 1 13 . 1 1 29 29 LYS H H 29 7.546 7.546 7.413 0.133 25755 3266 1 13 . 1 1 30 30 LEU N N 30 119.987 119.987 120.096 -0.109 25755 3267 1 13 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.842 0.269 25755 3268 1 13 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.010 -0.338 25755 3269 1 13 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.047 0.332 25755 3270 1 13 . 1 1 30 30 LEU H H 30 8.226 8.226 7.577 0.649 25755 3271 1 13 . 1 1 31 31 ASP N N 31 116.853 116.853 116.259 0.594 25755 3272 1 13 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.550 -0.004 25755 3273 1 13 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.242 1.024 25755 3274 1 13 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.502 -1.024 25755 3275 1 13 . 1 1 31 31 ASP H H 31 9.019 9.019 7.871 1.148 25755 3276 1 13 . 1 1 32 32 LYS N N 32 112.075 112.075 118.426 -6.351 25755 3277 1 13 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.135 0.414 25755 3278 1 13 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.701 -4.236 25755 3279 1 13 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.651 -0.786 25755 3280 1 13 . 1 1 32 32 LYS H H 32 6.639 6.639 8.254 -1.615 25755 3281 1 13 . 1 1 33 33 HIS N N 33 112.955 112.955 114.372 -1.417 25755 3282 1 13 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.173 0.450 25755 3283 1 13 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.347 0.139 25755 3284 1 13 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.697 -2.003 25755 3285 1 13 . 1 1 33 33 HIS H H 33 7.065 7.065 8.104 -1.039 25755 3286 1 13 . 1 1 34 34 ALA N N 34 120.177 120.177 119.279 0.898 25755 3287 1 13 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.730 0.419 25755 3288 1 13 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.254 -1.475 25755 3289 1 13 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.644 -0.526 25755 3290 1 13 . 1 1 34 34 ALA H H 34 7.716 7.716 7.058 0.658 25755 3291 1 13 . 1 1 35 35 ARG N N 35 116.636 116.636 116.923 -0.287 25755 3292 1 13 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.019 0.187 25755 3293 1 13 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.552 -1.476 25755 3294 1 13 . 1 1 35 35 ARG CB C 35 30.717 30.717 31.083 -0.366 25755 3295 1 13 . 1 1 35 35 ARG H H 35 8.295 8.295 8.313 -0.018 25755 3296 1 13 . 1 1 36 36 SER N N 36 109.273 109.273 111.489 -2.216 25755 3297 1 13 . 1 1 36 36 SER HA H 36 4.646 4.646 4.457 0.189 25755 3298 1 13 . 1 1 36 36 SER CA C 36 57.703 57.703 58.270 -0.567 25755 3299 1 13 . 1 1 36 36 SER CB C 36 65.425 65.425 66.171 -0.746 25755 3300 1 13 . 1 1 36 36 SER H H 36 8.026 8.026 8.692 -0.666 25755 3301 1 13 . 1 1 37 37 GLY N N 37 107.305 107.305 111.646 -4.341 25755 3302 1 13 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.122 2.030 25755 3303 1 13 . 1 1 37 37 GLY H H 37 8.679 8.679 8.401 0.278 25755 3304 1 13 . 1 1 38 38 GLU N N 38 119.065 119.065 122.231 -3.166 25755 3305 1 13 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.552 -0.150 25755 3306 1 13 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.748 1.025 25755 3307 1 13 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.964 -2.142 25755 3308 1 13 . 1 1 38 38 GLU H H 38 8.351 8.351 8.744 -0.393 25755 3309 1 13 . 1 1 39 39 CYS N N 39 121.636 121.636 118.439 3.197 25755 3310 1 13 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.378 0.609 25755 3311 1 13 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.681 -0.953 25755 3312 1 13 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.589 16.430 25755 3313 1 13 . 1 1 39 39 CYS H H 39 8.839 8.839 8.265 0.574 25755 3314 1 13 . 1 1 40 40 PHE N N 40 121.987 121.987 120.085 1.902 25755 3315 1 13 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.820 -0.050 25755 3316 1 13 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.532 0.437 25755 3317 1 13 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.810 0.950 25755 3318 1 13 . 1 1 40 40 PHE H H 40 9.214 9.214 8.964 0.250 25755 3319 1 13 . 1 1 41 41 TYR N N 41 121.905 121.905 120.295 1.610 25755 3320 1 13 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.826 0.134 25755 3321 1 13 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.594 -0.062 25755 3322 1 13 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.199 1.103 25755 3323 1 13 . 1 1 41 41 TYR H H 41 8.557 8.557 8.831 -0.274 25755 3324 1 13 . 1 1 42 42 ASP N N 42 123.133 123.133 121.638 1.495 25755 3325 1 13 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.859 -0.106 25755 3326 1 13 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.369 0.057 25755 3327 1 13 . 1 1 42 42 ASP CB C 42 41.620 41.620 41.729 -0.109 25755 3328 1 13 . 1 1 42 42 ASP H H 42 8.603 8.603 8.587 0.016 25755 3329 1 13 . 1 1 43 43 GLU N N 43 118.012 118.012 116.548 1.464 25755 3330 1 13 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.108 0.101 25755 3331 1 13 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.320 0.545 25755 3332 1 13 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.344 -0.107 25755 3333 1 13 . 1 1 43 43 GLU H H 43 9.081 9.081 8.636 0.445 25755 3334 1 13 . 1 1 44 44 LYS N N 44 120.047 120.047 118.422 1.625 25755 3335 1 13 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.400 0.044 25755 3336 1 13 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.105 0.555 25755 3337 1 13 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.655 -0.616 25755 3338 1 13 . 1 1 44 44 LYS H H 44 8.162 8.162 7.994 0.168 25755 3339 1 13 . 1 1 45 45 ARG N N 45 113.453 113.453 114.773 -1.320 25755 3340 1 13 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.043 -0.380 25755 3341 1 13 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.956 0.780 25755 3342 1 13 . 1 1 45 45 ARG CB C 45 26.390 26.390 26.761 -0.371 25755 3343 1 13 . 1 1 45 45 ARG H H 45 8.335 8.335 7.960 0.375 25755 3344 1 13 . 1 1 46 46 ASN N N 46 118.207 118.207 117.862 0.345 25755 3345 1 13 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.033 -0.051 25755 3346 1 13 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.631 1.435 25755 3347 1 13 . 1 1 46 46 ASN CB C 46 39.293 39.293 40.075 -0.783 25755 3348 1 13 . 1 1 46 46 ASN H H 46 8.745 8.745 9.090 -0.345 25755 3349 1 13 . 1 1 47 47 LEU N N 47 125.815 125.815 126.466 -0.651 25755 3350 1 13 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.021 0.258 25755 3351 1 13 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.070 0.220 25755 3352 1 13 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.846 1.460 25755 3353 1 13 . 1 1 47 47 LEU H H 47 8.509 8.509 8.772 -0.263 25755 3354 1 13 . 1 1 48 48 GLN N N 48 120.834 120.834 122.458 -1.624 25755 3355 1 13 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.666 0.070 25755 3356 1 13 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.385 -0.280 25755 3357 1 13 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.513 -0.647 25755 3358 1 13 . 1 1 48 48 GLN H H 48 8.589 8.589 8.996 -0.407 25755 3359 1 13 . 1 1 49 49 CYS N N 49 121.829 121.829 123.075 -1.246 25755 3360 1 13 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.572 0.286 25755 3361 1 13 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.143 -4.188 25755 3362 1 13 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.721 12.724 25755 3363 1 13 . 1 1 49 49 CYS H H 49 9.247 9.247 9.021 0.226 25755 3364 1 13 . 1 1 50 50 ILE N N 50 129.010 129.010 130.194 -1.184 25755 3365 1 13 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.536 -0.150 25755 3366 1 13 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.518 -1.097 25755 3367 1 13 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.179 -0.776 25755 3368 1 13 . 1 1 50 50 ILE H H 50 8.787 8.787 8.455 0.332 25755 3369 1 13 . 1 1 51 51 CYS N N 51 126.108 126.108 127.405 -1.297 25755 3370 1 13 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.638 0.699 25755 3371 1 13 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.148 -6.330 25755 3372 1 13 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.246 6.736 25755 3373 1 13 . 1 1 51 51 CYS H H 51 8.556 8.556 9.283 -0.727 25755 3374 1 13 . 1 1 52 52 ASP N N 52 122.342 122.342 118.982 3.360 25755 3375 1 13 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.820 0.693 25755 3376 1 13 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.094 -0.511 25755 3377 1 13 . 1 1 52 52 ASP CB C 52 42.831 42.831 41.250 1.581 25755 3378 1 13 . 1 1 52 52 ASP H H 52 8.826 8.826 8.560 0.266 25755 3379 1 13 . 1 1 53 53 TYR N N 53 125.370 125.370 122.105 3.265 25755 3380 1 13 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.698 -0.440 25755 3381 1 13 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.080 0.585 25755 3382 1 13 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.559 -0.776 25755 3383 1 13 . 1 1 53 53 TYR H H 53 9.734 9.734 8.526 1.208 25755 3384 1 13 . 1 1 54 54 CYS N N 54 120.418 120.418 120.764 -0.346 25755 3385 1 13 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.421 0.073 25755 3386 1 13 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.795 -4.652 25755 3387 1 13 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.855 15.527 25755 3388 1 13 . 1 1 54 54 CYS H H 54 9.478 9.478 8.915 0.563 25755 3389 1 13 . 1 1 55 55 GLU N N 55 121.097 121.097 118.771 2.326 25755 3390 1 13 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.042 0.270 25755 3391 1 13 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.270 -1.260 25755 3392 1 13 . 1 1 55 55 GLU CB C 55 31.014 31.014 29.857 1.157 25755 3393 1 13 . 1 1 55 55 GLU H H 55 8.423 8.423 8.148 0.275 25755 3394 1 14 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.635 -0.384 25755 3395 1 14 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.542 4.942 25755 3396 1 14 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.405 -0.993 25755 3397 1 14 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.308 0.037 25755 3398 1 14 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.709 0.847 25755 3399 1 14 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.437 0.156 25755 3400 1 14 . 1 1 4 4 CYS N N 4 117.049 117.049 117.675 -0.626 25755 3401 1 14 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.923 -0.195 25755 3402 1 14 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.819 0.596 25755 3403 1 14 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.571 12.272 25755 3404 1 14 . 1 1 4 4 CYS H H 4 8.486 8.486 7.996 0.490 25755 3405 1 14 . 1 1 5 5 LYS N N 5 118.790 118.790 121.136 -2.346 25755 3406 1 14 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.822 0.749 25755 3407 1 14 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.706 -0.416 25755 3408 1 14 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.004 -0.398 25755 3409 1 14 . 1 1 5 5 LYS H H 5 8.007 8.007 8.191 -0.184 25755 3410 1 14 . 1 1 6 6 LYS N N 6 121.177 121.177 120.410 0.767 25755 3411 1 14 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.521 0.264 25755 3412 1 14 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.059 -0.517 25755 3413 1 14 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.710 1.192 25755 3414 1 14 . 1 1 6 6 LYS H H 6 9.014 9.014 8.720 0.294 25755 3415 1 14 . 1 1 7 7 VAL N N 7 127.629 127.629 125.338 2.291 25755 3416 1 14 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.253 -0.227 25755 3417 1 14 . 1 1 7 7 VAL CA C 7 63.988 63.988 61.487 2.501 25755 3418 1 14 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.583 0.524 25755 3419 1 14 . 1 1 7 7 VAL H H 7 8.837 8.837 8.583 0.254 25755 3420 1 14 . 1 1 8 8 TYR N N 8 130.003 130.003 130.209 -0.206 25755 3421 1 14 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.753 -0.294 25755 3422 1 14 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.591 0.129 25755 3423 1 14 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.181 -2.163 25755 3424 1 14 . 1 1 8 8 TYR H H 8 9.251 9.251 8.558 0.693 25755 3425 1 14 . 1 1 9 9 GLU N N 9 130.851 130.851 125.193 5.658 25755 3426 1 14 . 1 1 9 9 GLU HA H 9 4.204 4.204 3.990 0.214 25755 3427 1 14 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.943 -0.426 25755 3428 1 14 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.427 -0.036 25755 3429 1 14 . 1 1 9 9 GLU H H 9 9.072 9.072 8.405 0.666 25755 3430 1 14 . 1 1 10 10 ASN N N 10 116.120 116.120 116.969 -0.849 25755 3431 1 14 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.578 -0.140 25755 3432 1 14 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.982 1.605 25755 3433 1 14 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.169 0.109 25755 3434 1 14 . 1 1 10 10 ASN H H 10 9.301 9.301 7.643 1.658 25755 3435 1 14 . 1 1 11 11 TYR N N 11 122.436 122.436 120.887 1.549 25755 3436 1 14 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.669 -0.475 25755 3437 1 14 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.509 2.103 25755 3438 1 14 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.970 -2.503 25755 3439 1 14 . 1 1 11 11 TYR H H 11 7.550 7.550 7.586 -0.036 25755 3440 1 14 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.577 -0.130 25755 3441 1 14 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.613 -0.115 25755 3442 1 14 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.906 -2.315 25755 3443 1 14 . 1 1 13 13 VAL N N 13 124.506 124.506 120.974 3.532 25755 3444 1 14 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.872 -0.036 25755 3445 1 14 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.518 1.243 25755 3446 1 14 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.758 -0.178 25755 3447 1 14 . 1 1 13 13 VAL H H 13 8.169 8.169 8.357 -0.188 25755 3448 1 14 . 1 1 14 14 SER N N 14 116.625 116.625 116.419 0.206 25755 3449 1 14 . 1 1 14 14 SER HA H 14 4.206 4.206 4.209 -0.003 25755 3450 1 14 . 1 1 14 14 SER CA C 14 61.194 61.194 61.557 -0.363 25755 3451 1 14 . 1 1 14 14 SER CB C 14 62.041 62.041 62.649 -0.608 25755 3452 1 14 . 1 1 14 14 SER H H 14 8.396 8.396 8.185 0.211 25755 3453 1 14 . 1 1 15 15 LYS N N 15 120.843 120.843 122.208 -1.365 25755 3454 1 14 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.043 0.157 25755 3455 1 14 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.133 0.490 25755 3456 1 14 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.127 0.059 25755 3457 1 14 . 1 1 15 15 LYS H H 15 7.791 7.791 7.959 -0.168 25755 3458 1 14 . 1 1 16 16 CYS N N 16 115.949 115.949 115.035 0.914 25755 3459 1 14 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.411 0.482 25755 3460 1 14 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.351 -3.781 25755 3461 1 14 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.350 15.087 25755 3462 1 14 . 1 1 16 16 CYS H H 16 7.870 7.870 7.575 0.295 25755 3463 1 14 . 1 1 17 17 GLN N N 17 117.241 117.241 116.997 0.244 25755 3464 1 14 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.284 -0.010 25755 3465 1 14 . 1 1 17 17 GLN CA C 17 56.937 56.937 55.889 1.048 25755 3466 1 14 . 1 1 17 17 GLN CB C 17 29.187 29.187 29.201 -0.014 25755 3467 1 14 . 1 1 17 17 GLN H H 17 7.560 7.560 7.669 -0.109 25755 3468 1 14 . 1 1 18 18 LEU N N 18 120.537 120.537 122.614 -2.077 25755 3469 1 14 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.127 0.313 25755 3470 1 14 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.539 -0.091 25755 3471 1 14 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.069 0.768 25755 3472 1 14 . 1 1 18 18 LEU H H 18 7.369 7.369 7.384 -0.015 25755 3473 1 14 . 1 1 19 19 ARG N N 19 121.697 121.697 122.373 -0.676 25755 3474 1 14 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.040 0.259 25755 3475 1 14 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.083 -0.247 25755 3476 1 14 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.109 0.283 25755 3477 1 14 . 1 1 19 19 ARG H H 19 8.447 8.447 8.011 0.436 25755 3478 1 14 . 1 1 20 20 ILE N N 20 116.439 116.439 117.162 -0.723 25755 3479 1 14 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.042 0.092 25755 3480 1 14 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.463 0.034 25755 3481 1 14 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.145 0.019 25755 3482 1 14 . 1 1 20 20 ILE H H 20 7.758 7.758 7.780 -0.022 25755 3483 1 14 . 1 1 21 21 ALA N N 21 122.642 122.642 123.069 -0.427 25755 3484 1 14 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.523 -0.141 25755 3485 1 14 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.437 0.959 25755 3486 1 14 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.542 0.556 25755 3487 1 14 . 1 1 21 21 ALA H H 21 7.727 7.727 7.230 0.497 25755 3488 1 14 . 1 1 22 22 ASN N N 22 116.616 116.616 121.642 -5.026 25755 3489 1 14 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.682 0.109 25755 3490 1 14 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.786 0.091 25755 3491 1 14 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.964 -0.410 25755 3492 1 14 . 1 1 22 22 ASN H H 22 8.307 8.307 8.575 -0.268 25755 3493 1 14 . 1 1 23 23 GLN N N 23 124.357 124.357 123.151 1.206 25755 3494 1 14 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.305 -0.287 25755 3495 1 14 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.848 0.800 25755 3496 1 14 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.694 0.705 25755 3497 1 14 . 1 1 23 23 GLN H H 23 8.542 8.542 8.160 0.382 25755 3498 1 14 . 1 1 24 24 CYS N N 24 118.909 118.909 119.215 -0.306 25755 3499 1 14 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.094 0.190 25755 3500 1 14 . 1 1 24 24 CYS CA C 24 58.406 58.406 63.337 -4.931 25755 3501 1 14 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.673 12.103 25755 3502 1 14 . 1 1 24 24 CYS H H 24 8.352 8.352 8.660 -0.308 25755 3503 1 14 . 1 1 25 25 ASN N N 25 118.182 118.182 117.425 0.757 25755 3504 1 14 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.427 -0.539 25755 3505 1 14 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.834 0.838 25755 3506 1 14 . 1 1 25 25 ASN CB C 25 39.773 39.773 38.455 1.318 25755 3507 1 14 . 1 1 25 25 ASN H H 25 7.504 7.504 8.381 -0.877 25755 3508 1 14 . 1 1 26 26 TYR N N 26 117.354 117.354 118.968 -1.614 25755 3509 1 14 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.167 -0.202 25755 3510 1 14 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.844 0.318 25755 3511 1 14 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.962 -0.332 25755 3512 1 14 . 1 1 26 26 TYR H H 26 7.322 7.322 7.544 -0.222 25755 3513 1 14 . 1 1 27 27 ASP N N 27 119.874 119.874 120.278 -0.404 25755 3514 1 14 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.271 0.384 25755 3515 1 14 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.904 -0.314 25755 3516 1 14 . 1 1 27 27 ASP H H 27 9.218 9.218 8.495 0.723 25755 3517 1 14 . 1 1 28 28 CYS N N 28 119.782 119.782 118.731 1.051 25755 3518 1 14 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.937 0.231 25755 3519 1 14 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.567 -1.653 25755 3520 1 14 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.398 10.547 25755 3521 1 14 . 1 1 28 28 CYS H H 28 9.171 9.171 8.284 0.887 25755 3522 1 14 . 1 1 29 29 LYS N N 29 119.663 119.663 118.765 0.898 25755 3523 1 14 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.940 0.197 25755 3524 1 14 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.787 0.994 25755 3525 1 14 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.887 0.526 25755 3526 1 14 . 1 1 29 29 LYS H H 29 7.546 7.546 7.386 0.160 25755 3527 1 14 . 1 1 30 30 LEU N N 30 119.987 119.987 121.266 -1.279 25755 3528 1 14 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.794 0.317 25755 3529 1 14 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.777 -0.105 25755 3530 1 14 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.231 0.148 25755 3531 1 14 . 1 1 30 30 LEU H H 30 8.226 8.226 8.041 0.185 25755 3532 1 14 . 1 1 31 31 ASP N N 31 116.853 116.853 115.189 1.664 25755 3533 1 14 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.528 0.018 25755 3534 1 14 . 1 1 31 31 ASP CA C 31 56.266 56.266 56.054 0.212 25755 3535 1 14 . 1 1 31 31 ASP CB C 31 40.478 40.478 42.275 -1.797 25755 3536 1 14 . 1 1 31 31 ASP H H 31 9.019 9.019 7.810 1.209 25755 3537 1 14 . 1 1 32 32 LYS N N 32 112.075 112.075 117.394 -5.319 25755 3538 1 14 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.112 0.437 25755 3539 1 14 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.699 -4.234 25755 3540 1 14 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.739 -0.874 25755 3541 1 14 . 1 1 32 32 LYS H H 32 6.639 6.639 8.199 -1.560 25755 3542 1 14 . 1 1 33 33 HIS N N 33 112.955 112.955 114.601 -1.646 25755 3543 1 14 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.127 0.496 25755 3544 1 14 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.495 0.991 25755 3545 1 14 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.376 -2.682 25755 3546 1 14 . 1 1 33 33 HIS H H 33 7.065 7.065 8.002 -0.937 25755 3547 1 14 . 1 1 34 34 ALA N N 34 120.177 120.177 119.100 1.077 25755 3548 1 14 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.725 0.424 25755 3549 1 14 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.382 -1.603 25755 3550 1 14 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.587 -0.469 25755 3551 1 14 . 1 1 34 34 ALA H H 34 7.716 7.716 7.004 0.712 25755 3552 1 14 . 1 1 35 35 ARG N N 35 116.636 116.636 117.236 -0.600 25755 3553 1 14 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.014 0.192 25755 3554 1 14 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.533 -1.457 25755 3555 1 14 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.747 -0.031 25755 3556 1 14 . 1 1 35 35 ARG H H 35 8.295 8.295 7.991 0.304 25755 3557 1 14 . 1 1 36 36 SER N N 36 109.273 109.273 111.075 -1.802 25755 3558 1 14 . 1 1 36 36 SER HA H 36 4.646 4.646 4.409 0.237 25755 3559 1 14 . 1 1 36 36 SER CA C 36 57.703 57.703 58.117 -0.414 25755 3560 1 14 . 1 1 36 36 SER CB C 36 65.425 65.425 65.084 0.341 25755 3561 1 14 . 1 1 36 36 SER H H 36 8.026 8.026 7.977 0.049 25755 3562 1 14 . 1 1 37 37 GLY N N 37 107.305 107.305 110.165 -2.860 25755 3563 1 14 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.855 2.297 25755 3564 1 14 . 1 1 37 37 GLY H H 37 8.679 8.679 7.845 0.834 25755 3565 1 14 . 1 1 38 38 GLU N N 38 119.065 119.065 122.354 -3.289 25755 3566 1 14 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.547 -0.145 25755 3567 1 14 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.638 1.135 25755 3568 1 14 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.910 -2.088 25755 3569 1 14 . 1 1 38 38 GLU H H 38 8.351 8.351 8.802 -0.451 25755 3570 1 14 . 1 1 39 39 CYS N N 39 121.636 121.636 118.372 3.264 25755 3571 1 14 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.430 0.557 25755 3572 1 14 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.784 -1.056 25755 3573 1 14 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.752 16.267 25755 3574 1 14 . 1 1 39 39 CYS H H 39 8.839 8.839 8.300 0.539 25755 3575 1 14 . 1 1 40 40 PHE N N 40 121.987 121.987 120.293 1.694 25755 3576 1 14 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.814 -0.044 25755 3577 1 14 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.529 0.440 25755 3578 1 14 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.895 0.865 25755 3579 1 14 . 1 1 40 40 PHE H H 40 9.214 9.214 8.970 0.244 25755 3580 1 14 . 1 1 41 41 TYR N N 41 121.905 121.905 119.680 2.225 25755 3581 1 14 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.599 0.361 25755 3582 1 14 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.437 -0.905 25755 3583 1 14 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.024 1.278 25755 3584 1 14 . 1 1 41 41 TYR H H 41 8.557 8.557 8.672 -0.115 25755 3585 1 14 . 1 1 42 42 ASP N N 42 123.133 123.133 120.553 2.580 25755 3586 1 14 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.808 -0.055 25755 3587 1 14 . 1 1 42 42 ASP CA C 42 52.426 52.426 53.139 -0.713 25755 3588 1 14 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.815 -1.195 25755 3589 1 14 . 1 1 42 42 ASP H H 42 8.603 8.603 8.251 0.352 25755 3590 1 14 . 1 1 43 43 GLU N N 43 118.012 118.012 119.313 -1.301 25755 3591 1 14 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.126 0.083 25755 3592 1 14 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.773 0.092 25755 3593 1 14 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.572 -0.335 25755 3594 1 14 . 1 1 43 43 GLU H H 43 9.081 9.081 8.723 0.358 25755 3595 1 14 . 1 1 44 44 LYS N N 44 120.047 120.047 117.424 2.623 25755 3596 1 14 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.396 0.048 25755 3597 1 14 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.323 0.338 25755 3598 1 14 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.631 -0.592 25755 3599 1 14 . 1 1 44 44 LYS H H 44 8.162 8.162 7.778 0.384 25755 3600 1 14 . 1 1 45 45 ARG N N 45 113.453 113.453 116.414 -2.961 25755 3601 1 14 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.142 -0.479 25755 3602 1 14 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.793 0.943 25755 3603 1 14 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.500 -1.111 25755 3604 1 14 . 1 1 45 45 ARG H H 45 8.335 8.335 7.806 0.529 25755 3605 1 14 . 1 1 46 46 ASN N N 46 118.207 118.207 116.402 1.805 25755 3606 1 14 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.944 0.038 25755 3607 1 14 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.909 1.157 25755 3608 1 14 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.067 0.226 25755 3609 1 14 . 1 1 46 46 ASN H H 46 8.745 8.745 8.274 0.471 25755 3610 1 14 . 1 1 47 47 LEU N N 47 125.815 125.815 126.719 -0.904 25755 3611 1 14 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.024 0.255 25755 3612 1 14 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.225 0.065 25755 3613 1 14 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.135 2.171 25755 3614 1 14 . 1 1 47 47 LEU H H 47 8.509 8.509 8.751 -0.242 25755 3615 1 14 . 1 1 48 48 GLN N N 48 120.834 120.834 122.854 -2.020 25755 3616 1 14 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.632 0.104 25755 3617 1 14 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.675 -0.570 25755 3618 1 14 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.186 -0.320 25755 3619 1 14 . 1 1 48 48 GLN H H 48 8.589 8.589 8.990 -0.401 25755 3620 1 14 . 1 1 49 49 CYS N N 49 121.829 121.829 121.870 -0.041 25755 3621 1 14 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.575 0.283 25755 3622 1 14 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.047 -4.092 25755 3623 1 14 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.724 12.721 25755 3624 1 14 . 1 1 49 49 CYS H H 49 9.247 9.247 9.022 0.225 25755 3625 1 14 . 1 1 50 50 ILE N N 50 129.010 129.010 129.152 -0.142 25755 3626 1 14 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.456 -0.070 25755 3627 1 14 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.730 -1.309 25755 3628 1 14 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.977 -0.573 25755 3629 1 14 . 1 1 50 50 ILE H H 50 8.787 8.787 8.470 0.317 25755 3630 1 14 . 1 1 51 51 CYS N N 51 126.108 126.108 127.284 -1.176 25755 3631 1 14 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.702 0.635 25755 3632 1 14 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.384 -6.566 25755 3633 1 14 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.805 6.178 25755 3634 1 14 . 1 1 51 51 CYS H H 51 8.556 8.556 9.316 -0.760 25755 3635 1 14 . 1 1 52 52 ASP N N 52 122.342 122.342 120.351 1.991 25755 3636 1 14 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.856 0.657 25755 3637 1 14 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.807 -1.224 25755 3638 1 14 . 1 1 52 52 ASP CB C 52 42.831 42.831 43.205 -0.374 25755 3639 1 14 . 1 1 52 52 ASP H H 52 8.826 8.826 8.441 0.385 25755 3640 1 14 . 1 1 53 53 TYR N N 53 125.370 125.370 122.993 2.377 25755 3641 1 14 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.571 -0.313 25755 3642 1 14 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.889 0.776 25755 3643 1 14 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.244 -0.461 25755 3644 1 14 . 1 1 53 53 TYR H H 53 9.734 9.734 8.707 1.027 25755 3645 1 14 . 1 1 54 54 CYS N N 54 120.418 120.418 121.362 -0.944 25755 3646 1 14 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.470 0.024 25755 3647 1 14 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.627 -4.484 25755 3648 1 14 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.967 15.415 25755 3649 1 14 . 1 1 54 54 CYS H H 54 9.478 9.478 8.849 0.629 25755 3650 1 14 . 1 1 55 55 GLU N N 55 121.097 121.097 118.956 2.141 25755 3651 1 14 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.693 -0.381 25755 3652 1 14 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.057 -0.047 25755 3653 1 14 . 1 1 55 55 GLU CB C 55 31.014 31.014 32.499 -1.485 25755 3654 1 14 . 1 1 55 55 GLU H H 55 8.423 8.423 7.996 0.427 25755 3655 1 15 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.347 -0.096 25755 3656 1 15 . 1 1 2 2 ASP CA C 2 59.484 59.484 55.180 4.304 25755 3657 1 15 . 1 1 2 2 ASP CB C 2 39.412 39.412 39.932 -0.520 25755 3658 1 15 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.329 0.016 25755 3659 1 15 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.542 1.014 25755 3660 1 15 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.343 0.250 25755 3661 1 15 . 1 1 4 4 CYS N N 4 117.049 117.049 117.934 -0.885 25755 3662 1 15 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.909 -0.181 25755 3663 1 15 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.222 0.193 25755 3664 1 15 . 1 1 4 4 CYS CB C 4 41.843 41.843 28.819 13.024 25755 3665 1 15 . 1 1 4 4 CYS H H 4 8.486 8.486 7.695 0.791 25755 3666 1 15 . 1 1 5 5 LYS N N 5 118.790 118.790 121.415 -2.625 25755 3667 1 15 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.860 0.711 25755 3668 1 15 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.815 -0.525 25755 3669 1 15 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.814 -0.208 25755 3670 1 15 . 1 1 5 5 LYS H H 5 8.007 8.007 8.223 -0.216 25755 3671 1 15 . 1 1 6 6 LYS N N 6 121.177 121.177 120.618 0.559 25755 3672 1 15 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.633 0.152 25755 3673 1 15 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.298 -0.756 25755 3674 1 15 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.756 1.146 25755 3675 1 15 . 1 1 6 6 LYS H H 6 9.014 9.014 8.833 0.181 25755 3676 1 15 . 1 1 7 7 VAL N N 7 127.629 127.629 125.158 2.471 25755 3677 1 15 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.028 -0.002 25755 3678 1 15 . 1 1 7 7 VAL CA C 7 63.988 63.988 63.223 0.765 25755 3679 1 15 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.564 0.543 25755 3680 1 15 . 1 1 7 7 VAL H H 7 8.837 8.837 8.622 0.215 25755 3681 1 15 . 1 1 8 8 TYR N N 8 130.003 130.003 129.109 0.894 25755 3682 1 15 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.714 -0.255 25755 3683 1 15 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.509 0.211 25755 3684 1 15 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.018 -2.000 25755 3685 1 15 . 1 1 8 8 TYR H H 8 9.251 9.251 8.267 0.984 25755 3686 1 15 . 1 1 9 9 GLU N N 9 130.851 130.851 124.506 6.345 25755 3687 1 15 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.075 0.129 25755 3688 1 15 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.502 0.015 25755 3689 1 15 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.499 -0.108 25755 3690 1 15 . 1 1 9 9 GLU H H 9 9.072 9.072 8.458 0.614 25755 3691 1 15 . 1 1 10 10 ASN N N 10 116.120 116.120 117.499 -1.379 25755 3692 1 15 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.582 -0.144 25755 3693 1 15 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.689 1.898 25755 3694 1 15 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.393 -0.115 25755 3695 1 15 . 1 1 10 10 ASN H H 10 9.301 9.301 7.654 1.647 25755 3696 1 15 . 1 1 11 11 TYR N N 11 122.436 122.436 119.431 3.005 25755 3697 1 15 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.610 -0.416 25755 3698 1 15 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.380 2.232 25755 3699 1 15 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.821 -2.354 25755 3700 1 15 . 1 1 11 11 TYR H H 11 7.550 7.550 7.344 0.206 25755 3701 1 15 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.553 -0.106 25755 3702 1 15 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.647 -0.149 25755 3703 1 15 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.725 -2.135 25755 3704 1 15 . 1 1 13 13 VAL N N 13 124.506 124.506 122.357 2.149 25755 3705 1 15 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.844 -0.008 25755 3706 1 15 . 1 1 13 13 VAL CA C 13 65.761 65.761 65.011 0.750 25755 3707 1 15 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.630 -0.050 25755 3708 1 15 . 1 1 13 13 VAL H H 13 8.169 8.169 8.401 -0.232 25755 3709 1 15 . 1 1 14 14 SER N N 14 116.625 116.625 116.696 -0.071 25755 3710 1 15 . 1 1 14 14 SER HA H 14 4.206 4.206 4.388 -0.182 25755 3711 1 15 . 1 1 14 14 SER CA C 14 61.194 61.194 62.128 -0.934 25755 3712 1 15 . 1 1 14 14 SER CB C 14 62.041 62.041 62.663 -0.623 25755 3713 1 15 . 1 1 14 14 SER H H 14 8.396 8.396 8.276 0.120 25755 3714 1 15 . 1 1 15 15 LYS N N 15 120.843 120.843 121.929 -1.086 25755 3715 1 15 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.033 0.167 25755 3716 1 15 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.145 0.478 25755 3717 1 15 . 1 1 15 15 LYS CB C 15 32.186 32.186 31.970 0.216 25755 3718 1 15 . 1 1 15 15 LYS H H 15 7.791 7.791 7.667 0.124 25755 3719 1 15 . 1 1 16 16 CYS N N 16 115.949 115.949 117.552 -1.603 25755 3720 1 15 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.510 0.383 25755 3721 1 15 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.155 -4.585 25755 3722 1 15 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.746 14.691 25755 3723 1 15 . 1 1 16 16 CYS H H 16 7.870 7.870 7.539 0.331 25755 3724 1 15 . 1 1 17 17 GLN N N 17 117.241 117.241 117.343 -0.102 25755 3725 1 15 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.081 0.193 25755 3726 1 15 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.215 -0.279 25755 3727 1 15 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.639 0.548 25755 3728 1 15 . 1 1 17 17 GLN H H 17 7.560 7.560 7.654 -0.094 25755 3729 1 15 . 1 1 18 18 LEU N N 18 120.537 120.537 121.282 -0.745 25755 3730 1 15 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.132 0.308 25755 3731 1 15 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.355 0.093 25755 3732 1 15 . 1 1 18 18 LEU CB C 18 41.837 41.837 41.043 0.794 25755 3733 1 15 . 1 1 18 18 LEU H H 18 7.369 7.369 7.364 0.005 25755 3734 1 15 . 1 1 19 19 ARG N N 19 121.697 121.697 122.674 -0.977 25755 3735 1 15 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.053 0.246 25755 3736 1 15 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.486 -0.650 25755 3737 1 15 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.235 0.157 25755 3738 1 15 . 1 1 19 19 ARG H H 19 8.447 8.447 8.008 0.439 25755 3739 1 15 . 1 1 20 20 ILE N N 20 116.439 116.439 116.609 -0.170 25755 3740 1 15 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.045 0.089 25755 3741 1 15 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.392 0.106 25755 3742 1 15 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.185 -0.021 25755 3743 1 15 . 1 1 20 20 ILE H H 20 7.758 7.758 7.750 0.008 25755 3744 1 15 . 1 1 21 21 ALA N N 21 122.642 122.642 122.966 -0.324 25755 3745 1 15 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.526 -0.144 25755 3746 1 15 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.578 0.817 25755 3747 1 15 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.677 0.421 25755 3748 1 15 . 1 1 21 21 ALA H H 21 7.727 7.727 7.223 0.504 25755 3749 1 15 . 1 1 22 22 ASN N N 22 116.616 116.616 121.809 -5.193 25755 3750 1 15 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.933 -0.142 25755 3751 1 15 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.237 0.640 25755 3752 1 15 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.062 -0.508 25755 3753 1 15 . 1 1 22 22 ASN H H 22 8.307 8.307 8.492 -0.185 25755 3754 1 15 . 1 1 23 23 GLN N N 23 124.357 124.357 123.739 0.618 25755 3755 1 15 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.266 -0.248 25755 3756 1 15 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.671 0.977 25755 3757 1 15 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.787 0.612 25755 3758 1 15 . 1 1 23 23 GLN H H 23 8.542 8.542 8.337 0.205 25755 3759 1 15 . 1 1 24 24 CYS N N 24 118.909 118.909 119.019 -0.110 25755 3760 1 15 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.010 0.274 25755 3761 1 15 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.859 -4.453 25755 3762 1 15 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.991 11.785 25755 3763 1 15 . 1 1 24 24 CYS H H 24 8.352 8.352 8.492 -0.140 25755 3764 1 15 . 1 1 25 25 ASN N N 25 118.182 118.182 119.287 -1.105 25755 3765 1 15 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.256 -0.368 25755 3766 1 15 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.477 1.195 25755 3767 1 15 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.285 2.488 25755 3768 1 15 . 1 1 25 25 ASN H H 25 7.504 7.504 8.439 -0.935 25755 3769 1 15 . 1 1 26 26 TYR N N 26 117.354 117.354 119.270 -1.916 25755 3770 1 15 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.173 -0.208 25755 3771 1 15 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.624 0.537 25755 3772 1 15 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.770 -0.140 25755 3773 1 15 . 1 1 26 26 TYR H H 26 7.322 7.322 7.600 -0.278 25755 3774 1 15 . 1 1 27 27 ASP N N 27 119.874 119.874 120.150 -0.276 25755 3775 1 15 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.320 0.335 25755 3776 1 15 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.719 -0.130 25755 3777 1 15 . 1 1 27 27 ASP H H 27 9.218 9.218 8.140 1.078 25755 3778 1 15 . 1 1 28 28 CYS N N 28 119.782 119.782 119.009 0.773 25755 3779 1 15 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.870 0.298 25755 3780 1 15 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.663 -1.749 25755 3781 1 15 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.204 10.741 25755 3782 1 15 . 1 1 28 28 CYS H H 28 9.171 9.171 8.264 0.907 25755 3783 1 15 . 1 1 29 29 LYS N N 29 119.663 119.663 118.944 0.719 25755 3784 1 15 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.841 0.296 25755 3785 1 15 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.958 0.823 25755 3786 1 15 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.710 0.703 25755 3787 1 15 . 1 1 29 29 LYS H H 29 7.546 7.546 7.414 0.132 25755 3788 1 15 . 1 1 30 30 LEU N N 30 119.987 119.987 120.349 -0.362 25755 3789 1 15 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.785 0.326 25755 3790 1 15 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.992 -0.320 25755 3791 1 15 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.145 0.234 25755 3792 1 15 . 1 1 30 30 LEU H H 30 8.226 8.226 7.521 0.705 25755 3793 1 15 . 1 1 31 31 ASP N N 31 116.853 116.853 116.683 0.170 25755 3794 1 15 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.634 -0.088 25755 3795 1 15 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.726 0.540 25755 3796 1 15 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.542 -1.064 25755 3797 1 15 . 1 1 31 31 ASP H H 31 9.019 9.019 7.739 1.280 25755 3798 1 15 . 1 1 32 32 LYS N N 32 112.075 112.075 118.389 -6.314 25755 3799 1 15 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.159 0.390 25755 3800 1 15 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.718 -4.253 25755 3801 1 15 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.589 -0.724 25755 3802 1 15 . 1 1 32 32 LYS H H 32 6.639 6.639 8.298 -1.659 25755 3803 1 15 . 1 1 33 33 HIS N N 33 112.955 112.955 114.854 -1.899 25755 3804 1 15 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.161 0.462 25755 3805 1 15 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.959 0.527 25755 3806 1 15 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.107 -2.413 25755 3807 1 15 . 1 1 33 33 HIS H H 33 7.065 7.065 8.021 -0.956 25755 3808 1 15 . 1 1 34 34 ALA N N 34 120.177 120.177 119.103 1.074 25755 3809 1 15 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.819 0.330 25755 3810 1 15 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.440 -1.661 25755 3811 1 15 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.541 -0.423 25755 3812 1 15 . 1 1 34 34 ALA H H 34 7.716 7.716 7.016 0.700 25755 3813 1 15 . 1 1 35 35 ARG N N 35 116.636 116.636 117.098 -0.462 25755 3814 1 15 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.130 0.076 25755 3815 1 15 . 1 1 35 35 ARG CA C 35 58.076 58.076 59.407 -1.331 25755 3816 1 15 . 1 1 35 35 ARG CB C 35 30.717 30.717 31.115 -0.398 25755 3817 1 15 . 1 1 35 35 ARG H H 35 8.295 8.295 8.284 0.011 25755 3818 1 15 . 1 1 36 36 SER N N 36 109.273 109.273 111.275 -2.002 25755 3819 1 15 . 1 1 36 36 SER HA H 36 4.646 4.646 4.465 0.181 25755 3820 1 15 . 1 1 36 36 SER CA C 36 57.703 57.703 58.535 -0.832 25755 3821 1 15 . 1 1 36 36 SER CB C 36 65.425 65.425 66.518 -1.093 25755 3822 1 15 . 1 1 36 36 SER H H 36 8.026 8.026 8.840 -0.814 25755 3823 1 15 . 1 1 37 37 GLY N N 37 107.305 107.305 112.591 -5.286 25755 3824 1 15 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.260 1.892 25755 3825 1 15 . 1 1 37 37 GLY H H 37 8.679 8.679 8.399 0.280 25755 3826 1 15 . 1 1 38 38 GLU N N 38 119.065 119.065 122.533 -3.468 25755 3827 1 15 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.583 -0.181 25755 3828 1 15 . 1 1 38 38 GLU CA C 38 55.773 55.773 55.421 0.352 25755 3829 1 15 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.914 -2.092 25755 3830 1 15 . 1 1 38 38 GLU H H 38 8.351 8.351 8.807 -0.456 25755 3831 1 15 . 1 1 39 39 CYS N N 39 121.636 121.636 118.702 2.934 25755 3832 1 15 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.310 0.677 25755 3833 1 15 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.895 -1.167 25755 3834 1 15 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.359 16.660 25755 3835 1 15 . 1 1 39 39 CYS H H 39 8.839 8.839 8.267 0.572 25755 3836 1 15 . 1 1 40 40 PHE N N 40 121.987 121.987 120.289 1.698 25755 3837 1 15 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.740 0.030 25755 3838 1 15 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.569 0.400 25755 3839 1 15 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.880 0.880 25755 3840 1 15 . 1 1 40 40 PHE H H 40 9.214 9.214 8.839 0.375 25755 3841 1 15 . 1 1 41 41 TYR N N 41 121.905 121.905 120.077 1.828 25755 3842 1 15 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.690 0.270 25755 3843 1 15 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.548 -0.016 25755 3844 1 15 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.286 1.016 25755 3845 1 15 . 1 1 41 41 TYR H H 41 8.557 8.557 8.579 -0.022 25755 3846 1 15 . 1 1 42 42 ASP N N 42 123.133 123.133 119.576 3.557 25755 3847 1 15 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.692 0.061 25755 3848 1 15 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.771 -0.345 25755 3849 1 15 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.567 -0.947 25755 3850 1 15 . 1 1 42 42 ASP H H 42 8.603 8.603 8.345 0.258 25755 3851 1 15 . 1 1 43 43 GLU N N 43 118.012 118.012 119.364 -1.352 25755 3852 1 15 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.105 0.104 25755 3853 1 15 . 1 1 43 43 GLU CA C 43 58.865 58.865 59.234 -0.369 25755 3854 1 15 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.360 -0.123 25755 3855 1 15 . 1 1 43 43 GLU H H 43 9.081 9.081 8.711 0.370 25755 3856 1 15 . 1 1 44 44 LYS N N 44 120.047 120.047 116.609 3.438 25755 3857 1 15 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.349 0.095 25755 3858 1 15 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.584 0.077 25755 3859 1 15 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.714 -0.675 25755 3860 1 15 . 1 1 44 44 LYS H H 44 8.162 8.162 8.535 -0.373 25755 3861 1 15 . 1 1 45 45 ARG N N 45 113.453 113.453 115.836 -2.383 25755 3862 1 15 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.106 -0.443 25755 3863 1 15 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.850 0.886 25755 3864 1 15 . 1 1 45 45 ARG CB C 45 26.390 26.390 26.555 -0.165 25755 3865 1 15 . 1 1 45 45 ARG H H 45 8.335 8.335 8.080 0.255 25755 3866 1 15 . 1 1 46 46 ASN N N 46 118.207 118.207 117.736 0.471 25755 3867 1 15 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.041 -0.059 25755 3868 1 15 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.074 0.992 25755 3869 1 15 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.633 -0.340 25755 3870 1 15 . 1 1 46 46 ASN H H 46 8.745 8.745 9.167 -0.422 25755 3871 1 15 . 1 1 47 47 LEU N N 47 125.815 125.815 127.145 -1.330 25755 3872 1 15 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.028 0.251 25755 3873 1 15 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.120 0.170 25755 3874 1 15 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.154 2.152 25755 3875 1 15 . 1 1 47 47 LEU H H 47 8.509 8.509 8.920 -0.411 25755 3876 1 15 . 1 1 48 48 GLN N N 48 120.834 120.834 122.354 -1.520 25755 3877 1 15 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.660 0.076 25755 3878 1 15 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.891 0.214 25755 3879 1 15 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.102 -0.236 25755 3880 1 15 . 1 1 48 48 GLN H H 48 8.589 8.589 8.910 -0.321 25755 3881 1 15 . 1 1 49 49 CYS N N 49 121.829 121.829 123.546 -1.717 25755 3882 1 15 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.549 0.309 25755 3883 1 15 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.944 -3.989 25755 3884 1 15 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.542 12.903 25755 3885 1 15 . 1 1 49 49 CYS H H 49 9.247 9.247 8.937 0.310 25755 3886 1 15 . 1 1 50 50 ILE N N 50 129.010 129.010 130.028 -1.018 25755 3887 1 15 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.458 -0.072 25755 3888 1 15 . 1 1 50 50 ILE CA C 50 60.421 60.421 62.030 -1.609 25755 3889 1 15 . 1 1 50 50 ILE CB C 50 38.404 38.404 39.215 -0.811 25755 3890 1 15 . 1 1 50 50 ILE H H 50 8.787 8.787 7.919 0.868 25755 3891 1 15 . 1 1 51 51 CYS N N 51 126.108 126.108 126.863 -0.755 25755 3892 1 15 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.675 0.662 25755 3893 1 15 . 1 1 51 51 CYS CA C 51 51.818 51.818 57.920 -6.102 25755 3894 1 15 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.675 6.307 25755 3895 1 15 . 1 1 51 51 CYS H H 51 8.556 8.556 9.258 -0.702 25755 3896 1 15 . 1 1 52 52 ASP N N 52 122.342 122.342 119.043 3.299 25755 3897 1 15 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.955 0.558 25755 3898 1 15 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.089 -0.506 25755 3899 1 15 . 1 1 52 52 ASP CB C 52 42.831 42.831 41.186 1.645 25755 3900 1 15 . 1 1 52 52 ASP H H 52 8.826 8.826 8.564 0.262 25755 3901 1 15 . 1 1 53 53 TYR N N 53 125.370 125.370 122.168 3.202 25755 3902 1 15 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.706 -0.448 25755 3903 1 15 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.228 0.437 25755 3904 1 15 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.179 -0.396 25755 3905 1 15 . 1 1 53 53 TYR H H 53 9.734 9.734 8.591 1.143 25755 3906 1 15 . 1 1 54 54 CYS N N 54 120.418 120.418 120.931 -0.513 25755 3907 1 15 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.473 0.021 25755 3908 1 15 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.796 -4.653 25755 3909 1 15 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.024 15.358 25755 3910 1 15 . 1 1 54 54 CYS H H 54 9.478 9.478 8.979 0.499 25755 3911 1 15 . 1 1 55 55 GLU N N 55 121.097 121.097 119.621 1.476 25755 3912 1 15 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.979 -0.667 25755 3913 1 15 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.059 -0.049 25755 3914 1 15 . 1 1 55 55 GLU CB C 55 31.014 31.014 32.344 -1.330 25755 3915 1 15 . 1 1 55 55 GLU H H 55 8.423 8.423 8.208 0.215 25755 3916 1 16 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.772 -0.521 25755 3917 1 16 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.363 5.121 25755 3918 1 16 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.857 -1.445 25755 3919 1 16 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.444 -0.099 25755 3920 1 16 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.319 1.237 25755 3921 1 16 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.489 0.104 25755 3922 1 16 . 1 1 4 4 CYS N N 4 117.049 117.049 120.079 -3.030 25755 3923 1 16 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.863 -0.135 25755 3924 1 16 . 1 1 4 4 CYS CA C 4 57.415 57.415 58.044 -0.629 25755 3925 1 16 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.060 12.783 25755 3926 1 16 . 1 1 4 4 CYS H H 4 8.486 8.486 8.287 0.199 25755 3927 1 16 . 1 1 5 5 LYS N N 5 118.790 118.790 120.999 -2.209 25755 3928 1 16 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.850 0.721 25755 3929 1 16 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.472 -0.182 25755 3930 1 16 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.200 -0.595 25755 3931 1 16 . 1 1 5 5 LYS H H 5 8.007 8.007 8.289 -0.282 25755 3932 1 16 . 1 1 6 6 LYS N N 6 121.177 121.177 120.119 1.058 25755 3933 1 16 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.558 0.227 25755 3934 1 16 . 1 1 6 6 LYS CA C 6 55.542 55.542 56.281 -0.739 25755 3935 1 16 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.912 0.990 25755 3936 1 16 . 1 1 6 6 LYS H H 6 9.014 9.014 8.691 0.323 25755 3937 1 16 . 1 1 7 7 VAL N N 7 127.629 127.629 124.801 2.828 25755 3938 1 16 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.138 -0.112 25755 3939 1 16 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.534 1.454 25755 3940 1 16 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.887 0.220 25755 3941 1 16 . 1 1 7 7 VAL H H 7 8.837 8.837 8.587 0.250 25755 3942 1 16 . 1 1 8 8 TYR N N 8 130.003 130.003 130.056 -0.053 25755 3943 1 16 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.745 -0.286 25755 3944 1 16 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.413 0.307 25755 3945 1 16 . 1 1 8 8 TYR CB C 8 36.018 36.018 38.218 -2.200 25755 3946 1 16 . 1 1 8 8 TYR H H 8 9.251 9.251 8.423 0.828 25755 3947 1 16 . 1 1 9 9 GLU N N 9 130.851 130.851 124.690 6.161 25755 3948 1 16 . 1 1 9 9 GLU HA H 9 4.204 4.204 3.997 0.207 25755 3949 1 16 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.906 -0.389 25755 3950 1 16 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.410 -0.019 25755 3951 1 16 . 1 1 9 9 GLU H H 9 9.072 9.072 8.419 0.653 25755 3952 1 16 . 1 1 10 10 ASN N N 10 116.120 116.120 117.191 -1.071 25755 3953 1 16 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.589 -0.151 25755 3954 1 16 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.875 1.712 25755 3955 1 16 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.256 0.022 25755 3956 1 16 . 1 1 10 10 ASN H H 10 9.301 9.301 7.644 1.657 25755 3957 1 16 . 1 1 11 11 TYR N N 11 122.436 122.436 120.484 1.952 25755 3958 1 16 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.624 -0.430 25755 3959 1 16 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.247 2.365 25755 3960 1 16 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.812 -2.345 25755 3961 1 16 . 1 1 11 11 TYR H H 11 7.550 7.550 7.648 -0.098 25755 3962 1 16 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.542 -0.095 25755 3963 1 16 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.479 0.019 25755 3964 1 16 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.529 -1.938 25755 3965 1 16 . 1 1 13 13 VAL N N 13 124.506 124.506 121.448 3.058 25755 3966 1 16 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.842 -0.006 25755 3967 1 16 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.685 1.076 25755 3968 1 16 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.451 0.129 25755 3969 1 16 . 1 1 13 13 VAL H H 13 8.169 8.169 8.452 -0.283 25755 3970 1 16 . 1 1 14 14 SER N N 14 116.625 116.625 117.292 -0.667 25755 3971 1 16 . 1 1 14 14 SER HA H 14 4.206 4.206 4.436 -0.230 25755 3972 1 16 . 1 1 14 14 SER CA C 14 61.194 61.194 61.669 -0.475 25755 3973 1 16 . 1 1 14 14 SER CB C 14 62.041 62.041 62.639 -0.598 25755 3974 1 16 . 1 1 14 14 SER H H 14 8.396 8.396 8.194 0.202 25755 3975 1 16 . 1 1 15 15 LYS N N 15 120.843 120.843 121.640 -0.797 25755 3976 1 16 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.030 0.170 25755 3977 1 16 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.202 0.421 25755 3978 1 16 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.164 0.022 25755 3979 1 16 . 1 1 15 15 LYS H H 15 7.791 7.791 8.091 -0.300 25755 3980 1 16 . 1 1 16 16 CYS N N 16 115.949 115.949 117.597 -1.648 25755 3981 1 16 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.462 0.431 25755 3982 1 16 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.377 -4.807 25755 3983 1 16 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.639 14.798 25755 3984 1 16 . 1 1 16 16 CYS H H 16 7.870 7.870 7.576 0.294 25755 3985 1 16 . 1 1 17 17 GLN N N 17 117.241 117.241 117.527 -0.286 25755 3986 1 16 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.064 0.210 25755 3987 1 16 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.490 -0.553 25755 3988 1 16 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.624 0.563 25755 3989 1 16 . 1 1 17 17 GLN H H 17 7.560 7.560 7.632 -0.072 25755 3990 1 16 . 1 1 18 18 LEU N N 18 120.537 120.537 121.615 -1.078 25755 3991 1 16 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.136 0.304 25755 3992 1 16 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.146 0.302 25755 3993 1 16 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.896 0.941 25755 3994 1 16 . 1 1 18 18 LEU H H 18 7.369 7.369 7.341 0.028 25755 3995 1 16 . 1 1 19 19 ARG N N 19 121.697 121.697 121.237 0.460 25755 3996 1 16 . 1 1 19 19 ARG HA H 19 4.299 4.299 3.999 0.300 25755 3997 1 16 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.417 -0.581 25755 3998 1 16 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.014 0.378 25755 3999 1 16 . 1 1 19 19 ARG H H 19 8.447 8.447 7.992 0.455 25755 4000 1 16 . 1 1 20 20 ILE N N 20 116.439 116.439 119.023 -2.584 25755 4001 1 16 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.104 0.030 25755 4002 1 16 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.249 0.248 25755 4003 1 16 . 1 1 20 20 ILE CB C 20 38.164 38.164 37.095 1.069 25755 4004 1 16 . 1 1 20 20 ILE H H 20 7.758 7.758 7.793 -0.035 25755 4005 1 16 . 1 1 21 21 ALA N N 21 122.642 122.642 123.257 -0.615 25755 4006 1 16 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.519 -0.137 25755 4007 1 16 . 1 1 21 21 ALA CA C 21 52.395 52.395 50.899 1.496 25755 4008 1 16 . 1 1 21 21 ALA CB C 21 20.098 20.098 17.933 2.165 25755 4009 1 16 . 1 1 21 21 ALA H H 21 7.727 7.727 7.887 -0.160 25755 4010 1 16 . 1 1 22 22 ASN N N 22 116.616 116.616 120.908 -4.292 25755 4011 1 16 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.819 -0.028 25755 4012 1 16 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.797 0.080 25755 4013 1 16 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.218 -0.664 25755 4014 1 16 . 1 1 22 22 ASN H H 22 8.307 8.307 8.478 -0.171 25755 4015 1 16 . 1 1 23 23 GLN N N 23 124.357 124.357 123.269 1.088 25755 4016 1 16 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.356 -0.338 25755 4017 1 16 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.637 1.011 25755 4018 1 16 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.655 0.744 25755 4019 1 16 . 1 1 23 23 GLN H H 23 8.542 8.542 8.189 0.353 25755 4020 1 16 . 1 1 24 24 CYS N N 24 118.909 118.909 119.607 -0.698 25755 4021 1 16 . 1 1 24 24 CYS HA H 24 4.284 4.284 3.958 0.326 25755 4022 1 16 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.926 -4.520 25755 4023 1 16 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.590 12.186 25755 4024 1 16 . 1 1 24 24 CYS H H 24 8.352 8.352 8.834 -0.482 25755 4025 1 16 . 1 1 25 25 ASN N N 25 118.182 118.182 119.790 -1.608 25755 4026 1 16 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.260 -0.372 25755 4027 1 16 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.724 0.948 25755 4028 1 16 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.217 2.557 25755 4029 1 16 . 1 1 25 25 ASN H H 25 7.504 7.504 8.493 -0.989 25755 4030 1 16 . 1 1 26 26 TYR N N 26 117.354 117.354 120.393 -3.039 25755 4031 1 16 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.178 -0.213 25755 4032 1 16 . 1 1 26 26 TYR CA C 26 62.162 62.162 62.008 0.154 25755 4033 1 16 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.848 -0.218 25755 4034 1 16 . 1 1 26 26 TYR H H 26 7.322 7.322 7.562 -0.240 25755 4035 1 16 . 1 1 27 27 ASP N N 27 119.874 119.874 119.977 -0.103 25755 4036 1 16 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.350 0.305 25755 4037 1 16 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.784 -0.194 25755 4038 1 16 . 1 1 27 27 ASP H H 27 9.218 9.218 8.296 0.922 25755 4039 1 16 . 1 1 28 28 CYS N N 28 119.782 119.782 119.004 0.778 25755 4040 1 16 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.928 0.240 25755 4041 1 16 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.714 -1.800 25755 4042 1 16 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.217 10.728 25755 4043 1 16 . 1 1 28 28 CYS H H 28 9.171 9.171 8.310 0.861 25755 4044 1 16 . 1 1 29 29 LYS N N 29 119.663 119.663 119.130 0.533 25755 4045 1 16 . 1 1 29 29 LYS HA H 29 4.137 4.137 4.026 0.111 25755 4046 1 16 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.121 0.660 25755 4047 1 16 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.915 0.498 25755 4048 1 16 . 1 1 29 29 LYS H H 29 7.546 7.546 7.490 0.056 25755 4049 1 16 . 1 1 30 30 LEU N N 30 119.987 119.987 120.988 -1.001 25755 4050 1 16 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.916 0.195 25755 4051 1 16 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.774 -0.102 25755 4052 1 16 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.292 0.087 25755 4053 1 16 . 1 1 30 30 LEU H H 30 8.226 8.226 7.801 0.425 25755 4054 1 16 . 1 1 31 31 ASP N N 31 116.853 116.853 116.591 0.262 25755 4055 1 16 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.638 -0.092 25755 4056 1 16 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.436 0.830 25755 4057 1 16 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.104 -0.626 25755 4058 1 16 . 1 1 31 31 ASP H H 31 9.019 9.019 7.845 1.174 25755 4059 1 16 . 1 1 32 32 LYS N N 32 112.075 112.075 118.775 -6.700 25755 4060 1 16 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.169 0.380 25755 4061 1 16 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.596 -4.131 25755 4062 1 16 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.653 -0.788 25755 4063 1 16 . 1 1 32 32 LYS H H 32 6.639 6.639 8.236 -1.597 25755 4064 1 16 . 1 1 33 33 HIS N N 33 112.955 112.955 114.912 -1.957 25755 4065 1 16 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.184 0.439 25755 4066 1 16 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.285 1.201 25755 4067 1 16 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.410 -2.716 25755 4068 1 16 . 1 1 33 33 HIS H H 33 7.065 7.065 8.127 -1.062 25755 4069 1 16 . 1 1 34 34 ALA N N 34 120.177 120.177 119.668 0.509 25755 4070 1 16 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.702 0.447 25755 4071 1 16 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.451 -1.672 25755 4072 1 16 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.640 -0.522 25755 4073 1 16 . 1 1 34 34 ALA H H 34 7.716 7.716 7.140 0.576 25755 4074 1 16 . 1 1 35 35 ARG N N 35 116.636 116.636 116.975 -0.339 25755 4075 1 16 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.422 -0.216 25755 4076 1 16 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.976 -0.900 25755 4077 1 16 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.844 -0.127 25755 4078 1 16 . 1 1 35 35 ARG H H 35 8.295 8.295 7.993 0.302 25755 4079 1 16 . 1 1 36 36 SER N N 36 109.273 109.273 111.704 -2.431 25755 4080 1 16 . 1 1 36 36 SER HA H 36 4.646 4.646 4.463 0.183 25755 4081 1 16 . 1 1 36 36 SER CA C 36 57.703 57.703 57.918 -0.215 25755 4082 1 16 . 1 1 36 36 SER CB C 36 65.425 65.425 65.103 0.322 25755 4083 1 16 . 1 1 36 36 SER H H 36 8.026 8.026 8.033 -0.007 25755 4084 1 16 . 1 1 37 37 GLY N N 37 107.305 107.305 110.499 -3.194 25755 4085 1 16 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.898 2.254 25755 4086 1 16 . 1 1 37 37 GLY H H 37 8.679 8.679 7.824 0.855 25755 4087 1 16 . 1 1 38 38 GLU N N 38 119.065 119.065 122.086 -3.021 25755 4088 1 16 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.560 -0.158 25755 4089 1 16 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.805 0.968 25755 4090 1 16 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.965 -2.143 25755 4091 1 16 . 1 1 38 38 GLU H H 38 8.351 8.351 8.908 -0.557 25755 4092 1 16 . 1 1 39 39 CYS N N 39 121.636 121.636 118.119 3.517 25755 4093 1 16 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.260 0.728 25755 4094 1 16 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.694 -0.966 25755 4095 1 16 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.326 16.693 25755 4096 1 16 . 1 1 39 39 CYS H H 39 8.839 8.839 8.266 0.573 25755 4097 1 16 . 1 1 40 40 PHE N N 40 121.987 121.987 120.135 1.852 25755 4098 1 16 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.844 -0.074 25755 4099 1 16 . 1 1 40 40 PHE CA C 40 56.969 56.969 55.950 1.020 25755 4100 1 16 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.761 0.999 25755 4101 1 16 . 1 1 40 40 PHE H H 40 9.214 9.214 8.752 0.462 25755 4102 1 16 . 1 1 41 41 TYR N N 41 121.905 121.905 118.454 3.451 25755 4103 1 16 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.831 0.129 25755 4104 1 16 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.102 -0.570 25755 4105 1 16 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.246 1.056 25755 4106 1 16 . 1 1 41 41 TYR H H 41 8.557 8.557 8.760 -0.203 25755 4107 1 16 . 1 1 42 42 ASP N N 42 123.133 123.133 121.211 1.922 25755 4108 1 16 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.893 -0.140 25755 4109 1 16 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.594 -0.168 25755 4110 1 16 . 1 1 42 42 ASP CB C 42 41.620 41.620 43.314 -1.694 25755 4111 1 16 . 1 1 42 42 ASP H H 42 8.603 8.603 8.560 0.043 25755 4112 1 16 . 1 1 43 43 GLU N N 43 118.012 118.012 119.663 -1.651 25755 4113 1 16 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.166 0.043 25755 4114 1 16 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.588 0.277 25755 4115 1 16 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.587 -0.350 25755 4116 1 16 . 1 1 43 43 GLU H H 43 9.081 9.081 8.779 0.302 25755 4117 1 16 . 1 1 44 44 LYS N N 44 120.047 120.047 117.385 2.662 25755 4118 1 16 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.426 0.018 25755 4119 1 16 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.693 -0.032 25755 4120 1 16 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.413 -0.374 25755 4121 1 16 . 1 1 44 44 LYS H H 44 8.162 8.162 7.936 0.226 25755 4122 1 16 . 1 1 45 45 ARG N N 45 113.453 113.453 115.860 -2.407 25755 4123 1 16 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.064 -0.401 25755 4124 1 16 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.774 0.962 25755 4125 1 16 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.064 -0.674 25755 4126 1 16 . 1 1 45 45 ARG H H 45 8.335 8.335 7.910 0.425 25755 4127 1 16 . 1 1 46 46 ASN N N 46 118.207 118.207 116.374 1.833 25755 4128 1 16 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.968 0.014 25755 4129 1 16 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.793 1.273 25755 4130 1 16 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.709 -0.416 25755 4131 1 16 . 1 1 46 46 ASN H H 46 8.745 8.745 8.148 0.597 25755 4132 1 16 . 1 1 47 47 LEU N N 47 125.815 125.815 126.770 -0.955 25755 4133 1 16 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.109 0.170 25755 4134 1 16 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.978 0.312 25755 4135 1 16 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.861 1.445 25755 4136 1 16 . 1 1 47 47 LEU H H 47 8.509 8.509 8.825 -0.316 25755 4137 1 16 . 1 1 48 48 GLN N N 48 120.834 120.834 122.374 -1.540 25755 4138 1 16 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.707 0.029 25755 4139 1 16 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.234 -0.129 25755 4140 1 16 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.520 -0.654 25755 4141 1 16 . 1 1 48 48 GLN H H 48 8.589 8.589 8.977 -0.388 25755 4142 1 16 . 1 1 49 49 CYS N N 49 121.829 121.829 122.946 -1.117 25755 4143 1 16 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.613 0.245 25755 4144 1 16 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.986 -4.031 25755 4145 1 16 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.665 12.780 25755 4146 1 16 . 1 1 49 49 CYS H H 49 9.247 9.247 9.036 0.211 25755 4147 1 16 . 1 1 50 50 ILE N N 50 129.010 129.010 129.983 -0.973 25755 4148 1 16 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.477 -0.091 25755 4149 1 16 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.825 -1.403 25755 4150 1 16 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.897 -0.493 25755 4151 1 16 . 1 1 50 50 ILE H H 50 8.787 8.787 8.385 0.402 25755 4152 1 16 . 1 1 51 51 CYS N N 51 126.108 126.108 127.463 -1.355 25755 4153 1 16 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.633 0.704 25755 4154 1 16 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.548 -6.730 25755 4155 1 16 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.719 6.263 25755 4156 1 16 . 1 1 51 51 CYS H H 51 8.556 8.556 9.335 -0.779 25755 4157 1 16 . 1 1 52 52 ASP N N 52 122.342 122.342 120.318 2.024 25755 4158 1 16 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.995 0.518 25755 4159 1 16 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.819 -1.236 25755 4160 1 16 . 1 1 52 52 ASP CB C 52 42.831 42.831 43.239 -0.408 25755 4161 1 16 . 1 1 52 52 ASP H H 52 8.826 8.826 8.435 0.391 25755 4162 1 16 . 1 1 53 53 TYR N N 53 125.370 125.370 123.737 1.633 25755 4163 1 16 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.549 -0.291 25755 4164 1 16 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.044 0.621 25755 4165 1 16 . 1 1 53 53 TYR CB C 53 38.783 38.783 38.713 0.070 25755 4166 1 16 . 1 1 53 53 TYR H H 53 9.734 9.734 8.740 0.994 25755 4167 1 16 . 1 1 54 54 CYS N N 54 120.418 120.418 120.826 -0.408 25755 4168 1 16 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.457 0.037 25755 4169 1 16 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.569 -4.426 25755 4170 1 16 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.353 15.029 25755 4171 1 16 . 1 1 54 54 CYS H H 54 9.478 9.478 8.885 0.593 25755 4172 1 16 . 1 1 55 55 GLU N N 55 121.097 121.097 119.663 1.434 25755 4173 1 16 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.597 -0.285 25755 4174 1 16 . 1 1 55 55 GLU CA C 55 56.010 56.010 55.326 0.684 25755 4175 1 16 . 1 1 55 55 GLU CB C 55 31.014 31.014 31.793 -0.779 25755 4176 1 16 . 1 1 55 55 GLU H H 55 8.423 8.423 7.770 0.653 25755 4177 1 17 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.703 -0.452 25755 4178 1 17 . 1 1 2 2 ASP CA C 2 59.484 59.484 53.889 5.595 25755 4179 1 17 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.020 -0.608 25755 4180 1 17 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.107 0.238 25755 4181 1 17 . 1 1 3 3 LYS CA C 3 57.556 57.556 57.508 0.048 25755 4182 1 17 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.834 -0.241 25755 4183 1 17 . 1 1 4 4 CYS N N 4 117.049 117.049 117.150 -0.101 25755 4184 1 17 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.857 -0.130 25755 4185 1 17 . 1 1 4 4 CYS CA C 4 57.415 57.415 55.842 1.573 25755 4186 1 17 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.729 12.114 25755 4187 1 17 . 1 1 4 4 CYS H H 4 8.486 8.486 8.015 0.471 25755 4188 1 17 . 1 1 5 5 LYS N N 5 118.790 118.790 121.040 -2.250 25755 4189 1 17 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.880 0.691 25755 4190 1 17 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.698 -0.408 25755 4191 1 17 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.019 -0.413 25755 4192 1 17 . 1 1 5 5 LYS H H 5 8.007 8.007 8.237 -0.230 25755 4193 1 17 . 1 1 6 6 LYS N N 6 121.177 121.177 120.458 0.719 25755 4194 1 17 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.559 0.226 25755 4195 1 17 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.751 -0.209 25755 4196 1 17 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.370 1.532 25755 4197 1 17 . 1 1 6 6 LYS H H 6 9.014 9.014 8.793 0.221 25755 4198 1 17 . 1 1 7 7 VAL N N 7 127.629 127.629 123.750 3.879 25755 4199 1 17 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.110 -0.084 25755 4200 1 17 . 1 1 7 7 VAL CA C 7 63.988 63.988 61.750 2.238 25755 4201 1 17 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.922 0.184 25755 4202 1 17 . 1 1 7 7 VAL H H 7 8.837 8.837 8.621 0.216 25755 4203 1 17 . 1 1 8 8 TYR N N 8 130.003 130.003 128.494 1.509 25755 4204 1 17 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.709 -0.250 25755 4205 1 17 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.197 0.523 25755 4206 1 17 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.743 -1.725 25755 4207 1 17 . 1 1 8 8 TYR H H 8 9.251 9.251 8.036 1.215 25755 4208 1 17 . 1 1 9 9 GLU N N 9 130.851 130.851 124.991 5.860 25755 4209 1 17 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.156 0.048 25755 4210 1 17 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.473 0.044 25755 4211 1 17 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.590 -0.199 25755 4212 1 17 . 1 1 9 9 GLU H H 9 9.072 9.072 8.559 0.513 25755 4213 1 17 . 1 1 10 10 ASN N N 10 116.120 116.120 118.251 -2.131 25755 4214 1 17 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.881 -0.443 25755 4215 1 17 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.841 1.746 25755 4216 1 17 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.795 -0.517 25755 4217 1 17 . 1 1 10 10 ASN H H 10 9.301 9.301 8.405 0.896 25755 4218 1 17 . 1 1 11 11 TYR N N 11 122.436 122.436 122.001 0.435 25755 4219 1 17 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.458 -0.264 25755 4220 1 17 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.477 2.135 25755 4221 1 17 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.449 -1.982 25755 4222 1 17 . 1 1 11 11 TYR H H 11 7.550 7.550 7.570 -0.020 25755 4223 1 17 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.513 -0.066 25755 4224 1 17 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.606 -0.108 25755 4225 1 17 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.382 -1.791 25755 4226 1 17 . 1 1 13 13 VAL N N 13 124.506 124.506 122.275 2.231 25755 4227 1 17 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.827 0.009 25755 4228 1 17 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.819 0.942 25755 4229 1 17 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.696 -0.116 25755 4230 1 17 . 1 1 13 13 VAL H H 13 8.169 8.169 8.368 -0.199 25755 4231 1 17 . 1 1 14 14 SER N N 14 116.625 116.625 116.402 0.223 25755 4232 1 17 . 1 1 14 14 SER HA H 14 4.206 4.206 4.188 0.018 25755 4233 1 17 . 1 1 14 14 SER CA C 14 61.194 61.194 61.782 -0.588 25755 4234 1 17 . 1 1 14 14 SER CB C 14 62.041 62.041 62.417 -0.376 25755 4235 1 17 . 1 1 14 14 SER H H 14 8.396 8.396 8.277 0.119 25755 4236 1 17 . 1 1 15 15 LYS N N 15 120.843 120.843 121.636 -0.793 25755 4237 1 17 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.021 0.179 25755 4238 1 17 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.264 0.359 25755 4239 1 17 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.136 0.050 25755 4240 1 17 . 1 1 15 15 LYS H H 15 7.791 7.791 7.987 -0.196 25755 4241 1 17 . 1 1 16 16 CYS N N 16 115.949 115.949 116.853 -0.904 25755 4242 1 17 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.754 0.139 25755 4243 1 17 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.826 -4.256 25755 4244 1 17 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.670 14.767 25755 4245 1 17 . 1 1 16 16 CYS H H 16 7.870 7.870 7.562 0.308 25755 4246 1 17 . 1 1 17 17 GLN N N 17 117.241 117.241 116.853 0.388 25755 4247 1 17 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.212 0.062 25755 4248 1 17 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.358 0.580 25755 4249 1 17 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.780 0.407 25755 4250 1 17 . 1 1 17 17 GLN H H 17 7.560 7.560 7.599 -0.039 25755 4251 1 17 . 1 1 18 18 LEU N N 18 120.537 120.537 121.708 -1.171 25755 4252 1 17 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.198 0.242 25755 4253 1 17 . 1 1 18 18 LEU CA C 18 55.448 55.448 54.988 0.460 25755 4254 1 17 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.664 1.173 25755 4255 1 17 . 1 1 18 18 LEU H H 18 7.369 7.369 7.473 -0.104 25755 4256 1 17 . 1 1 19 19 ARG N N 19 121.697 121.697 122.624 -0.927 25755 4257 1 17 . 1 1 19 19 ARG HA H 19 4.299 4.299 3.998 0.301 25755 4258 1 17 . 1 1 19 19 ARG CA C 19 57.836 57.836 59.266 -1.429 25755 4259 1 17 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.190 0.202 25755 4260 1 17 . 1 1 19 19 ARG H H 19 8.447 8.447 8.033 0.414 25755 4261 1 17 . 1 1 20 20 ILE N N 20 116.439 116.439 116.370 0.069 25755 4262 1 17 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.041 0.093 25755 4263 1 17 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.216 0.281 25755 4264 1 17 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.137 0.027 25755 4265 1 17 . 1 1 20 20 ILE H H 20 7.758 7.758 7.842 -0.084 25755 4266 1 17 . 1 1 21 21 ALA N N 21 122.642 122.642 122.812 -0.170 25755 4267 1 17 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.571 -0.189 25755 4268 1 17 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.687 0.708 25755 4269 1 17 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.812 0.286 25755 4270 1 17 . 1 1 21 21 ALA H H 21 7.727 7.727 7.354 0.373 25755 4271 1 17 . 1 1 22 22 ASN N N 22 116.616 116.616 121.853 -5.237 25755 4272 1 17 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.925 -0.134 25755 4273 1 17 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.321 0.556 25755 4274 1 17 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.066 -0.512 25755 4275 1 17 . 1 1 22 22 ASN H H 22 8.307 8.307 8.521 -0.214 25755 4276 1 17 . 1 1 23 23 GLN N N 23 124.357 124.357 123.876 0.481 25755 4277 1 17 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.265 -0.247 25755 4278 1 17 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.658 0.990 25755 4279 1 17 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.701 0.698 25755 4280 1 17 . 1 1 23 23 GLN H H 23 8.542 8.542 8.315 0.227 25755 4281 1 17 . 1 1 24 24 CYS N N 24 118.909 118.909 118.793 0.116 25755 4282 1 17 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.231 0.053 25755 4283 1 17 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.405 -3.999 25755 4284 1 17 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.855 11.921 25755 4285 1 17 . 1 1 24 24 CYS H H 24 8.352 8.352 8.511 -0.159 25755 4286 1 17 . 1 1 25 25 ASN N N 25 118.182 118.182 119.137 -0.955 25755 4287 1 17 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.270 -0.382 25755 4288 1 17 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.485 1.187 25755 4289 1 17 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.255 2.518 25755 4290 1 17 . 1 1 25 25 ASN H H 25 7.504 7.504 8.424 -0.920 25755 4291 1 17 . 1 1 26 26 TYR N N 26 117.354 117.354 119.370 -2.016 25755 4292 1 17 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.179 -0.214 25755 4293 1 17 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.933 0.229 25755 4294 1 17 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.848 -0.218 25755 4295 1 17 . 1 1 26 26 TYR H H 26 7.322 7.322 7.543 -0.221 25755 4296 1 17 . 1 1 27 27 ASP N N 27 119.874 119.874 120.275 -0.401 25755 4297 1 17 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.417 0.238 25755 4298 1 17 . 1 1 27 27 ASP CB C 27 40.590 40.590 41.203 -0.612 25755 4299 1 17 . 1 1 27 27 ASP H H 27 9.218 9.218 8.271 0.947 25755 4300 1 17 . 1 1 28 28 CYS N N 28 119.782 119.782 118.740 1.042 25755 4301 1 17 . 1 1 28 28 CYS HA H 28 4.168 4.168 4.099 0.069 25755 4302 1 17 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.571 -1.657 25755 4303 1 17 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.334 10.611 25755 4304 1 17 . 1 1 28 28 CYS H H 28 9.171 9.171 8.312 0.859 25755 4305 1 17 . 1 1 29 29 LYS N N 29 119.663 119.663 119.048 0.615 25755 4306 1 17 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.896 0.241 25755 4307 1 17 . 1 1 29 29 LYS CA C 29 59.781 59.781 58.980 0.801 25755 4308 1 17 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.780 0.633 25755 4309 1 17 . 1 1 29 29 LYS H H 29 7.546 7.546 7.462 0.084 25755 4310 1 17 . 1 1 30 30 LEU N N 30 119.987 119.987 120.958 -0.971 25755 4311 1 17 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.893 0.218 25755 4312 1 17 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.808 -0.136 25755 4313 1 17 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.313 0.066 25755 4314 1 17 . 1 1 30 30 LEU H H 30 8.226 8.226 7.802 0.424 25755 4315 1 17 . 1 1 31 31 ASP N N 31 116.853 116.853 115.786 1.067 25755 4316 1 17 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.613 -0.067 25755 4317 1 17 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.729 0.537 25755 4318 1 17 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.674 -1.196 25755 4319 1 17 . 1 1 31 31 ASP H H 31 9.019 9.019 7.854 1.165 25755 4320 1 17 . 1 1 32 32 LYS N N 32 112.075 112.075 118.414 -6.339 25755 4321 1 17 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.168 0.381 25755 4322 1 17 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.698 -4.233 25755 4323 1 17 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.683 -0.818 25755 4324 1 17 . 1 1 32 32 LYS H H 32 6.639 6.639 8.320 -1.681 25755 4325 1 17 . 1 1 33 33 HIS N N 33 112.955 112.955 114.300 -1.345 25755 4326 1 17 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.233 0.390 25755 4327 1 17 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.646 -0.160 25755 4328 1 17 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.856 -2.162 25755 4329 1 17 . 1 1 33 33 HIS H H 33 7.065 7.065 8.090 -1.025 25755 4330 1 17 . 1 1 34 34 ALA N N 34 120.177 120.177 119.920 0.257 25755 4331 1 17 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.764 0.385 25755 4332 1 17 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.428 -1.649 25755 4333 1 17 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.605 -0.487 25755 4334 1 17 . 1 1 34 34 ALA H H 34 7.716 7.716 7.082 0.634 25755 4335 1 17 . 1 1 35 35 ARG N N 35 116.636 116.636 117.942 -1.306 25755 4336 1 17 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.210 -0.004 25755 4337 1 17 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.629 -0.553 25755 4338 1 17 . 1 1 35 35 ARG CB C 35 30.717 30.717 31.125 -0.408 25755 4339 1 17 . 1 1 35 35 ARG H H 35 8.295 8.295 8.138 0.157 25755 4340 1 17 . 1 1 36 36 SER N N 36 109.273 109.273 111.900 -2.627 25755 4341 1 17 . 1 1 36 36 SER HA H 36 4.646 4.646 4.473 0.173 25755 4342 1 17 . 1 1 36 36 SER CA C 36 57.703 57.703 58.013 -0.310 25755 4343 1 17 . 1 1 36 36 SER CB C 36 65.425 65.425 64.602 0.823 25755 4344 1 17 . 1 1 36 36 SER H H 36 8.026 8.026 7.647 0.379 25755 4345 1 17 . 1 1 37 37 GLY N N 37 107.305 107.305 110.143 -2.838 25755 4346 1 17 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.007 2.145 25755 4347 1 17 . 1 1 37 37 GLY H H 37 8.679 8.679 7.936 0.743 25755 4348 1 17 . 1 1 38 38 GLU N N 38 119.065 119.065 122.172 -3.107 25755 4349 1 17 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.550 -0.148 25755 4350 1 17 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.833 0.940 25755 4351 1 17 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.948 -2.126 25755 4352 1 17 . 1 1 38 38 GLU H H 38 8.351 8.351 8.812 -0.461 25755 4353 1 17 . 1 1 39 39 CYS N N 39 121.636 121.636 118.377 3.259 25755 4354 1 17 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.480 0.507 25755 4355 1 17 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.483 -0.756 25755 4356 1 17 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.734 16.285 25755 4357 1 17 . 1 1 39 39 CYS H H 39 8.839 8.839 8.264 0.575 25755 4358 1 17 . 1 1 40 40 PHE N N 40 121.987 121.987 119.968 2.019 25755 4359 1 17 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.797 -0.027 25755 4360 1 17 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.547 0.422 25755 4361 1 17 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.907 0.853 25755 4362 1 17 . 1 1 40 40 PHE H H 40 9.214 9.214 8.888 0.326 25755 4363 1 17 . 1 1 41 41 TYR N N 41 121.905 121.905 120.330 1.575 25755 4364 1 17 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.721 0.239 25755 4365 1 17 . 1 1 41 41 TYR CA C 41 58.532 58.532 58.676 -0.144 25755 4366 1 17 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.151 1.151 25755 4367 1 17 . 1 1 41 41 TYR H H 41 8.557 8.557 8.803 -0.246 25755 4368 1 17 . 1 1 42 42 ASP N N 42 123.133 123.133 121.782 1.351 25755 4369 1 17 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.811 -0.058 25755 4370 1 17 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.521 -0.095 25755 4371 1 17 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.332 -0.712 25755 4372 1 17 . 1 1 42 42 ASP H H 42 8.603 8.603 8.517 0.086 25755 4373 1 17 . 1 1 43 43 GLU N N 43 118.012 118.012 118.626 -0.614 25755 4374 1 17 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.119 0.090 25755 4375 1 17 . 1 1 43 43 GLU CA C 43 58.865 58.865 59.219 -0.354 25755 4376 1 17 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.451 -0.214 25755 4377 1 17 . 1 1 43 43 GLU H H 43 9.081 9.081 8.776 0.305 25755 4378 1 17 . 1 1 44 44 LYS N N 44 120.047 120.047 116.355 3.692 25755 4379 1 17 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.346 0.098 25755 4380 1 17 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.425 0.236 25755 4381 1 17 . 1 1 44 44 LYS CB C 44 32.039 32.039 31.728 0.311 25755 4382 1 17 . 1 1 44 44 LYS H H 44 8.162 8.162 8.472 -0.310 25755 4383 1 17 . 1 1 45 45 ARG N N 45 113.453 113.453 115.426 -1.973 25755 4384 1 17 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.084 -0.421 25755 4385 1 17 . 1 1 45 45 ARG CA C 45 57.736 57.736 57.169 0.567 25755 4386 1 17 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.014 -0.624 25755 4387 1 17 . 1 1 45 45 ARG H H 45 8.335 8.335 8.026 0.309 25755 4388 1 17 . 1 1 46 46 ASN N N 46 118.207 118.207 117.525 0.682 25755 4389 1 17 . 1 1 46 46 ASN HA H 46 4.982 4.982 5.040 -0.058 25755 4390 1 17 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.665 1.401 25755 4391 1 17 . 1 1 46 46 ASN CB C 46 39.293 39.293 40.000 -0.707 25755 4392 1 17 . 1 1 46 46 ASN H H 46 8.745 8.745 9.051 -0.306 25755 4393 1 17 . 1 1 47 47 LEU N N 47 125.815 125.815 127.301 -1.486 25755 4394 1 17 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.098 0.181 25755 4395 1 17 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.149 0.141 25755 4396 1 17 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.536 1.770 25755 4397 1 17 . 1 1 47 47 LEU H H 47 8.509 8.509 8.838 -0.329 25755 4398 1 17 . 1 1 48 48 GLN N N 48 120.834 120.834 122.448 -1.614 25755 4399 1 17 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.688 0.048 25755 4400 1 17 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.312 -0.207 25755 4401 1 17 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.350 -0.484 25755 4402 1 17 . 1 1 48 48 GLN H H 48 8.589 8.589 8.903 -0.314 25755 4403 1 17 . 1 1 49 49 CYS N N 49 121.829 121.829 122.724 -0.895 25755 4404 1 17 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.543 0.315 25755 4405 1 17 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.895 -3.940 25755 4406 1 17 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.403 13.042 25755 4407 1 17 . 1 1 49 49 CYS H H 49 9.247 9.247 8.934 0.313 25755 4408 1 17 . 1 1 50 50 ILE N N 50 129.010 129.010 129.034 -0.024 25755 4409 1 17 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.376 0.010 25755 4410 1 17 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.815 -1.394 25755 4411 1 17 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.846 -0.443 25755 4412 1 17 . 1 1 50 50 ILE H H 50 8.787 8.787 7.862 0.925 25755 4413 1 17 . 1 1 51 51 CYS N N 51 126.108 126.108 127.459 -1.351 25755 4414 1 17 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.636 0.701 25755 4415 1 17 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.552 -6.734 25755 4416 1 17 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.636 6.346 25755 4417 1 17 . 1 1 51 51 CYS H H 51 8.556 8.556 9.350 -0.794 25755 4418 1 17 . 1 1 52 52 ASP N N 52 122.342 122.342 120.370 1.972 25755 4419 1 17 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.851 0.662 25755 4420 1 17 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.696 -1.113 25755 4421 1 17 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.631 0.200 25755 4422 1 17 . 1 1 52 52 ASP H H 52 8.826 8.826 8.498 0.328 25755 4423 1 17 . 1 1 53 53 TYR N N 53 125.370 125.370 123.394 1.976 25755 4424 1 17 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.650 -0.392 25755 4425 1 17 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.937 0.728 25755 4426 1 17 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.501 -0.718 25755 4427 1 17 . 1 1 53 53 TYR H H 53 9.734 9.734 8.727 1.007 25755 4428 1 17 . 1 1 54 54 CYS N N 54 120.418 120.418 121.559 -1.141 25755 4429 1 17 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.474 0.019 25755 4430 1 17 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.447 -4.304 25755 4431 1 17 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.044 15.338 25755 4432 1 17 . 1 1 54 54 CYS H H 54 9.478 9.478 9.008 0.470 25755 4433 1 17 . 1 1 55 55 GLU N N 55 121.097 121.097 118.928 2.169 25755 4434 1 17 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.142 0.170 25755 4435 1 17 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.370 -1.360 25755 4436 1 17 . 1 1 55 55 GLU CB C 55 31.014 31.014 30.031 0.983 25755 4437 1 17 . 1 1 55 55 GLU H H 55 8.423 8.423 8.110 0.313 25755 4438 1 18 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.882 -0.631 25755 4439 1 18 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.041 5.443 25755 4440 1 18 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.423 -1.011 25755 4441 1 18 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.346 -0.001 25755 4442 1 18 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.646 0.910 25755 4443 1 18 . 1 1 3 3 LYS CB C 3 32.593 32.593 33.308 -0.715 25755 4444 1 18 . 1 1 4 4 CYS N N 4 117.049 117.049 119.388 -2.339 25755 4445 1 18 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.895 -0.167 25755 4446 1 18 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.446 0.969 25755 4447 1 18 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.481 12.362 25755 4448 1 18 . 1 1 4 4 CYS H H 4 8.486 8.486 8.157 0.329 25755 4449 1 18 . 1 1 5 5 LYS N N 5 118.790 118.790 121.499 -2.709 25755 4450 1 18 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.868 0.703 25755 4451 1 18 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.757 -0.467 25755 4452 1 18 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.994 -0.388 25755 4453 1 18 . 1 1 5 5 LYS H H 5 8.007 8.007 8.249 -0.242 25755 4454 1 18 . 1 1 6 6 LYS N N 6 121.177 121.177 120.347 0.830 25755 4455 1 18 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.561 0.224 25755 4456 1 18 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.867 -0.325 25755 4457 1 18 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.608 1.294 25755 4458 1 18 . 1 1 6 6 LYS H H 6 9.014 9.014 8.811 0.203 25755 4459 1 18 . 1 1 7 7 VAL N N 7 127.629 127.629 124.165 3.464 25755 4460 1 18 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.025 0.001 25755 4461 1 18 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.464 1.524 25755 4462 1 18 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.654 0.453 25755 4463 1 18 . 1 1 7 7 VAL H H 7 8.837 8.837 8.640 0.197 25755 4464 1 18 . 1 1 8 8 TYR N N 8 130.003 130.003 129.597 0.406 25755 4465 1 18 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.765 -0.306 25755 4466 1 18 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.737 -0.017 25755 4467 1 18 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.532 -1.514 25755 4468 1 18 . 1 1 8 8 TYR H H 8 9.251 9.251 8.340 0.911 25755 4469 1 18 . 1 1 9 9 GLU N N 9 130.851 130.851 124.643 6.208 25755 4470 1 18 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.043 0.161 25755 4471 1 18 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.721 -0.204 25755 4472 1 18 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.473 -0.082 25755 4473 1 18 . 1 1 9 9 GLU H H 9 9.072 9.072 8.480 0.592 25755 4474 1 18 . 1 1 10 10 ASN N N 10 116.120 116.120 116.984 -0.864 25755 4475 1 18 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.632 -0.194 25755 4476 1 18 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.803 1.784 25755 4477 1 18 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.410 -0.132 25755 4478 1 18 . 1 1 10 10 ASN H H 10 9.301 9.301 7.715 1.586 25755 4479 1 18 . 1 1 11 11 TYR N N 11 122.436 122.436 120.860 1.576 25755 4480 1 18 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.650 -0.456 25755 4481 1 18 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.379 2.233 25755 4482 1 18 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.688 -2.221 25755 4483 1 18 . 1 1 11 11 TYR H H 11 7.550 7.550 7.532 0.018 25755 4484 1 18 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.581 -0.134 25755 4485 1 18 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.635 -0.137 25755 4486 1 18 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.828 -2.237 25755 4487 1 18 . 1 1 13 13 VAL N N 13 124.506 124.506 121.263 3.243 25755 4488 1 18 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.740 0.096 25755 4489 1 18 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.826 0.935 25755 4490 1 18 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.682 -0.102 25755 4491 1 18 . 1 1 13 13 VAL H H 13 8.169 8.169 8.435 -0.266 25755 4492 1 18 . 1 1 14 14 SER N N 14 116.625 116.625 117.382 -0.757 25755 4493 1 18 . 1 1 14 14 SER HA H 14 4.206 4.206 4.383 -0.177 25755 4494 1 18 . 1 1 14 14 SER CA C 14 61.194 61.194 62.086 -0.892 25755 4495 1 18 . 1 1 14 14 SER CB C 14 62.041 62.041 62.783 -0.743 25755 4496 1 18 . 1 1 14 14 SER H H 14 8.396 8.396 8.280 0.116 25755 4497 1 18 . 1 1 15 15 LYS N N 15 120.843 120.843 121.798 -0.955 25755 4498 1 18 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.016 0.184 25755 4499 1 18 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.166 0.457 25755 4500 1 18 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.004 0.182 25755 4501 1 18 . 1 1 15 15 LYS H H 15 7.791 7.791 7.665 0.126 25755 4502 1 18 . 1 1 16 16 CYS N N 16 115.949 115.949 116.809 -0.860 25755 4503 1 18 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.548 0.345 25755 4504 1 18 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.598 -4.028 25755 4505 1 18 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.794 14.643 25755 4506 1 18 . 1 1 16 16 CYS H H 16 7.870 7.870 7.520 0.350 25755 4507 1 18 . 1 1 17 17 GLN N N 17 117.241 117.241 117.618 -0.377 25755 4508 1 18 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.109 0.165 25755 4509 1 18 . 1 1 17 17 GLN CA C 17 56.937 56.937 57.214 -0.277 25755 4510 1 18 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.716 0.471 25755 4511 1 18 . 1 1 17 17 GLN H H 17 7.560 7.560 7.767 -0.207 25755 4512 1 18 . 1 1 18 18 LEU N N 18 120.537 120.537 121.375 -0.838 25755 4513 1 18 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.151 0.289 25755 4514 1 18 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.038 0.410 25755 4515 1 18 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.919 0.918 25755 4516 1 18 . 1 1 18 18 LEU H H 18 7.369 7.369 7.501 -0.132 25755 4517 1 18 . 1 1 19 19 ARG N N 19 121.697 121.697 123.194 -1.497 25755 4518 1 18 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.011 0.288 25755 4519 1 18 . 1 1 19 19 ARG CA C 19 57.836 57.836 59.067 -1.231 25755 4520 1 18 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.274 0.118 25755 4521 1 18 . 1 1 19 19 ARG H H 19 8.447 8.447 7.978 0.469 25755 4522 1 18 . 1 1 20 20 ILE N N 20 116.439 116.439 116.348 0.091 25755 4523 1 18 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.025 0.109 25755 4524 1 18 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.359 0.138 25755 4525 1 18 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.174 -0.010 25755 4526 1 18 . 1 1 20 20 ILE H H 20 7.758 7.758 7.773 -0.015 25755 4527 1 18 . 1 1 21 21 ALA N N 21 122.642 122.642 122.811 -0.169 25755 4528 1 18 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.551 -0.169 25755 4529 1 18 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.634 0.761 25755 4530 1 18 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.842 0.256 25755 4531 1 18 . 1 1 21 21 ALA H H 21 7.727 7.727 7.345 0.382 25755 4532 1 18 . 1 1 22 22 ASN N N 22 116.616 116.616 121.463 -4.847 25755 4533 1 18 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.868 -0.077 25755 4534 1 18 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.239 0.638 25755 4535 1 18 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.950 -0.396 25755 4536 1 18 . 1 1 22 22 ASN H H 22 8.307 8.307 8.541 -0.234 25755 4537 1 18 . 1 1 23 23 GLN N N 23 124.357 124.357 123.035 1.322 25755 4538 1 18 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.346 -0.328 25755 4539 1 18 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.423 1.225 25755 4540 1 18 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.348 1.051 25755 4541 1 18 . 1 1 23 23 GLN H H 23 8.542 8.542 8.172 0.370 25755 4542 1 18 . 1 1 24 24 CYS N N 24 118.909 118.909 119.594 -0.685 25755 4543 1 18 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.043 0.241 25755 4544 1 18 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.786 -4.380 25755 4545 1 18 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.804 11.972 25755 4546 1 18 . 1 1 24 24 CYS H H 24 8.352 8.352 8.513 -0.161 25755 4547 1 18 . 1 1 25 25 ASN N N 25 118.182 118.182 119.856 -1.674 25755 4548 1 18 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.334 -0.446 25755 4549 1 18 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.746 0.926 25755 4550 1 18 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.252 2.521 25755 4551 1 18 . 1 1 25 25 ASN H H 25 7.504 7.504 8.486 -0.982 25755 4552 1 18 . 1 1 26 26 TYR N N 26 117.354 117.354 120.142 -2.788 25755 4553 1 18 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.179 -0.214 25755 4554 1 18 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.859 0.303 25755 4555 1 18 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.779 -0.149 25755 4556 1 18 . 1 1 26 26 TYR H H 26 7.322 7.322 7.575 -0.253 25755 4557 1 18 . 1 1 27 27 ASP N N 27 119.874 119.874 119.948 -0.074 25755 4558 1 18 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.328 0.327 25755 4559 1 18 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.855 -0.265 25755 4560 1 18 . 1 1 27 27 ASP H H 27 9.218 9.218 8.164 1.054 25755 4561 1 18 . 1 1 28 28 CYS N N 28 119.782 119.782 119.250 0.532 25755 4562 1 18 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.886 0.282 25755 4563 1 18 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.702 -1.788 25755 4564 1 18 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.177 10.768 25755 4565 1 18 . 1 1 28 28 CYS H H 28 9.171 9.171 8.460 0.711 25755 4566 1 18 . 1 1 29 29 LYS N N 29 119.663 119.663 118.595 1.068 25755 4567 1 18 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.818 0.319 25755 4568 1 18 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.098 0.683 25755 4569 1 18 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.732 0.681 25755 4570 1 18 . 1 1 29 29 LYS H H 29 7.546 7.546 7.410 0.136 25755 4571 1 18 . 1 1 30 30 LEU N N 30 119.987 119.987 119.195 0.792 25755 4572 1 18 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.856 0.255 25755 4573 1 18 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.212 -0.540 25755 4574 1 18 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.088 0.291 25755 4575 1 18 . 1 1 30 30 LEU H H 30 8.226 8.226 7.393 0.833 25755 4576 1 18 . 1 1 31 31 ASP N N 31 116.853 116.853 117.449 -0.596 25755 4577 1 18 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.655 -0.109 25755 4578 1 18 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.658 0.607 25755 4579 1 18 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.203 -0.725 25755 4580 1 18 . 1 1 31 31 ASP H H 31 9.019 9.019 7.961 1.058 25755 4581 1 18 . 1 1 32 32 LYS N N 32 112.075 112.075 118.519 -6.444 25755 4582 1 18 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.123 0.426 25755 4583 1 18 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.785 -4.321 25755 4584 1 18 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.652 -0.787 25755 4585 1 18 . 1 1 32 32 LYS H H 32 6.639 6.639 8.226 -1.587 25755 4586 1 18 . 1 1 33 33 HIS N N 33 112.955 112.955 114.709 -1.754 25755 4587 1 18 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.161 0.462 25755 4588 1 18 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.466 0.020 25755 4589 1 18 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.917 -2.223 25755 4590 1 18 . 1 1 33 33 HIS H H 33 7.065 7.065 8.142 -1.077 25755 4591 1 18 . 1 1 34 34 ALA N N 34 120.177 120.177 119.207 0.970 25755 4592 1 18 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.766 0.383 25755 4593 1 18 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.486 -1.707 25755 4594 1 18 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.478 -0.360 25755 4595 1 18 . 1 1 34 34 ALA H H 34 7.716 7.716 7.049 0.667 25755 4596 1 18 . 1 1 35 35 ARG N N 35 116.636 116.636 117.039 -0.403 25755 4597 1 18 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.092 0.114 25755 4598 1 18 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.401 -0.326 25755 4599 1 18 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.201 0.516 25755 4600 1 18 . 1 1 35 35 ARG H H 35 8.295 8.295 8.085 0.210 25755 4601 1 18 . 1 1 36 36 SER N N 36 109.273 109.273 111.236 -1.963 25755 4602 1 18 . 1 1 36 36 SER HA H 36 4.646 4.646 4.495 0.151 25755 4603 1 18 . 1 1 36 36 SER CA C 36 57.703 57.703 57.825 -0.122 25755 4604 1 18 . 1 1 36 36 SER CB C 36 65.425 65.425 65.318 0.107 25755 4605 1 18 . 1 1 36 36 SER H H 36 8.026 8.026 8.025 0.001 25755 4606 1 18 . 1 1 37 37 GLY N N 37 107.305 107.305 111.094 -3.789 25755 4607 1 18 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.749 2.403 25755 4608 1 18 . 1 1 37 37 GLY H H 37 8.679 8.679 7.861 0.818 25755 4609 1 18 . 1 1 38 38 GLU N N 38 119.065 119.065 122.263 -3.198 25755 4610 1 18 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.579 -0.177 25755 4611 1 18 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.740 1.033 25755 4612 1 18 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.971 -2.149 25755 4613 1 18 . 1 1 38 38 GLU H H 38 8.351 8.351 8.865 -0.514 25755 4614 1 18 . 1 1 39 39 CYS N N 39 121.636 121.636 118.488 3.148 25755 4615 1 18 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.253 0.734 25755 4616 1 18 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.760 -1.032 25755 4617 1 18 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.379 16.640 25755 4618 1 18 . 1 1 39 39 CYS H H 39 8.839 8.839 8.311 0.528 25755 4619 1 18 . 1 1 40 40 PHE N N 40 121.987 121.987 120.408 1.579 25755 4620 1 18 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.793 -0.023 25755 4621 1 18 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.564 0.405 25755 4622 1 18 . 1 1 40 40 PHE CB C 40 43.760 43.760 43.001 0.759 25755 4623 1 18 . 1 1 40 40 PHE H H 40 9.214 9.214 8.776 0.438 25755 4624 1 18 . 1 1 41 41 TYR N N 41 121.905 121.905 119.079 2.826 25755 4625 1 18 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.639 0.321 25755 4626 1 18 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.007 -0.475 25755 4627 1 18 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.272 1.030 25755 4628 1 18 . 1 1 41 41 TYR H H 41 8.557 8.557 8.671 -0.114 25755 4629 1 18 . 1 1 42 42 ASP N N 42 123.133 123.133 121.341 1.792 25755 4630 1 18 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.857 -0.104 25755 4631 1 18 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.877 -0.451 25755 4632 1 18 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.617 -0.997 25755 4633 1 18 . 1 1 42 42 ASP H H 42 8.603 8.603 7.964 0.639 25755 4634 1 18 . 1 1 43 43 GLU N N 43 118.012 118.012 119.505 -1.493 25755 4635 1 18 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.123 0.086 25755 4636 1 18 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.831 0.034 25755 4637 1 18 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.617 -0.380 25755 4638 1 18 . 1 1 43 43 GLU H H 43 9.081 9.081 8.718 0.363 25755 4639 1 18 . 1 1 44 44 LYS N N 44 120.047 120.047 117.393 2.654 25755 4640 1 18 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.385 0.059 25755 4641 1 18 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.436 0.225 25755 4642 1 18 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.617 -0.578 25755 4643 1 18 . 1 1 44 44 LYS H H 44 8.162 8.162 7.785 0.377 25755 4644 1 18 . 1 1 45 45 ARG N N 45 113.453 113.453 115.650 -2.197 25755 4645 1 18 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.048 -0.385 25755 4646 1 18 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.853 0.883 25755 4647 1 18 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.475 -1.085 25755 4648 1 18 . 1 1 45 45 ARG H H 45 8.335 8.335 7.739 0.596 25755 4649 1 18 . 1 1 46 46 ASN N N 46 118.207 118.207 116.577 1.630 25755 4650 1 18 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.932 0.050 25755 4651 1 18 . 1 1 46 46 ASN CA C 46 53.066 53.066 52.327 0.739 25755 4652 1 18 . 1 1 46 46 ASN CB C 46 39.293 39.293 38.759 0.534 25755 4653 1 18 . 1 1 46 46 ASN H H 46 8.745 8.745 8.246 0.499 25755 4654 1 18 . 1 1 47 47 LEU N N 47 125.815 125.815 126.719 -0.904 25755 4655 1 18 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.021 0.258 25755 4656 1 18 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.954 0.336 25755 4657 1 18 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.417 1.889 25755 4658 1 18 . 1 1 47 47 LEU H H 47 8.509 8.509 8.804 -0.295 25755 4659 1 18 . 1 1 48 48 GLN N N 48 120.834 120.834 122.357 -1.523 25755 4660 1 18 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.689 0.047 25755 4661 1 18 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.968 0.137 25755 4662 1 18 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.383 -0.517 25755 4663 1 18 . 1 1 48 48 GLN H H 48 8.589 8.589 8.899 -0.310 25755 4664 1 18 . 1 1 49 49 CYS N N 49 121.829 121.829 123.604 -1.775 25755 4665 1 18 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.530 0.328 25755 4666 1 18 . 1 1 49 49 CYS CA C 49 54.955 54.955 59.146 -4.191 25755 4667 1 18 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.605 12.839 25755 4668 1 18 . 1 1 49 49 CYS H H 49 9.247 9.247 9.009 0.238 25755 4669 1 18 . 1 1 50 50 ILE N N 50 129.010 129.010 130.344 -1.334 25755 4670 1 18 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.471 -0.085 25755 4671 1 18 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.990 -1.569 25755 4672 1 18 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.875 -0.471 25755 4673 1 18 . 1 1 50 50 ILE H H 50 8.787 8.787 7.974 0.813 25755 4674 1 18 . 1 1 51 51 CYS N N 51 126.108 126.108 127.263 -1.155 25755 4675 1 18 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.635 0.702 25755 4676 1 18 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.628 -6.810 25755 4677 1 18 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.619 6.363 25755 4678 1 18 . 1 1 51 51 CYS H H 51 8.556 8.556 9.326 -0.770 25755 4679 1 18 . 1 1 52 52 ASP N N 52 122.342 122.342 119.894 2.448 25755 4680 1 18 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.982 0.531 25755 4681 1 18 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.430 -0.847 25755 4682 1 18 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.322 0.509 25755 4683 1 18 . 1 1 52 52 ASP H H 52 8.826 8.826 8.486 0.340 25755 4684 1 18 . 1 1 53 53 TYR N N 53 125.370 125.370 123.840 1.530 25755 4685 1 18 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.689 -0.431 25755 4686 1 18 . 1 1 53 53 TYR CA C 53 59.665 59.665 58.916 0.749 25755 4687 1 18 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.684 -0.901 25755 4688 1 18 . 1 1 53 53 TYR H H 53 9.734 9.734 8.711 1.023 25755 4689 1 18 . 1 1 54 54 CYS N N 54 120.418 120.418 121.205 -0.787 25755 4690 1 18 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.520 -0.026 25755 4691 1 18 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.709 -4.566 25755 4692 1 18 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.378 15.004 25755 4693 1 18 . 1 1 54 54 CYS H H 54 9.478 9.478 8.954 0.524 25755 4694 1 18 . 1 1 55 55 GLU N N 55 121.097 121.097 118.454 2.643 25755 4695 1 18 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.043 0.269 25755 4696 1 18 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.440 -1.430 25755 4697 1 18 . 1 1 55 55 GLU CB C 55 31.014 31.014 29.841 1.173 25755 4698 1 18 . 1 1 55 55 GLU H H 55 8.423 8.423 7.968 0.455 25755 4699 1 19 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.773 -0.522 25755 4700 1 19 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.431 5.053 25755 4701 1 19 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.715 -1.303 25755 4702 1 19 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.269 0.076 25755 4703 1 19 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.978 0.578 25755 4704 1 19 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.658 -0.065 25755 4705 1 19 . 1 1 4 4 CYS N N 4 117.049 117.049 119.612 -2.563 25755 4706 1 19 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.830 -0.102 25755 4707 1 19 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.477 -0.062 25755 4708 1 19 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.353 12.490 25755 4709 1 19 . 1 1 4 4 CYS H H 4 8.486 8.486 7.963 0.523 25755 4710 1 19 . 1 1 5 5 LYS N N 5 118.790 118.790 120.939 -2.149 25755 4711 1 19 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.890 0.681 25755 4712 1 19 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.521 -0.231 25755 4713 1 19 . 1 1 5 5 LYS CB C 5 34.606 34.606 35.289 -0.683 25755 4714 1 19 . 1 1 5 5 LYS H H 5 8.007 8.007 8.334 -0.327 25755 4715 1 19 . 1 1 6 6 LYS N N 6 121.177 121.177 120.460 0.717 25755 4716 1 19 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.575 0.210 25755 4717 1 19 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.914 -0.372 25755 4718 1 19 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.529 1.373 25755 4719 1 19 . 1 1 6 6 LYS H H 6 9.014 9.014 8.781 0.233 25755 4720 1 19 . 1 1 7 7 VAL N N 7 127.629 127.629 123.650 3.979 25755 4721 1 19 . 1 1 7 7 VAL HA H 7 4.026 4.026 3.980 0.046 25755 4722 1 19 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.420 1.568 25755 4723 1 19 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.977 0.130 25755 4724 1 19 . 1 1 7 7 VAL H H 7 8.837 8.837 8.538 0.299 25755 4725 1 19 . 1 1 8 8 TYR N N 8 130.003 130.003 128.389 1.614 25755 4726 1 19 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.720 -0.261 25755 4727 1 19 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.093 0.627 25755 4728 1 19 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.393 -1.375 25755 4729 1 19 . 1 1 8 8 TYR H H 8 9.251 9.251 8.168 1.083 25755 4730 1 19 . 1 1 9 9 GLU N N 9 130.851 130.851 123.599 7.252 25755 4731 1 19 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.387 -0.183 25755 4732 1 19 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.997 -0.480 25755 4733 1 19 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.786 -0.395 25755 4734 1 19 . 1 1 9 9 GLU H H 9 9.072 9.072 8.324 0.748 25755 4735 1 19 . 1 1 10 10 ASN N N 10 116.120 116.120 118.456 -2.336 25755 4736 1 19 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.846 -0.408 25755 4737 1 19 . 1 1 10 10 ASN CA C 10 54.587 54.587 53.082 1.505 25755 4738 1 19 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.605 -0.327 25755 4739 1 19 . 1 1 10 10 ASN H H 10 9.301 9.301 8.630 0.671 25755 4740 1 19 . 1 1 11 11 TYR N N 11 122.436 122.436 122.134 0.302 25755 4741 1 19 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.389 -0.195 25755 4742 1 19 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.373 2.239 25755 4743 1 19 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.485 -2.018 25755 4744 1 19 . 1 1 11 11 TYR H H 11 7.550 7.550 7.601 -0.051 25755 4745 1 19 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.530 -0.083 25755 4746 1 19 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.612 -0.114 25755 4747 1 19 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.719 -2.128 25755 4748 1 19 . 1 1 13 13 VAL N N 13 124.506 124.506 122.219 2.287 25755 4749 1 19 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.814 0.022 25755 4750 1 19 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.883 0.878 25755 4751 1 19 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.667 -0.087 25755 4752 1 19 . 1 1 13 13 VAL H H 13 8.169 8.169 8.369 -0.200 25755 4753 1 19 . 1 1 14 14 SER N N 14 116.625 116.625 116.343 0.282 25755 4754 1 19 . 1 1 14 14 SER HA H 14 4.206 4.206 4.186 0.020 25755 4755 1 19 . 1 1 14 14 SER CA C 14 61.194 61.194 61.714 -0.520 25755 4756 1 19 . 1 1 14 14 SER CB C 14 62.041 62.041 62.350 -0.309 25755 4757 1 19 . 1 1 14 14 SER H H 14 8.396 8.396 8.286 0.110 25755 4758 1 19 . 1 1 15 15 LYS N N 15 120.843 120.843 121.801 -0.958 25755 4759 1 19 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.006 0.194 25755 4760 1 19 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.382 0.241 25755 4761 1 19 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.200 -0.014 25755 4762 1 19 . 1 1 15 15 LYS H H 15 7.791 7.791 7.884 -0.093 25755 4763 1 19 . 1 1 16 16 CYS N N 16 115.949 115.949 116.518 -0.569 25755 4764 1 19 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.531 0.362 25755 4765 1 19 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.847 -4.277 25755 4766 1 19 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.428 15.009 25755 4767 1 19 . 1 1 16 16 CYS H H 16 7.870 7.870 7.602 0.268 25755 4768 1 19 . 1 1 17 17 GLN N N 17 117.241 117.241 116.907 0.334 25755 4769 1 19 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.213 0.061 25755 4770 1 19 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.420 0.517 25755 4771 1 19 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.765 0.422 25755 4772 1 19 . 1 1 17 17 GLN H H 17 7.560 7.560 7.645 -0.085 25755 4773 1 19 . 1 1 18 18 LEU N N 18 120.537 120.537 122.274 -1.737 25755 4774 1 19 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.220 0.220 25755 4775 1 19 . 1 1 18 18 LEU CA C 18 55.448 55.448 54.879 0.569 25755 4776 1 19 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.766 1.071 25755 4777 1 19 . 1 1 18 18 LEU H H 18 7.369 7.369 7.517 -0.148 25755 4778 1 19 . 1 1 19 19 ARG N N 19 121.697 121.697 123.067 -1.370 25755 4779 1 19 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.008 0.291 25755 4780 1 19 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.698 -0.862 25755 4781 1 19 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.035 0.357 25755 4782 1 19 . 1 1 19 19 ARG H H 19 8.447 8.447 8.086 0.361 25755 4783 1 19 . 1 1 20 20 ILE N N 20 116.439 116.439 116.166 0.273 25755 4784 1 19 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.052 0.082 25755 4785 1 19 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.414 0.083 25755 4786 1 19 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.172 -0.008 25755 4787 1 19 . 1 1 20 20 ILE H H 20 7.758 7.758 7.768 -0.010 25755 4788 1 19 . 1 1 21 21 ALA N N 21 122.642 122.642 122.871 -0.229 25755 4789 1 19 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.571 -0.189 25755 4790 1 19 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.692 0.703 25755 4791 1 19 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.822 0.276 25755 4792 1 19 . 1 1 21 21 ALA H H 21 7.727 7.727 7.459 0.268 25755 4793 1 19 . 1 1 22 22 ASN N N 22 116.616 116.616 121.952 -5.336 25755 4794 1 19 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.669 0.122 25755 4795 1 19 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.554 0.323 25755 4796 1 19 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.965 -0.411 25755 4797 1 19 . 1 1 22 22 ASN H H 22 8.307 8.307 8.547 -0.240 25755 4798 1 19 . 1 1 23 23 GLN N N 23 124.357 124.357 123.699 0.658 25755 4799 1 19 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.287 -0.269 25755 4800 1 19 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.463 1.185 25755 4801 1 19 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.690 0.709 25755 4802 1 19 . 1 1 23 23 GLN H H 23 8.542 8.542 8.253 0.289 25755 4803 1 19 . 1 1 24 24 CYS N N 24 118.909 118.909 118.904 0.005 25755 4804 1 19 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.250 0.034 25755 4805 1 19 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.287 -3.881 25755 4806 1 19 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.844 11.932 25755 4807 1 19 . 1 1 24 24 CYS H H 24 8.352 8.352 8.480 -0.128 25755 4808 1 19 . 1 1 25 25 ASN N N 25 118.182 118.182 119.126 -0.944 25755 4809 1 19 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.278 -0.390 25755 4810 1 19 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.486 1.185 25755 4811 1 19 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.278 2.495 25755 4812 1 19 . 1 1 25 25 ASN H H 25 7.504 7.504 8.461 -0.957 25755 4813 1 19 . 1 1 26 26 TYR N N 26 117.354 117.354 119.314 -1.960 25755 4814 1 19 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.182 -0.217 25755 4815 1 19 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.949 0.213 25755 4816 1 19 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.916 -0.286 25755 4817 1 19 . 1 1 26 26 TYR H H 26 7.322 7.322 7.571 -0.249 25755 4818 1 19 . 1 1 27 27 ASP N N 27 119.874 119.874 120.195 -0.321 25755 4819 1 19 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.443 0.212 25755 4820 1 19 . 1 1 27 27 ASP CB C 27 40.590 40.590 41.182 -0.592 25755 4821 1 19 . 1 1 27 27 ASP H H 27 9.218 9.218 8.308 0.910 25755 4822 1 19 . 1 1 28 28 CYS N N 28 119.782 119.782 118.945 0.837 25755 4823 1 19 . 1 1 28 28 CYS HA H 28 4.168 4.168 4.117 0.051 25755 4824 1 19 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.583 -1.669 25755 4825 1 19 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.418 10.527 25755 4826 1 19 . 1 1 28 28 CYS H H 28 9.171 9.171 8.478 0.693 25755 4827 1 19 . 1 1 29 29 LYS N N 29 119.663 119.663 119.127 0.536 25755 4828 1 19 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.933 0.204 25755 4829 1 19 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.027 0.754 25755 4830 1 19 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.804 0.609 25755 4831 1 19 . 1 1 29 29 LYS H H 29 7.546 7.546 7.493 0.053 25755 4832 1 19 . 1 1 30 30 LEU N N 30 119.987 119.987 120.049 -0.062 25755 4833 1 19 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.825 0.286 25755 4834 1 19 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.666 0.006 25755 4835 1 19 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.257 0.122 25755 4836 1 19 . 1 1 30 30 LEU H H 30 8.226 8.226 7.698 0.528 25755 4837 1 19 . 1 1 31 31 ASP N N 31 116.853 116.853 116.114 0.739 25755 4838 1 19 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.615 -0.069 25755 4839 1 19 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.718 0.548 25755 4840 1 19 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.872 -1.394 25755 4841 1 19 . 1 1 31 31 ASP H H 31 9.019 9.019 7.804 1.215 25755 4842 1 19 . 1 1 32 32 LYS N N 32 112.075 112.075 118.590 -6.515 25755 4843 1 19 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.159 0.390 25755 4844 1 19 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.755 -4.290 25755 4845 1 19 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.496 -0.631 25755 4846 1 19 . 1 1 32 32 LYS H H 32 6.639 6.639 8.400 -1.761 25755 4847 1 19 . 1 1 33 33 HIS N N 33 112.955 112.955 113.887 -0.932 25755 4848 1 19 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.164 0.459 25755 4849 1 19 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.482 1.004 25755 4850 1 19 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.389 -2.695 25755 4851 1 19 . 1 1 33 33 HIS H H 33 7.065 7.065 8.005 -0.940 25755 4852 1 19 . 1 1 34 34 ALA N N 34 120.177 120.177 119.193 0.984 25755 4853 1 19 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.695 0.454 25755 4854 1 19 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.486 -1.708 25755 4855 1 19 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.515 -0.397 25755 4856 1 19 . 1 1 34 34 ALA H H 34 7.716 7.716 7.160 0.556 25755 4857 1 19 . 1 1 35 35 ARG N N 35 116.636 116.636 117.920 -1.284 25755 4858 1 19 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.172 0.034 25755 4859 1 19 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.043 0.033 25755 4860 1 19 . 1 1 35 35 ARG CB C 35 30.717 30.717 29.992 0.725 25755 4861 1 19 . 1 1 35 35 ARG H H 35 8.295 8.295 8.003 0.292 25755 4862 1 19 . 1 1 36 36 SER N N 36 109.273 109.273 113.194 -3.921 25755 4863 1 19 . 1 1 36 36 SER HA H 36 4.646 4.646 4.451 0.195 25755 4864 1 19 . 1 1 36 36 SER CA C 36 57.703 57.703 57.973 -0.270 25755 4865 1 19 . 1 1 36 36 SER CB C 36 65.425 65.425 64.682 0.743 25755 4866 1 19 . 1 1 36 36 SER H H 36 8.026 8.026 7.874 0.152 25755 4867 1 19 . 1 1 37 37 GLY N N 37 107.305 107.305 109.880 -2.575 25755 4868 1 19 . 1 1 37 37 GLY CA C 37 47.152 47.152 45.030 2.122 25755 4869 1 19 . 1 1 37 37 GLY H H 37 8.679 8.679 7.886 0.793 25755 4870 1 19 . 1 1 38 38 GLU N N 38 119.065 119.065 122.292 -3.227 25755 4871 1 19 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.557 -0.155 25755 4872 1 19 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.802 0.971 25755 4873 1 19 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.921 -2.099 25755 4874 1 19 . 1 1 38 38 GLU H H 38 8.351 8.351 8.865 -0.514 25755 4875 1 19 . 1 1 39 39 CYS N N 39 121.636 121.636 118.376 3.260 25755 4876 1 19 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.335 0.652 25755 4877 1 19 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.614 -0.886 25755 4878 1 19 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.629 16.390 25755 4879 1 19 . 1 1 39 39 CYS H H 39 8.839 8.839 8.244 0.595 25755 4880 1 19 . 1 1 40 40 PHE N N 40 121.987 121.987 120.200 1.787 25755 4881 1 19 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.824 -0.054 25755 4882 1 19 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.577 0.392 25755 4883 1 19 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.843 0.916 25755 4884 1 19 . 1 1 40 40 PHE H H 40 9.214 9.214 8.873 0.341 25755 4885 1 19 . 1 1 41 41 TYR N N 41 121.905 121.905 118.777 3.128 25755 4886 1 19 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.589 0.371 25755 4887 1 19 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.302 -0.770 25755 4888 1 19 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.204 1.098 25755 4889 1 19 . 1 1 41 41 TYR H H 41 8.557 8.557 8.757 -0.200 25755 4890 1 19 . 1 1 42 42 ASP N N 42 123.133 123.133 121.362 1.771 25755 4891 1 19 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.873 -0.120 25755 4892 1 19 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.759 -0.333 25755 4893 1 19 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.987 -1.367 25755 4894 1 19 . 1 1 42 42 ASP H H 42 8.603 8.603 8.410 0.193 25755 4895 1 19 . 1 1 43 43 GLU N N 43 118.012 118.012 118.882 -0.870 25755 4896 1 19 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.135 0.074 25755 4897 1 19 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.695 0.170 25755 4898 1 19 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.604 -0.367 25755 4899 1 19 . 1 1 43 43 GLU H H 43 9.081 9.081 8.770 0.311 25755 4900 1 19 . 1 1 44 44 LYS N N 44 120.047 120.047 117.543 2.504 25755 4901 1 19 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.367 0.077 25755 4902 1 19 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.475 0.186 25755 4903 1 19 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.356 -0.317 25755 4904 1 19 . 1 1 44 44 LYS H H 44 8.162 8.162 8.108 0.054 25755 4905 1 19 . 1 1 45 45 ARG N N 45 113.453 113.453 116.284 -2.831 25755 4906 1 19 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.140 -0.477 25755 4907 1 19 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.584 1.152 25755 4908 1 19 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.348 -0.958 25755 4909 1 19 . 1 1 45 45 ARG H H 45 8.335 8.335 7.793 0.542 25755 4910 1 19 . 1 1 46 46 ASN N N 46 118.207 118.207 117.149 1.058 25755 4911 1 19 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.946 0.036 25755 4912 1 19 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.847 1.219 25755 4913 1 19 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.188 0.105 25755 4914 1 19 . 1 1 46 46 ASN H H 46 8.745 8.745 8.273 0.472 25755 4915 1 19 . 1 1 47 47 LEU N N 47 125.815 125.815 127.018 -1.203 25755 4916 1 19 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.026 0.253 25755 4917 1 19 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.256 0.034 25755 4918 1 19 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.745 1.561 25755 4919 1 19 . 1 1 47 47 LEU H H 47 8.509 8.509 8.859 -0.350 25755 4920 1 19 . 1 1 48 48 GLN N N 48 120.834 120.834 121.759 -0.925 25755 4921 1 19 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.708 0.028 25755 4922 1 19 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.566 0.539 25755 4923 1 19 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.776 -0.909 25755 4924 1 19 . 1 1 48 48 GLN H H 48 8.589 8.589 8.919 -0.330 25755 4925 1 19 . 1 1 49 49 CYS N N 49 121.829 121.829 123.426 -1.597 25755 4926 1 19 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.484 0.374 25755 4927 1 19 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.723 -3.768 25755 4928 1 19 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.259 13.186 25755 4929 1 19 . 1 1 49 49 CYS H H 49 9.247 9.247 9.016 0.231 25755 4930 1 19 . 1 1 50 50 ILE N N 50 129.010 129.010 129.158 -0.148 25755 4931 1 19 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.315 0.071 25755 4932 1 19 . 1 1 50 50 ILE CA C 50 60.421 60.421 62.177 -1.756 25755 4933 1 19 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.622 -0.218 25755 4934 1 19 . 1 1 50 50 ILE H H 50 8.787 8.787 7.853 0.934 25755 4935 1 19 . 1 1 51 51 CYS N N 51 126.108 126.108 127.419 -1.311 25755 4936 1 19 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.613 0.724 25755 4937 1 19 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.811 -6.993 25755 4938 1 19 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.521 6.461 25755 4939 1 19 . 1 1 51 51 CYS H H 51 8.556 8.556 9.308 -0.752 25755 4940 1 19 . 1 1 52 52 ASP N N 52 122.342 122.342 119.982 2.360 25755 4941 1 19 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.986 0.527 25755 4942 1 19 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.541 -0.958 25755 4943 1 19 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.495 0.336 25755 4944 1 19 . 1 1 52 52 ASP H H 52 8.826 8.826 8.481 0.345 25755 4945 1 19 . 1 1 53 53 TYR N N 53 125.370 125.370 124.684 0.686 25755 4946 1 19 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.573 -0.315 25755 4947 1 19 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.010 0.655 25755 4948 1 19 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.422 -0.638 25755 4949 1 19 . 1 1 53 53 TYR H H 53 9.734 9.734 8.733 1.001 25755 4950 1 19 . 1 1 54 54 CYS N N 54 120.418 120.418 121.264 -0.846 25755 4951 1 19 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.515 -0.021 25755 4952 1 19 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.409 -4.266 25755 4953 1 19 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.027 15.355 25755 4954 1 19 . 1 1 54 54 CYS H H 54 9.478 9.478 8.820 0.658 25755 4955 1 19 . 1 1 55 55 GLU N N 55 121.097 121.097 118.982 2.115 25755 4956 1 19 . 1 1 55 55 GLU HA H 55 4.312 4.312 3.859 0.453 25755 4957 1 19 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.216 -1.206 25755 4958 1 19 . 1 1 55 55 GLU CB C 55 31.014 31.014 29.880 1.134 25755 4959 1 19 . 1 1 55 55 GLU H H 55 8.423 8.423 8.303 0.120 25755 4960 1 20 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.385 -0.134 25755 4961 1 20 . 1 1 2 2 ASP CA C 2 59.484 59.484 55.144 4.340 25755 4962 1 20 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.289 -0.877 25755 4963 1 20 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.352 -0.007 25755 4964 1 20 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.398 1.157 25755 4965 1 20 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.244 0.349 25755 4966 1 20 . 1 1 4 4 CYS N N 4 117.049 117.049 118.201 -1.152 25755 4967 1 20 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.883 -0.155 25755 4968 1 20 . 1 1 4 4 CYS CA C 4 57.415 57.415 57.014 0.401 25755 4969 1 20 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.628 12.215 25755 4970 1 20 . 1 1 4 4 CYS H H 4 8.486 8.486 7.986 0.500 25755 4971 1 20 . 1 1 5 5 LYS N N 5 118.790 118.790 121.038 -2.248 25755 4972 1 20 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.793 0.778 25755 4973 1 20 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.787 -0.497 25755 4974 1 20 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.714 -0.108 25755 4975 1 20 . 1 1 5 5 LYS H H 5 8.007 8.007 8.244 -0.237 25755 4976 1 20 . 1 1 6 6 LYS N N 6 121.177 121.177 120.848 0.329 25755 4977 1 20 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.597 0.188 25755 4978 1 20 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.857 -0.315 25755 4979 1 20 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.370 1.532 25755 4980 1 20 . 1 1 6 6 LYS H H 6 9.014 9.014 8.848 0.166 25755 4981 1 20 . 1 1 7 7 VAL N N 7 127.629 127.629 124.441 3.188 25755 4982 1 20 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.004 0.022 25755 4983 1 20 . 1 1 7 7 VAL CA C 7 63.988 63.988 63.174 0.814 25755 4984 1 20 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.068 1.039 25755 4985 1 20 . 1 1 7 7 VAL H H 7 8.837 8.837 8.641 0.196 25755 4986 1 20 . 1 1 8 8 TYR N N 8 130.003 130.003 129.070 0.933 25755 4987 1 20 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.714 -0.255 25755 4988 1 20 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.389 0.331 25755 4989 1 20 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.837 -1.819 25755 4990 1 20 . 1 1 8 8 TYR H H 8 9.251 9.251 8.245 1.006 25755 4991 1 20 . 1 1 9 9 GLU N N 9 130.851 130.851 125.002 5.849 25755 4992 1 20 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.022 0.182 25755 4993 1 20 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.739 -0.222 25755 4994 1 20 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.455 -0.064 25755 4995 1 20 . 1 1 9 9 GLU H H 9 9.072 9.072 8.499 0.573 25755 4996 1 20 . 1 1 10 10 ASN N N 10 116.120 116.120 118.091 -1.971 25755 4997 1 20 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.578 -0.140 25755 4998 1 20 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.564 2.023 25755 4999 1 20 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.460 -0.182 25755 5000 1 20 . 1 1 10 10 ASN H H 10 9.301 9.301 7.753 1.548 25755 5001 1 20 . 1 1 11 11 TYR N N 11 122.436 122.436 119.974 2.462 25755 5002 1 20 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.591 -0.398 25755 5003 1 20 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.321 2.291 25755 5004 1 20 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.820 -2.353 25755 5005 1 20 . 1 1 11 11 TYR H H 11 7.550 7.550 7.448 0.102 25755 5006 1 20 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.571 -0.124 25755 5007 1 20 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.581 -0.083 25755 5008 1 20 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.893 -2.302 25755 5009 1 20 . 1 1 13 13 VAL N N 13 124.506 124.506 120.777 3.729 25755 5010 1 20 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.729 0.107 25755 5011 1 20 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.729 1.032 25755 5012 1 20 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.722 -0.142 25755 5013 1 20 . 1 1 13 13 VAL H H 13 8.169 8.169 8.412 -0.243 25755 5014 1 20 . 1 1 14 14 SER N N 14 116.625 116.625 116.443 0.182 25755 5015 1 20 . 1 1 14 14 SER HA H 14 4.206 4.206 4.212 -0.006 25755 5016 1 20 . 1 1 14 14 SER CA C 14 61.194 61.194 61.703 -0.508 25755 5017 1 20 . 1 1 14 14 SER CB C 14 62.041 62.041 62.526 -0.485 25755 5018 1 20 . 1 1 14 14 SER H H 14 8.396 8.396 8.210 0.186 25755 5019 1 20 . 1 1 15 15 LYS N N 15 120.843 120.843 122.110 -1.267 25755 5020 1 20 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.001 0.199 25755 5021 1 20 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.272 0.351 25755 5022 1 20 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.031 0.155 25755 5023 1 20 . 1 1 15 15 LYS H H 15 7.791 7.791 7.641 0.150 25755 5024 1 20 . 1 1 16 16 CYS N N 16 115.949 115.949 115.510 0.439 25755 5025 1 20 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.565 0.328 25755 5026 1 20 . 1 1 16 16 CYS CA C 16 56.570 56.570 60.800 -4.230 25755 5027 1 20 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.460 14.977 25755 5028 1 20 . 1 1 16 16 CYS H H 16 7.870 7.870 7.508 0.362 25755 5029 1 20 . 1 1 17 17 GLN N N 17 117.241 117.241 117.163 0.078 25755 5030 1 20 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.241 0.033 25755 5031 1 20 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.139 0.798 25755 5032 1 20 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.917 0.270 25755 5033 1 20 . 1 1 17 17 GLN H H 17 7.560 7.560 7.636 -0.076 25755 5034 1 20 . 1 1 18 18 LEU N N 18 120.537 120.537 122.560 -2.023 25755 5035 1 20 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.162 0.278 25755 5036 1 20 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.315 0.134 25755 5037 1 20 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.987 0.850 25755 5038 1 20 . 1 1 18 18 LEU H H 18 7.369 7.369 7.434 -0.065 25755 5039 1 20 . 1 1 19 19 ARG N N 19 121.697 121.697 122.607 -0.910 25755 5040 1 20 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.027 0.272 25755 5041 1 20 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.285 -0.449 25755 5042 1 20 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.180 0.212 25755 5043 1 20 . 1 1 19 19 ARG H H 19 8.447 8.447 7.948 0.499 25755 5044 1 20 . 1 1 20 20 ILE N N 20 116.439 116.439 116.684 -0.245 25755 5045 1 20 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.055 0.079 25755 5046 1 20 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.445 0.052 25755 5047 1 20 . 1 1 20 20 ILE CB C 20 38.164 38.164 38.204 -0.040 25755 5048 1 20 . 1 1 20 20 ILE H H 20 7.758 7.758 7.781 -0.023 25755 5049 1 20 . 1 1 21 21 ALA N N 21 122.642 122.642 122.937 -0.295 25755 5050 1 20 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.596 -0.214 25755 5051 1 20 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.560 0.835 25755 5052 1 20 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.775 0.323 25755 5053 1 20 . 1 1 21 21 ALA H H 21 7.727 7.727 7.217 0.510 25755 5054 1 20 . 1 1 22 22 ASN N N 22 116.616 116.616 121.444 -4.828 25755 5055 1 20 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.945 -0.154 25755 5056 1 20 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.339 0.538 25755 5057 1 20 . 1 1 22 22 ASN CB C 22 37.554 37.554 37.993 -0.439 25755 5058 1 20 . 1 1 22 22 ASN H H 22 8.307 8.307 8.563 -0.256 25755 5059 1 20 . 1 1 23 23 GLN N N 23 124.357 124.357 123.551 0.806 25755 5060 1 20 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.368 -0.350 25755 5061 1 20 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.781 0.867 25755 5062 1 20 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.375 1.024 25755 5063 1 20 . 1 1 23 23 GLN H H 23 8.542 8.542 8.269 0.273 25755 5064 1 20 . 1 1 24 24 CYS N N 24 118.909 118.909 119.660 -0.751 25755 5065 1 20 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.105 0.179 25755 5066 1 20 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.843 -4.438 25755 5067 1 20 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.762 12.014 25755 5068 1 20 . 1 1 24 24 CYS H H 24 8.352 8.352 8.494 -0.142 25755 5069 1 20 . 1 1 25 25 ASN N N 25 118.182 118.182 118.492 -0.310 25755 5070 1 20 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.441 -0.553 25755 5071 1 20 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.394 1.278 25755 5072 1 20 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.479 2.294 25755 5073 1 20 . 1 1 25 25 ASN H H 25 7.504 7.504 8.392 -0.888 25755 5074 1 20 . 1 1 26 26 TYR N N 26 117.354 117.354 119.832 -2.478 25755 5075 1 20 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.221 -0.256 25755 5076 1 20 . 1 1 26 26 TYR CA C 26 62.162 62.162 60.424 1.738 25755 5077 1 20 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.647 -0.017 25755 5078 1 20 . 1 1 26 26 TYR H H 26 7.322 7.322 7.568 -0.246 25755 5079 1 20 . 1 1 27 27 ASP N N 27 119.874 119.874 120.267 -0.393 25755 5080 1 20 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.319 0.336 25755 5081 1 20 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.699 -0.109 25755 5082 1 20 . 1 1 27 27 ASP H H 27 9.218 9.218 8.330 0.888 25755 5083 1 20 . 1 1 28 28 CYS N N 28 119.782 119.782 118.993 0.789 25755 5084 1 20 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.907 0.261 25755 5085 1 20 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.652 -1.738 25755 5086 1 20 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.255 10.690 25755 5087 1 20 . 1 1 28 28 CYS H H 28 9.171 9.171 8.412 0.759 25755 5088 1 20 . 1 1 29 29 LYS N N 29 119.663 119.663 118.802 0.861 25755 5089 1 20 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.908 0.229 25755 5090 1 20 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.166 0.615 25755 5091 1 20 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.842 0.571 25755 5092 1 20 . 1 1 29 29 LYS H H 29 7.546 7.546 7.443 0.103 25755 5093 1 20 . 1 1 30 30 LEU N N 30 119.987 119.987 119.434 0.553 25755 5094 1 20 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.999 0.112 25755 5095 1 20 . 1 1 30 30 LEU CA C 30 57.672 57.672 58.340 -0.668 25755 5096 1 20 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.155 0.224 25755 5097 1 20 . 1 1 30 30 LEU H H 30 8.226 8.226 7.735 0.491 25755 5098 1 20 . 1 1 31 31 ASP N N 31 116.853 116.853 116.295 0.558 25755 5099 1 20 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.640 -0.094 25755 5100 1 20 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.605 0.661 25755 5101 1 20 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.810 -1.333 25755 5102 1 20 . 1 1 31 31 ASP H H 31 9.019 9.019 7.783 1.236 25755 5103 1 20 . 1 1 32 32 LYS N N 32 112.075 112.075 118.795 -6.720 25755 5104 1 20 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.134 0.415 25755 5105 1 20 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.582 -4.117 25755 5106 1 20 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.464 -0.599 25755 5107 1 20 . 1 1 32 32 LYS H H 32 6.639 6.639 8.242 -1.603 25755 5108 1 20 . 1 1 33 33 HIS N N 33 112.955 112.955 113.726 -0.771 25755 5109 1 20 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.222 0.401 25755 5110 1 20 . 1 1 33 33 HIS CA C 33 56.486 56.486 56.334 0.152 25755 5111 1 20 . 1 1 33 33 HIS CB C 33 25.694 25.694 27.790 -2.096 25755 5112 1 20 . 1 1 33 33 HIS H H 33 7.065 7.065 7.994 -0.929 25755 5113 1 20 . 1 1 34 34 ALA N N 34 120.177 120.177 118.860 1.317 25755 5114 1 20 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.656 0.493 25755 5115 1 20 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.395 -1.616 25755 5116 1 20 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.562 -0.444 25755 5117 1 20 . 1 1 34 34 ALA H H 34 7.716 7.716 7.077 0.639 25755 5118 1 20 . 1 1 35 35 ARG N N 35 116.636 116.636 117.736 -1.100 25755 5119 1 20 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.079 0.127 25755 5120 1 20 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.567 -0.491 25755 5121 1 20 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.391 0.326 25755 5122 1 20 . 1 1 35 35 ARG H H 35 8.295 8.295 8.140 0.155 25755 5123 1 20 . 1 1 36 36 SER N N 36 109.273 109.273 111.747 -2.474 25755 5124 1 20 . 1 1 36 36 SER HA H 36 4.646 4.646 4.366 0.280 25755 5125 1 20 . 1 1 36 36 SER CA C 36 57.703 57.703 58.312 -0.609 25755 5126 1 20 . 1 1 36 36 SER CB C 36 65.425 65.425 65.575 -0.150 25755 5127 1 20 . 1 1 36 36 SER H H 36 8.026 8.026 8.253 -0.227 25755 5128 1 20 . 1 1 37 37 GLY N N 37 107.305 107.305 111.289 -3.984 25755 5129 1 20 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.880 2.272 25755 5130 1 20 . 1 1 37 37 GLY H H 37 8.679 8.679 7.729 0.950 25755 5131 1 20 . 1 1 38 38 GLU N N 38 119.065 119.065 121.268 -2.203 25755 5132 1 20 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.779 -0.377 25755 5133 1 20 . 1 1 38 38 GLU CA C 38 55.773 55.773 55.296 0.477 25755 5134 1 20 . 1 1 38 38 GLU CB C 38 32.822 32.822 35.123 -2.301 25755 5135 1 20 . 1 1 38 38 GLU H H 38 8.351 8.351 8.728 -0.377 25755 5136 1 20 . 1 1 39 39 CYS N N 39 121.636 121.636 118.564 3.072 25755 5137 1 20 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.427 0.560 25755 5138 1 20 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.726 -0.998 25755 5139 1 20 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.866 16.153 25755 5140 1 20 . 1 1 39 39 CYS H H 39 8.839 8.839 8.244 0.595 25755 5141 1 20 . 1 1 40 40 PHE N N 40 121.987 121.987 120.128 1.859 25755 5142 1 20 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.832 -0.062 25755 5143 1 20 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.507 0.462 25755 5144 1 20 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.874 0.886 25755 5145 1 20 . 1 1 40 40 PHE H H 40 9.214 9.214 8.883 0.331 25755 5146 1 20 . 1 1 41 41 TYR N N 41 121.905 121.905 118.598 3.307 25755 5147 1 20 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.616 0.344 25755 5148 1 20 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.162 -0.630 25755 5149 1 20 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.287 1.015 25755 5150 1 20 . 1 1 41 41 TYR H H 41 8.557 8.557 8.723 -0.166 25755 5151 1 20 . 1 1 42 42 ASP N N 42 123.133 123.133 121.305 1.828 25755 5152 1 20 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.868 -0.115 25755 5153 1 20 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.978 -0.552 25755 5154 1 20 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.968 -1.348 25755 5155 1 20 . 1 1 42 42 ASP H H 42 8.603 8.603 8.295 0.308 25755 5156 1 20 . 1 1 43 43 GLU N N 43 118.012 118.012 119.790 -1.778 25755 5157 1 20 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.173 0.036 25755 5158 1 20 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.611 0.254 25755 5159 1 20 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.636 -0.399 25755 5160 1 20 . 1 1 43 43 GLU H H 43 9.081 9.081 8.749 0.332 25755 5161 1 20 . 1 1 44 44 LYS N N 44 120.047 120.047 117.598 2.449 25755 5162 1 20 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.424 0.020 25755 5163 1 20 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.546 0.115 25755 5164 1 20 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.623 -0.584 25755 5165 1 20 . 1 1 44 44 LYS H H 44 8.162 8.162 7.910 0.252 25755 5166 1 20 . 1 1 45 45 ARG N N 45 113.453 113.453 116.562 -3.109 25755 5167 1 20 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.123 -0.460 25755 5168 1 20 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.732 1.004 25755 5169 1 20 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.599 -1.209 25755 5170 1 20 . 1 1 45 45 ARG H H 45 8.335 8.335 7.761 0.574 25755 5171 1 20 . 1 1 46 46 ASN N N 46 118.207 118.207 117.269 0.938 25755 5172 1 20 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.947 0.035 25755 5173 1 20 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.914 1.152 25755 5174 1 20 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.025 0.268 25755 5175 1 20 . 1 1 46 46 ASN H H 46 8.745 8.745 8.283 0.462 25755 5176 1 20 . 1 1 47 47 LEU N N 47 125.815 125.815 126.819 -1.004 25755 5177 1 20 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.018 0.262 25755 5178 1 20 . 1 1 47 47 LEU CA C 47 55.290 55.290 54.980 0.310 25755 5179 1 20 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.760 1.546 25755 5180 1 20 . 1 1 47 47 LEU H H 47 8.509 8.509 8.762 -0.253 25755 5181 1 20 . 1 1 48 48 GLN N N 48 120.834 120.834 122.443 -1.609 25755 5182 1 20 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.704 0.032 25755 5183 1 20 . 1 1 48 48 GLN CA C 48 54.105 54.105 53.952 0.153 25755 5184 1 20 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.871 -1.005 25755 5185 1 20 . 1 1 48 48 GLN H H 48 8.589 8.589 9.026 -0.437 25755 5186 1 20 . 1 1 49 49 CYS N N 49 121.829 121.829 122.810 -0.981 25755 5187 1 20 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.675 0.183 25755 5188 1 20 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.303 -3.348 25755 5189 1 20 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.591 12.854 25755 5190 1 20 . 1 1 49 49 CYS H H 49 9.247 9.247 8.947 0.300 25755 5191 1 20 . 1 1 50 50 ILE N N 50 129.010 129.010 130.285 -1.275 25755 5192 1 20 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.424 -0.038 25755 5193 1 20 . 1 1 50 50 ILE CA C 50 60.421 60.421 62.079 -1.658 25755 5194 1 20 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.819 -0.415 25755 5195 1 20 . 1 1 50 50 ILE H H 50 8.787 8.787 7.972 0.815 25755 5196 1 20 . 1 1 51 51 CYS N N 51 126.108 126.108 127.318 -1.210 25755 5197 1 20 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.637 0.700 25755 5198 1 20 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.626 -6.808 25755 5199 1 20 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.483 6.499 25755 5200 1 20 . 1 1 51 51 CYS H H 51 8.556 8.556 9.317 -0.761 25755 5201 1 20 . 1 1 52 52 ASP N N 52 122.342 122.342 120.296 2.046 25755 5202 1 20 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.815 0.698 25755 5203 1 20 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.917 -1.335 25755 5204 1 20 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.882 -0.051 25755 5205 1 20 . 1 1 52 52 ASP H H 52 8.826 8.826 8.501 0.325 25755 5206 1 20 . 1 1 53 53 TYR N N 53 125.370 125.370 124.868 0.502 25755 5207 1 20 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.606 -0.348 25755 5208 1 20 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.033 0.632 25755 5209 1 20 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.777 -0.994 25755 5210 1 20 . 1 1 53 53 TYR H H 53 9.734 9.734 8.747 0.987 25755 5211 1 20 . 1 1 54 54 CYS N N 54 120.418 120.418 122.661 -2.243 25755 5212 1 20 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.595 -0.101 25755 5213 1 20 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.143 -4.000 25755 5214 1 20 . 1 1 54 54 CYS CB C 54 44.382 44.382 29.213 15.168 25755 5215 1 20 . 1 1 54 54 CYS H H 54 9.478 9.478 8.856 0.622 25755 5216 1 20 . 1 1 55 55 GLU N N 55 121.097 121.097 118.877 2.220 25755 5217 1 20 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.110 0.202 25755 5218 1 20 . 1 1 55 55 GLU CA C 55 56.010 56.010 57.386 -1.376 25755 5219 1 20 . 1 1 55 55 GLU CB C 55 31.014 31.014 29.991 1.023 25755 5220 1 20 . 1 1 55 55 GLU H H 55 8.423 8.423 8.433 -0.010 25755 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 51 2.103 0.169 2.117 25755 2 1 1 "Average Difference" HA 55 0.337 -0.106 0.323 25755 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25755 4 1 1 "Average Difference" CA 53 1.952 0.245 1.955 25755 5 1 1 "Average Difference" CB 53 5.091 -1.773 4.818 25755 6 1 1 "Average Difference" HN 51 0.602 -0.181 0.580 25755 7 1 2 "Average Difference" N 51 2.165 0.246 2.173 25755 8 1 2 "Average Difference" HA 55 0.343 -0.106 0.329 25755 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25755 10 1 2 "Average Difference" CA 53 1.997 0.233 2.003 25755 11 1 2 "Average Difference" CB 53 5.149 -1.733 4.894 25755 12 1 2 "Average Difference" HN 51 0.616 -0.224 0.580 25755 13 1 3 "Average Difference" N 51 2.240 0.306 2.241 25755 14 1 3 "Average Difference" HA 55 0.357 -0.113 0.342 25755 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25755 16 1 3 "Average Difference" CA 53 2.022 0.324 2.015 25755 17 1 3 "Average Difference" CB 53 5.142 -1.814 4.858 25755 18 1 3 "Average Difference" HN 51 0.614 -0.191 0.589 25755 19 1 4 "Average Difference" N 51 2.190 0.210 2.201 25755 20 1 4 "Average Difference" HA 55 0.334 -0.096 0.322 25755 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25755 22 1 4 "Average Difference" CA 53 1.978 0.270 1.978 25755 23 1 4 "Average Difference" CB 53 5.118 -1.774 4.847 25755 24 1 4 "Average Difference" HN 51 0.600 -0.179 0.579 25755 25 1 5 "Average Difference" N 51 2.126 0.137 2.143 25755 26 1 5 "Average Difference" HA 55 0.348 -0.104 0.335 25755 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25755 28 1 5 "Average Difference" CA 53 2.000 0.208 2.008 25755 29 1 5 "Average Difference" CB 53 5.170 -1.761 4.908 25755 30 1 5 "Average Difference" HN 51 0.621 -0.185 0.598 25755 31 1 6 "Average Difference" N 51 2.149 0.190 2.162 25755 32 1 6 "Average Difference" HA 55 0.334 -0.104 0.321 25755 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25755 34 1 6 "Average Difference" CA 53 1.971 0.219 1.977 25755 35 1 6 "Average Difference" CB 53 5.109 -1.739 4.850 25755 36 1 6 "Average Difference" HN 51 0.620 -0.227 0.583 25755 37 1 7 "Average Difference" N 51 2.417 0.195 2.433 25755 38 1 7 "Average Difference" HA 55 0.343 -0.107 0.329 25755 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25755 40 1 7 "Average Difference" CA 53 1.994 0.307 1.989 25755 41 1 7 "Average Difference" CB 53 5.150 -1.806 4.869 25755 42 1 7 "Average Difference" HN 51 0.592 -0.193 0.565 25755 43 1 8 "Average Difference" N 51 2.244 0.036 2.266 25755 44 1 8 "Average Difference" HA 55 0.336 -0.092 0.326 25755 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25755 46 1 8 "Average Difference" CA 53 2.063 0.250 2.067 25755 47 1 8 "Average Difference" CB 53 5.181 -1.701 4.941 25755 48 1 8 "Average Difference" HN 51 0.615 -0.163 0.599 25755 49 1 9 "Average Difference" N 51 2.240 0.233 2.250 25755 50 1 9 "Average Difference" HA 55 0.351 -0.115 0.335 25755 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25755 52 1 9 "Average Difference" CA 53 1.994 0.283 1.993 25755 53 1 9 "Average Difference" CB 53 5.169 -1.781 4.899 25755 54 1 9 "Average Difference" HN 51 0.600 -0.177 0.580 25755 55 1 10 "Average Difference" N 51 2.363 0.036 2.386 25755 56 1 10 "Average Difference" HA 55 0.336 -0.074 0.330 25755 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25755 58 1 10 "Average Difference" CA 53 1.902 0.253 1.903 25755 59 1 10 "Average Difference" CB 53 5.149 -1.753 4.887 25755 60 1 10 "Average Difference" HN 51 0.557 -0.128 0.547 25755 61 1 11 "Average Difference" N 51 2.212 0.126 2.230 25755 62 1 11 "Average Difference" HA 55 0.356 -0.094 0.347 25755 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25755 64 1 11 "Average Difference" CA 53 1.960 0.251 1.962 25755 65 1 11 "Average Difference" CB 53 5.125 -1.729 4.871 25755 66 1 11 "Average Difference" HN 51 0.586 -0.161 0.569 25755 67 1 12 "Average Difference" N 51 2.176 0.304 2.176 25755 68 1 12 "Average Difference" HA 55 0.342 -0.106 0.328 25755 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25755 70 1 12 "Average Difference" CA 53 2.003 0.288 2.001 25755 71 1 12 "Average Difference" CB 53 5.174 -1.764 4.911 25755 72 1 12 "Average Difference" HN 51 0.605 -0.179 0.583 25755 73 1 13 "Average Difference" N 51 2.189 0.133 2.207 25755 74 1 13 "Average Difference" HA 55 0.341 -0.117 0.324 25755 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25755 76 1 13 "Average Difference" CA 53 1.970 0.254 1.972 25755 77 1 13 "Average Difference" CB 53 5.152 -1.832 4.861 25755 78 1 13 "Average Difference" HN 51 0.597 -0.133 0.588 25755 79 1 14 "Average Difference" N 51 2.105 0.008 2.126 25755 80 1 14 "Average Difference" HA 55 0.349 -0.106 0.336 25755 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25755 82 1 14 "Average Difference" CA 53 1.975 0.252 1.977 25755 83 1 14 "Average Difference" CB 53 5.123 -1.645 4.898 25755 84 1 14 "Average Difference" HN 51 0.586 -0.195 0.558 25755 85 1 15 "Average Difference" N 51 2.334 0.162 2.351 25755 86 1 15 "Average Difference" HA 55 0.352 -0.105 0.339 25755 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25755 88 1 15 "Average Difference" CA 53 1.890 0.335 1.878 25755 89 1 15 "Average Difference" CB 53 5.160 -1.757 4.898 25755 90 1 15 "Average Difference" HN 51 0.628 -0.164 0.612 25755 91 1 16 "Average Difference" N 51 2.269 0.271 2.276 25755 92 1 16 "Average Difference" HA 55 0.335 -0.080 0.328 25755 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25755 94 1 16 "Average Difference" CA 53 2.004 0.233 2.009 25755 95 1 16 "Average Difference" CB 53 5.156 -1.748 4.897 25755 96 1 16 "Average Difference" HN 51 0.605 -0.162 0.588 25755 97 1 17 "Average Difference" N 51 2.143 0.139 2.160 25755 98 1 17 "Average Difference" HA 55 0.323 -0.091 0.313 25755 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25755 100 1 17 "Average Difference" CA 53 1.975 0.226 1.981 25755 101 1 17 "Average Difference" CB 53 5.093 -1.771 4.820 25755 102 1 17 "Average Difference" HN 51 0.577 -0.146 0.563 25755 103 1 18 "Average Difference" N 51 2.266 0.196 2.280 25755 104 1 18 "Average Difference" HA 55 0.350 -0.105 0.337 25755 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25755 106 1 18 "Average Difference" CA 53 1.997 0.287 1.995 25755 107 1 18 "Average Difference" CB 53 5.106 -1.777 4.833 25755 108 1 18 "Average Difference" HN 51 0.615 -0.212 0.583 25755 109 1 19 "Average Difference" N 51 2.319 0.181 2.335 25755 110 1 19 "Average Difference" HA 55 0.338 -0.107 0.324 25755 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25755 112 1 19 "Average Difference" CA 53 1.939 0.234 1.943 25755 113 1 19 "Average Difference" CB 53 5.147 -1.765 4.881 25755 114 1 19 "Average Difference" HN 51 0.578 -0.167 0.559 25755 115 1 20 "Average Difference" N 51 2.257 0.177 2.273 25755 116 1 20 "Average Difference" HA 55 0.341 -0.101 0.328 25755 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25755 118 1 20 "Average Difference" CA 53 1.903 0.254 1.904 25755 119 1 20 "Average Difference" CB 53 5.104 -1.747 4.841 25755 120 1 20 "Average Difference" HN 51 0.600 -0.201 0.571 25755 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 25755 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.251 4.251 4.627 -0.376 25755 2 1 . 1 1 2 2 ASP CA C 2 59.484 59.484 54.520 4.964 25755 3 1 . 1 1 2 2 ASP CB C 2 39.412 39.412 40.451 -1.039 25755 4 1 . 1 1 3 3 LYS HA H 3 4.345 4.345 4.317 0.028 25755 5 1 . 1 1 3 3 LYS CA C 3 57.556 57.556 56.668 0.888 25755 6 1 . 1 1 3 3 LYS CB C 3 32.593 32.593 32.682 -0.089 25755 7 1 . 1 1 4 4 CYS N N 4 117.049 117.049 118.632 -1.583 25755 8 1 . 1 1 4 4 CYS HA H 4 4.728 4.728 4.880 -0.152 25755 9 1 . 1 1 4 4 CYS CA C 4 57.415 57.415 56.944 0.471 25755 10 1 . 1 1 4 4 CYS CB C 4 41.843 41.843 29.392 12.451 25755 11 1 . 1 1 4 4 CYS H H 4 8.486 8.486 7.991 0.495 25755 12 1 . 1 1 5 5 LYS N N 5 118.790 118.790 121.173 -2.383 25755 13 1 . 1 1 5 5 LYS HA H 5 5.571 5.571 4.862 0.709 25755 14 1 . 1 1 5 5 LYS CA C 5 55.290 55.290 55.708 -0.418 25755 15 1 . 1 1 5 5 LYS CB C 5 34.606 34.606 34.949 -0.343 25755 16 1 . 1 1 5 5 LYS H H 5 8.007 8.007 8.249 -0.242 25755 17 1 . 1 1 6 6 LYS N N 6 121.177 121.177 120.515 0.662 25755 18 1 . 1 1 6 6 LYS HA H 6 4.785 4.785 4.572 0.213 25755 19 1 . 1 1 6 6 LYS CA C 6 55.542 55.542 55.975 -0.433 25755 20 1 . 1 1 6 6 LYS CB C 6 36.902 36.902 35.549 1.353 25755 21 1 . 1 1 6 6 LYS H H 6 9.014 9.014 8.789 0.225 25755 22 1 . 1 1 7 7 VAL N N 7 127.629 127.629 124.539 3.090 25755 23 1 . 1 1 7 7 VAL HA H 7 4.026 4.026 4.076 -0.050 25755 24 1 . 1 1 7 7 VAL CA C 7 63.988 63.988 62.430 1.558 25755 25 1 . 1 1 7 7 VAL CB C 7 33.107 33.107 32.577 0.529 25755 26 1 . 1 1 7 7 VAL H H 7 8.837 8.837 8.606 0.231 25755 27 1 . 1 1 8 8 TYR N N 8 130.003 130.003 129.281 0.722 25755 28 1 . 1 1 8 8 TYR HA H 8 4.459 4.459 4.727 -0.268 25755 29 1 . 1 1 8 8 TYR CA C 8 55.720 55.720 55.479 0.241 25755 30 1 . 1 1 8 8 TYR CB C 8 36.018 36.018 37.850 -1.832 25755 31 1 . 1 1 8 8 TYR H H 8 9.251 9.251 8.297 0.955 25755 32 1 . 1 1 9 9 GLU N N 9 130.851 130.851 124.629 6.222 25755 33 1 . 1 1 9 9 GLU HA H 9 4.204 4.204 4.141 0.063 25755 34 1 . 1 1 9 9 GLU CA C 9 58.517 58.517 58.663 -0.146 25755 35 1 . 1 1 9 9 GLU CB C 9 29.391 29.391 29.545 -0.154 25755 36 1 . 1 1 9 9 GLU H H 9 9.072 9.072 8.437 0.635 25755 37 1 . 1 1 10 10 ASN N N 10 116.120 116.120 117.561 -1.441 25755 38 1 . 1 1 10 10 ASN HA H 10 4.438 4.438 4.676 -0.238 25755 39 1 . 1 1 10 10 ASN CA C 10 54.587 54.587 52.895 1.692 25755 40 1 . 1 1 10 10 ASN CB C 10 37.278 37.278 37.548 -0.270 25755 41 1 . 1 1 10 10 ASN H H 10 9.301 9.301 7.940 1.361 25755 42 1 . 1 1 11 11 TYR N N 11 122.436 122.436 120.706 1.730 25755 43 1 . 1 1 11 11 TYR HA H 11 4.194 4.194 4.583 -0.389 25755 44 1 . 1 1 11 11 TYR CA C 11 57.612 57.612 55.401 2.211 25755 45 1 . 1 1 11 11 TYR CB C 11 39.467 39.467 41.746 -2.279 25755 46 1 . 1 1 11 11 TYR H H 11 7.550 7.550 7.515 0.035 25755 47 1 . 1 1 12 12 PRO HA H 12 4.447 4.447 4.549 -0.102 25755 48 1 . 1 1 12 12 PRO CA C 12 62.498 62.498 62.581 -0.083 25755 49 1 . 1 1 12 12 PRO CB C 12 30.591 30.591 32.682 -2.091 25755 50 1 . 1 1 13 13 VAL N N 13 124.506 124.506 121.865 2.641 25755 51 1 . 1 1 13 13 VAL HA H 13 3.836 3.836 3.802 0.034 25755 52 1 . 1 1 13 13 VAL CA C 13 65.761 65.761 64.755 1.006 25755 53 1 . 1 1 13 13 VAL CB C 13 31.580 31.580 31.563 0.016 25755 54 1 . 1 1 13 13 VAL H H 13 8.169 8.169 8.424 -0.255 25755 55 1 . 1 1 14 14 SER N N 14 116.625 116.625 116.824 -0.199 25755 56 1 . 1 1 14 14 SER HA H 14 4.206 4.206 4.312 -0.106 25755 57 1 . 1 1 14 14 SER CA C 14 61.194 61.194 61.902 -0.708 25755 58 1 . 1 1 14 14 SER CB C 14 62.041 62.041 62.632 -0.591 25755 59 1 . 1 1 14 14 SER H H 14 8.396 8.396 8.234 0.162 25755 60 1 . 1 1 15 15 LYS N N 15 120.843 120.843 121.785 -0.941 25755 61 1 . 1 1 15 15 LYS HA H 15 4.200 4.200 4.020 0.180 25755 62 1 . 1 1 15 15 LYS CA C 15 59.623 59.623 59.213 0.411 25755 63 1 . 1 1 15 15 LYS CB C 15 32.186 32.186 32.096 0.090 25755 64 1 . 1 1 15 15 LYS H H 15 7.791 7.791 7.817 -0.026 25755 65 1 . 1 1 16 16 CYS N N 16 115.949 115.949 116.934 -0.985 25755 66 1 . 1 1 16 16 CYS HA H 16 4.893 4.893 4.506 0.387 25755 67 1 . 1 1 16 16 CYS CA C 16 56.570 56.570 61.017 -4.447 25755 68 1 . 1 1 16 16 CYS CB C 16 41.437 41.437 26.607 14.830 25755 69 1 . 1 1 16 16 CYS H H 16 7.870 7.870 7.558 0.312 25755 70 1 . 1 1 17 17 GLN N N 17 117.241 117.241 117.302 -0.061 25755 71 1 . 1 1 17 17 GLN HA H 17 4.274 4.274 4.137 0.137 25755 72 1 . 1 1 17 17 GLN CA C 17 56.937 56.937 56.905 0.032 25755 73 1 . 1 1 17 17 GLN CB C 17 29.187 29.187 28.743 0.444 25755 74 1 . 1 1 17 17 GLN H H 17 7.560 7.560 7.661 -0.101 25755 75 1 . 1 1 18 18 LEU N N 18 120.537 120.537 121.694 -1.157 25755 76 1 . 1 1 18 18 LEU HA H 18 4.440 4.440 4.158 0.282 25755 77 1 . 1 1 18 18 LEU CA C 18 55.448 55.448 55.165 0.283 25755 78 1 . 1 1 18 18 LEU CB C 18 41.837 41.837 40.939 0.898 25755 79 1 . 1 1 18 18 LEU H H 18 7.369 7.369 7.423 -0.054 25755 80 1 . 1 1 19 19 ARG N N 19 121.697 121.697 122.607 -0.910 25755 81 1 . 1 1 19 19 ARG HA H 19 4.299 4.299 4.021 0.278 25755 82 1 . 1 1 19 19 ARG CA C 19 57.836 57.836 58.667 -0.831 25755 83 1 . 1 1 19 19 ARG CB C 19 30.392 30.392 30.160 0.232 25755 84 1 . 1 1 19 19 ARG H H 19 8.447 8.447 8.007 0.440 25755 85 1 . 1 1 20 20 ILE N N 20 116.439 116.439 116.988 -0.549 25755 86 1 . 1 1 20 20 ILE HA H 20 4.134 4.134 4.057 0.077 25755 87 1 . 1 1 20 20 ILE CA C 20 62.497 62.497 62.346 0.152 25755 88 1 . 1 1 20 20 ILE CB C 20 38.164 38.164 37.973 0.191 25755 89 1 . 1 1 20 20 ILE H H 20 7.758 7.758 7.778 -0.020 25755 90 1 . 1 1 21 21 ALA N N 21 122.642 122.642 122.968 -0.326 25755 91 1 . 1 1 21 21 ALA HA H 21 4.382 4.382 4.547 -0.165 25755 92 1 . 1 1 21 21 ALA CA C 21 52.395 52.395 51.464 0.931 25755 93 1 . 1 1 21 21 ALA CB C 21 20.098 20.098 19.383 0.715 25755 94 1 . 1 1 21 21 ALA H H 21 7.727 7.727 7.419 0.308 25755 95 1 . 1 1 22 22 ASN N N 22 116.616 116.616 121.558 -4.942 25755 96 1 . 1 1 22 22 ASN HA H 22 4.791 4.791 4.827 -0.036 25755 97 1 . 1 1 22 22 ASN CA C 22 52.877 52.877 52.450 0.427 25755 98 1 . 1 1 22 22 ASN CB C 22 37.554 37.554 38.054 -0.500 25755 99 1 . 1 1 22 22 ASN H H 22 8.307 8.307 8.516 -0.209 25755 100 1 . 1 1 23 23 GLN N N 23 124.357 124.357 123.378 0.979 25755 101 1 . 1 1 23 23 GLN HA H 23 4.018 4.018 4.311 -0.293 25755 102 1 . 1 1 23 23 GLN CA C 23 58.648 58.648 57.601 1.047 25755 103 1 . 1 1 23 23 GLN CB C 23 29.399 29.399 28.592 0.807 25755 104 1 . 1 1 23 23 GLN H H 23 8.542 8.542 8.226 0.316 25755 105 1 . 1 1 24 24 CYS N N 24 118.909 118.909 119.229 -0.320 25755 106 1 . 1 1 24 24 CYS HA H 24 4.284 4.284 4.056 0.228 25755 107 1 . 1 1 24 24 CYS CA C 24 58.406 58.406 62.886 -4.480 25755 108 1 . 1 1 24 24 CYS CB C 24 38.776 38.776 26.790 11.986 25755 109 1 . 1 1 24 24 CYS H H 24 8.352 8.352 8.582 -0.230 25755 110 1 . 1 1 25 25 ASN N N 25 118.182 118.182 119.025 -0.843 25755 111 1 . 1 1 25 25 ASN HA H 25 3.888 3.888 4.302 -0.414 25755 112 1 . 1 1 25 25 ASN CA C 25 57.672 57.672 56.604 1.068 25755 113 1 . 1 1 25 25 ASN CB C 25 39.773 39.773 37.395 2.378 25755 114 1 . 1 1 25 25 ASN H H 25 7.504 7.504 8.448 -0.944 25755 115 1 . 1 1 26 26 TYR N N 26 117.354 117.354 119.670 -2.316 25755 116 1 . 1 1 26 26 TYR HA H 26 3.965 3.965 4.187 -0.222 25755 117 1 . 1 1 26 26 TYR CA C 26 62.162 62.162 61.593 0.569 25755 118 1 . 1 1 26 26 TYR CB C 26 38.630 38.630 38.791 -0.161 25755 119 1 . 1 1 26 26 TYR H H 26 7.322 7.322 7.579 -0.257 25755 120 1 . 1 1 27 27 ASP N N 27 119.874 119.874 120.141 -0.267 25755 121 1 . 1 1 27 27 ASP HA H 27 4.655 4.655 4.356 0.299 25755 122 1 . 1 1 27 27 ASP CB C 27 40.590 40.590 40.898 -0.308 25755 123 1 . 1 1 27 27 ASP H H 27 9.218 9.218 8.235 0.983 25755 124 1 . 1 1 28 28 CYS N N 28 119.782 119.782 119.022 0.760 25755 125 1 . 1 1 28 28 CYS HA H 28 4.168 4.168 3.957 0.211 25755 126 1 . 1 1 28 28 CYS CA C 28 60.914 60.914 62.649 -1.735 25755 127 1 . 1 1 28 28 CYS CB C 28 36.945 36.945 26.261 10.684 25755 128 1 . 1 1 28 28 CYS H H 28 9.171 9.171 8.352 0.819 25755 129 1 . 1 1 29 29 LYS N N 29 119.663 119.663 118.861 0.802 25755 130 1 . 1 1 29 29 LYS HA H 29 4.137 4.137 3.920 0.217 25755 131 1 . 1 1 29 29 LYS CA C 29 59.781 59.781 59.038 0.743 25755 132 1 . 1 1 29 29 LYS CB C 29 32.413 32.413 31.797 0.616 25755 133 1 . 1 1 29 29 LYS H H 29 7.546 7.546 7.454 0.092 25755 134 1 . 1 1 30 30 LEU N N 30 119.987 119.987 120.490 -0.503 25755 135 1 . 1 1 30 30 LEU HA H 30 4.111 4.111 3.862 0.249 25755 136 1 . 1 1 30 30 LEU CA C 30 57.672 57.672 57.886 -0.214 25755 137 1 . 1 1 30 30 LEU CB C 30 42.379 42.379 42.057 0.322 25755 138 1 . 1 1 30 30 LEU H H 30 8.226 8.226 7.652 0.574 25755 139 1 . 1 1 31 31 ASP N N 31 116.853 116.853 116.496 0.357 25755 140 1 . 1 1 31 31 ASP HA H 31 4.546 4.546 4.608 -0.062 25755 141 1 . 1 1 31 31 ASP CA C 31 56.266 56.266 55.615 0.651 25755 142 1 . 1 1 31 31 ASP CB C 31 40.478 40.478 41.520 -1.042 25755 143 1 . 1 1 31 31 ASP H H 31 9.019 9.019 7.840 1.179 25755 144 1 . 1 1 32 32 LYS N N 32 112.075 112.075 118.506 -6.431 25755 145 1 . 1 1 32 32 LYS HA H 32 4.549 4.549 4.152 0.397 25755 146 1 . 1 1 32 32 LYS CA C 32 53.465 53.465 57.712 -4.247 25755 147 1 . 1 1 32 32 LYS CB C 32 31.865 31.865 32.607 -0.742 25755 148 1 . 1 1 32 32 LYS H H 32 6.639 6.639 8.280 -1.641 25755 149 1 . 1 1 33 33 HIS N N 33 112.955 112.955 114.477 -1.522 25755 150 1 . 1 1 33 33 HIS HA H 33 4.623 4.623 4.178 0.445 25755 151 1 . 1 1 33 33 HIS CA C 33 56.486 56.486 55.920 0.566 25755 152 1 . 1 1 33 33 HIS CB C 33 25.694 25.694 28.076 -2.382 25755 153 1 . 1 1 33 33 HIS H H 33 7.065 7.065 8.070 -1.005 25755 154 1 . 1 1 34 34 ALA N N 34 120.177 120.177 119.316 0.861 25755 155 1 . 1 1 34 34 ALA HA H 34 4.149 4.149 3.730 0.419 25755 156 1 . 1 1 34 34 ALA CA C 34 50.779 50.779 52.407 -1.628 25755 157 1 . 1 1 34 34 ALA CB C 34 19.118 19.118 19.596 -0.478 25755 158 1 . 1 1 34 34 ALA H H 34 7.716 7.716 7.083 0.633 25755 159 1 . 1 1 35 35 ARG N N 35 116.636 116.636 117.343 -0.708 25755 160 1 . 1 1 35 35 ARG HA H 35 4.206 4.206 4.114 0.092 25755 161 1 . 1 1 35 35 ARG CA C 35 58.076 58.076 58.933 -0.857 25755 162 1 . 1 1 35 35 ARG CB C 35 30.717 30.717 30.540 0.177 25755 163 1 . 1 1 35 35 ARG H H 35 8.295 8.295 8.106 0.189 25755 164 1 . 1 1 36 36 SER N N 36 109.273 109.273 111.521 -2.248 25755 165 1 . 1 1 36 36 SER HA H 36 4.646 4.646 4.454 0.192 25755 166 1 . 1 1 36 36 SER CA C 36 57.703 57.703 58.135 -0.432 25755 167 1 . 1 1 36 36 SER CB C 36 65.425 65.425 65.374 0.051 25755 168 1 . 1 1 36 36 SER H H 36 8.026 8.026 8.165 -0.139 25755 169 1 . 1 1 37 37 GLY N N 37 107.305 107.305 110.718 -3.413 25755 170 1 . 1 1 37 37 GLY CA C 37 47.152 47.152 44.934 2.218 25755 171 1 . 1 1 37 37 GLY H H 37 8.679 8.679 7.976 0.703 25755 172 1 . 1 1 38 38 GLU N N 38 119.065 119.065 122.182 -3.117 25755 173 1 . 1 1 38 38 GLU HA H 38 4.402 4.402 4.587 -0.185 25755 174 1 . 1 1 38 38 GLU CA C 38 55.773 55.773 54.891 0.882 25755 175 1 . 1 1 38 38 GLU CB C 38 32.822 32.822 34.956 -2.134 25755 176 1 . 1 1 38 38 GLU H H 38 8.351 8.351 8.822 -0.471 25755 177 1 . 1 1 39 39 CYS N N 39 121.636 121.636 118.392 3.244 25755 178 1 . 1 1 39 39 CYS HA H 39 5.987 5.987 5.341 0.646 25755 179 1 . 1 1 39 39 CYS CA C 39 56.728 56.728 57.693 -0.965 25755 180 1 . 1 1 39 39 CYS CB C 39 45.019 45.019 28.532 16.487 25755 181 1 . 1 1 39 39 CYS H H 39 8.839 8.839 8.278 0.561 25755 182 1 . 1 1 40 40 PHE N N 40 121.987 121.987 120.329 1.658 25755 183 1 . 1 1 40 40 PHE HA H 40 4.770 4.770 4.811 -0.041 25755 184 1 . 1 1 40 40 PHE CA C 40 56.969 56.969 56.398 0.571 25755 185 1 . 1 1 40 40 PHE CB C 40 43.760 43.760 42.892 0.868 25755 186 1 . 1 1 40 40 PHE H H 40 9.214 9.214 8.832 0.382 25755 187 1 . 1 1 41 41 TYR N N 41 121.905 121.905 119.344 2.561 25755 188 1 . 1 1 41 41 TYR HA H 41 4.960 4.960 4.663 0.297 25755 189 1 . 1 1 41 41 TYR CA C 41 58.532 58.532 59.014 -0.482 25755 190 1 . 1 1 41 41 TYR CB C 41 40.302 40.302 39.223 1.079 25755 191 1 . 1 1 41 41 TYR H H 41 8.557 8.557 8.723 -0.166 25755 192 1 . 1 1 42 42 ASP N N 42 123.133 123.133 121.145 1.988 25755 193 1 . 1 1 42 42 ASP HA H 42 4.753 4.753 4.833 -0.080 25755 194 1 . 1 1 42 42 ASP CA C 42 52.426 52.426 52.715 -0.289 25755 195 1 . 1 1 42 42 ASP CB C 42 41.620 41.620 42.637 -1.017 25755 196 1 . 1 1 42 42 ASP H H 42 8.603 8.603 8.291 0.312 25755 197 1 . 1 1 43 43 GLU N N 43 118.012 118.012 118.983 -0.971 25755 198 1 . 1 1 43 43 GLU HA H 43 4.209 4.209 4.132 0.077 25755 199 1 . 1 1 43 43 GLU CA C 43 58.865 58.865 58.845 0.020 25755 200 1 . 1 1 43 43 GLU CB C 43 29.237 29.237 29.545 -0.307 25755 201 1 . 1 1 43 43 GLU H H 43 9.081 9.081 8.724 0.357 25755 202 1 . 1 1 44 44 LYS N N 44 120.047 120.047 117.272 2.775 25755 203 1 . 1 1 44 44 LYS HA H 44 4.444 4.444 4.388 0.056 25755 204 1 . 1 1 44 44 LYS CA C 44 55.661 55.661 55.490 0.171 25755 205 1 . 1 1 44 44 LYS CB C 44 32.039 32.039 32.412 -0.373 25755 206 1 . 1 1 44 44 LYS H H 44 8.162 8.162 8.064 0.098 25755 207 1 . 1 1 45 45 ARG N N 45 113.453 113.453 115.846 -2.393 25755 208 1 . 1 1 45 45 ARG HA H 45 3.663 3.663 4.089 -0.426 25755 209 1 . 1 1 45 45 ARG CA C 45 57.736 57.736 56.852 0.884 25755 210 1 . 1 1 45 45 ARG CB C 45 26.390 26.390 27.250 -0.860 25755 211 1 . 1 1 45 45 ARG H H 45 8.335 8.335 7.879 0.456 25755 212 1 . 1 1 46 46 ASN N N 46 118.207 118.207 117.118 1.089 25755 213 1 . 1 1 46 46 ASN HA H 46 4.982 4.982 4.976 0.006 25755 214 1 . 1 1 46 46 ASN CA C 46 53.066 53.066 51.934 1.132 25755 215 1 . 1 1 46 46 ASN CB C 46 39.293 39.293 39.299 -0.006 25755 216 1 . 1 1 46 46 ASN H H 46 8.745 8.745 8.541 0.204 25755 217 1 . 1 1 47 47 LEU N N 47 125.815 125.815 126.881 -1.066 25755 218 1 . 1 1 47 47 LEU HA H 47 4.279 4.279 4.038 0.241 25755 219 1 . 1 1 47 47 LEU CA C 47 55.290 55.290 55.084 0.206 25755 220 1 . 1 1 47 47 LEU CB C 47 43.306 43.306 41.542 1.764 25755 221 1 . 1 1 47 47 LEU H H 47 8.509 8.509 8.817 -0.308 25755 222 1 . 1 1 48 48 GLN N N 48 120.834 120.834 122.266 -1.432 25755 223 1 . 1 1 48 48 GLN HA H 48 4.736 4.736 4.682 0.054 25755 224 1 . 1 1 48 48 GLN CA C 48 54.105 54.105 54.012 0.093 25755 225 1 . 1 1 48 48 GLN CB C 48 32.866 32.866 33.508 -0.642 25755 226 1 . 1 1 48 48 GLN H H 48 8.589 8.589 8.935 -0.346 25755 227 1 . 1 1 49 49 CYS N N 49 121.829 121.829 122.972 -1.143 25755 228 1 . 1 1 49 49 CYS HA H 49 4.858 4.858 4.562 0.296 25755 229 1 . 1 1 49 49 CYS CA C 49 54.955 54.955 58.928 -3.973 25755 230 1 . 1 1 49 49 CYS CB C 49 38.445 38.445 25.573 12.872 25755 231 1 . 1 1 49 49 CYS H H 49 9.247 9.247 8.990 0.257 25755 232 1 . 1 1 50 50 ILE N N 50 129.010 129.010 129.860 -0.850 25755 233 1 . 1 1 50 50 ILE HA H 50 4.386 4.386 4.453 -0.067 25755 234 1 . 1 1 50 50 ILE CA C 50 60.421 60.421 61.872 -1.451 25755 235 1 . 1 1 50 50 ILE CB C 50 38.404 38.404 38.979 -0.575 25755 236 1 . 1 1 50 50 ILE H H 50 8.787 8.787 8.099 0.688 25755 237 1 . 1 1 51 51 CYS N N 51 126.108 126.108 127.406 -1.298 25755 238 1 . 1 1 51 51 CYS HA H 51 5.337 5.337 4.649 0.688 25755 239 1 . 1 1 51 51 CYS CA C 51 51.818 51.818 58.465 -6.647 25755 240 1 . 1 1 51 51 CYS CB C 51 35.982 35.982 29.635 6.347 25755 241 1 . 1 1 51 51 CYS H H 51 8.556 8.556 9.287 -0.731 25755 242 1 . 1 1 52 52 ASP N N 52 122.342 122.342 120.029 2.313 25755 243 1 . 1 1 52 52 ASP HA H 52 5.513 5.513 4.881 0.632 25755 244 1 . 1 1 52 52 ASP CA C 52 52.583 52.583 53.573 -0.991 25755 245 1 . 1 1 52 52 ASP CB C 52 42.831 42.831 42.356 0.475 25755 246 1 . 1 1 52 52 ASP H H 52 8.826 8.826 8.514 0.312 25755 247 1 . 1 1 53 53 TYR N N 53 125.370 125.370 123.265 2.106 25755 248 1 . 1 1 53 53 TYR HA H 53 4.258 4.258 4.624 -0.366 25755 249 1 . 1 1 53 53 TYR CA C 53 59.665 59.665 59.000 0.665 25755 250 1 . 1 1 53 53 TYR CB C 53 38.783 38.783 39.343 -0.560 25755 251 1 . 1 1 53 53 TYR H H 53 9.734 9.734 8.678 1.056 25755 252 1 . 1 1 54 54 CYS N N 54 120.418 120.418 121.258 -0.840 25755 253 1 . 1 1 54 54 CYS HA H 54 4.494 4.494 4.466 0.028 25755 254 1 . 1 1 54 54 CYS CA C 54 55.143 55.143 59.636 -4.493 25755 255 1 . 1 1 54 54 CYS CB C 54 44.382 44.382 28.980 15.402 25755 256 1 . 1 1 54 54 CYS H H 54 9.478 9.478 8.889 0.589 25755 257 1 . 1 1 55 55 GLU N N 55 121.097 121.097 119.317 1.780 25755 258 1 . 1 1 55 55 GLU HA H 55 4.312 4.312 4.404 -0.092 25755 259 1 . 1 1 55 55 GLU CA C 55 56.010 56.010 56.608 -0.598 25755 260 1 . 1 1 55 55 GLU CB C 55 31.014 31.014 31.097 -0.083 25755 261 1 . 1 1 55 55 GLU H H 55 8.423 8.423 8.102 0.321 25755 stop_ save_